USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 95 GLN : amide:sc= -1.61 X(o=-9.4,f=-9.1) USER MOD Set 1.2: A 96 GLN : amide:sc= -7.79! C(o=-9.4!,f=-11!) USER MOD Set 2.1: A 82 THR OG1 : rot 120:sc= -1.45! USER MOD Set 2.2: A 104 LYS NZ :NH3+ -142:sc= 0.839 (180deg=-0.316) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.105 (180deg=-0.602) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.831 (180deg=0.53) USER MOD Single : A 2 GLN : amide:sc= 0.856 K(o=0.86,f=-0.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0.52 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 129:sc= -3.09! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 82:sc= -4.64! USER MOD Single : A 35 ASN :FLIP amide:sc= -6! C(o=-7.4!,f=-6!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.107 F(o=-0.97,f=-0.11) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -145:sc= -0.429 (180deg=-2.16!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.32 F(o=-2.7!,f=-1.3) USER MOD Single : A 73 HIS : no HE2:sc= -23.5! C(o=-23!,f=-28!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -179:sc= -7.22! (180deg=-7.27!) USER MOD Single : A 84 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -48:sc= 1.22 USER MOD Single : A 94 TYR OH : rot 37:sc= 0.168 USER MOD Single : A 101 TYR OH : rot -151:sc= -2.26! USER MOD Single : A 120 SER OG : rot -53:sc= 0.29 USER MOD Single : A 121 HIS : no HE2:sc= 0.551 K(o=0.55,f=-1.7!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.228 -16.683 -3.326 1.00 0.00 N ATOM 2 CA MET A 1 13.938 -17.187 -2.778 1.00 0.00 C ATOM 3 C MET A 1 12.752 -16.421 -3.358 1.00 0.00 C ATOM 4 O MET A 1 11.996 -16.950 -4.172 1.00 0.00 O ATOM 5 CB MET A 1 13.963 -17.046 -1.254 1.00 0.00 C ATOM 6 CG MET A 1 14.686 -18.184 -0.552 1.00 0.00 C ATOM 7 SD MET A 1 16.480 -18.064 -0.702 1.00 0.00 S ATOM 8 CE MET A 1 16.808 -16.628 0.318 1.00 0.00 C ATOM 0 H1 MET A 1 16.004 -16.947 -2.686 1.00 0.00 H new ATOM 0 H2 MET A 1 15.394 -17.102 -4.263 1.00 0.00 H new ATOM 0 H3 MET A 1 15.188 -15.647 -3.412 1.00 0.00 H new ATOM 0 HA MET A 1 13.820 -18.234 -3.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.444 -16.104 -0.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.939 -16.994 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.413 -18.187 0.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.353 -19.134 -0.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.851 -16.637 0.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.609 -15.722 -0.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.163 -16.651 1.196 1.00 0.00 H new ATOM 20 N GLN A 2 12.596 -15.172 -2.930 1.00 0.00 N ATOM 21 CA GLN A 2 11.502 -14.329 -3.404 1.00 0.00 C ATOM 22 C GLN A 2 12.028 -13.201 -4.287 1.00 0.00 C ATOM 23 O GLN A 2 13.184 -12.797 -4.171 1.00 0.00 O ATOM 24 CB GLN A 2 10.729 -13.747 -2.216 1.00 0.00 C ATOM 25 CG GLN A 2 9.267 -14.157 -2.185 1.00 0.00 C ATOM 26 CD GLN A 2 8.646 -14.012 -0.810 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.015 -14.718 0.128 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.696 -13.093 -0.686 1.00 0.00 N ATOM 0 H GLN A 2 13.213 -14.720 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 2 10.830 -14.947 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.207 -14.066 -1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.792 -12.659 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.709 -13.549 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.178 -15.193 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.422 -12.530 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.240 -12.949 0.215 1.00 0.00 H new ATOM 37 N ARG A 3 11.172 -12.696 -5.168 1.00 0.00 N ATOM 38 CA ARG A 3 11.551 -11.616 -6.066 1.00 0.00 C ATOM 39 C ARG A 3 11.390 -10.263 -5.384 1.00 0.00 C ATOM 40 O ARG A 3 12.154 -9.332 -5.633 1.00 0.00 O ATOM 41 CB ARG A 3 10.719 -11.668 -7.351 1.00 0.00 C ATOM 42 CG ARG A 3 9.223 -11.777 -7.107 1.00 0.00 C ATOM 43 CD ARG A 3 8.749 -13.221 -7.166 1.00 0.00 C ATOM 44 NE ARG A 3 7.538 -13.430 -6.374 1.00 0.00 N ATOM 45 CZ ARG A 3 7.310 -14.506 -5.619 1.00 0.00 C ATOM 46 NH1 ARG A 3 8.203 -15.487 -5.549 1.00 0.00 N ATOM 47 NH2 ARG A 3 6.180 -14.602 -4.932 1.00 0.00 N ATOM 0 H ARG A 3 10.211 -13.019 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 3 12.601 -11.745 -6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.918 -10.772 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.043 -12.520 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.981 -11.354 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.689 -11.187 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.557 -13.498 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.539 -13.878 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 3 6.820 -12.706 -6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.074 -15.422 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.018 -16.305 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.488 -13.854 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.003 -15.423 -4.354 1.00 0.00 H new ATOM 61 N GLY A 4 10.390 -10.171 -4.518 1.00 0.00 N ATOM 62 CA GLY A 4 10.137 -8.937 -3.797 1.00 0.00 C ATOM 63 C GLY A 4 9.395 -7.918 -4.638 1.00 0.00 C ATOM 64 O GLY A 4 10.007 -7.162 -5.393 1.00 0.00 O ATOM 0 H GLY A 4 9.746 -10.932 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.557 -9.156 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.085 -8.511 -3.467 1.00 0.00 H new ATOM 68 N ILE A 5 8.072 -7.896 -4.511 1.00 0.00 N ATOM 69 CA ILE A 5 7.250 -6.964 -5.270 1.00 0.00 C ATOM 70 C ILE A 5 6.565 -5.955 -4.352 1.00 0.00 C ATOM 71 O ILE A 5 5.693 -6.311 -3.558 1.00 0.00 O ATOM 72 CB ILE A 5 6.176 -7.703 -6.095 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.742 -8.991 -6.710 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.627 -6.791 -7.182 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.150 -8.853 -7.247 1.00 0.00 C ATOM 0 H ILE A 5 7.548 -8.513 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 5 7.920 -6.435 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 5 5.363 -7.980 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.728 -9.778 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.086 -9.313 -7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.870 -7.325 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.180 -5.908 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.437 -6.486 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.476 -9.806 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.169 -8.091 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.821 -8.562 -6.439 1.00 0.00 H new ATOM 87 N VAL A 6 6.969 -4.695 -4.466 1.00 0.00 N ATOM 88 CA VAL A 6 6.404 -3.627 -3.649 1.00 0.00 C ATOM 89 C VAL A 6 5.618 -2.631 -4.502 1.00 0.00 C ATOM 90 O VAL A 6 6.144 -2.081 -5.467 1.00 0.00 O ATOM 91 CB VAL A 6 7.509 -2.874 -2.884 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.504 -2.257 -3.856 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.909 -1.812 -1.973 1.00 0.00 C ATOM 0 H VAL A 6 7.689 -4.387 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 6 5.726 -4.095 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 6 8.042 -3.590 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.278 -1.729 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.962 -3.043 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.986 -1.556 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.708 -1.293 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.346 -1.096 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.243 -2.285 -1.252 1.00 0.00 H new ATOM 103 N TRP A 7 4.359 -2.399 -4.141 1.00 0.00 N ATOM 104 CA TRP A 7 3.512 -1.465 -4.878 1.00 0.00 C ATOM 105 C TRP A 7 3.131 -0.270 -4.003 1.00 0.00 C ATOM 106 O TRP A 7 2.857 -0.426 -2.814 1.00 0.00 O ATOM 107 CB TRP A 7 2.264 -2.187 -5.394 1.00 0.00 C ATOM 108 CG TRP A 7 2.536 -3.018 -6.615 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.756 -3.284 -7.169 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.571 -3.691 -7.432 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.608 -4.066 -8.285 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.277 -4.331 -8.467 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.180 -3.812 -7.392 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.640 -5.076 -9.453 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.451 -4.556 -8.371 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.280 -5.178 -9.390 1.00 0.00 C ATOM 0 H TRP A 7 3.903 -2.844 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 7 4.071 -1.084 -5.733 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.868 -2.827 -4.605 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.494 -1.451 -5.625 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.700 -2.929 -6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.366 -4.397 -8.882 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.392 -3.333 -6.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.201 -5.557 -10.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.526 -4.659 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.243 -5.750 -10.142 1.00 0.00 H new ATOM 127 N VAL A 8 3.144 0.929 -4.591 1.00 0.00 N ATOM 128 CA VAL A 8 2.825 2.150 -3.847 1.00 0.00 C ATOM 129 C VAL A 8 1.828 3.036 -4.591 1.00 0.00 C ATOM 130 O VAL A 8 1.933 3.231 -5.797 1.00 0.00 O ATOM 131 CB VAL A 8 4.092 3.000 -3.572 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.021 3.653 -2.197 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.365 2.173 -3.717 1.00 0.00 C ATOM 0 H VAL A 8 3.371 1.080 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 8 2.386 1.811 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 8 4.127 3.789 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.921 4.244 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.147 4.302 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.944 2.881 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.232 2.802 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.345 1.346 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.429 1.779 -4.731 1.00 0.00 H new ATOM 143 N VAL A 9 0.875 3.590 -3.853 1.00 0.00 N ATOM 144 CA VAL A 9 -0.123 4.484 -4.439 1.00 0.00 C ATOM 145 C VAL A 9 -0.196 5.798 -3.658 1.00 0.00 C ATOM 146 O VAL A 9 -0.706 5.833 -2.541 1.00 0.00 O ATOM 147 CB VAL A 9 -1.532 3.845 -4.488 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.210 4.153 -5.816 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.449 2.349 -4.260 1.00 0.00 C ATOM 0 H VAL A 9 0.769 3.439 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 9 0.198 4.677 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.134 4.276 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.200 3.696 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.306 5.232 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.610 3.751 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.450 1.919 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.830 1.897 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.007 2.154 -3.283 1.00 0.00 H new ATOM 159 N ASP A 10 0.326 6.871 -4.258 1.00 0.00 N ATOM 160 CA ASP A 10 0.325 8.203 -3.638 1.00 0.00 C ATOM 161 C ASP A 10 1.260 9.139 -4.397 1.00 0.00 C ATOM 162 O ASP A 10 2.467 8.912 -4.450 1.00 0.00 O ATOM 163 CB ASP A 10 0.730 8.146 -2.154 1.00 0.00 C ATOM 164 CG ASP A 10 0.702 9.514 -1.478 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.788 10.532 -2.196 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.589 9.567 -0.227 1.00 0.00 O ATOM 0 H ASP A 10 0.759 6.844 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.694 8.586 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.058 7.471 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.733 7.726 -2.072 1.00 0.00 H new ATOM 171 N ASP A 11 0.694 10.186 -4.987 1.00 0.00 N ATOM 172 CA ASP A 11 1.469 11.167 -5.750 1.00 0.00 C ATOM 173 C ASP A 11 1.972 10.580 -7.068 1.00 0.00 C ATOM 174 O ASP A 11 1.945 11.247 -8.102 1.00 0.00 O ATOM 175 CB ASP A 11 2.648 11.680 -4.921 1.00 0.00 C ATOM 176 CG ASP A 11 2.772 13.190 -4.962 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.968 13.870 -4.289 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.675 13.693 -5.663 1.00 0.00 O ATOM 0 H ASP A 11 -0.307 10.381 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 11 0.807 12.001 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.529 11.356 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.570 11.233 -5.291 1.00 0.00 H new ATOM 183 N ASP A 12 2.432 9.331 -7.022 1.00 0.00 N ATOM 184 CA ASP A 12 2.943 8.644 -8.202 1.00 0.00 C ATOM 185 C ASP A 12 4.331 9.170 -8.585 1.00 0.00 C ATOM 186 O ASP A 12 5.312 8.862 -7.914 1.00 0.00 O ATOM 187 CB ASP A 12 1.952 8.767 -9.368 1.00 0.00 C ATOM 188 CG ASP A 12 2.391 7.983 -10.589 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.519 6.745 -10.485 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.605 8.606 -11.650 1.00 0.00 O ATOM 0 H ASP A 12 2.460 8.771 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 12 3.050 7.585 -7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.972 8.414 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.840 9.818 -9.636 1.00 0.00 H new ATOM 195 N SER A 13 4.409 9.957 -9.665 1.00 0.00 N ATOM 196 CA SER A 13 5.677 10.520 -10.151 1.00 0.00 C ATOM 197 C SER A 13 6.753 10.623 -9.067 1.00 0.00 C ATOM 198 O SER A 13 7.610 9.747 -8.941 1.00 0.00 O ATOM 199 CB SER A 13 5.429 11.899 -10.766 1.00 0.00 C ATOM 200 OG SER A 13 4.768 12.755 -9.850 1.00 0.00 O ATOM 0 H SER A 13 3.599 10.221 -10.226 1.00 0.00 H new ATOM 0 HA SER A 13 6.057 9.829 -10.903 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.378 12.344 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.828 11.795 -11.670 1.00 0.00 H new ATOM 0 HG SER A 13 4.623 13.630 -10.266 1.00 0.00 H new ATOM 206 N SER A 14 6.711 11.706 -8.310 1.00 0.00 N ATOM 207 CA SER A 14 7.689 11.957 -7.253 1.00 0.00 C ATOM 208 C SER A 14 7.808 10.792 -6.270 1.00 0.00 C ATOM 209 O SER A 14 8.914 10.398 -5.901 1.00 0.00 O ATOM 210 CB SER A 14 7.324 13.234 -6.495 1.00 0.00 C ATOM 211 OG SER A 14 7.877 14.377 -7.126 1.00 0.00 O ATOM 0 H SER A 14 6.004 12.435 -8.406 1.00 0.00 H new ATOM 0 HA SER A 14 8.658 12.072 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.240 13.332 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.688 13.169 -5.470 1.00 0.00 H new ATOM 0 HG SER A 14 7.628 15.181 -6.623 1.00 0.00 H new ATOM 217 N ILE A 15 6.675 10.256 -5.833 1.00 0.00 N ATOM 218 CA ILE A 15 6.677 9.156 -4.875 1.00 0.00 C ATOM 219 C ILE A 15 7.238 7.870 -5.489 1.00 0.00 C ATOM 220 O ILE A 15 7.670 6.966 -4.774 1.00 0.00 O ATOM 221 CB ILE A 15 5.258 8.921 -4.295 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.829 10.144 -3.479 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.216 7.663 -3.429 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.607 10.320 -2.192 1.00 0.00 C ATOM 0 H ILE A 15 5.747 10.563 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 15 7.337 9.440 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 15 4.565 8.776 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.949 11.038 -4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.768 10.059 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.208 7.525 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.493 6.797 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.917 7.768 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.248 11.206 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.468 9.443 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.666 10.438 -2.420 1.00 0.00 H new ATOM 236 N ARG A 16 7.234 7.795 -6.815 1.00 0.00 N ATOM 237 CA ARG A 16 7.743 6.622 -7.520 1.00 0.00 C ATOM 238 C ARG A 16 9.268 6.627 -7.596 1.00 0.00 C ATOM 239 O ARG A 16 9.924 5.661 -7.203 1.00 0.00 O ATOM 240 CB ARG A 16 7.170 6.572 -8.936 1.00 0.00 C ATOM 241 CG ARG A 16 7.382 5.236 -9.636 1.00 0.00 C ATOM 242 CD ARG A 16 7.094 5.334 -11.127 1.00 0.00 C ATOM 243 NE ARG A 16 8.257 4.973 -11.935 1.00 0.00 N ATOM 244 CZ ARG A 16 8.304 5.088 -13.259 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.253 5.546 -13.930 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.402 4.743 -13.916 1.00 0.00 N ATOM 0 H ARG A 16 6.884 8.533 -7.425 1.00 0.00 H new ATOM 0 HA ARG A 16 7.430 5.742 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.102 6.784 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.629 7.361 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.409 4.904 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.734 4.483 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.260 4.679 -11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.785 6.351 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 16 9.081 4.612 -11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.405 5.811 -13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.294 5.632 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.211 4.389 -13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.438 4.831 -14.932 1.00 0.00 H new ATOM 260 N TRP A 17 9.820 7.712 -8.127 1.00 0.00 N ATOM 261 CA TRP A 17 11.266 7.845 -8.287 1.00 0.00 C ATOM 262 C TRP A 17 12.024 7.579 -6.989 1.00 0.00 C ATOM 263 O TRP A 17 13.066 6.924 -6.997 1.00 0.00 O ATOM 264 CB TRP A 17 11.614 9.239 -8.808 1.00 0.00 C ATOM 265 CG TRP A 17 13.072 9.404 -9.109 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.743 8.921 -10.196 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.039 10.094 -8.312 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.069 9.271 -10.123 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.276 9.991 -8.974 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.979 10.791 -7.101 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.443 10.557 -8.467 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.137 11.353 -6.597 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.355 11.232 -7.279 1.00 0.00 C ATOM 0 H TRP A 17 9.286 8.517 -8.456 1.00 0.00 H new ATOM 0 HA TRP A 17 11.576 7.090 -9.009 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.037 9.438 -9.711 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.315 9.982 -8.069 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.297 8.348 -10.995 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.784 9.034 -10.811 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.044 10.888 -6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.383 10.467 -8.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.102 11.894 -5.663 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.243 11.681 -6.859 1.00 0.00 H new ATOM 284 N VAL A 18 11.519 8.105 -5.881 1.00 0.00 N ATOM 285 CA VAL A 18 12.183 7.929 -4.595 1.00 0.00 C ATOM 286 C VAL A 18 12.062 6.501 -4.084 1.00 0.00 C ATOM 287 O VAL A 18 13.050 5.882 -3.691 1.00 0.00 O ATOM 288 CB VAL A 18 11.634 8.889 -3.513 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.697 9.155 -2.458 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.150 10.199 -4.121 1.00 0.00 C ATOM 0 H VAL A 18 10.659 8.653 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 18 13.232 8.162 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 18 10.778 8.407 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.298 9.832 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.986 8.215 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.570 9.609 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.771 10.848 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.978 10.692 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.354 9.996 -4.837 1.00 0.00 H new ATOM 300 N LEU A 19 10.840 6.001 -4.063 1.00 0.00 N ATOM 301 CA LEU A 19 10.568 4.656 -3.565 1.00 0.00 C ATOM 302 C LEU A 19 11.089 3.572 -4.501 1.00 0.00 C ATOM 303 O LEU A 19 11.414 2.474 -4.059 1.00 0.00 O ATOM 304 CB LEU A 19 9.064 4.465 -3.330 1.00 0.00 C ATOM 305 CG LEU A 19 8.550 4.968 -1.982 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.255 4.255 -0.839 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.731 6.475 -1.866 1.00 0.00 C ATOM 0 H LEU A 19 10.014 6.505 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 19 11.101 4.555 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.520 4.978 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.830 3.404 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 19 7.485 4.746 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.875 4.628 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.069 3.183 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.327 4.442 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.359 6.813 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.789 6.722 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.175 6.971 -2.662 1.00 0.00 H new ATOM 319 N GLU A 20 11.155 3.870 -5.790 1.00 0.00 N ATOM 320 CA GLU A 20 11.624 2.890 -6.763 1.00 0.00 C ATOM 321 C GLU A 20 13.103 2.567 -6.596 1.00 0.00 C ATOM 322 O GLU A 20 13.473 1.413 -6.398 1.00 0.00 O ATOM 323 CB GLU A 20 11.336 3.342 -8.201 1.00 0.00 C ATOM 324 CG GLU A 20 12.145 4.532 -8.679 1.00 0.00 C ATOM 325 CD GLU A 20 11.730 4.985 -10.064 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.557 4.766 -10.432 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.578 5.558 -10.781 1.00 0.00 O ATOM 0 H GLU A 20 10.893 4.773 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 20 11.064 1.975 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.522 2.504 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.277 3.587 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.024 5.357 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.203 4.271 -8.685 1.00 0.00 H new ATOM 334 N ARG A 21 13.941 3.584 -6.705 1.00 0.00 N ATOM 335 CA ARG A 21 15.389 3.403 -6.599 1.00 0.00 C ATOM 336 C ARG A 21 15.820 2.895 -5.227 1.00 0.00 C ATOM 337 O ARG A 21 16.468 1.855 -5.120 1.00 0.00 O ATOM 338 CB ARG A 21 16.110 4.712 -6.914 1.00 0.00 C ATOM 339 CG ARG A 21 15.935 5.166 -8.352 1.00 0.00 C ATOM 340 CD ARG A 21 17.144 4.813 -9.200 1.00 0.00 C ATOM 341 NE ARG A 21 16.772 4.540 -10.587 1.00 0.00 N ATOM 342 CZ ARG A 21 17.260 3.534 -11.310 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.150 2.698 -10.790 1.00 0.00 N ATOM 344 NH2 ARG A 21 16.856 3.362 -12.562 1.00 0.00 N ATOM 0 H ARG A 21 13.648 4.548 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 21 15.665 2.642 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.741 5.491 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.173 4.592 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.045 4.701 -8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.774 6.244 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.861 5.634 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.642 3.940 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 21 16.094 5.161 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.466 2.823 -9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.518 1.930 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.172 4.000 -12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.229 2.592 -13.117 1.00 0.00 H new ATOM 358 N ALA A 22 15.486 3.638 -4.180 1.00 0.00 N ATOM 359 CA ALA A 22 15.871 3.250 -2.826 1.00 0.00 C ATOM 360 C ALA A 22 15.419 1.837 -2.503 1.00 0.00 C ATOM 361 O ALA A 22 16.225 0.982 -2.137 1.00 0.00 O ATOM 362 CB ALA A 22 15.320 4.239 -1.811 1.00 0.00 C ATOM 0 H ALA A 22 14.954 4.506 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 22 16.959 3.267 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.617 3.934 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.715 5.233 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.232 4.260 -1.877 1.00 0.00 H new ATOM 368 N LEU A 23 14.134 1.596 -2.654 1.00 0.00 N ATOM 369 CA LEU A 23 13.572 0.278 -2.393 1.00 0.00 C ATOM 370 C LEU A 23 14.093 -0.737 -3.412 1.00 0.00 C ATOM 371 O LEU A 23 14.076 -1.952 -3.173 1.00 0.00 O ATOM 372 CB LEU A 23 12.047 0.341 -2.412 1.00 0.00 C ATOM 373 CG LEU A 23 11.333 -0.935 -1.968 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.934 -1.480 -0.678 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.845 -0.682 -1.796 1.00 0.00 C ATOM 0 H LEU A 23 13.454 2.293 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 23 13.887 -0.049 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.726 1.160 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.723 0.585 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 23 11.470 -1.685 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.406 -2.388 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.988 -1.708 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.838 -0.735 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.354 -1.602 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.692 0.089 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.420 -0.351 -2.744 1.00 0.00 H new ATOM 387 N ALA A 24 14.590 -0.235 -4.543 1.00 0.00 N ATOM 388 CA ALA A 24 15.150 -1.105 -5.559 1.00 0.00 C ATOM 389 C ALA A 24 16.462 -1.674 -5.047 1.00 0.00 C ATOM 390 O ALA A 24 16.816 -2.816 -5.338 1.00 0.00 O ATOM 391 CB ALA A 24 15.362 -0.364 -6.871 1.00 0.00 C ATOM 0 H ALA A 24 14.613 0.759 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 24 14.449 -1.915 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.783 -1.046 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.407 0.018 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.048 0.468 -6.712 1.00 0.00 H new ATOM 397 N GLY A 25 17.171 -0.868 -4.254 1.00 0.00 N ATOM 398 CA GLY A 25 18.422 -1.318 -3.683 1.00 0.00 C ATOM 399 C GLY A 25 18.211 -2.505 -2.766 1.00 0.00 C ATOM 400 O GLY A 25 19.107 -3.328 -2.581 1.00 0.00 O ATOM 0 H GLY A 25 16.899 0.082 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.112 -1.590 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.885 -0.503 -3.126 1.00 0.00 H new ATOM 404 N ALA A 26 17.006 -2.596 -2.200 1.00 0.00 N ATOM 405 CA ALA A 26 16.660 -3.692 -1.312 1.00 0.00 C ATOM 406 C ALA A 26 16.373 -4.962 -2.111 1.00 0.00 C ATOM 407 O ALA A 26 16.369 -6.064 -1.563 1.00 0.00 O ATOM 408 CB ALA A 26 15.469 -3.315 -0.443 1.00 0.00 C ATOM 0 H ALA A 26 16.257 -1.919 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 26 17.509 -3.890 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.222 -4.147 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.718 -2.439 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.612 -3.089 -1.078 1.00 0.00 H new ATOM 414 N GLY A 27 16.163 -4.801 -3.419 1.00 0.00 N ATOM 415 CA GLY A 27 15.919 -5.943 -4.277 1.00 0.00 C ATOM 416 C GLY A 27 14.455 -6.203 -4.591 1.00 0.00 C ATOM 417 O GLY A 27 14.091 -7.341 -4.886 1.00 0.00 O ATOM 0 H GLY A 27 16.158 -3.899 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.457 -5.797 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.338 -6.831 -3.804 1.00 0.00 H new ATOM 421 N LEU A 28 13.599 -5.179 -4.543 1.00 0.00 N ATOM 422 CA LEU A 28 12.189 -5.393 -4.847 1.00 0.00 C ATOM 423 C LEU A 28 11.718 -4.555 -6.034 1.00 0.00 C ATOM 424 O LEU A 28 12.384 -3.608 -6.450 1.00 0.00 O ATOM 425 CB LEU A 28 11.309 -5.111 -3.631 1.00 0.00 C ATOM 426 CG LEU A 28 11.985 -5.315 -2.276 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.625 -4.032 -1.808 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.989 -5.841 -1.254 1.00 0.00 C ATOM 0 H LEU A 28 13.851 -4.220 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 28 12.091 -6.444 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.954 -4.082 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.431 -5.755 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 28 12.772 -6.061 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.102 -4.195 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.374 -3.713 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.862 -3.259 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.490 -5.980 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.175 -5.126 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.588 -6.795 -1.595 1.00 0.00 H new ATOM 440 N THR A 29 10.552 -4.922 -6.568 1.00 0.00 N ATOM 441 CA THR A 29 9.963 -4.220 -7.705 1.00 0.00 C ATOM 442 C THR A 29 8.975 -3.162 -7.219 1.00 0.00 C ATOM 443 O THR A 29 7.922 -3.485 -6.671 1.00 0.00 O ATOM 444 CB THR A 29 9.265 -5.215 -8.638 1.00 0.00 C ATOM 445 OG1 THR A 29 10.216 -6.027 -9.301 1.00 0.00 O ATOM 446 CG2 THR A 29 8.412 -4.555 -9.701 1.00 0.00 C ATOM 0 H THR A 29 9.996 -5.706 -6.228 1.00 0.00 H new ATOM 0 HA THR A 29 10.758 -3.723 -8.260 1.00 0.00 H new ATOM 0 HB THR A 29 8.615 -5.804 -7.991 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.753 -6.658 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.949 -5.321 -10.324 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.635 -3.957 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.036 -3.912 -10.321 1.00 0.00 H new ATOM 454 N CYS A 30 9.338 -1.898 -7.407 1.00 0.00 N ATOM 455 CA CYS A 30 8.505 -0.782 -6.971 1.00 0.00 C ATOM 456 C CYS A 30 7.741 -0.143 -8.128 1.00 0.00 C ATOM 457 O CYS A 30 8.339 0.405 -9.055 1.00 0.00 O ATOM 458 CB CYS A 30 9.369 0.280 -6.294 1.00 0.00 C ATOM 459 SG CYS A 30 10.865 -0.367 -5.509 1.00 0.00 S ATOM 0 H CYS A 30 10.208 -1.619 -7.861 1.00 0.00 H new ATOM 0 HA CYS A 30 7.775 -1.183 -6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.655 1.026 -7.036 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.770 0.793 -5.541 1.00 0.00 H new ATOM 0 HG CYS A 30 11.895 0.320 -5.905 1.00 0.00 H new ATOM 465 N THR A 31 6.415 -0.178 -8.041 1.00 0.00 N ATOM 466 CA THR A 31 5.555 0.437 -9.048 1.00 0.00 C ATOM 467 C THR A 31 4.553 1.336 -8.330 1.00 0.00 C ATOM 468 O THR A 31 4.020 0.960 -7.287 1.00 0.00 O ATOM 469 CB THR A 31 4.840 -0.620 -9.901 1.00 0.00 C ATOM 470 OG1 THR A 31 4.407 -0.059 -11.128 1.00 0.00 O ATOM 471 CG2 THR A 31 3.627 -1.223 -9.240 1.00 0.00 C ATOM 0 H THR A 31 5.909 -0.629 -7.278 1.00 0.00 H new ATOM 0 HA THR A 31 6.161 1.028 -9.735 1.00 0.00 H new ATOM 0 HB THR A 31 5.580 -1.406 -10.048 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.955 -0.746 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.178 -1.960 -9.906 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.923 -1.707 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.901 -0.438 -9.026 1.00 0.00 H new ATOM 479 N THR A 32 4.331 2.533 -8.852 1.00 0.00 N ATOM 480 CA THR A 32 3.429 3.473 -8.198 1.00 0.00 C ATOM 481 C THR A 32 2.176 3.762 -9.017 1.00 0.00 C ATOM 482 O THR A 32 2.147 3.578 -10.233 1.00 0.00 O ATOM 483 CB THR A 32 4.176 4.766 -7.891 1.00 0.00 C ATOM 484 OG1 THR A 32 4.738 5.302 -9.074 1.00 0.00 O ATOM 485 CG2 THR A 32 5.294 4.572 -6.884 1.00 0.00 C ATOM 0 H THR A 32 4.756 2.875 -9.714 1.00 0.00 H new ATOM 0 HA THR A 32 3.090 3.009 -7.272 1.00 0.00 H new ATOM 0 HB THR A 32 3.441 5.448 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.051 5.798 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.791 5.525 -6.704 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.880 4.196 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.016 3.855 -7.275 1.00 0.00 H new ATOM 493 N PHE A 33 1.136 4.211 -8.316 1.00 0.00 N ATOM 494 CA PHE A 33 -0.145 4.527 -8.933 1.00 0.00 C ATOM 495 C PHE A 33 -0.686 5.866 -8.416 1.00 0.00 C ATOM 496 O PHE A 33 -0.083 6.495 -7.544 1.00 0.00 O ATOM 497 CB PHE A 33 -1.151 3.399 -8.713 1.00 0.00 C ATOM 498 CG PHE A 33 -0.621 2.037 -9.058 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.425 1.488 -8.338 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.174 1.302 -10.095 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.912 0.236 -8.644 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.690 0.048 -10.408 1.00 0.00 C ATOM 503 CZ PHE A 33 0.354 -0.486 -9.681 1.00 0.00 C ATOM 0 H PHE A 33 1.160 4.365 -7.308 1.00 0.00 H new ATOM 0 HA PHE A 33 0.012 4.625 -10.007 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.464 3.403 -7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.040 3.595 -9.313 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.865 2.048 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.993 1.715 -10.665 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.729 -0.180 -8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.127 -0.514 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.735 -1.467 -9.922 1.00 0.00 H new ATOM 513 N GLU A 34 -1.792 6.321 -9.006 1.00 0.00 N ATOM 514 CA GLU A 34 -2.386 7.616 -8.669 1.00 0.00 C ATOM 515 C GLU A 34 -2.839 7.745 -7.210 1.00 0.00 C ATOM 516 O GLU A 34 -2.392 8.656 -6.513 1.00 0.00 O ATOM 517 CB GLU A 34 -3.573 7.884 -9.597 1.00 0.00 C ATOM 518 CG GLU A 34 -4.604 6.764 -9.610 1.00 0.00 C ATOM 519 CD GLU A 34 -5.813 7.060 -8.747 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.139 8.251 -8.567 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.433 6.095 -8.251 1.00 0.00 O ATOM 0 H GLU A 34 -2.299 5.806 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.598 8.357 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.060 8.810 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.203 8.037 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.931 6.591 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.135 5.843 -9.265 1.00 0.00 H new ATOM 528 N ASN A 35 -3.731 6.876 -6.737 1.00 0.00 N ATOM 529 CA ASN A 35 -4.204 6.991 -5.358 1.00 0.00 C ATOM 530 C ASN A 35 -4.734 5.677 -4.789 1.00 0.00 C ATOM 531 O ASN A 35 -4.761 5.492 -3.571 1.00 0.00 O ATOM 532 CB ASN A 35 -5.282 8.070 -5.256 1.00 0.00 C ATOM 533 CG ASN A 35 -5.371 8.657 -3.864 1.00 0.00 C ATOM 534 OD1 ASN A 35 -6.099 7.980 -2.986 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.790 9.705 -3.578 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.132 6.105 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.337 7.269 -4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.068 8.864 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.247 7.645 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.241 10.193 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.858 10.085 -2.634 1.00 0.00 H new ATOM 542 N GLY A 36 -5.146 4.767 -5.658 1.00 0.00 N ATOM 543 CA GLY A 36 -5.654 3.493 -5.195 1.00 0.00 C ATOM 544 C GLY A 36 -6.398 2.737 -6.269 1.00 0.00 C ATOM 545 O GLY A 36 -6.025 1.618 -6.618 1.00 0.00 O ATOM 0 H GLY A 36 -5.138 4.887 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.824 2.884 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.318 3.658 -4.346 1.00 0.00 H new ATOM 549 N ASN A 37 -7.458 3.347 -6.795 1.00 0.00 N ATOM 550 CA ASN A 37 -8.262 2.716 -7.833 1.00 0.00 C ATOM 551 C ASN A 37 -7.375 2.139 -8.923 1.00 0.00 C ATOM 552 O ASN A 37 -7.690 1.108 -9.523 1.00 0.00 O ATOM 553 CB ASN A 37 -9.256 3.714 -8.421 1.00 0.00 C ATOM 554 CG ASN A 37 -10.692 3.360 -8.082 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.922 2.942 -6.842 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.583 3.458 -8.926 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.778 4.275 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.823 1.898 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.031 4.712 -8.045 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.138 3.747 -9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.361 3.784 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.543 3.214 -8.684 1.00 0.00 H new ATOM 563 N GLU A 38 -6.256 2.806 -9.162 1.00 0.00 N ATOM 564 CA GLU A 38 -5.311 2.359 -10.167 1.00 0.00 C ATOM 565 C GLU A 38 -4.780 0.970 -9.825 1.00 0.00 C ATOM 566 O GLU A 38 -4.966 0.026 -10.595 1.00 0.00 O ATOM 567 CB GLU A 38 -4.159 3.350 -10.287 1.00 0.00 C ATOM 568 CG GLU A 38 -3.974 3.909 -11.689 1.00 0.00 C ATOM 569 CD GLU A 38 -2.803 3.281 -12.417 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.909 2.098 -12.802 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.778 3.971 -12.602 1.00 0.00 O ATOM 0 H GLU A 38 -5.983 3.658 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.828 2.304 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.329 4.176 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.236 2.860 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.885 3.745 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.824 4.987 -11.629 1.00 0.00 H new ATOM 578 N VAL A 39 -4.118 0.839 -8.671 1.00 0.00 N ATOM 579 CA VAL A 39 -3.579 -0.462 -8.269 1.00 0.00 C ATOM 580 C VAL A 39 -4.657 -1.536 -8.283 1.00 0.00 C ATOM 581 O VAL A 39 -4.383 -2.689 -8.604 1.00 0.00 O ATOM 582 CB VAL A 39 -2.937 -0.440 -6.872 1.00 0.00 C ATOM 583 CG1 VAL A 39 -1.892 -1.539 -6.750 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.326 0.909 -6.587 1.00 0.00 C ATOM 0 H VAL A 39 -3.946 1.599 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.806 -0.693 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.717 -0.623 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.447 -1.509 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.364 -2.509 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.115 -1.387 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.877 0.903 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.559 1.125 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.100 1.675 -6.631 1.00 0.00 H new ATOM 594 N LEU A 40 -5.887 -1.159 -7.935 1.00 0.00 N ATOM 595 CA LEU A 40 -6.994 -2.112 -7.920 1.00 0.00 C ATOM 596 C LEU A 40 -7.031 -2.905 -9.223 1.00 0.00 C ATOM 597 O LEU A 40 -7.048 -4.136 -9.217 1.00 0.00 O ATOM 598 CB LEU A 40 -8.332 -1.391 -7.710 1.00 0.00 C ATOM 599 CG LEU A 40 -8.406 -0.473 -6.485 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.828 0.026 -6.283 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.916 -1.190 -5.235 1.00 0.00 C ATOM 0 H LEU A 40 -6.140 -0.209 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.836 -2.800 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.548 -0.798 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.119 -2.141 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.754 0.382 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.865 0.677 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.147 0.583 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.494 -0.824 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.979 -0.516 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.537 -2.067 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.881 -1.501 -5.376 1.00 0.00 H new ATOM 613 N ALA A 41 -7.029 -2.186 -10.340 1.00 0.00 N ATOM 614 CA ALA A 41 -7.051 -2.811 -11.657 1.00 0.00 C ATOM 615 C ALA A 41 -5.828 -3.692 -11.866 1.00 0.00 C ATOM 616 O ALA A 41 -5.932 -4.833 -12.313 1.00 0.00 O ATOM 617 CB ALA A 41 -7.116 -1.747 -12.741 1.00 0.00 C ATOM 0 H ALA A 41 -7.012 -1.166 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.939 -3.440 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.132 -2.226 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.020 -1.152 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.242 -1.099 -12.668 1.00 0.00 H new ATOM 623 N ALA A 42 -4.674 -3.138 -11.548 1.00 0.00 N ATOM 624 CA ALA A 42 -3.407 -3.844 -11.700 1.00 0.00 C ATOM 625 C ALA A 42 -3.322 -5.059 -10.780 1.00 0.00 C ATOM 626 O ALA A 42 -2.733 -6.081 -11.137 1.00 0.00 O ATOM 627 CB ALA A 42 -2.248 -2.897 -11.430 1.00 0.00 C ATOM 0 H ALA A 42 -4.583 -2.192 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.348 -4.205 -12.727 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.306 -3.433 -11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.283 -2.068 -12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.323 -2.511 -10.414 1.00 0.00 H new ATOM 633 N LEU A 43 -3.901 -4.939 -9.592 1.00 0.00 N ATOM 634 CA LEU A 43 -3.880 -6.020 -8.612 1.00 0.00 C ATOM 635 C LEU A 43 -4.720 -7.206 -9.067 1.00 0.00 C ATOM 636 O LEU A 43 -4.544 -8.323 -8.582 1.00 0.00 O ATOM 637 CB LEU A 43 -4.384 -5.516 -7.259 1.00 0.00 C ATOM 638 CG LEU A 43 -3.351 -4.750 -6.433 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.031 -3.936 -5.339 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.340 -5.720 -5.840 1.00 0.00 C ATOM 0 H LEU A 43 -4.393 -4.101 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.848 -6.356 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.246 -4.870 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.733 -6.369 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.824 -4.054 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.277 -3.399 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.719 -3.222 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.584 -4.604 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.607 -5.167 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.855 -6.435 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.833 -6.254 -6.644 1.00 0.00 H new ATOM 652 N ALA A 44 -5.631 -6.962 -9.999 1.00 0.00 N ATOM 653 CA ALA A 44 -6.490 -8.016 -10.513 1.00 0.00 C ATOM 654 C ALA A 44 -5.689 -9.047 -11.307 1.00 0.00 C ATOM 655 O ALA A 44 -6.199 -10.118 -11.637 1.00 0.00 O ATOM 656 CB ALA A 44 -7.595 -7.427 -11.374 1.00 0.00 C ATOM 0 H ALA A 44 -5.793 -6.044 -10.413 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.941 -8.525 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.229 -8.229 -11.751 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.195 -6.741 -10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.155 -6.888 -12.213 1.00 0.00 H new ATOM 662 N SER A 45 -4.434 -8.718 -11.618 1.00 0.00 N ATOM 663 CA SER A 45 -3.580 -9.613 -12.376 1.00 0.00 C ATOM 664 C SER A 45 -2.263 -9.900 -11.650 1.00 0.00 C ATOM 665 O SER A 45 -1.457 -10.699 -12.125 1.00 0.00 O ATOM 666 CB SER A 45 -3.297 -9.029 -13.763 1.00 0.00 C ATOM 667 OG SER A 45 -3.780 -9.884 -14.784 1.00 0.00 O ATOM 0 H SER A 45 -3.993 -7.837 -11.353 1.00 0.00 H new ATOM 0 HA SER A 45 -4.112 -10.558 -12.482 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.767 -8.050 -13.852 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.224 -8.880 -13.886 1.00 0.00 H new ATOM 0 HG SER A 45 -3.589 -9.488 -15.660 1.00 0.00 H new ATOM 673 N LYS A 46 -2.040 -9.257 -10.501 1.00 0.00 N ATOM 674 CA LYS A 46 -0.815 -9.476 -9.747 1.00 0.00 C ATOM 675 C LYS A 46 -1.009 -9.156 -8.271 1.00 0.00 C ATOM 676 O LYS A 46 -1.950 -8.458 -7.892 1.00 0.00 O ATOM 677 CB LYS A 46 0.324 -8.631 -10.316 1.00 0.00 C ATOM 678 CG LYS A 46 1.679 -9.319 -10.264 1.00 0.00 C ATOM 679 CD LYS A 46 2.765 -8.370 -9.781 1.00 0.00 C ATOM 680 CE LYS A 46 3.976 -8.382 -10.705 1.00 0.00 C ATOM 681 NZ LYS A 46 4.175 -7.070 -11.384 1.00 0.00 N ATOM 0 H LYS A 46 -2.687 -8.589 -10.081 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.556 -10.531 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.095 -8.377 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.381 -7.693 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.626 -10.181 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.936 -9.695 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.364 -7.358 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.073 -8.652 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.868 -8.631 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.852 -9.163 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.009 -7.122 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.335 -6.843 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.320 -6.328 -10.670 1.00 0.00 H new ATOM 695 N THR A 47 -0.107 -9.670 -7.445 1.00 0.00 N ATOM 696 CA THR A 47 -0.164 -9.444 -6.012 1.00 0.00 C ATOM 697 C THR A 47 1.228 -9.175 -5.446 1.00 0.00 C ATOM 698 O THR A 47 2.073 -10.071 -5.416 1.00 0.00 O ATOM 699 CB THR A 47 -0.785 -10.658 -5.313 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.164 -10.757 -5.615 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.646 -10.627 -3.804 1.00 0.00 C ATOM 0 H THR A 47 0.676 -10.249 -7.748 1.00 0.00 H new ATOM 0 HA THR A 47 -0.785 -8.567 -5.830 1.00 0.00 H new ATOM 0 HB THR A 47 -0.232 -11.518 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.543 -11.539 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.108 -11.517 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.410 -10.603 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.140 -9.738 -3.411 1.00 0.00 H new ATOM 709 N PRO A 48 1.493 -7.945 -4.973 1.00 0.00 N ATOM 710 CA PRO A 48 2.791 -7.596 -4.400 1.00 0.00 C ATOM 711 C PRO A 48 2.974 -8.190 -3.006 1.00 0.00 C ATOM 712 O PRO A 48 2.010 -8.626 -2.377 1.00 0.00 O ATOM 713 CB PRO A 48 2.744 -6.070 -4.330 1.00 0.00 C ATOM 714 CG PRO A 48 1.300 -5.751 -4.173 1.00 0.00 C ATOM 715 CD PRO A 48 0.558 -6.801 -4.955 1.00 0.00 C ATOM 0 HA PRO A 48 3.623 -7.981 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.328 -5.693 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.155 -5.618 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.008 -5.767 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.077 -4.753 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.387 -7.063 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.323 -6.459 -5.963 1.00 0.00 H new ATOM 723 N ASP A 49 4.209 -8.201 -2.526 1.00 0.00 N ATOM 724 CA ASP A 49 4.504 -8.735 -1.203 1.00 0.00 C ATOM 725 C ASP A 49 4.222 -7.688 -0.130 1.00 0.00 C ATOM 726 O ASP A 49 3.981 -8.019 1.031 1.00 0.00 O ATOM 727 CB ASP A 49 5.962 -9.188 -1.123 1.00 0.00 C ATOM 728 CG ASP A 49 6.308 -10.219 -2.180 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.110 -11.425 -1.921 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.777 -9.822 -3.267 1.00 0.00 O ATOM 0 H ASP A 49 5.022 -7.847 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 49 3.859 -9.596 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.615 -8.323 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.156 -9.606 -0.135 1.00 0.00 H new ATOM 735 N VAL A 50 4.261 -6.421 -0.530 1.00 0.00 N ATOM 736 CA VAL A 50 4.017 -5.315 0.382 1.00 0.00 C ATOM 737 C VAL A 50 3.401 -4.131 -0.365 1.00 0.00 C ATOM 738 O VAL A 50 4.117 -3.284 -0.901 1.00 0.00 O ATOM 739 CB VAL A 50 5.331 -4.875 1.056 1.00 0.00 C ATOM 740 CG1 VAL A 50 6.360 -4.496 0.006 1.00 0.00 C ATOM 741 CG2 VAL A 50 5.097 -3.724 2.022 1.00 0.00 C ATOM 0 H VAL A 50 4.461 -6.136 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 50 3.319 -5.653 1.148 1.00 0.00 H new ATOM 0 HB VAL A 50 5.715 -5.717 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.283 -4.187 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.559 -5.355 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.977 -3.673 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.043 -3.437 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.683 -2.873 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.397 -4.036 2.797 1.00 0.00 H new ATOM 751 N LEU A 51 2.070 -4.085 -0.413 1.00 0.00 N ATOM 752 CA LEU A 51 1.373 -3.007 -1.113 1.00 0.00 C ATOM 753 C LEU A 51 1.210 -1.772 -0.236 1.00 0.00 C ATOM 754 O LEU A 51 1.082 -1.868 0.984 1.00 0.00 O ATOM 755 CB LEU A 51 -0.006 -3.472 -1.590 1.00 0.00 C ATOM 756 CG LEU A 51 -0.879 -2.376 -2.212 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.240 -1.846 -3.484 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.281 -2.900 -2.492 1.00 0.00 C ATOM 0 H LEU A 51 1.457 -4.776 0.021 1.00 0.00 H new ATOM 0 HA LEU A 51 1.987 -2.740 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.129 -4.268 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.540 -3.905 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.959 -1.555 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.873 -1.069 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.740 -1.429 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.128 -2.659 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.885 -2.107 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.224 -3.740 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.740 -3.229 -1.559 1.00 0.00 H new ATOM 770 N LEU A 52 1.191 -0.614 -0.883 1.00 0.00 N ATOM 771 CA LEU A 52 1.015 0.657 -0.197 1.00 0.00 C ATOM 772 C LEU A 52 -0.021 1.492 -0.951 1.00 0.00 C ATOM 773 O LEU A 52 0.219 1.877 -2.090 1.00 0.00 O ATOM 774 CB LEU A 52 2.350 1.402 -0.141 1.00 0.00 C ATOM 775 CG LEU A 52 3.351 0.900 0.899 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.781 1.029 0.378 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.184 1.667 2.198 1.00 0.00 C ATOM 0 H LEU A 52 1.297 -0.530 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 52 0.668 0.482 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.817 1.345 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.148 2.455 0.056 1.00 0.00 H new ATOM 0 HG LEU A 52 3.154 -0.155 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.478 0.666 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.892 0.438 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.996 2.075 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.902 1.301 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.357 2.728 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.172 1.524 2.578 1.00 0.00 H new ATOM 789 N SER A 53 -1.177 1.751 -0.330 1.00 0.00 N ATOM 790 CA SER A 53 -2.246 2.516 -0.984 1.00 0.00 C ATOM 791 C SER A 53 -2.432 3.910 -0.391 1.00 0.00 C ATOM 792 O SER A 53 -2.315 4.106 0.813 1.00 0.00 O ATOM 793 CB SER A 53 -3.566 1.743 -0.904 1.00 0.00 C ATOM 794 OG SER A 53 -3.831 1.069 -2.119 1.00 0.00 O ATOM 0 H SER A 53 -1.396 1.445 0.618 1.00 0.00 H new ATOM 0 HA SER A 53 -1.946 2.648 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.522 1.023 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.382 2.430 -0.680 1.00 0.00 H new ATOM 0 HG SER A 53 -4.678 0.581 -2.044 1.00 0.00 H new ATOM 800 N ASP A 54 -2.754 4.872 -1.256 1.00 0.00 N ATOM 801 CA ASP A 54 -2.990 6.244 -0.827 1.00 0.00 C ATOM 802 C ASP A 54 -4.325 6.335 -0.110 1.00 0.00 C ATOM 803 O ASP A 54 -4.956 5.316 0.168 1.00 0.00 O ATOM 804 CB ASP A 54 -2.993 7.202 -2.022 1.00 0.00 C ATOM 805 CG ASP A 54 -2.447 8.575 -1.672 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.136 8.810 -0.484 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.336 9.419 -2.586 1.00 0.00 O ATOM 0 H ASP A 54 -2.857 4.722 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.184 6.531 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.398 6.773 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.011 7.305 -2.398 1.00 0.00 H new ATOM 812 N ILE A 55 -4.752 7.552 0.192 1.00 0.00 N ATOM 813 CA ILE A 55 -6.006 7.749 0.881 1.00 0.00 C ATOM 814 C ILE A 55 -6.412 9.221 0.905 1.00 0.00 C ATOM 815 O ILE A 55 -6.156 9.931 1.877 1.00 0.00 O ATOM 816 CB ILE A 55 -5.895 7.202 2.308 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.161 7.484 3.122 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.666 7.770 2.996 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.105 6.920 4.523 1.00 0.00 C ATOM 0 H ILE A 55 -4.247 8.410 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.782 7.208 0.340 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.789 6.119 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.318 8.561 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.021 7.063 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.600 7.373 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.774 7.489 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.741 8.857 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.032 7.154 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.979 5.838 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.264 7.360 5.059 1.00 0.00 H new ATOM 831 N ARG A 56 -7.051 9.659 -0.180 1.00 0.00 N ATOM 832 CA ARG A 56 -7.507 11.040 -0.326 1.00 0.00 C ATOM 833 C ARG A 56 -7.925 11.306 -1.768 1.00 0.00 C ATOM 834 O ARG A 56 -7.357 12.168 -2.439 1.00 0.00 O ATOM 835 CB ARG A 56 -6.397 12.019 0.069 1.00 0.00 C ATOM 836 CG ARG A 56 -6.883 13.447 0.256 1.00 0.00 C ATOM 837 CD ARG A 56 -6.420 14.350 -0.875 1.00 0.00 C ATOM 838 NE ARG A 56 -7.544 14.888 -1.638 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.458 15.711 -1.131 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.390 16.093 0.140 1.00 0.00 N ATOM 841 NH2 ARG A 56 -9.443 16.156 -1.897 1.00 0.00 N ATOM 0 H ARG A 56 -7.267 9.066 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.362 11.187 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.935 11.677 0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.622 12.005 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.972 13.457 0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.515 13.835 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.832 15.172 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.764 13.790 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.633 14.617 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.633 15.755 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.095 16.724 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.500 15.868 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.145 16.787 -1.510 1.00 0.00 H new ATOM 855 N MET A 57 -8.911 10.552 -2.249 1.00 0.00 N ATOM 856 CA MET A 57 -9.377 10.710 -3.626 1.00 0.00 C ATOM 857 C MET A 57 -10.773 10.116 -3.850 1.00 0.00 C ATOM 858 O MET A 57 -11.710 10.837 -4.194 1.00 0.00 O ATOM 859 CB MET A 57 -8.379 10.053 -4.584 1.00 0.00 C ATOM 860 CG MET A 57 -7.346 11.016 -5.145 1.00 0.00 C ATOM 861 SD MET A 57 -7.728 11.545 -6.825 1.00 0.00 S ATOM 862 CE MET A 57 -7.378 13.298 -6.712 1.00 0.00 C ATOM 0 H MET A 57 -9.398 9.833 -1.714 1.00 0.00 H new ATOM 0 HA MET A 57 -9.446 11.780 -3.823 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.865 9.246 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.927 9.600 -5.410 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.282 11.891 -4.499 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.366 10.539 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.567 13.770 -7.676 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.020 13.749 -5.955 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.334 13.443 -6.435 1.00 0.00 H new ATOM 872 N PRO A 58 -10.930 8.789 -3.680 1.00 0.00 N ATOM 873 CA PRO A 58 -12.217 8.105 -3.892 1.00 0.00 C ATOM 874 C PRO A 58 -13.336 8.625 -2.996 1.00 0.00 C ATOM 875 O PRO A 58 -13.166 9.607 -2.273 1.00 0.00 O ATOM 876 CB PRO A 58 -11.908 6.641 -3.560 1.00 0.00 C ATOM 877 CG PRO A 58 -10.666 6.690 -2.742 1.00 0.00 C ATOM 878 CD PRO A 58 -9.874 7.840 -3.288 1.00 0.00 C ATOM 0 HA PRO A 58 -12.582 8.265 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.727 6.179 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.762 6.052 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.896 6.837 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.108 5.757 -2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.203 8.264 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.258 7.543 -4.137 1.00 0.00 H new ATOM 886 N GLY A 59 -14.485 7.950 -3.057 1.00 0.00 N ATOM 887 CA GLY A 59 -15.633 8.343 -2.257 1.00 0.00 C ATOM 888 C GLY A 59 -15.318 8.400 -0.776 1.00 0.00 C ATOM 889 O GLY A 59 -15.321 9.475 -0.178 1.00 0.00 O ATOM 0 H GLY A 59 -14.639 7.134 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.985 9.320 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.447 7.638 -2.425 1.00 0.00 H new ATOM 893 N MET A 60 -15.039 7.243 -0.183 1.00 0.00 N ATOM 894 CA MET A 60 -14.710 7.171 1.237 1.00 0.00 C ATOM 895 C MET A 60 -13.317 7.746 1.490 1.00 0.00 C ATOM 896 O MET A 60 -12.434 7.065 2.017 1.00 0.00 O ATOM 897 CB MET A 60 -14.791 5.720 1.727 1.00 0.00 C ATOM 898 CG MET A 60 -15.770 5.523 2.873 1.00 0.00 C ATOM 899 SD MET A 60 -15.961 3.790 3.338 1.00 0.00 S ATOM 900 CE MET A 60 -17.377 3.327 2.343 1.00 0.00 C ATOM 0 H MET A 60 -15.034 6.343 -0.663 1.00 0.00 H new ATOM 0 HA MET A 60 -15.434 7.766 1.795 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.083 5.079 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.800 5.396 2.046 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.429 6.091 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.741 5.928 2.589 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.988 2.609 2.891 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.971 4.214 2.121 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.035 2.876 1.411 1.00 0.00 H new ATOM 910 N ASP A 61 -13.136 9.004 1.088 1.00 0.00 N ATOM 911 CA ASP A 61 -11.867 9.703 1.237 1.00 0.00 C ATOM 912 C ASP A 61 -10.768 8.955 0.505 1.00 0.00 C ATOM 913 O ASP A 61 -10.382 9.320 -0.603 1.00 0.00 O ATOM 914 CB ASP A 61 -11.499 9.864 2.713 1.00 0.00 C ATOM 915 CG ASP A 61 -11.546 11.311 3.169 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.650 11.894 3.183 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.478 11.859 3.513 1.00 0.00 O ATOM 0 H ASP A 61 -13.867 9.564 0.650 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.974 10.696 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.183 9.272 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.498 9.466 2.880 1.00 0.00 H new ATOM 922 N GLY A 62 -10.276 7.900 1.132 1.00 0.00 N ATOM 923 CA GLY A 62 -9.232 7.107 0.532 1.00 0.00 C ATOM 924 C GLY A 62 -9.334 5.634 0.884 1.00 0.00 C ATOM 925 O GLY A 62 -8.913 4.778 0.109 1.00 0.00 O ATOM 0 H GLY A 62 -10.584 7.579 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.273 7.220 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.263 7.487 0.855 1.00 0.00 H new ATOM 929 N LEU A 63 -9.894 5.331 2.054 1.00 0.00 N ATOM 930 CA LEU A 63 -10.039 3.948 2.480 1.00 0.00 C ATOM 931 C LEU A 63 -10.957 3.185 1.531 1.00 0.00 C ATOM 932 O LEU A 63 -10.940 1.951 1.494 1.00 0.00 O ATOM 933 CB LEU A 63 -10.577 3.858 3.907 1.00 0.00 C ATOM 934 CG LEU A 63 -9.815 4.677 4.950 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.410 6.073 5.073 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.824 3.967 6.296 1.00 0.00 C ATOM 0 H LEU A 63 -10.251 6.020 2.716 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.048 3.494 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.618 4.182 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.569 2.812 4.215 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.780 4.775 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.855 6.641 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.348 6.581 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.454 5.998 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.277 4.564 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.853 3.836 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.348 2.991 6.196 1.00 0.00 H new ATOM 948 N ALA A 64 -11.760 3.920 0.763 1.00 0.00 N ATOM 949 CA ALA A 64 -12.676 3.294 -0.186 1.00 0.00 C ATOM 950 C ALA A 64 -11.929 2.336 -1.112 1.00 0.00 C ATOM 951 O ALA A 64 -12.514 1.406 -1.672 1.00 0.00 O ATOM 952 CB ALA A 64 -13.404 4.359 -0.992 1.00 0.00 C ATOM 0 H ALA A 64 -11.795 4.939 0.779 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.411 2.716 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.084 3.880 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.972 5.001 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.678 4.960 -1.540 1.00 0.00 H new ATOM 958 N LEU A 65 -10.623 2.556 -1.254 1.00 0.00 N ATOM 959 CA LEU A 65 -9.791 1.702 -2.090 1.00 0.00 C ATOM 960 C LEU A 65 -9.639 0.325 -1.454 1.00 0.00 C ATOM 961 O LEU A 65 -9.694 -0.698 -2.136 1.00 0.00 O ATOM 962 CB LEU A 65 -8.419 2.342 -2.302 1.00 0.00 C ATOM 963 CG LEU A 65 -8.448 3.837 -2.620 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.125 4.492 -2.251 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.768 4.058 -4.091 1.00 0.00 C ATOM 0 H LEU A 65 -10.121 3.319 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.275 1.586 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.820 2.188 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.914 1.822 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.232 4.302 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.168 5.556 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.940 4.363 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.318 4.027 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.785 5.127 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.006 3.579 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.743 3.627 -4.320 1.00 0.00 H new ATOM 977 N LEU A 66 -9.463 0.310 -0.133 1.00 0.00 N ATOM 978 CA LEU A 66 -9.320 -0.937 0.608 1.00 0.00 C ATOM 979 C LEU A 66 -10.527 -1.830 0.359 1.00 0.00 C ATOM 980 O LEU A 66 -10.402 -3.042 0.172 1.00 0.00 O ATOM 981 CB LEU A 66 -9.179 -0.653 2.100 1.00 0.00 C ATOM 982 CG LEU A 66 -7.821 -0.088 2.517 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.771 1.405 2.264 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.541 -0.388 3.980 1.00 0.00 C ATOM 0 H LEU A 66 -9.416 1.150 0.444 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.421 -1.449 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.957 0.050 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.357 -1.577 2.650 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.050 -0.569 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.798 1.793 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.926 1.600 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.553 1.898 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.570 0.023 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.316 0.065 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.536 -1.467 4.136 1.00 0.00 H new ATOM 996 N LYS A 67 -11.698 -1.214 0.343 1.00 0.00 N ATOM 997 CA LYS A 67 -12.939 -1.940 0.093 1.00 0.00 C ATOM 998 C LYS A 67 -12.830 -2.733 -1.212 1.00 0.00 C ATOM 999 O LYS A 67 -13.053 -3.946 -1.246 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.117 -0.967 0.018 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.195 -0.011 1.198 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.032 -0.587 2.326 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.484 -0.152 2.218 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.412 -1.185 2.756 1.00 0.00 N ATOM 0 H LYS A 67 -11.818 -0.213 0.500 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.110 -2.634 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.041 -0.389 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.045 -1.537 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.190 0.203 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.624 0.937 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.974 -1.675 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.625 -0.265 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.625 0.782 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.727 0.047 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.393 -0.852 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.295 -2.069 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.197 -1.357 3.759 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.461 -2.033 -2.283 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.295 -2.658 -3.591 1.00 0.00 C ATOM 1020 C GLN A 68 -11.080 -3.581 -3.583 1.00 0.00 C ATOM 1021 O GLN A 68 -11.030 -4.578 -4.303 1.00 0.00 O ATOM 1022 CB GLN A 68 -12.116 -1.591 -4.676 1.00 0.00 C ATOM 1023 CG GLN A 68 -13.010 -0.369 -4.509 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.378 -0.556 -5.136 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.531 -0.480 -6.355 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -15.382 -0.799 -4.301 1.00 0.00 N ATOM 0 H GLN A 68 -12.271 -1.031 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.191 -3.240 -3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.075 -1.267 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.315 -2.042 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.128 -0.152 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.524 0.496 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.209 -0.853 -3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.326 -0.931 -4.664 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.108 -3.231 -2.749 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.878 -3.994 -2.598 1.00 0.00 C ATOM 1037 C ILE A 69 -9.173 -5.459 -2.306 1.00 0.00 C ATOM 1038 O ILE A 69 -8.666 -6.356 -2.977 1.00 0.00 O ATOM 1039 CB ILE A 69 -8.022 -3.357 -1.469 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.071 -2.304 -2.051 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -7.268 -4.386 -0.634 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.092 -2.850 -3.067 1.00 0.00 C ATOM 0 H ILE A 69 -10.153 -2.403 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.318 -3.962 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.714 -2.868 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.661 -1.516 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.513 -1.844 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.690 -3.876 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.979 -5.065 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.595 -4.953 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.456 -2.043 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.474 -3.617 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.640 -3.284 -3.903 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.988 -5.683 -1.296 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.355 -7.035 -0.894 1.00 0.00 C ATOM 1056 C LYS A 70 -11.230 -7.704 -1.942 1.00 0.00 C ATOM 1057 O LYS A 70 -11.192 -8.922 -2.116 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.073 -7.013 0.452 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.385 -6.245 0.437 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.496 -7.022 1.125 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.541 -6.090 1.719 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.796 -6.079 0.918 1.00 0.00 N ATOM 0 H LYS A 70 -10.413 -4.946 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.437 -7.615 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.267 -8.039 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.413 -6.571 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.251 -5.284 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.672 -6.034 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.970 -7.693 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.072 -7.645 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.765 -6.399 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.137 -5.079 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.482 -5.432 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.588 -5.759 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.196 -7.038 0.887 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.014 -6.900 -2.635 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.901 -7.403 -3.666 1.00 0.00 C ATOM 1078 C GLN A 71 -12.127 -7.678 -4.959 1.00 0.00 C ATOM 1079 O GLN A 71 -12.556 -8.472 -5.796 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.029 -6.389 -3.892 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.732 -6.498 -5.240 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.492 -5.283 -6.116 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.312 -4.681 -5.988 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -15.355 -4.888 -6.898 1.00 0.00 N flip ATOM 0 H GLN A 71 -12.054 -5.890 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.337 -8.349 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.770 -6.510 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.619 -5.384 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.382 -7.391 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.803 -6.621 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.246 -5.379 -6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.179 -4.069 -7.480 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.991 -7.010 -5.114 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.162 -7.166 -6.305 1.00 0.00 C ATOM 1095 C ARG A 72 -9.199 -8.343 -6.183 1.00 0.00 C ATOM 1096 O ARG A 72 -9.371 -9.373 -6.834 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.368 -5.885 -6.561 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.219 -4.729 -7.058 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.113 -4.567 -8.564 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.246 -3.830 -9.117 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.361 -3.502 -10.402 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.417 -3.848 -11.268 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.422 -2.827 -10.823 1.00 0.00 N ATOM 0 H ARG A 72 -10.621 -6.352 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.831 -7.365 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.869 -5.587 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.588 -6.092 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.260 -4.897 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.904 -3.807 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.188 -4.045 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.057 -5.550 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.993 -3.550 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.599 -4.368 -10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.510 -3.594 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.151 -2.559 -10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.509 -2.576 -11.808 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.175 -8.162 -5.368 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.147 -9.185 -5.172 1.00 0.00 C ATOM 1119 C HIS A 73 -7.500 -10.150 -4.038 1.00 0.00 C ATOM 1120 O HIS A 73 -8.417 -9.895 -3.258 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.814 -8.510 -4.871 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.897 -7.494 -3.787 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.177 -7.824 -2.487 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -5.649 -6.170 -3.794 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.079 -6.754 -1.736 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -5.755 -5.730 -2.502 1.00 0.00 N ATOM 0 H HIS A 73 -8.027 -7.311 -4.825 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.080 -9.769 -6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.085 -9.271 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.444 -8.033 -5.778 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.423 -8.757 -2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.411 -5.568 -4.658 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.237 -6.717 -0.668 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.768 -11.282 -3.936 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.006 -12.291 -2.898 1.00 0.00 C ATOM 1137 C PRO A 74 -6.430 -11.894 -1.539 1.00 0.00 C ATOM 1138 O PRO A 74 -5.438 -12.463 -1.083 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.289 -13.523 -3.445 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.164 -12.973 -4.250 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.659 -11.675 -4.835 1.00 0.00 C ATOM 0 HA PRO A 74 -8.070 -12.439 -2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.926 -14.161 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.955 -14.131 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.284 -12.809 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.872 -13.668 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.873 -10.920 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.003 -11.804 -5.861 1.00 0.00 H new ATOM 1149 N MET A 75 -7.072 -10.924 -0.898 1.00 0.00 N ATOM 1150 CA MET A 75 -6.657 -10.444 0.420 1.00 0.00 C ATOM 1151 C MET A 75 -5.187 -10.020 0.450 1.00 0.00 C ATOM 1152 O MET A 75 -4.510 -10.174 1.467 1.00 0.00 O ATOM 1153 CB MET A 75 -6.942 -11.507 1.490 1.00 0.00 C ATOM 1154 CG MET A 75 -5.886 -12.597 1.612 1.00 0.00 C ATOM 1155 SD MET A 75 -6.498 -14.219 1.114 1.00 0.00 S ATOM 1156 CE MET A 75 -7.158 -14.819 2.668 1.00 0.00 C ATOM 0 H MET A 75 -7.892 -10.448 -1.273 1.00 0.00 H new ATOM 0 HA MET A 75 -7.245 -9.553 0.641 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.044 -11.011 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.901 -11.975 1.269 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.025 -12.334 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.538 -12.646 2.644 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.575 -15.816 2.525 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.360 -14.862 3.410 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.941 -14.145 3.015 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.709 -9.469 -0.657 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.333 -9.000 -0.751 1.00 0.00 C ATOM 1168 C LEU A 76 -3.106 -7.860 0.253 1.00 0.00 C ATOM 1169 O LEU A 76 -3.796 -6.841 0.207 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.063 -8.548 -2.198 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.870 -7.625 -2.447 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.326 -6.184 -2.384 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.729 -7.887 -1.477 1.00 0.00 C ATOM 0 H LEU A 76 -5.257 -9.335 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.636 -9.800 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.928 -9.441 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.958 -8.044 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.478 -7.834 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.476 -5.525 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.086 -6.009 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.745 -5.978 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.095 -7.208 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.075 -7.725 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.388 -8.917 -1.585 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.148 -8.023 1.190 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.857 -7.011 2.219 1.00 0.00 C ATOM 1187 C PRO A 77 -1.581 -5.626 1.639 1.00 0.00 C ATOM 1188 O PRO A 77 -0.805 -5.474 0.693 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.606 -7.556 2.929 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.087 -8.639 2.043 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.288 -9.205 1.347 1.00 0.00 C ATOM 0 HA PRO A 77 -2.711 -6.867 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.139 -6.773 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.853 -7.942 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.633 -8.246 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.427 -9.406 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.029 -9.649 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.771 -9.983 1.938 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.234 -4.620 2.224 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.085 -3.235 1.785 1.00 0.00 C ATOM 1201 C VAL A 78 -1.631 -2.332 2.926 1.00 0.00 C ATOM 1202 O VAL A 78 -1.891 -2.610 4.096 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.410 -2.668 1.237 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.156 -1.436 0.384 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.174 -3.721 0.449 1.00 0.00 C ATOM 0 H VAL A 78 -2.875 -4.742 3.008 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.332 -3.248 0.997 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.026 -2.375 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.104 -1.052 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.668 -0.670 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.513 -1.701 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.104 -3.292 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.567 -4.059 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.400 -4.568 1.097 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.972 -1.235 2.572 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.501 -0.269 3.556 1.00 0.00 C ATOM 1217 C ILE A 79 -0.892 1.140 3.138 1.00 0.00 C ATOM 1218 O ILE A 79 -0.460 1.625 2.095 1.00 0.00 O ATOM 1219 CB ILE A 79 1.026 -0.315 3.731 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.533 -1.754 3.773 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.433 0.426 4.994 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.918 -1.908 3.192 1.00 0.00 C ATOM 0 H ILE A 79 -0.751 -0.992 1.606 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.969 -0.534 4.504 1.00 0.00 H new ATOM 0 HB ILE A 79 1.480 0.176 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.537 -2.102 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.841 -2.393 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.516 0.386 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.114 1.466 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.961 -0.042 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.223 -2.953 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.913 -1.589 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.620 -1.293 3.756 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.713 1.796 3.942 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.151 3.146 3.613 1.00 0.00 C ATOM 1236 C ILE A 80 -1.260 4.198 4.259 1.00 0.00 C ATOM 1237 O ILE A 80 -0.673 3.963 5.309 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.617 3.388 4.013 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.475 2.168 3.664 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.154 4.632 3.318 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.416 1.787 2.200 1.00 0.00 C ATOM 0 H ILE A 80 -2.086 1.424 4.815 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.071 3.239 2.530 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.663 3.544 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.148 1.320 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.510 2.372 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.192 4.792 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.558 5.497 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.097 4.499 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.047 0.915 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.771 2.620 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.388 1.551 1.927 1.00 0.00 H new ATOM 1253 N MET A 81 -1.149 5.352 3.600 1.00 0.00 N ATOM 1254 CA MET A 81 -0.303 6.443 4.090 1.00 0.00 C ATOM 1255 C MET A 81 -1.034 7.363 5.073 1.00 0.00 C ATOM 1256 O MET A 81 -0.394 8.094 5.826 1.00 0.00 O ATOM 1257 CB MET A 81 0.276 7.279 2.932 1.00 0.00 C ATOM 1258 CG MET A 81 -0.452 7.137 1.603 1.00 0.00 C ATOM 1259 SD MET A 81 0.418 6.060 0.445 1.00 0.00 S ATOM 1260 CE MET A 81 0.571 4.556 1.402 1.00 0.00 C ATOM 0 H MET A 81 -1.634 5.556 2.726 1.00 0.00 H new ATOM 0 HA MET A 81 0.516 5.963 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.266 8.329 3.223 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.319 6.998 2.788 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.451 6.740 1.781 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.576 8.122 1.154 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.105 3.806 0.819 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.122 4.763 2.319 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.422 4.181 1.652 1.00 0.00 H new ATOM 1270 N THR A 82 -2.363 7.339 5.064 1.00 0.00 N ATOM 1271 CA THR A 82 -3.141 8.195 5.965 1.00 0.00 C ATOM 1272 C THR A 82 -4.437 7.510 6.386 1.00 0.00 C ATOM 1273 O THR A 82 -4.792 6.462 5.855 1.00 0.00 O ATOM 1274 CB THR A 82 -3.454 9.534 5.294 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.345 9.986 4.541 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.803 10.624 6.282 1.00 0.00 C ATOM 0 H THR A 82 -2.922 6.745 4.452 1.00 0.00 H new ATOM 0 HA THR A 82 -2.540 8.376 6.856 1.00 0.00 H new ATOM 0 HB THR A 82 -4.318 9.346 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.603 10.074 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.014 11.548 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.682 10.328 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.965 10.782 6.960 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.142 8.104 7.346 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.404 7.543 7.822 1.00 0.00 C ATOM 1286 C ALA A 83 -7.556 8.542 7.666 1.00 0.00 C ATOM 1287 O ALA A 83 -8.723 8.155 7.630 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.278 7.099 9.268 1.00 0.00 C ATOM 0 H ALA A 83 -4.863 8.970 7.808 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.633 6.673 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.228 6.684 9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.501 6.339 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.015 7.955 9.890 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.217 9.828 7.562 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.207 10.890 7.394 1.00 0.00 C ATOM 1296 C HIS A 84 -9.401 10.740 8.336 1.00 0.00 C ATOM 1297 O HIS A 84 -10.509 11.174 8.019 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.681 10.930 5.945 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.766 11.713 5.059 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.991 12.755 5.519 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -7.482 11.588 3.742 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.269 13.236 4.527 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -6.545 12.546 3.436 1.00 0.00 N ATOM 0 H HIS A 84 -6.253 10.160 7.592 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.719 11.830 7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.763 9.911 5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.679 11.366 5.906 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -6.978 13.101 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.911 10.870 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.570 14.056 4.595 1.00 0.00 H new ATOM 1312 N SER A 85 -9.163 10.149 9.503 1.00 0.00 N ATOM 1313 CA SER A 85 -10.210 9.966 10.512 1.00 0.00 C ATOM 1314 C SER A 85 -11.293 8.972 10.086 1.00 0.00 C ATOM 1315 O SER A 85 -12.186 8.661 10.874 1.00 0.00 O ATOM 1316 CB SER A 85 -10.854 11.312 10.857 1.00 0.00 C ATOM 1317 OG SER A 85 -9.931 12.176 11.503 1.00 0.00 O ATOM 0 H SER A 85 -8.250 9.786 9.778 1.00 0.00 H new ATOM 0 HA SER A 85 -9.720 9.546 11.390 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.222 11.785 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.717 11.150 11.503 1.00 0.00 H new ATOM 0 HG SER A 85 -10.370 13.028 11.709 1.00 0.00 H new ATOM 1323 N ASP A 86 -11.220 8.461 8.859 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.210 7.496 8.391 1.00 0.00 C ATOM 1325 C ASP A 86 -11.730 6.072 8.660 1.00 0.00 C ATOM 1326 O ASP A 86 -11.926 5.172 7.845 1.00 0.00 O ATOM 1327 CB ASP A 86 -12.500 7.695 6.900 1.00 0.00 C ATOM 1328 CG ASP A 86 -13.870 8.299 6.655 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.877 7.602 6.900 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -13.935 9.466 6.218 1.00 0.00 O ATOM 0 H ASP A 86 -10.496 8.695 8.180 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.137 7.660 8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.737 8.342 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.432 6.735 6.388 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.104 5.885 9.820 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.580 4.586 10.241 1.00 0.00 C ATOM 1337 C LEU A 87 -11.605 3.465 10.072 1.00 0.00 C ATOM 1338 O LEU A 87 -11.246 2.289 10.026 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.128 4.659 11.704 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.728 4.108 11.989 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.699 2.597 11.832 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.701 4.762 11.081 1.00 0.00 C ATOM 0 H LEU A 87 -10.945 6.631 10.497 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.731 4.352 9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.162 5.700 12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.846 4.113 12.316 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.473 4.346 13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.694 2.229 12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.403 2.145 12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.979 2.332 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.713 4.357 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.954 4.560 10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.698 5.839 11.251 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.881 3.831 10.007 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.958 2.855 9.871 1.00 0.00 C ATOM 1356 C ASP A 88 -13.666 1.828 8.777 1.00 0.00 C ATOM 1357 O ASP A 88 -13.647 0.625 9.035 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.277 3.567 9.568 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.460 2.620 9.576 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.404 1.605 10.303 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.442 2.891 8.853 1.00 0.00 O ATOM 0 H ASP A 88 -13.196 4.800 10.046 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.034 2.321 10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.440 4.354 10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.210 4.052 8.594 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.447 2.300 7.555 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.168 1.406 6.439 1.00 0.00 C ATOM 1368 C ALA A 89 -11.839 0.676 6.624 1.00 0.00 C ATOM 1369 O ALA A 89 -11.640 -0.411 6.079 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.187 2.172 5.128 1.00 0.00 C ATOM 0 H ALA A 89 -13.457 3.291 7.313 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.954 0.651 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.977 1.489 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.169 2.623 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.429 2.955 5.153 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.936 1.265 7.404 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.638 0.645 7.657 1.00 0.00 C ATOM 1378 C ALA A 90 -9.812 -0.606 8.506 1.00 0.00 C ATOM 1379 O ALA A 90 -9.073 -1.579 8.353 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.682 1.618 8.340 1.00 0.00 C ATOM 0 H ALA A 90 -11.077 2.162 7.868 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.204 0.368 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.725 1.126 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.531 2.489 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.105 1.936 9.293 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.800 -0.578 9.395 1.00 0.00 N ATOM 1387 CA VAL A 91 -11.071 -1.719 10.256 1.00 0.00 C ATOM 1388 C VAL A 91 -11.478 -2.929 9.429 1.00 0.00 C ATOM 1389 O VAL A 91 -10.990 -4.038 9.647 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.170 -1.420 11.289 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.165 -2.484 12.376 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.986 -0.033 11.886 1.00 0.00 C ATOM 0 H VAL A 91 -11.422 0.218 9.536 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.147 -1.932 10.794 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.137 -1.441 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.946 -2.265 13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.349 -3.461 11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.196 -2.490 12.875 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.775 0.157 12.614 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.015 0.025 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.036 0.714 11.094 1.00 0.00 H new ATOM 1402 N SER A 92 -12.366 -2.705 8.466 1.00 0.00 N ATOM 1403 CA SER A 92 -12.828 -3.773 7.591 1.00 0.00 C ATOM 1404 C SER A 92 -11.650 -4.363 6.827 1.00 0.00 C ATOM 1405 O SER A 92 -11.601 -5.565 6.547 1.00 0.00 O ATOM 1406 CB SER A 92 -13.874 -3.242 6.610 1.00 0.00 C ATOM 1407 OG SER A 92 -13.297 -2.326 5.695 1.00 0.00 O ATOM 0 H SER A 92 -12.779 -1.793 8.273 1.00 0.00 H new ATOM 0 HA SER A 92 -13.285 -4.552 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.320 -4.073 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.678 -2.753 7.160 1.00 0.00 H new ATOM 0 HG SER A 92 -12.750 -1.676 6.184 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.692 -3.504 6.501 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.509 -3.932 5.781 1.00 0.00 C ATOM 1415 C ALA A 93 -8.759 -4.988 6.572 1.00 0.00 C ATOM 1416 O ALA A 93 -8.293 -5.983 6.019 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.617 -2.745 5.468 1.00 0.00 C ATOM 0 H ALA A 93 -10.715 -2.509 6.725 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.819 -4.377 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.734 -3.086 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.165 -2.030 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.310 -2.265 6.397 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.669 -4.774 7.873 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.998 -5.721 8.753 1.00 0.00 C ATOM 1425 C TYR A 94 -8.713 -7.066 8.716 1.00 0.00 C ATOM 1426 O TYR A 94 -8.134 -8.101 9.045 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.959 -5.198 10.193 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.490 -3.766 10.315 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -6.404 -3.305 9.583 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.135 -2.873 11.163 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.973 -1.996 9.692 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.711 -1.562 11.276 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.630 -1.129 10.539 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.205 0.177 10.648 1.00 0.00 O ATOM 0 H TYR A 94 -9.051 -3.954 8.345 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.974 -5.844 8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.956 -5.281 10.626 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.301 -5.836 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.887 -3.980 8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.982 -3.209 11.743 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.126 -1.654 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.224 -0.881 11.938 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.908 0.499 9.771 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.981 -7.039 8.309 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.783 -8.253 8.226 1.00 0.00 C ATOM 1446 C GLN A 95 -10.290 -9.142 7.090 1.00 0.00 C ATOM 1447 O GLN A 95 -10.179 -10.357 7.244 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.275 -7.902 8.058 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.838 -8.104 6.651 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.875 -7.067 6.277 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.756 -6.733 7.071 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.776 -6.551 5.057 1.00 0.00 N ATOM 0 H GLN A 95 -10.473 -6.189 8.032 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.673 -8.810 9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.855 -8.508 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.421 -6.860 8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.021 -8.070 5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.283 -9.097 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.030 -6.857 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.446 -5.848 4.745 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.000 -8.529 5.946 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.524 -9.278 4.796 1.00 0.00 C ATOM 1463 C GLN A 96 -8.025 -9.547 4.897 1.00 0.00 C ATOM 1464 O GLN A 96 -7.509 -10.452 4.248 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.836 -8.527 3.500 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.054 -7.235 3.341 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.949 -6.013 3.363 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.996 -6.009 4.011 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.543 -4.969 2.650 1.00 0.00 N ATOM 0 H GLN A 96 -10.086 -7.524 5.795 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.044 -10.236 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.622 -9.178 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.902 -8.303 3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.318 -7.158 4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.502 -7.261 2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.668 -5.017 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.106 -4.119 2.624 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.333 -8.775 5.731 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.905 -8.977 5.903 1.00 0.00 C ATOM 1480 C GLY A 97 -5.069 -7.757 5.549 1.00 0.00 C ATOM 1481 O GLY A 97 -3.988 -7.892 4.975 1.00 0.00 O ATOM 0 H GLY A 97 -7.732 -8.019 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.708 -9.253 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.588 -9.816 5.283 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.553 -6.567 5.898 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.814 -5.341 5.614 1.00 0.00 C ATOM 1487 C ALA A 98 -3.494 -5.333 6.375 1.00 0.00 C ATOM 1488 O ALA A 98 -3.364 -5.985 7.411 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.638 -4.116 5.969 1.00 0.00 C ATOM 0 H ALA A 98 -6.445 -6.427 6.373 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.603 -5.309 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.065 -3.216 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.557 -4.114 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.884 -4.138 7.031 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.512 -4.607 5.856 1.00 0.00 N ATOM 1496 CA PHE A 99 -1.208 -4.544 6.496 1.00 0.00 C ATOM 1497 C PHE A 99 -1.199 -3.573 7.673 1.00 0.00 C ATOM 1498 O PHE A 99 -0.810 -3.940 8.781 1.00 0.00 O ATOM 1499 CB PHE A 99 -0.134 -4.149 5.483 1.00 0.00 C ATOM 1500 CG PHE A 99 1.183 -4.818 5.740 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.353 -6.167 5.469 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.246 -4.102 6.264 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.561 -6.789 5.716 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.457 -4.720 6.512 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.614 -6.066 6.239 1.00 0.00 C ATOM 0 H PHE A 99 -2.594 -4.058 5.000 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.988 -5.539 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.476 -4.404 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.002 -3.068 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.532 -6.737 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.128 -3.051 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.682 -7.840 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.280 -4.152 6.919 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.559 -6.551 6.435 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.622 -2.333 7.430 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.654 -1.316 8.480 1.00 0.00 C ATOM 1517 C ASP A 100 -2.028 0.047 7.911 1.00 0.00 C ATOM 1518 O ASP A 100 -2.564 0.143 6.807 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.296 -1.229 9.190 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.432 -1.260 10.699 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.207 -2.094 11.210 1.00 0.00 O ATOM 1522 OD2 ASP A 100 0.237 -0.446 11.371 1.00 0.00 O ATOM 0 H ASP A 100 -1.946 -2.009 6.519 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.414 -1.610 9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.334 -2.058 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.209 -0.310 8.892 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.748 1.099 8.674 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.063 2.452 8.244 1.00 0.00 C ATOM 1529 C TYR A 101 -0.974 3.435 8.675 1.00 0.00 C ATOM 1530 O TYR A 101 -0.458 3.365 9.789 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.425 2.878 8.808 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.560 2.741 7.816 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.157 1.509 7.568 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.024 3.847 7.115 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.182 1.387 6.650 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.051 3.732 6.199 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.626 2.500 5.970 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.644 2.380 5.051 1.00 0.00 O ATOM 0 H TYR A 101 -1.305 1.038 9.591 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.110 2.463 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.649 2.276 9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.364 3.915 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.814 0.635 8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.574 4.813 7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.633 0.423 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.402 4.603 5.665 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.540 3.064 4.356 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.649 4.360 7.777 1.00 0.00 N ATOM 1549 CA LEU A 102 0.360 5.385 8.031 1.00 0.00 C ATOM 1550 C LEU A 102 -0.361 6.694 8.362 1.00 0.00 C ATOM 1551 O LEU A 102 -1.389 6.996 7.761 1.00 0.00 O ATOM 1552 CB LEU A 102 1.240 5.569 6.777 1.00 0.00 C ATOM 1553 CG LEU A 102 2.765 5.510 6.964 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.174 4.305 7.792 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.459 5.458 5.604 1.00 0.00 C ATOM 0 H LEU A 102 -1.077 4.421 6.853 1.00 0.00 H new ATOM 0 HA LEU A 102 0.999 5.090 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.960 4.802 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.993 6.533 6.331 1.00 0.00 H new ATOM 0 HG LEU A 102 3.071 6.411 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.258 4.293 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.707 4.363 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.851 3.393 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.539 5.416 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.131 4.571 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.203 6.349 5.031 1.00 0.00 H new ATOM 1567 N PRO A 103 0.140 7.484 9.325 1.00 0.00 N ATOM 1568 CA PRO A 103 -0.503 8.751 9.710 1.00 0.00 C ATOM 1569 C PRO A 103 -0.556 9.740 8.549 1.00 0.00 C ATOM 1570 O PRO A 103 -1.505 10.510 8.409 1.00 0.00 O ATOM 1571 CB PRO A 103 0.399 9.289 10.826 1.00 0.00 C ATOM 1572 CG PRO A 103 1.157 8.102 11.317 1.00 0.00 C ATOM 1573 CD PRO A 103 1.346 7.214 10.121 1.00 0.00 C ATOM 0 HA PRO A 103 -1.539 8.606 10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.073 10.060 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.189 9.740 11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.117 8.398 11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.608 7.586 12.104 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.256 7.460 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.418 6.164 10.404 1.00 0.00 H new ATOM 1581 N LYS A 104 0.482 9.695 7.725 1.00 0.00 N ATOM 1582 CA LYS A 104 0.620 10.558 6.556 1.00 0.00 C ATOM 1583 C LYS A 104 2.044 10.460 6.025 1.00 0.00 C ATOM 1584 O LYS A 104 2.251 10.208 4.839 1.00 0.00 O ATOM 1585 CB LYS A 104 0.281 12.020 6.864 1.00 0.00 C ATOM 1586 CG LYS A 104 0.447 12.935 5.656 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.411 12.481 4.479 1.00 0.00 C ATOM 1588 CE LYS A 104 0.431 12.130 3.255 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.224 11.093 2.399 1.00 0.00 N ATOM 0 H LYS A 104 1.263 9.051 7.850 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.092 10.215 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.747 12.082 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.921 12.374 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.176 13.954 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.495 12.954 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.000 11.613 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.116 13.271 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.604 13.030 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.407 11.768 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.498 10.444 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.911 10.557 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.715 11.556 1.608 1.00 0.00 H new ATOM 1603 N PRO A 105 3.063 10.628 6.902 1.00 0.00 N ATOM 1604 CA PRO A 105 4.460 10.522 6.494 1.00 0.00 C ATOM 1605 C PRO A 105 4.664 9.265 5.667 1.00 0.00 C ATOM 1606 O PRO A 105 3.801 8.392 5.656 1.00 0.00 O ATOM 1607 CB PRO A 105 5.239 10.444 7.819 1.00 0.00 C ATOM 1608 CG PRO A 105 4.206 10.307 8.891 1.00 0.00 C ATOM 1609 CD PRO A 105 2.947 10.907 8.341 1.00 0.00 C ATOM 0 HA PRO A 105 4.789 11.358 5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.921 9.594 7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.844 11.338 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.055 9.260 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.518 10.822 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.057 10.449 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.885 11.976 8.543 1.00 0.00 H new ATOM 1617 N PHE A 106 5.770 9.179 4.950 1.00 0.00 N ATOM 1618 CA PHE A 106 6.014 8.028 4.107 1.00 0.00 C ATOM 1619 C PHE A 106 7.458 8.028 3.615 1.00 0.00 C ATOM 1620 O PHE A 106 8.343 7.508 4.292 1.00 0.00 O ATOM 1621 CB PHE A 106 5.021 8.051 2.937 1.00 0.00 C ATOM 1622 CG PHE A 106 4.932 6.766 2.170 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.868 6.460 1.197 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.905 5.873 2.413 1.00 0.00 C ATOM 1625 CE1 PHE A 106 5.781 5.284 0.480 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.813 4.697 1.701 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.751 4.401 0.733 1.00 0.00 C ATOM 0 H PHE A 106 6.505 9.886 4.935 1.00 0.00 H new ATOM 0 HA PHE A 106 5.866 7.110 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.032 8.299 3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.305 8.849 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.675 7.149 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.167 6.099 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.517 5.055 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.007 4.007 1.900 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.679 3.480 0.174 1.00 0.00 H new ATOM 1637 N ASP A 107 7.704 8.619 2.444 1.00 0.00 N ATOM 1638 CA ASP A 107 9.052 8.680 1.890 1.00 0.00 C ATOM 1639 C ASP A 107 9.785 7.355 2.080 1.00 0.00 C ATOM 1640 O ASP A 107 9.191 6.355 2.479 1.00 0.00 O ATOM 1641 CB ASP A 107 9.842 9.817 2.541 1.00 0.00 C ATOM 1642 CG ASP A 107 10.104 9.575 4.015 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.083 8.871 4.332 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.330 10.089 4.850 1.00 0.00 O ATOM 0 H ASP A 107 6.989 9.060 1.865 1.00 0.00 H new ATOM 0 HA ASP A 107 8.969 8.872 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.793 9.938 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.293 10.751 2.422 1.00 0.00 H new ATOM 1649 N ILE A 108 11.068 7.345 1.781 1.00 0.00 N ATOM 1650 CA ILE A 108 11.864 6.138 1.921 1.00 0.00 C ATOM 1651 C ILE A 108 12.047 5.731 3.372 1.00 0.00 C ATOM 1652 O ILE A 108 11.842 4.576 3.739 1.00 0.00 O ATOM 1653 CB ILE A 108 13.219 6.290 1.201 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.044 6.011 -0.293 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.299 5.378 1.780 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.755 6.560 -0.871 1.00 0.00 C ATOM 0 H ILE A 108 11.583 8.157 1.440 1.00 0.00 H new ATOM 0 HA ILE A 108 11.312 5.330 1.441 1.00 0.00 H new ATOM 0 HB ILE A 108 13.553 7.316 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.886 6.441 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.076 4.934 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.231 5.527 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.451 5.617 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.986 4.338 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.703 6.323 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.905 6.111 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.729 7.642 -0.739 1.00 0.00 H new ATOM 1668 N ASP A 109 12.456 6.680 4.185 1.00 0.00 N ATOM 1669 CA ASP A 109 12.697 6.417 5.594 1.00 0.00 C ATOM 1670 C ASP A 109 11.508 5.721 6.253 1.00 0.00 C ATOM 1671 O ASP A 109 11.660 4.652 6.837 1.00 0.00 O ATOM 1672 CB ASP A 109 13.018 7.717 6.335 1.00 0.00 C ATOM 1673 CG ASP A 109 14.402 8.245 6.010 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.369 7.829 6.682 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.519 9.076 5.085 1.00 0.00 O ATOM 0 H ASP A 109 12.630 7.643 3.898 1.00 0.00 H new ATOM 0 HA ASP A 109 13.554 5.747 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.275 8.472 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.940 7.548 7.409 1.00 0.00 H new ATOM 1680 N GLU A 110 10.338 6.346 6.180 1.00 0.00 N ATOM 1681 CA GLU A 110 9.137 5.799 6.800 1.00 0.00 C ATOM 1682 C GLU A 110 8.528 4.640 6.015 1.00 0.00 C ATOM 1683 O GLU A 110 7.916 3.745 6.605 1.00 0.00 O ATOM 1684 CB GLU A 110 8.093 6.903 6.998 1.00 0.00 C ATOM 1685 CG GLU A 110 8.622 8.111 7.752 1.00 0.00 C ATOM 1686 CD GLU A 110 8.248 8.091 9.219 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.236 7.445 9.565 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.966 8.722 10.023 1.00 0.00 O ATOM 0 H GLU A 110 10.196 7.233 5.697 1.00 0.00 H new ATOM 0 HA GLU A 110 9.443 5.398 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.727 7.225 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.240 6.492 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.707 8.147 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.232 9.020 7.294 1.00 0.00 H new ATOM 1695 N ALA A 111 8.681 4.641 4.697 1.00 0.00 N ATOM 1696 CA ALA A 111 8.113 3.569 3.894 1.00 0.00 C ATOM 1697 C ALA A 111 9.037 2.364 3.862 1.00 0.00 C ATOM 1698 O ALA A 111 8.644 1.265 4.251 1.00 0.00 O ATOM 1699 CB ALA A 111 7.793 4.049 2.490 1.00 0.00 C ATOM 0 H ALA A 111 9.183 5.357 4.171 1.00 0.00 H new ATOM 0 HA ALA A 111 7.178 3.261 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.370 3.227 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.073 4.866 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.706 4.399 2.008 1.00 0.00 H new ATOM 1705 N VAL A 112 10.274 2.571 3.418 1.00 0.00 N ATOM 1706 CA VAL A 112 11.240 1.483 3.371 1.00 0.00 C ATOM 1707 C VAL A 112 11.358 0.833 4.741 1.00 0.00 C ATOM 1708 O VAL A 112 11.614 -0.366 4.864 1.00 0.00 O ATOM 1709 CB VAL A 112 12.625 1.960 2.921 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.570 0.777 2.790 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.523 2.724 1.612 1.00 0.00 C ATOM 0 H VAL A 112 10.626 3.471 3.090 1.00 0.00 H new ATOM 0 HA VAL A 112 10.877 0.761 2.640 1.00 0.00 H new ATOM 0 HB VAL A 112 13.027 2.636 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.551 1.129 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.661 0.276 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.177 0.077 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.515 3.056 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.105 2.074 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.876 3.591 1.746 1.00 0.00 H new ATOM 1721 N ALA A 113 11.145 1.636 5.768 1.00 0.00 N ATOM 1722 CA ALA A 113 11.192 1.151 7.133 1.00 0.00 C ATOM 1723 C ALA A 113 10.146 0.067 7.324 1.00 0.00 C ATOM 1724 O ALA A 113 10.442 -1.043 7.767 1.00 0.00 O ATOM 1725 CB ALA A 113 10.925 2.291 8.100 1.00 0.00 C ATOM 0 H ALA A 113 10.937 2.631 5.680 1.00 0.00 H new ATOM 0 HA ALA A 113 12.182 0.741 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.962 1.917 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.682 3.064 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.939 2.711 7.903 1.00 0.00 H new ATOM 1731 N LEU A 114 8.913 0.422 6.992 1.00 0.00 N ATOM 1732 CA LEU A 114 7.783 -0.482 7.121 1.00 0.00 C ATOM 1733 C LEU A 114 7.811 -1.607 6.084 1.00 0.00 C ATOM 1734 O LEU A 114 7.187 -2.646 6.289 1.00 0.00 O ATOM 1735 CB LEU A 114 6.476 0.302 7.005 1.00 0.00 C ATOM 1736 CG LEU A 114 5.208 -0.510 7.271 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.864 -0.496 8.753 1.00 0.00 C ATOM 1738 CD2 LEU A 114 4.048 0.029 6.448 1.00 0.00 C ATOM 0 H LEU A 114 8.670 1.343 6.627 1.00 0.00 H new ATOM 0 HA LEU A 114 7.852 -0.949 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.508 1.137 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.413 0.728 6.003 1.00 0.00 H new ATOM 0 HG LEU A 114 5.392 -1.542 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.959 -1.079 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.687 -0.930 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.700 0.531 9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.154 -0.561 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.865 1.070 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.293 -0.035 5.388 1.00 0.00 H new ATOM 1750 N VAL A 115 8.513 -1.404 4.969 1.00 0.00 N ATOM 1751 CA VAL A 115 8.567 -2.437 3.934 1.00 0.00 C ATOM 1752 C VAL A 115 9.561 -3.543 4.283 1.00 0.00 C ATOM 1753 O VAL A 115 9.222 -4.725 4.229 1.00 0.00 O ATOM 1754 CB VAL A 115 8.889 -1.871 2.527 1.00 0.00 C ATOM 1755 CG1 VAL A 115 10.367 -1.559 2.374 1.00 0.00 C ATOM 1756 CG2 VAL A 115 8.439 -2.852 1.453 1.00 0.00 C ATOM 0 H VAL A 115 9.040 -0.556 4.761 1.00 0.00 H new ATOM 0 HA VAL A 115 7.563 -2.861 3.899 1.00 0.00 H new ATOM 0 HB VAL A 115 8.342 -0.936 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.554 -1.164 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.661 -0.819 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.948 -2.470 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.670 -2.445 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.960 -3.800 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.364 -3.014 1.536 1.00 0.00 H new ATOM 1766 N GLU A 116 10.785 -3.166 4.642 1.00 0.00 N ATOM 1767 CA GLU A 116 11.800 -4.149 5.000 1.00 0.00 C ATOM 1768 C GLU A 116 11.358 -4.925 6.232 1.00 0.00 C ATOM 1769 O GLU A 116 11.424 -6.154 6.265 1.00 0.00 O ATOM 1770 CB GLU A 116 13.146 -3.467 5.256 1.00 0.00 C ATOM 1771 CG GLU A 116 13.794 -2.901 4.003 1.00 0.00 C ATOM 1772 CD GLU A 116 15.305 -2.821 4.113 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.801 -2.373 5.169 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.992 -3.205 3.143 1.00 0.00 O ATOM 0 H GLU A 116 11.095 -2.196 4.692 1.00 0.00 H new ATOM 0 HA GLU A 116 11.922 -4.843 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.003 -2.661 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.826 -4.186 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.528 -3.523 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.394 -1.906 3.810 1.00 0.00 H new ATOM 1781 N ARG A 117 10.885 -4.199 7.239 1.00 0.00 N ATOM 1782 CA ARG A 117 10.407 -4.821 8.466 1.00 0.00 C ATOM 1783 C ARG A 117 9.174 -5.671 8.179 1.00 0.00 C ATOM 1784 O ARG A 117 8.881 -6.626 8.898 1.00 0.00 O ATOM 1785 CB ARG A 117 10.071 -3.754 9.511 1.00 0.00 C ATOM 1786 CG ARG A 117 11.279 -2.970 9.999 1.00 0.00 C ATOM 1787 CD ARG A 117 10.902 -1.996 11.104 1.00 0.00 C ATOM 1788 NE ARG A 117 11.769 -2.127 12.272 1.00 0.00 N ATOM 1789 CZ ARG A 117 11.685 -3.122 13.151 1.00 0.00 C ATOM 1790 NH1 ARG A 117 10.784 -4.084 12.993 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.507 -3.157 14.192 1.00 0.00 N ATOM 0 H ARG A 117 10.823 -3.181 7.229 1.00 0.00 H new ATOM 0 HA ARG A 117 11.197 -5.461 8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.346 -3.059 9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.592 -4.233 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 117 12.039 -3.661 10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 117 11.720 -2.423 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.960 -0.976 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.867 -2.168 11.400 1.00 0.00 H new ATOM 0 HE ARG A 117 12.482 -1.413 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.151 -4.063 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.725 -4.844 13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.202 -2.421 14.318 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.443 -3.919 14.867 1.00 0.00 H new ATOM 1805 N ALA A 118 8.461 -5.311 7.118 1.00 0.00 N ATOM 1806 CA ALA A 118 7.260 -6.028 6.716 1.00 0.00 C ATOM 1807 C ALA A 118 7.602 -7.412 6.177 1.00 0.00 C ATOM 1808 O ALA A 118 7.063 -8.420 6.631 1.00 0.00 O ATOM 1809 CB ALA A 118 6.503 -5.230 5.666 1.00 0.00 C ATOM 0 H ALA A 118 8.697 -4.521 6.518 1.00 0.00 H new ATOM 0 HA ALA A 118 6.628 -6.153 7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.606 -5.775 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.220 -4.262 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.139 -5.081 4.794 1.00 0.00 H new ATOM 1815 N ILE A 119 8.502 -7.448 5.202 1.00 0.00 N ATOM 1816 CA ILE A 119 8.922 -8.701 4.591 1.00 0.00 C ATOM 1817 C ILE A 119 9.673 -9.572 5.588 1.00 0.00 C ATOM 1818 O ILE A 119 9.621 -10.800 5.525 1.00 0.00 O ATOM 1819 CB ILE A 119 9.818 -8.445 3.367 1.00 0.00 C ATOM 1820 CG1 ILE A 119 9.154 -7.444 2.421 1.00 0.00 C ATOM 1821 CG2 ILE A 119 10.118 -9.745 2.638 1.00 0.00 C ATOM 1822 CD1 ILE A 119 10.136 -6.494 1.777 1.00 0.00 C ATOM 0 H ILE A 119 8.956 -6.620 4.817 1.00 0.00 H new ATOM 0 HA ILE A 119 8.020 -9.222 4.271 1.00 0.00 H new ATOM 0 HB ILE A 119 10.761 -8.023 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.621 -7.989 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 119 8.411 -6.869 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.753 -9.541 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.631 -10.430 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.185 -10.198 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 119 9.602 -5.810 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.652 -5.924 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 119 10.864 -7.061 1.198 1.00 0.00 H new ATOM 1834 N SER A 120 10.370 -8.922 6.506 1.00 0.00 N ATOM 1835 CA SER A 120 11.142 -9.619 7.526 1.00 0.00 C ATOM 1836 C SER A 120 10.227 -10.302 8.537 1.00 0.00 C ATOM 1837 O SER A 120 10.460 -11.447 8.923 1.00 0.00 O ATOM 1838 CB SER A 120 12.075 -8.639 8.241 1.00 0.00 C ATOM 1839 OG SER A 120 11.413 -7.989 9.313 1.00 0.00 O ATOM 0 H SER A 120 10.418 -7.905 6.567 1.00 0.00 H new ATOM 0 HA SER A 120 11.738 -10.387 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.947 -9.173 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.439 -7.896 7.531 1.00 0.00 H new ATOM 0 HG SER A 120 10.581 -7.586 8.988 1.00 0.00 H new ATOM 1845 N HIS A 121 9.189 -9.592 8.963 1.00 0.00 N ATOM 1846 CA HIS A 121 8.241 -10.131 9.933 1.00 0.00 C ATOM 1847 C HIS A 121 7.488 -11.322 9.354 1.00 0.00 C ATOM 1848 O HIS A 121 7.092 -12.234 10.079 1.00 0.00 O ATOM 1849 CB HIS A 121 7.251 -9.048 10.366 1.00 0.00 C ATOM 1850 CG HIS A 121 7.627 -8.369 11.647 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.409 -7.235 11.696 1.00 0.00 N ATOM 1852 CD2 HIS A 121 7.320 -8.668 12.931 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.569 -6.865 12.954 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.918 -7.718 13.724 1.00 0.00 N ATOM 0 H HIS A 121 8.982 -8.643 8.653 1.00 0.00 H new ATOM 0 HA HIS A 121 8.803 -10.469 10.804 1.00 0.00 H new ATOM 0 HB2 HIS A 121 7.176 -8.300 9.577 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.263 -9.494 10.478 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.803 -6.756 10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.718 -9.498 13.269 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.135 -6.011 13.295 1.00 0.00 H new ATOM 1863 N TYR A 122 7.292 -11.301 8.045 1.00 0.00 N ATOM 1864 CA TYR A 122 6.585 -12.371 7.359 1.00 0.00 C ATOM 1865 C TYR A 122 7.454 -13.621 7.244 1.00 0.00 C ATOM 1866 O TYR A 122 7.057 -14.705 7.672 1.00 0.00 O ATOM 1867 CB TYR A 122 6.138 -11.910 5.971 1.00 0.00 C ATOM 1868 CG TYR A 122 4.644 -11.716 5.851 1.00 0.00 C ATOM 1869 CD1 TYR A 122 3.759 -12.632 6.406 1.00 0.00 C ATOM 1870 CD2 TYR A 122 4.116 -10.617 5.184 1.00 0.00 C ATOM 1871 CE1 TYR A 122 2.391 -12.459 6.299 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.751 -10.437 5.073 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.893 -11.361 5.632 1.00 0.00 C ATOM 1874 OH TYR A 122 0.532 -11.186 5.523 1.00 0.00 O ATOM 0 H TYR A 122 7.614 -10.551 7.434 1.00 0.00 H new ATOM 0 HA TYR A 122 5.704 -12.623 7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 122 6.638 -10.972 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 122 6.461 -12.643 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.146 -13.494 6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.784 -9.891 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 122 1.717 -13.181 6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.358 -9.577 4.551 1.00 0.00 H new ATOM 0 HH TYR A 122 0.347 -10.363 5.025 1.00 0.00 H new ATOM 1884 N GLN A 123 8.641 -13.463 6.663 1.00 0.00 N ATOM 1885 CA GLN A 123 9.562 -14.582 6.493 1.00 0.00 C ATOM 1886 C GLN A 123 8.899 -15.718 5.718 1.00 0.00 C ATOM 1887 O GLN A 123 7.704 -15.667 5.428 1.00 0.00 O ATOM 1888 CB GLN A 123 10.038 -15.082 7.859 1.00 0.00 C ATOM 1889 CG GLN A 123 11.494 -15.520 7.879 1.00 0.00 C ATOM 1890 CD GLN A 123 12.443 -14.382 8.201 1.00 0.00 C ATOM 1891 OE1 GLN A 123 13.049 -13.791 7.306 1.00 0.00 O ATOM 1892 NE2 GLN A 123 12.579 -14.070 9.484 1.00 0.00 N ATOM 0 H GLN A 123 8.986 -12.573 6.303 1.00 0.00 H new ATOM 0 HA GLN A 123 10.423 -14.235 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 123 9.896 -14.290 8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.412 -15.919 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 123 11.621 -16.313 8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 123 11.756 -15.942 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.057 -14.586 10.192 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.205 -13.314 9.761 1.00 0.00 H new ATOM 1901 N GLU A 124 9.679 -16.741 5.382 1.00 0.00 N ATOM 1902 CA GLU A 124 9.161 -17.882 4.638 1.00 0.00 C ATOM 1903 C GLU A 124 10.030 -19.115 4.856 1.00 0.00 C ATOM 1904 O GLU A 124 10.163 -19.607 5.976 1.00 0.00 O ATOM 1905 CB GLU A 124 9.090 -17.552 3.147 1.00 0.00 C ATOM 1906 CG GLU A 124 7.945 -18.241 2.425 1.00 0.00 C ATOM 1907 CD GLU A 124 7.929 -17.939 0.939 1.00 0.00 C ATOM 1908 OE1 GLU A 124 7.330 -16.915 0.548 1.00 0.00 O ATOM 1909 OE2 GLU A 124 8.517 -18.725 0.167 1.00 0.00 O ATOM 0 H GLU A 124 10.671 -16.802 5.613 1.00 0.00 H new ATOM 0 HA GLU A 124 8.158 -18.099 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.988 -16.474 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.030 -17.838 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.023 -19.318 2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.000 -17.926 2.867 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.439 10.252 0.158 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.718 10.097 1.608 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.621 10.854 -0.508 1.00 0.00 F HETATM 1920 F3 BEF A 125 -1.261 11.137 -0.034 1.00 0.00 F