USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 165:sc= 0.166 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.357 K(o=0.52,f=-0.75!) USER MOD Set 2.1: A 110 GLN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.2: A 113 GLN :FLIP amide:sc= -1.26! F(o=-2.2,f=-1.3!) USER MOD Set 3.1: A 8 CYS SG : rot 144:sc= -3.73! USER MOD Set 3.2: A 32 GLN : amide:sc= -1.42! C(o=-5.5!,f=-8.2!) USER MOD Set 3.3: A 34 CYS SG : rot 34:sc= -0.337 USER MOD Single : A 4 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 104:sc= 0.0995 USER MOD Single : A 18 GLN : amide:sc= -6.01! C(o=-6!,f=-11!) USER MOD Single : A 20 CYS SG : rot 85:sc= -4.41! USER MOD Single : A 21 GLN : amide:sc= -9.55! C(o=-9.6!,f=-13!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 150:sc= -0.87 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 36 SER OG : rot -165:sc= -1.96 USER MOD Single : A 39 MET CE :methyl 139:sc= -0.374 (180deg=-1.79!) USER MOD Single : A 43 TYR OH : rot 180:sc= -3.32! USER MOD Single : A 45 GLN : amide:sc= -3.23! C(o=-3.2!,f=-5.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -3.94! C(o=-5.8!,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) USER MOD Single : A 53 CYS SG : rot -19:sc= 0.07 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 68 GLN : amide:sc= -2.15! C(o=-2.1!,f=-5.6!) USER MOD Single : A 69 GLN : amide:sc= -1.97! C(o=-2!,f=-6!) USER MOD Single : A 71 CYS SG : rot 32:sc= -4.29! USER MOD Single : A 99 TYR OH : rot -9:sc= 0.173 USER MOD Single : A 100 HIS : +bothHN:sc= -19.3! C(o=-19!,f=-22!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.646 F(o=-2.3,f=-0.65) USER MOD Single : A 109 HIS : no HD1:sc= -0.61 X(o=-0.61,f=-0.65) USER MOD Single : A 133 THR OG1 : rot 160:sc= 0.0673 USER MOD Single : A 134 MET CE :methyl -160:sc= -0.0749 (180deg=-0.857) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.155 4.731 15.617 1.00 0.00 N ATOM 51 CA GLN A 4 4.028 4.319 14.485 1.00 0.00 C ATOM 52 C GLN A 4 3.190 4.107 13.225 1.00 0.00 C ATOM 53 O GLN A 4 1.975 4.097 13.267 1.00 0.00 O ATOM 54 CB GLN A 4 4.676 3.014 14.936 1.00 0.00 C ATOM 55 CG GLN A 4 5.628 3.308 16.094 1.00 0.00 C ATOM 56 CD GLN A 4 6.507 2.084 16.357 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.013 1.024 16.682 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.801 2.189 16.224 1.00 0.00 N ATOM 0 HA GLN A 4 4.775 5.074 14.241 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.912 2.302 15.248 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.219 2.557 14.109 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.250 4.171 15.857 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.061 3.560 16.990 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.215 3.080 15.951 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.398 1.380 16.393 1.00 0.00 H new ATOM 67 N ILE A 5 3.828 3.941 12.103 1.00 0.00 N ATOM 68 CA ILE A 5 3.071 3.735 10.840 1.00 0.00 C ATOM 69 C ILE A 5 3.188 2.276 10.393 1.00 0.00 C ATOM 70 O ILE A 5 4.263 1.711 10.372 1.00 0.00 O ATOM 71 CB ILE A 5 3.748 4.663 9.833 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.655 6.110 10.328 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.043 4.543 8.486 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.599 6.987 9.505 1.00 0.00 C ATOM 0 H ILE A 5 4.843 3.939 12.006 1.00 0.00 H new ATOM 0 HA ILE A 5 2.007 3.949 10.945 1.00 0.00 H new ATOM 0 HB ILE A 5 4.796 4.383 9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.631 6.473 10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.919 6.163 11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.523 5.204 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.105 3.514 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.996 4.826 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.536 8.018 9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.622 6.628 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.314 6.942 8.454 1.00 0.00 H new ATOM 86 N ALA A 6 2.093 1.659 10.039 1.00 0.00 N ATOM 87 CA ALA A 6 2.155 0.241 9.600 1.00 0.00 C ATOM 88 C ALA A 6 2.293 0.165 8.085 1.00 0.00 C ATOM 89 O ALA A 6 1.432 0.603 7.349 1.00 0.00 O ATOM 90 CB ALA A 6 0.832 -0.369 10.048 1.00 0.00 C ATOM 0 H ALA A 6 1.162 2.076 10.036 1.00 0.00 H new ATOM 0 HA ALA A 6 3.010 -0.286 10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.800 -1.420 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.742 -0.287 11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.007 0.163 9.574 1.00 0.00 H new ATOM 96 N ILE A 7 3.367 -0.392 7.611 1.00 0.00 N ATOM 97 CA ILE A 7 3.553 -0.497 6.142 1.00 0.00 C ATOM 98 C ILE A 7 3.678 -1.964 5.736 1.00 0.00 C ATOM 99 O ILE A 7 4.552 -2.675 6.189 1.00 0.00 O ATOM 100 CB ILE A 7 4.842 0.262 5.846 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.712 1.691 6.378 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.083 0.303 4.335 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.867 2.538 5.849 1.00 0.00 C ATOM 0 H ILE A 7 4.123 -0.779 8.176 1.00 0.00 H new ATOM 0 HA ILE A 7 2.711 -0.085 5.586 1.00 0.00 H new ATOM 0 HB ILE A 7 5.680 -0.240 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.760 2.121 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.719 1.687 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.005 0.846 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.168 -0.714 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.248 0.806 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.775 3.556 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.813 2.111 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.839 2.552 4.759 1.00 0.00 H new ATOM 115 N CYS A 8 2.806 -2.423 4.885 1.00 0.00 N ATOM 116 CA CYS A 8 2.867 -3.844 4.448 1.00 0.00 C ATOM 117 C CYS A 8 3.423 -3.926 3.027 1.00 0.00 C ATOM 118 O CYS A 8 2.743 -3.628 2.069 1.00 0.00 O ATOM 119 CB CYS A 8 1.416 -4.321 4.484 1.00 0.00 C ATOM 120 SG CYS A 8 1.335 -6.063 3.996 1.00 0.00 S ATOM 0 H CYS A 8 2.052 -1.874 4.472 1.00 0.00 H new ATOM 0 HA CYS A 8 3.514 -4.452 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.006 -4.194 5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.807 -3.716 3.812 1.00 0.00 H new ATOM 0 HG CYS A 8 0.409 -6.664 4.683 1.00 0.00 H new ATOM 126 N ILE A 9 4.657 -4.315 2.877 1.00 0.00 N ATOM 127 CA ILE A 9 5.229 -4.394 1.502 1.00 0.00 C ATOM 128 C ILE A 9 5.173 -5.813 0.950 1.00 0.00 C ATOM 129 O ILE A 9 5.314 -6.787 1.665 1.00 0.00 O ATOM 130 CB ILE A 9 6.688 -3.981 1.635 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.379 -4.136 0.275 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.372 -4.891 2.649 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.803 -3.577 0.343 1.00 0.00 C ATOM 0 H ILE A 9 5.288 -4.579 3.634 1.00 0.00 H new ATOM 0 HA ILE A 9 4.664 -3.756 0.822 1.00 0.00 H new ATOM 0 HB ILE A 9 6.751 -2.944 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.406 -5.188 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.810 -3.612 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.418 -4.602 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.875 -4.798 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.313 -5.925 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.286 -3.692 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.767 -2.520 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.372 -4.121 1.097 1.00 0.00 H new ATOM 145 N TRP A 10 5.019 -5.926 -0.334 1.00 0.00 N ATOM 146 CA TRP A 10 5.013 -7.274 -0.968 1.00 0.00 C ATOM 147 C TRP A 10 6.101 -7.319 -2.035 1.00 0.00 C ATOM 148 O TRP A 10 5.987 -6.710 -3.079 1.00 0.00 O ATOM 149 CB TRP A 10 3.642 -7.461 -1.616 1.00 0.00 C ATOM 150 CG TRP A 10 3.700 -8.693 -2.466 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.548 -9.729 -2.263 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.914 -9.035 -3.643 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.337 -10.681 -3.242 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.336 -10.302 -4.114 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.886 -8.378 -4.337 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.762 -10.892 -5.239 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.304 -8.970 -5.468 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.741 -10.225 -5.918 1.00 0.00 C ATOM 0 H TRP A 10 4.896 -5.143 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 10 5.201 -8.061 -0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.870 -7.559 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.384 -6.592 -2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.272 -9.800 -1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.857 -11.556 -3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.541 -7.412 -3.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.104 -11.857 -5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.514 -8.456 -5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.288 -10.675 -6.789 1.00 0.00 H new ATOM 169 N VAL A 11 7.162 -8.019 -1.776 1.00 0.00 N ATOM 170 CA VAL A 11 8.263 -8.080 -2.770 1.00 0.00 C ATOM 171 C VAL A 11 9.066 -9.372 -2.562 1.00 0.00 C ATOM 172 O VAL A 11 9.456 -9.700 -1.460 1.00 0.00 O ATOM 173 CB VAL A 11 9.086 -6.824 -2.465 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.642 -6.914 -1.048 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.234 -6.683 -3.464 1.00 0.00 C ATOM 0 H VAL A 11 7.316 -8.552 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 11 7.933 -8.100 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 11 8.442 -5.949 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.228 -6.021 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.818 -6.990 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.278 -7.795 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.809 -5.786 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.883 -7.556 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.830 -6.606 -4.474 1.00 0.00 H new ATOM 185 N GLU A 12 9.288 -10.122 -3.608 1.00 0.00 N ATOM 186 CA GLU A 12 10.041 -11.407 -3.457 1.00 0.00 C ATOM 187 C GLU A 12 11.545 -11.194 -3.652 1.00 0.00 C ATOM 188 O GLU A 12 12.311 -12.135 -3.719 1.00 0.00 O ATOM 189 CB GLU A 12 9.482 -12.324 -4.544 1.00 0.00 C ATOM 190 CG GLU A 12 8.108 -12.845 -4.124 1.00 0.00 C ATOM 191 CD GLU A 12 7.688 -13.979 -5.060 1.00 0.00 C ATOM 192 OE1 GLU A 12 8.187 -15.079 -4.884 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.877 -13.729 -5.934 1.00 0.00 O ATOM 0 H GLU A 12 8.984 -9.905 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 12 9.921 -11.829 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.403 -11.781 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.162 -13.159 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.141 -13.202 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.375 -12.039 -4.159 1.00 0.00 H new ATOM 200 N SER A 13 11.975 -9.972 -3.731 1.00 0.00 N ATOM 201 CA SER A 13 13.429 -9.701 -3.907 1.00 0.00 C ATOM 202 C SER A 13 13.965 -8.974 -2.671 1.00 0.00 C ATOM 203 O SER A 13 13.432 -7.964 -2.257 1.00 0.00 O ATOM 204 CB SER A 13 13.523 -8.807 -5.144 1.00 0.00 C ATOM 205 OG SER A 13 14.785 -9.002 -5.769 1.00 0.00 O ATOM 0 H SER A 13 11.383 -9.143 -3.681 1.00 0.00 H new ATOM 0 HA SER A 13 14.015 -10.612 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.719 -9.044 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.402 -7.761 -4.861 1.00 0.00 H new ATOM 0 HG SER A 13 14.848 -8.432 -6.563 1.00 0.00 H new ATOM 211 N THR A 14 15.003 -9.486 -2.069 1.00 0.00 N ATOM 212 CA THR A 14 15.556 -8.828 -0.851 1.00 0.00 C ATOM 213 C THR A 14 16.011 -7.400 -1.164 1.00 0.00 C ATOM 214 O THR A 14 15.703 -6.473 -0.441 1.00 0.00 O ATOM 215 CB THR A 14 16.749 -9.690 -0.441 1.00 0.00 C ATOM 216 OG1 THR A 14 16.499 -11.039 -0.799 1.00 0.00 O ATOM 217 CG2 THR A 14 16.955 -9.594 1.070 1.00 0.00 C ATOM 0 H THR A 14 15.492 -10.330 -2.367 1.00 0.00 H new ATOM 0 HA THR A 14 14.812 -8.751 -0.058 1.00 0.00 H new ATOM 0 HB THR A 14 17.645 -9.337 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 14 17.017 -11.266 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.806 -10.209 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.146 -8.557 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.060 -9.947 1.582 1.00 0.00 H new ATOM 225 N ALA A 15 16.746 -7.209 -2.226 1.00 0.00 N ATOM 226 CA ALA A 15 17.213 -5.831 -2.557 1.00 0.00 C ATOM 227 C ALA A 15 16.018 -4.882 -2.621 1.00 0.00 C ATOM 228 O ALA A 15 15.988 -3.860 -1.963 1.00 0.00 O ATOM 229 CB ALA A 15 17.879 -5.942 -3.929 1.00 0.00 C ATOM 0 H ALA A 15 17.041 -7.939 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 15 17.902 -5.440 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.247 -4.963 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.713 -6.641 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.153 -6.301 -4.658 1.00 0.00 H new ATOM 235 N ILE A 16 15.022 -5.221 -3.392 1.00 0.00 N ATOM 236 CA ILE A 16 13.821 -4.346 -3.478 1.00 0.00 C ATOM 237 C ILE A 16 13.198 -4.224 -2.089 1.00 0.00 C ATOM 238 O ILE A 16 12.870 -3.147 -1.634 1.00 0.00 O ATOM 239 CB ILE A 16 12.880 -5.062 -4.456 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.529 -5.100 -5.846 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.545 -4.317 -4.537 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.710 -5.999 -6.775 1.00 0.00 C ATOM 0 H ILE A 16 14.988 -6.064 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 16 14.043 -3.335 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 16 12.700 -6.078 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.587 -4.093 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.550 -5.473 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.883 -4.832 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.083 -4.289 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.717 -3.299 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.175 -6.023 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.675 -7.009 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.697 -5.607 -6.861 1.00 0.00 H new ATOM 254 N LEU A 17 13.061 -5.324 -1.400 1.00 0.00 N ATOM 255 CA LEU A 17 12.490 -5.283 -0.023 1.00 0.00 C ATOM 256 C LEU A 17 13.384 -4.418 0.868 1.00 0.00 C ATOM 257 O LEU A 17 12.914 -3.611 1.645 1.00 0.00 O ATOM 258 CB LEU A 17 12.490 -6.753 0.438 1.00 0.00 C ATOM 259 CG LEU A 17 12.508 -6.868 1.970 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.955 -6.818 2.450 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.706 -5.729 2.612 1.00 0.00 C ATOM 0 H LEU A 17 13.321 -6.253 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 17 11.490 -4.852 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.607 -7.257 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.359 -7.264 0.024 1.00 0.00 H new ATOM 0 HG LEU A 17 12.048 -7.812 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.981 -6.899 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.513 -7.645 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.407 -5.874 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.733 -5.831 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.142 -4.771 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.672 -5.774 2.269 1.00 0.00 H new ATOM 273 N GLN A 18 14.670 -4.585 0.757 1.00 0.00 N ATOM 274 CA GLN A 18 15.600 -3.776 1.597 1.00 0.00 C ATOM 275 C GLN A 18 15.582 -2.306 1.170 1.00 0.00 C ATOM 276 O GLN A 18 15.467 -1.419 1.991 1.00 0.00 O ATOM 277 CB GLN A 18 16.985 -4.381 1.366 1.00 0.00 C ATOM 278 CG GLN A 18 17.074 -5.732 2.078 1.00 0.00 C ATOM 279 CD GLN A 18 18.394 -6.417 1.722 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.402 -7.449 1.082 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.519 -5.886 2.115 1.00 0.00 N ATOM 0 H GLN A 18 15.120 -5.245 0.123 1.00 0.00 H new ATOM 0 HA GLN A 18 15.313 -3.799 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.165 -4.507 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.755 -3.708 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.006 -5.591 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.235 -6.364 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.513 -5.019 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.404 -6.338 1.885 1.00 0.00 H new ATOM 290 N ASP A 19 15.692 -2.031 -0.102 1.00 0.00 N ATOM 291 CA ASP A 19 15.676 -0.607 -0.540 1.00 0.00 C ATOM 292 C ASP A 19 14.306 0.009 -0.245 1.00 0.00 C ATOM 293 O ASP A 19 14.203 1.145 0.179 1.00 0.00 O ATOM 294 CB ASP A 19 15.959 -0.639 -2.043 1.00 0.00 C ATOM 295 CG ASP A 19 17.416 -1.052 -2.278 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.989 -1.665 -1.392 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.935 -0.744 -3.340 1.00 0.00 O ATOM 0 H ASP A 19 15.791 -2.721 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 19 16.415 -0.000 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.286 -1.341 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.772 0.342 -2.480 1.00 0.00 H new ATOM 302 N CYS A 20 13.252 -0.736 -0.450 1.00 0.00 N ATOM 303 CA CYS A 20 11.890 -0.197 -0.167 1.00 0.00 C ATOM 304 C CYS A 20 11.735 0.069 1.332 1.00 0.00 C ATOM 305 O CYS A 20 11.136 1.044 1.743 1.00 0.00 O ATOM 306 CB CYS A 20 10.921 -1.295 -0.607 1.00 0.00 C ATOM 307 SG CYS A 20 10.910 -1.409 -2.414 1.00 0.00 S ATOM 0 H CYS A 20 13.276 -1.693 -0.801 1.00 0.00 H new ATOM 0 HA CYS A 20 11.705 0.742 -0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.218 -2.250 -0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.918 -1.077 -0.240 1.00 0.00 H new ATOM 0 HG CYS A 20 11.883 -2.177 -2.806 1.00 0.00 H new ATOM 313 N GLN A 21 12.276 -0.792 2.152 1.00 0.00 N ATOM 314 CA GLN A 21 12.166 -0.593 3.623 1.00 0.00 C ATOM 315 C GLN A 21 13.282 0.328 4.099 1.00 0.00 C ATOM 316 O GLN A 21 13.107 1.125 5.000 1.00 0.00 O ATOM 317 CB GLN A 21 12.309 -1.992 4.224 1.00 0.00 C ATOM 318 CG GLN A 21 11.034 -2.793 3.945 1.00 0.00 C ATOM 319 CD GLN A 21 11.017 -4.057 4.807 1.00 0.00 C ATOM 320 OE1 GLN A 21 9.969 -4.621 5.057 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.139 -4.530 5.274 1.00 0.00 N ATOM 0 H GLN A 21 12.790 -1.625 1.865 1.00 0.00 H new ATOM 0 HA GLN A 21 11.225 -0.129 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.173 -2.499 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.482 -1.923 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.156 -2.183 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.985 -3.061 2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.018 -4.057 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.137 -5.373 5.849 1.00 0.00 H new ATOM 330 N ARG A 22 14.426 0.239 3.479 1.00 0.00 N ATOM 331 CA ARG A 22 15.549 1.124 3.873 1.00 0.00 C ATOM 332 C ARG A 22 15.041 2.559 3.929 1.00 0.00 C ATOM 333 O ARG A 22 15.091 3.209 4.953 1.00 0.00 O ATOM 334 CB ARG A 22 16.569 0.949 2.754 1.00 0.00 C ATOM 335 CG ARG A 22 17.549 2.121 2.738 1.00 0.00 C ATOM 336 CD ARG A 22 17.531 2.751 1.347 1.00 0.00 C ATOM 337 NE ARG A 22 18.554 3.832 1.395 1.00 0.00 N ATOM 338 CZ ARG A 22 19.019 4.344 0.286 1.00 0.00 C ATOM 339 NH1 ARG A 22 18.618 3.886 -0.869 1.00 0.00 N ATOM 340 NH2 ARG A 22 19.895 5.309 0.336 1.00 0.00 N ATOM 0 H ARG A 22 14.628 -0.409 2.718 1.00 0.00 H new ATOM 0 HA ARG A 22 15.976 0.891 4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.112 0.014 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.057 0.882 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.270 2.858 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.554 1.778 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.771 2.016 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.546 3.152 1.109 1.00 0.00 H new ATOM 0 HE ARG A 22 18.892 4.173 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.939 3.126 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.983 4.289 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.215 5.661 1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.260 5.711 -0.527 1.00 0.00 H new ATOM 354 N ALA A 23 14.516 3.048 2.843 1.00 0.00 N ATOM 355 CA ALA A 23 13.971 4.425 2.852 1.00 0.00 C ATOM 356 C ALA A 23 12.932 4.510 3.975 1.00 0.00 C ATOM 357 O ALA A 23 12.904 5.451 4.743 1.00 0.00 O ATOM 358 CB ALA A 23 13.337 4.596 1.471 1.00 0.00 C ATOM 0 H ALA A 23 14.442 2.554 1.954 1.00 0.00 H new ATOM 0 HA ALA A 23 14.712 5.204 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.906 5.594 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.099 4.466 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.554 3.850 1.335 1.00 0.00 H new ATOM 364 N LEU A 24 12.094 3.507 4.091 1.00 0.00 N ATOM 365 CA LEU A 24 11.077 3.494 5.178 1.00 0.00 C ATOM 366 C LEU A 24 11.684 2.897 6.452 1.00 0.00 C ATOM 367 O LEU A 24 11.286 1.843 6.906 1.00 0.00 O ATOM 368 CB LEU A 24 9.964 2.601 4.635 1.00 0.00 C ATOM 369 CG LEU A 24 9.421 3.237 3.362 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.333 2.356 2.751 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.833 4.600 3.703 1.00 0.00 C ATOM 0 H LEU A 24 12.075 2.695 3.474 1.00 0.00 H new ATOM 0 HA LEU A 24 10.716 4.489 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.346 1.601 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.170 2.492 5.374 1.00 0.00 H new ATOM 0 HG LEU A 24 10.231 3.346 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.954 2.823 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.750 1.378 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.518 2.237 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.441 5.064 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.027 4.478 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.610 5.235 4.129 1.00 0.00 H new ATOM 383 N SER A 25 12.653 3.561 7.023 1.00 0.00 N ATOM 384 CA SER A 25 13.300 3.034 8.262 1.00 0.00 C ATOM 385 C SER A 25 12.969 3.922 9.467 1.00 0.00 C ATOM 386 O SER A 25 13.320 3.608 10.588 1.00 0.00 O ATOM 387 CB SER A 25 14.800 3.067 7.968 1.00 0.00 C ATOM 388 OG SER A 25 15.231 4.418 7.865 1.00 0.00 O ATOM 0 H SER A 25 13.026 4.448 6.685 1.00 0.00 H new ATOM 0 HA SER A 25 12.951 2.032 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.348 2.558 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.012 2.534 7.041 1.00 0.00 H new ATOM 0 HG SER A 25 16.193 4.441 7.678 1.00 0.00 H new ATOM 394 N ALA A 26 12.297 5.024 9.241 1.00 0.00 N ATOM 395 CA ALA A 26 11.931 5.940 10.367 1.00 0.00 C ATOM 396 C ALA A 26 11.617 5.135 11.633 1.00 0.00 C ATOM 397 O ALA A 26 11.089 4.043 11.571 1.00 0.00 O ATOM 398 CB ALA A 26 10.686 6.686 9.881 1.00 0.00 C ATOM 0 H ALA A 26 11.984 5.330 8.320 1.00 0.00 H new ATOM 0 HA ALA A 26 12.742 6.621 10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.353 7.380 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.925 7.240 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.892 5.970 9.671 1.00 0.00 H new ATOM 404 N ASP A 27 11.956 5.660 12.777 1.00 0.00 N ATOM 405 CA ASP A 27 11.702 4.921 14.050 1.00 0.00 C ATOM 406 C ASP A 27 10.208 4.636 14.225 1.00 0.00 C ATOM 407 O ASP A 27 9.816 3.836 15.052 1.00 0.00 O ATOM 408 CB ASP A 27 12.196 5.850 15.163 1.00 0.00 C ATOM 409 CG ASP A 27 13.602 6.360 14.839 1.00 0.00 C ATOM 410 OD1 ASP A 27 13.802 6.839 13.736 1.00 0.00 O ATOM 411 OD2 ASP A 27 14.455 6.271 15.707 1.00 0.00 O ATOM 0 H ASP A 27 12.400 6.572 12.888 1.00 0.00 H new ATOM 0 HA ASP A 27 12.211 3.957 14.062 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.512 6.692 15.275 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.204 5.318 16.114 1.00 0.00 H new ATOM 416 N ARG A 28 9.369 5.283 13.464 1.00 0.00 N ATOM 417 CA ARG A 28 7.906 5.042 13.608 1.00 0.00 C ATOM 418 C ARG A 28 7.375 4.193 12.450 1.00 0.00 C ATOM 419 O ARG A 28 6.215 4.271 12.103 1.00 0.00 O ATOM 420 CB ARG A 28 7.268 6.432 13.592 1.00 0.00 C ATOM 421 CG ARG A 28 7.438 7.064 12.208 1.00 0.00 C ATOM 422 CD ARG A 28 6.833 8.470 12.221 1.00 0.00 C ATOM 423 NE ARG A 28 7.432 9.167 11.046 1.00 0.00 N ATOM 424 CZ ARG A 28 6.922 10.296 10.624 1.00 0.00 C ATOM 425 NH1 ARG A 28 5.858 10.790 11.196 1.00 0.00 N ATOM 426 NH2 ARG A 28 7.472 10.928 9.621 1.00 0.00 N ATOM 0 H ARG A 28 9.631 5.965 12.752 1.00 0.00 H new ATOM 0 HA ARG A 28 7.675 4.496 14.522 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.209 6.359 13.841 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.731 7.064 14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.494 7.112 11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.948 6.451 11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.746 8.431 12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.068 8.991 13.149 1.00 0.00 H new ATOM 0 HE ARG A 28 8.240 8.763 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.421 10.296 11.974 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.463 11.670 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.299 10.541 9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.074 11.808 9.293 1.00 0.00 H new ATOM 440 N TYR A 29 8.201 3.381 11.845 1.00 0.00 N ATOM 441 CA TYR A 29 7.705 2.543 10.716 1.00 0.00 C ATOM 442 C TYR A 29 7.611 1.070 11.111 1.00 0.00 C ATOM 443 O TYR A 29 8.503 0.511 11.716 1.00 0.00 O ATOM 444 CB TYR A 29 8.727 2.710 9.592 1.00 0.00 C ATOM 445 CG TYR A 29 8.341 3.871 8.709 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.999 4.106 8.387 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.334 4.716 8.214 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.653 5.186 7.570 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.992 5.795 7.397 1.00 0.00 C ATOM 450 CZ TYR A 29 7.652 6.033 7.073 1.00 0.00 C ATOM 451 OH TYR A 29 7.320 7.101 6.266 1.00 0.00 O ATOM 0 H TYR A 29 9.186 3.263 12.080 1.00 0.00 H new ATOM 0 HA TYR A 29 6.704 2.855 10.417 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.718 2.877 10.013 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.782 1.796 9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.230 3.452 8.770 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.369 4.535 8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.618 5.367 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.763 6.447 7.014 1.00 0.00 H new ATOM 0 HH TYR A 29 7.971 7.822 6.393 1.00 0.00 H new ATOM 461 N GLN A 30 6.542 0.436 10.723 1.00 0.00 N ATOM 462 CA GLN A 30 6.376 -1.017 11.013 1.00 0.00 C ATOM 463 C GLN A 30 6.279 -1.738 9.674 1.00 0.00 C ATOM 464 O GLN A 30 5.210 -1.911 9.123 1.00 0.00 O ATOM 465 CB GLN A 30 5.072 -1.146 11.800 1.00 0.00 C ATOM 466 CG GLN A 30 4.781 -2.626 12.059 1.00 0.00 C ATOM 467 CD GLN A 30 3.316 -2.805 12.465 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.654 -1.790 12.948 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 2.769 -3.882 12.344 1.00 0.00 N flip ATOM 0 H GLN A 30 5.769 0.864 10.213 1.00 0.00 H new ATOM 0 HA GLN A 30 7.200 -1.444 11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.150 -0.608 12.745 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.251 -0.694 11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.993 -3.210 11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.434 -3.002 12.846 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.285 -4.677 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.793 -3.992 12.620 1.00 0.00 H new ATOM 478 N LEU A 31 7.397 -2.117 9.126 1.00 0.00 N ATOM 479 CA LEU A 31 7.388 -2.778 7.795 1.00 0.00 C ATOM 480 C LEU A 31 7.075 -4.268 7.901 1.00 0.00 C ATOM 481 O LEU A 31 7.690 -4.999 8.651 1.00 0.00 O ATOM 482 CB LEU A 31 8.802 -2.582 7.258 1.00 0.00 C ATOM 483 CG LEU A 31 9.256 -1.140 7.492 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.511 -0.869 6.665 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.143 -0.174 7.071 1.00 0.00 C ATOM 0 H LEU A 31 8.320 -1.997 9.544 1.00 0.00 H new ATOM 0 HA LEU A 31 6.620 -2.353 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.486 -3.272 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.831 -2.813 6.193 1.00 0.00 H new ATOM 0 HG LEU A 31 9.476 -0.993 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.839 0.158 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.302 -1.555 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.289 -1.016 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.469 0.852 7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.919 -0.315 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.248 -0.371 7.661 1.00 0.00 H new ATOM 497 N GLN A 32 6.140 -4.721 7.121 1.00 0.00 N ATOM 498 CA GLN A 32 5.788 -6.164 7.121 1.00 0.00 C ATOM 499 C GLN A 32 6.032 -6.716 5.718 1.00 0.00 C ATOM 500 O GLN A 32 5.389 -6.313 4.769 1.00 0.00 O ATOM 501 CB GLN A 32 4.302 -6.212 7.467 1.00 0.00 C ATOM 502 CG GLN A 32 3.952 -7.584 8.045 1.00 0.00 C ATOM 503 CD GLN A 32 4.313 -8.675 7.035 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.025 -8.554 5.861 1.00 0.00 O ATOM 505 NE2 GLN A 32 4.933 -9.747 7.447 1.00 0.00 N ATOM 0 H GLN A 32 5.598 -4.147 6.476 1.00 0.00 H new ATOM 0 HA GLN A 32 6.375 -6.753 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.061 -5.431 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.705 -6.019 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.492 -7.745 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.889 -7.630 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.175 -9.849 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.176 -10.483 6.783 1.00 0.00 H new ATOM 514 N VAL A 33 6.960 -7.615 5.562 1.00 0.00 N ATOM 515 CA VAL A 33 7.233 -8.152 4.199 1.00 0.00 C ATOM 516 C VAL A 33 6.385 -9.394 3.927 1.00 0.00 C ATOM 517 O VAL A 33 6.254 -10.268 4.759 1.00 0.00 O ATOM 518 CB VAL A 33 8.719 -8.506 4.192 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.147 -8.847 2.764 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.533 -7.310 4.690 1.00 0.00 C ATOM 0 H VAL A 33 7.537 -7.999 6.310 1.00 0.00 H new ATOM 0 HA VAL A 33 6.984 -7.427 3.424 1.00 0.00 H new ATOM 0 HB VAL A 33 8.893 -9.361 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.207 -9.101 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.567 -9.696 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.973 -7.987 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.593 -7.564 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.361 -6.455 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.225 -7.058 5.705 1.00 0.00 H new ATOM 530 N CYS A 34 5.810 -9.472 2.758 1.00 0.00 N ATOM 531 CA CYS A 34 4.972 -10.657 2.415 1.00 0.00 C ATOM 532 C CYS A 34 5.698 -11.534 1.392 1.00 0.00 C ATOM 533 O CYS A 34 5.957 -11.123 0.280 1.00 0.00 O ATOM 534 CB CYS A 34 3.693 -10.077 1.810 1.00 0.00 C ATOM 535 SG CYS A 34 2.549 -9.617 3.134 1.00 0.00 S ATOM 0 H CYS A 34 5.884 -8.766 2.025 1.00 0.00 H new ATOM 0 HA CYS A 34 4.764 -11.282 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.930 -9.205 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.226 -10.809 1.151 1.00 0.00 H new ATOM 0 HG CYS A 34 3.223 -9.193 4.162 1.00 0.00 H new ATOM 541 N GLU A 35 6.029 -12.741 1.761 1.00 0.00 N ATOM 542 CA GLU A 35 6.734 -13.645 0.812 1.00 0.00 C ATOM 543 C GLU A 35 5.872 -13.890 -0.432 1.00 0.00 C ATOM 544 O GLU A 35 6.377 -14.178 -1.499 1.00 0.00 O ATOM 545 CB GLU A 35 6.951 -14.944 1.592 1.00 0.00 C ATOM 546 CG GLU A 35 7.818 -14.660 2.822 1.00 0.00 C ATOM 547 CD GLU A 35 8.111 -15.969 3.561 1.00 0.00 C ATOM 548 OE1 GLU A 35 7.558 -16.984 3.170 1.00 0.00 O ATOM 549 OE2 GLU A 35 8.884 -15.932 4.504 1.00 0.00 O ATOM 0 H GLU A 35 5.841 -13.140 2.681 1.00 0.00 H new ATOM 0 HA GLU A 35 7.675 -13.223 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.992 -15.362 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.434 -15.686 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.751 -14.185 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.307 -13.963 3.486 1.00 0.00 H new ATOM 556 N SER A 36 4.575 -13.782 -0.304 1.00 0.00 N ATOM 557 CA SER A 36 3.687 -14.017 -1.482 1.00 0.00 C ATOM 558 C SER A 36 2.688 -12.864 -1.646 1.00 0.00 C ATOM 559 O SER A 36 2.817 -11.826 -1.028 1.00 0.00 O ATOM 560 CB SER A 36 2.952 -15.321 -1.172 1.00 0.00 C ATOM 561 OG SER A 36 3.127 -15.648 0.201 1.00 0.00 O ATOM 0 H SER A 36 4.093 -13.542 0.562 1.00 0.00 H new ATOM 0 HA SER A 36 4.252 -14.076 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.891 -15.216 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.335 -16.125 -1.800 1.00 0.00 H new ATOM 0 HG SER A 36 2.869 -16.582 0.350 1.00 0.00 H new ATOM 567 N GLY A 37 1.682 -13.048 -2.462 1.00 0.00 N ATOM 568 CA GLY A 37 0.665 -11.980 -2.654 1.00 0.00 C ATOM 569 C GLY A 37 -0.581 -12.411 -1.902 1.00 0.00 C ATOM 570 O GLY A 37 -1.348 -11.607 -1.415 1.00 0.00 O ATOM 0 H GLY A 37 1.524 -13.897 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.032 -11.026 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.447 -11.841 -3.713 1.00 0.00 H new ATOM 574 N GLU A 38 -0.750 -13.695 -1.773 1.00 0.00 N ATOM 575 CA GLU A 38 -1.902 -14.234 -1.022 1.00 0.00 C ATOM 576 C GLU A 38 -1.677 -13.933 0.453 1.00 0.00 C ATOM 577 O GLU A 38 -2.577 -13.549 1.181 1.00 0.00 O ATOM 578 CB GLU A 38 -1.851 -15.737 -1.291 1.00 0.00 C ATOM 579 CG GLU A 38 -2.478 -16.046 -2.652 1.00 0.00 C ATOM 580 CD GLU A 38 -2.493 -17.560 -2.872 1.00 0.00 C ATOM 581 OE1 GLU A 38 -2.031 -18.270 -1.995 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.966 -17.985 -3.913 1.00 0.00 O ATOM 0 H GLU A 38 -0.126 -14.401 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.866 -13.812 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.818 -16.084 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.383 -16.274 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.493 -15.651 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.912 -15.558 -3.445 1.00 0.00 H new ATOM 589 N MET A 39 -0.455 -14.075 0.885 1.00 0.00 N ATOM 590 CA MET A 39 -0.127 -13.776 2.297 1.00 0.00 C ATOM 591 C MET A 39 -0.474 -12.318 2.591 1.00 0.00 C ATOM 592 O MET A 39 -0.965 -11.983 3.650 1.00 0.00 O ATOM 593 CB MET A 39 1.381 -14.023 2.410 1.00 0.00 C ATOM 594 CG MET A 39 1.634 -15.515 2.634 1.00 0.00 C ATOM 595 SD MET A 39 3.370 -15.775 3.071 1.00 0.00 S ATOM 596 CE MET A 39 3.331 -14.906 4.659 1.00 0.00 C ATOM 0 H MET A 39 0.331 -14.387 0.314 1.00 0.00 H new ATOM 0 HA MET A 39 -0.681 -14.388 3.009 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.885 -13.689 1.503 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.795 -13.444 3.236 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.988 -15.889 3.429 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.387 -16.076 1.732 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.911 -15.465 5.394 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.759 -13.911 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.300 -14.819 5.001 1.00 0.00 H new ATOM 606 N LEU A 40 -0.241 -11.453 1.647 1.00 0.00 N ATOM 607 CA LEU A 40 -0.576 -10.018 1.853 1.00 0.00 C ATOM 608 C LEU A 40 -2.086 -9.862 2.040 1.00 0.00 C ATOM 609 O LEU A 40 -2.550 -9.008 2.769 1.00 0.00 O ATOM 610 CB LEU A 40 -0.111 -9.318 0.575 1.00 0.00 C ATOM 611 CG LEU A 40 -0.709 -7.909 0.501 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.390 -7.136 1.780 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.113 -7.165 -0.695 1.00 0.00 C ATOM 0 H LEU A 40 0.168 -11.677 0.740 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.100 -9.597 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.977 -9.261 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.414 -9.897 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.790 -7.989 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.819 -6.136 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.814 -7.660 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.691 -7.060 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.538 -6.163 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.968 -7.095 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.344 -7.706 -1.612 1.00 0.00 H new ATOM 625 N LEU A 41 -2.859 -10.683 1.384 1.00 0.00 N ATOM 626 CA LEU A 41 -4.337 -10.582 1.524 1.00 0.00 C ATOM 627 C LEU A 41 -4.742 -10.870 2.969 1.00 0.00 C ATOM 628 O LEU A 41 -5.513 -10.145 3.563 1.00 0.00 O ATOM 629 CB LEU A 41 -4.900 -11.652 0.589 1.00 0.00 C ATOM 630 CG LEU A 41 -4.391 -11.420 -0.834 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.790 -12.601 -1.720 1.00 0.00 C ATOM 632 CD2 LEU A 41 -5.004 -10.140 -1.398 1.00 0.00 C ATOM 0 H LEU A 41 -2.531 -11.418 0.758 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.711 -9.589 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.602 -12.642 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.990 -11.624 0.604 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.305 -11.326 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.427 -12.434 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.352 -13.517 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.876 -12.694 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.639 -9.978 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.090 -10.233 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.721 -9.294 -0.771 1.00 0.00 H new ATOM 644 N GLU A 42 -4.224 -11.922 3.542 1.00 0.00 N ATOM 645 CA GLU A 42 -4.586 -12.247 4.954 1.00 0.00 C ATOM 646 C GLU A 42 -4.200 -11.089 5.874 1.00 0.00 C ATOM 647 O GLU A 42 -4.947 -10.704 6.754 1.00 0.00 O ATOM 648 CB GLU A 42 -3.774 -13.496 5.298 1.00 0.00 C ATOM 649 CG GLU A 42 -4.597 -14.742 4.968 1.00 0.00 C ATOM 650 CD GLU A 42 -3.668 -15.871 4.526 1.00 0.00 C ATOM 651 OE1 GLU A 42 -2.542 -15.576 4.161 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.098 -17.013 4.554 1.00 0.00 O ATOM 0 H GLU A 42 -3.570 -12.567 3.099 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.656 -12.412 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.841 -13.503 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.509 -13.491 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.172 -15.052 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.314 -14.517 4.178 1.00 0.00 H new ATOM 659 N TYR A 43 -3.042 -10.527 5.674 1.00 0.00 N ATOM 660 CA TYR A 43 -2.605 -9.389 6.529 1.00 0.00 C ATOM 661 C TYR A 43 -3.528 -8.179 6.325 1.00 0.00 C ATOM 662 O TYR A 43 -3.974 -7.560 7.272 1.00 0.00 O ATOM 663 CB TYR A 43 -1.181 -9.087 6.063 1.00 0.00 C ATOM 664 CG TYR A 43 -0.748 -7.738 6.576 1.00 0.00 C ATOM 665 CD1 TYR A 43 -1.197 -6.578 5.941 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.105 -7.648 7.680 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.794 -5.325 6.409 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.509 -6.393 8.150 1.00 0.00 C ATOM 669 CZ TYR A 43 0.059 -5.231 7.514 1.00 0.00 C ATOM 670 OH TYR A 43 0.456 -3.992 7.976 1.00 0.00 O ATOM 0 H TYR A 43 -2.377 -10.807 4.953 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.644 -9.622 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.500 -9.858 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.134 -9.104 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.856 -6.650 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.452 -8.546 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.141 -4.428 5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.168 -6.322 9.003 1.00 0.00 H new ATOM 0 HH TYR A 43 1.046 -4.105 8.750 1.00 0.00 H new ATOM 680 N ALA A 44 -3.826 -7.840 5.098 1.00 0.00 N ATOM 681 CA ALA A 44 -4.726 -6.679 4.843 1.00 0.00 C ATOM 682 C ALA A 44 -6.186 -7.081 5.069 1.00 0.00 C ATOM 683 O ALA A 44 -7.065 -6.249 5.129 1.00 0.00 O ATOM 684 CB ALA A 44 -4.493 -6.322 3.375 1.00 0.00 C ATOM 0 H ALA A 44 -3.485 -8.317 4.263 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.521 -5.841 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.120 -5.473 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.445 -6.062 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.748 -7.176 2.748 1.00 0.00 H new ATOM 690 N GLN A 45 -6.454 -8.355 5.174 1.00 0.00 N ATOM 691 CA GLN A 45 -7.864 -8.814 5.371 1.00 0.00 C ATOM 692 C GLN A 45 -8.283 -8.753 6.837 1.00 0.00 C ATOM 693 O GLN A 45 -9.414 -9.038 7.171 1.00 0.00 O ATOM 694 CB GLN A 45 -7.867 -10.269 4.912 1.00 0.00 C ATOM 695 CG GLN A 45 -8.174 -10.326 3.424 1.00 0.00 C ATOM 696 CD GLN A 45 -7.872 -11.729 2.894 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.583 -12.631 3.656 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.923 -11.952 1.610 1.00 0.00 N ATOM 0 H GLN A 45 -5.758 -9.100 5.132 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.559 -8.181 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.899 -10.728 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.611 -10.837 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.220 -10.077 3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.576 -9.587 2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.165 -11.195 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.720 -12.883 1.246 1.00 0.00 H new ATOM 707 N THR A 46 -7.392 -8.423 7.722 1.00 0.00 N ATOM 708 CA THR A 46 -7.784 -8.402 9.159 1.00 0.00 C ATOM 709 C THR A 46 -7.221 -7.166 9.864 1.00 0.00 C ATOM 710 O THR A 46 -7.180 -7.100 11.077 1.00 0.00 O ATOM 711 CB THR A 46 -7.177 -9.686 9.734 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.793 -9.480 9.978 1.00 0.00 O ATOM 713 CG2 THR A 46 -7.356 -10.836 8.732 1.00 0.00 C ATOM 0 H THR A 46 -6.424 -8.170 7.522 1.00 0.00 H new ATOM 0 HA THR A 46 -8.865 -8.355 9.294 1.00 0.00 H new ATOM 0 HB THR A 46 -7.680 -9.941 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.401 -10.298 10.348 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.923 -11.748 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.418 -10.992 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.854 -10.586 7.798 1.00 0.00 H new ATOM 721 N HIS A 47 -6.789 -6.190 9.118 1.00 0.00 N ATOM 722 CA HIS A 47 -6.231 -4.961 9.753 1.00 0.00 C ATOM 723 C HIS A 47 -6.104 -3.838 8.720 1.00 0.00 C ATOM 724 O HIS A 47 -5.229 -3.003 8.814 1.00 0.00 O ATOM 725 CB HIS A 47 -4.847 -5.375 10.257 1.00 0.00 C ATOM 726 CG HIS A 47 -4.956 -5.887 11.667 1.00 0.00 C ATOM 727 ND1 HIS A 47 -5.800 -5.559 12.698 1.00 0.00 N flip ATOM 728 CD2 HIS A 47 -4.122 -6.877 12.161 1.00 0.00 C flip ATOM 729 CE1 HIS A 47 -5.499 -6.332 13.815 1.00 0.00 C flip ATOM 730 NE2 HIS A 47 -4.481 -7.110 13.438 1.00 0.00 N flip ATOM 0 H HIS A 47 -6.797 -6.188 8.098 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.868 -4.586 10.554 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.429 -6.147 9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.166 -4.525 10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.329 -7.372 11.621 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.984 -6.308 14.780 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.031 -7.797 14.043 1.00 0.00 H new ATOM 738 N ARG A 48 -6.962 -3.822 7.734 1.00 0.00 N ATOM 739 CA ARG A 48 -6.874 -2.756 6.675 1.00 0.00 C ATOM 740 C ARG A 48 -6.560 -1.415 7.329 1.00 0.00 C ATOM 741 O ARG A 48 -5.661 -0.701 6.930 1.00 0.00 O ATOM 742 CB ARG A 48 -8.258 -2.641 6.007 1.00 0.00 C ATOM 743 CG ARG A 48 -9.016 -3.963 6.049 1.00 0.00 C ATOM 744 CD ARG A 48 -10.247 -3.879 5.143 1.00 0.00 C ATOM 745 NE ARG A 48 -11.168 -4.929 5.658 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.167 -5.343 4.927 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.365 -4.839 3.738 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.970 -6.265 5.386 1.00 0.00 N ATOM 0 H ARG A 48 -7.719 -4.495 7.611 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.098 -3.010 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.842 -1.870 6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.137 -2.324 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.367 -4.776 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.319 -4.187 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.706 -2.892 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.984 -4.059 4.101 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.018 -5.326 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.738 -4.120 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.147 -5.165 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.816 -6.660 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.751 -6.590 4.817 1.00 0.00 H new ATOM 762 N ASP A 49 -7.322 -1.071 8.320 1.00 0.00 N ATOM 763 CA ASP A 49 -7.119 0.231 9.020 1.00 0.00 C ATOM 764 C ASP A 49 -5.748 0.295 9.700 1.00 0.00 C ATOM 765 O ASP A 49 -5.098 1.321 9.705 1.00 0.00 O ATOM 766 CB ASP A 49 -8.233 0.287 10.064 1.00 0.00 C ATOM 767 CG ASP A 49 -8.290 1.689 10.670 1.00 0.00 C ATOM 768 OD1 ASP A 49 -7.400 2.471 10.383 1.00 0.00 O ATOM 769 OD2 ASP A 49 -9.222 1.959 11.410 1.00 0.00 O ATOM 0 H ASP A 49 -8.087 -1.639 8.684 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.151 1.070 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.190 0.038 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.052 -0.452 10.845 1.00 0.00 H new ATOM 774 N GLN A 50 -5.301 -0.782 10.286 1.00 0.00 N ATOM 775 CA GLN A 50 -3.975 -0.748 10.970 1.00 0.00 C ATOM 776 C GLN A 50 -2.863 -0.524 9.943 1.00 0.00 C ATOM 777 O GLN A 50 -1.767 -0.130 10.281 1.00 0.00 O ATOM 778 CB GLN A 50 -3.813 -2.111 11.648 1.00 0.00 C ATOM 779 CG GLN A 50 -5.026 -2.398 12.538 1.00 0.00 C ATOM 780 CD GLN A 50 -5.188 -1.276 13.565 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.300 -1.029 14.358 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.292 -0.584 13.587 1.00 0.00 N ATOM 0 H GLN A 50 -5.790 -1.676 10.322 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.916 0.063 11.696 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.711 -2.892 10.894 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.901 -2.124 12.246 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.926 -2.479 11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.898 -3.354 13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.037 -0.791 12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.411 0.165 14.269 1.00 0.00 H new ATOM 791 N ILE A 51 -3.138 -0.768 8.689 1.00 0.00 N ATOM 792 CA ILE A 51 -2.092 -0.563 7.645 1.00 0.00 C ATOM 793 C ILE A 51 -2.002 0.923 7.291 1.00 0.00 C ATOM 794 O ILE A 51 -2.984 1.544 6.940 1.00 0.00 O ATOM 795 CB ILE A 51 -2.567 -1.380 6.439 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.084 -2.757 6.885 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.410 -1.577 5.459 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.312 -3.257 8.113 1.00 0.00 C ATOM 0 H ILE A 51 -4.039 -1.099 8.343 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.102 -0.875 7.976 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.377 -0.835 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.147 -2.693 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.980 -3.472 6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.753 -2.159 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.053 -0.605 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.598 -2.108 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.695 -4.233 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.253 -3.342 7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.438 -2.552 8.934 1.00 0.00 H new ATOM 810 N ASP A 52 -0.836 1.503 7.392 1.00 0.00 N ATOM 811 CA ASP A 52 -0.697 2.953 7.071 1.00 0.00 C ATOM 812 C ASP A 52 -0.233 3.164 5.627 1.00 0.00 C ATOM 813 O ASP A 52 -0.536 4.170 5.027 1.00 0.00 O ATOM 814 CB ASP A 52 0.350 3.485 8.044 1.00 0.00 C ATOM 815 CG ASP A 52 -0.337 3.969 9.324 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.375 3.422 9.659 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.185 4.881 9.944 1.00 0.00 O ATOM 0 H ASP A 52 0.024 1.037 7.682 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.652 3.470 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.072 2.703 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.905 4.303 7.585 1.00 0.00 H new ATOM 822 N CYS A 53 0.507 2.240 5.069 1.00 0.00 N ATOM 823 CA CYS A 53 0.988 2.414 3.662 1.00 0.00 C ATOM 824 C CYS A 53 1.375 1.059 3.064 1.00 0.00 C ATOM 825 O CYS A 53 2.117 0.305 3.661 1.00 0.00 O ATOM 826 CB CYS A 53 2.222 3.314 3.778 1.00 0.00 C ATOM 827 SG CYS A 53 2.203 4.546 2.450 1.00 0.00 S ATOM 0 H CYS A 53 0.799 1.375 5.524 1.00 0.00 H new ATOM 0 HA CYS A 53 0.224 2.843 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.232 3.811 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.130 2.713 3.718 1.00 0.00 H new ATOM 0 HG CYS A 53 1.403 4.152 1.504 1.00 0.00 H new ATOM 833 N LEU A 54 0.892 0.737 1.891 1.00 0.00 N ATOM 834 CA LEU A 54 1.269 -0.583 1.297 1.00 0.00 C ATOM 835 C LEU A 54 2.314 -0.407 0.197 1.00 0.00 C ATOM 836 O LEU A 54 2.198 0.449 -0.655 1.00 0.00 O ATOM 837 CB LEU A 54 -0.013 -1.163 0.701 1.00 0.00 C ATOM 838 CG LEU A 54 0.324 -2.465 -0.041 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.447 -3.617 0.957 1.00 0.00 C ATOM 840 CD2 LEU A 54 -0.779 -2.782 -1.053 1.00 0.00 C ATOM 0 H LEU A 54 0.267 1.315 1.329 1.00 0.00 H new ATOM 0 HA LEU A 54 1.700 -1.239 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.740 -1.357 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.468 -0.447 0.017 1.00 0.00 H new ATOM 0 HG LEU A 54 1.272 -2.341 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.686 -4.537 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.239 -3.396 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.497 -3.741 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.537 -3.706 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.729 -2.899 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.858 -1.967 -1.772 1.00 0.00 H new ATOM 852 N ILE A 55 3.321 -1.235 0.188 1.00 0.00 N ATOM 853 CA ILE A 55 4.347 -1.131 -0.882 1.00 0.00 C ATOM 854 C ILE A 55 4.112 -2.244 -1.893 1.00 0.00 C ATOM 855 O ILE A 55 3.945 -3.393 -1.535 1.00 0.00 O ATOM 856 CB ILE A 55 5.688 -1.330 -0.193 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.862 -0.311 0.924 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.819 -1.152 -1.207 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.097 -0.700 1.728 1.00 0.00 C ATOM 0 H ILE A 55 3.476 -1.975 0.872 1.00 0.00 H new ATOM 0 HA ILE A 55 4.309 -0.175 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 55 5.719 -2.336 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.976 0.691 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.980 -0.293 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.779 -1.295 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.711 -1.886 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.775 -0.148 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.245 0.016 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.960 -1.697 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.971 -0.697 1.077 1.00 0.00 H new ATOM 871 N LEU A 56 4.083 -1.921 -3.148 1.00 0.00 N ATOM 872 CA LEU A 56 3.842 -2.976 -4.162 1.00 0.00 C ATOM 873 C LEU A 56 4.837 -2.868 -5.308 1.00 0.00 C ATOM 874 O LEU A 56 5.300 -1.800 -5.652 1.00 0.00 O ATOM 875 CB LEU A 56 2.429 -2.717 -4.667 1.00 0.00 C ATOM 876 CG LEU A 56 1.422 -3.118 -3.592 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.008 -2.931 -4.134 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.633 -4.588 -3.216 1.00 0.00 C ATOM 0 H LEU A 56 4.215 -0.979 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 56 3.959 -3.975 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.309 -1.663 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.248 -3.285 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 56 1.562 -2.495 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.715 -3.216 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.143 -1.886 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.130 -3.557 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.914 -4.874 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.491 -5.213 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.645 -4.724 -2.834 1.00 0.00 H new ATOM 890 N VAL A 57 5.148 -3.972 -5.913 1.00 0.00 N ATOM 891 CA VAL A 57 6.093 -3.957 -7.059 1.00 0.00 C ATOM 892 C VAL A 57 5.346 -4.413 -8.314 1.00 0.00 C ATOM 893 O VAL A 57 4.919 -5.547 -8.409 1.00 0.00 O ATOM 894 CB VAL A 57 7.182 -4.962 -6.686 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.205 -5.058 -7.819 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.880 -4.505 -5.404 1.00 0.00 C ATOM 0 H VAL A 57 4.787 -4.892 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 57 6.513 -2.971 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 57 6.730 -5.941 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.980 -5.775 -7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.708 -5.387 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.657 -4.080 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.657 -5.222 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.330 -3.525 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.152 -4.442 -4.596 1.00 0.00 H new ATOM 906 N ALA A 58 5.169 -3.549 -9.272 1.00 0.00 N ATOM 907 CA ALA A 58 4.433 -3.959 -10.503 1.00 0.00 C ATOM 908 C ALA A 58 5.237 -5.001 -11.279 1.00 0.00 C ATOM 909 O ALA A 58 4.703 -5.743 -12.079 1.00 0.00 O ATOM 910 CB ALA A 58 4.272 -2.680 -11.316 1.00 0.00 C ATOM 0 H ALA A 58 5.498 -2.584 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 58 3.469 -4.415 -10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.738 -2.901 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.708 -1.949 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.255 -2.274 -11.554 1.00 0.00 H new ATOM 916 N ALA A 59 6.517 -5.065 -11.050 1.00 0.00 N ATOM 917 CA ALA A 59 7.356 -6.061 -11.773 1.00 0.00 C ATOM 918 C ALA A 59 6.746 -7.464 -11.659 1.00 0.00 C ATOM 919 O ALA A 59 7.045 -8.343 -12.444 1.00 0.00 O ATOM 920 CB ALA A 59 8.713 -6.008 -11.075 1.00 0.00 C ATOM 0 H ALA A 59 7.021 -4.470 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 59 7.432 -5.840 -12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.394 -6.715 -11.549 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.124 -5.001 -11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.592 -6.269 -10.024 1.00 0.00 H new ATOM 926 N ASN A 60 5.894 -7.685 -10.693 1.00 0.00 N ATOM 927 CA ASN A 60 5.279 -9.038 -10.549 1.00 0.00 C ATOM 928 C ASN A 60 4.219 -9.265 -11.634 1.00 0.00 C ATOM 929 O ASN A 60 3.618 -8.330 -12.125 1.00 0.00 O ATOM 930 CB ASN A 60 4.656 -9.039 -9.154 1.00 0.00 C ATOM 931 CG ASN A 60 5.672 -9.574 -8.141 1.00 0.00 C ATOM 932 OD1 ASN A 60 5.899 -10.857 -8.080 1.00 0.00 O flip ATOM 933 ND2 ASN A 60 6.266 -8.817 -7.398 1.00 0.00 N flip ATOM 0 H ASN A 60 5.599 -6.994 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 60 6.007 -9.841 -10.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.350 -8.029 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.758 -9.657 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.089 -7.813 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.941 -9.185 -6.728 1.00 0.00 H new ATOM 940 N PRO A 61 4.045 -10.513 -11.982 1.00 0.00 N ATOM 941 CA PRO A 61 3.070 -10.894 -13.037 1.00 0.00 C ATOM 942 C PRO A 61 1.628 -10.806 -12.531 1.00 0.00 C ATOM 943 O PRO A 61 0.833 -10.027 -13.020 1.00 0.00 O ATOM 944 CB PRO A 61 3.446 -12.338 -13.365 1.00 0.00 C ATOM 945 CG PRO A 61 4.124 -12.858 -12.136 1.00 0.00 C ATOM 946 CD PRO A 61 4.740 -11.678 -11.424 1.00 0.00 C ATOM 0 HA PRO A 61 3.112 -10.232 -13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.563 -12.929 -13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.108 -12.385 -14.230 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.408 -13.365 -11.489 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.889 -13.588 -12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.598 -11.746 -10.345 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.814 -11.623 -11.602 1.00 0.00 H new ATOM 954 N SER A 62 1.280 -11.604 -11.563 1.00 0.00 N ATOM 955 CA SER A 62 -0.114 -11.573 -11.033 1.00 0.00 C ATOM 956 C SER A 62 -0.244 -10.532 -9.920 1.00 0.00 C ATOM 957 O SER A 62 -1.224 -10.500 -9.203 1.00 0.00 O ATOM 958 CB SER A 62 -0.361 -12.976 -10.479 1.00 0.00 C ATOM 959 OG SER A 62 0.557 -13.230 -9.425 1.00 0.00 O ATOM 0 H SER A 62 1.900 -12.278 -11.114 1.00 0.00 H new ATOM 0 HA SER A 62 -0.836 -11.302 -11.804 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.385 -13.061 -10.114 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.241 -13.718 -11.268 1.00 0.00 H new ATOM 0 HG SER A 62 0.401 -14.128 -9.065 1.00 0.00 H new ATOM 965 N PHE A 63 0.734 -9.684 -9.763 1.00 0.00 N ATOM 966 CA PHE A 63 0.652 -8.656 -8.686 1.00 0.00 C ATOM 967 C PHE A 63 -0.691 -7.920 -8.751 1.00 0.00 C ATOM 968 O PHE A 63 -1.347 -7.728 -7.748 1.00 0.00 O ATOM 969 CB PHE A 63 1.834 -7.713 -8.952 1.00 0.00 C ATOM 970 CG PHE A 63 1.500 -6.305 -8.519 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.232 -6.026 -7.176 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.455 -5.279 -9.469 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.917 -4.722 -6.783 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.143 -3.975 -9.078 1.00 0.00 C ATOM 975 CZ PHE A 63 0.873 -3.694 -7.733 1.00 0.00 C ATOM 0 H PHE A 63 1.582 -9.657 -10.329 1.00 0.00 H new ATOM 0 HA PHE A 63 0.707 -9.088 -7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.715 -8.065 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.083 -7.723 -10.013 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.268 -6.818 -6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.662 -5.496 -10.507 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.707 -4.507 -5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.110 -3.184 -9.812 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.631 -2.686 -7.429 1.00 0.00 H new ATOM 985 N ARG A 64 -1.107 -7.509 -9.915 1.00 0.00 N ATOM 986 CA ARG A 64 -2.409 -6.794 -10.018 1.00 0.00 C ATOM 987 C ARG A 64 -3.512 -7.674 -9.436 1.00 0.00 C ATOM 988 O ARG A 64 -4.396 -7.208 -8.747 1.00 0.00 O ATOM 989 CB ARG A 64 -2.628 -6.557 -11.511 1.00 0.00 C ATOM 990 CG ARG A 64 -1.961 -5.245 -11.919 1.00 0.00 C ATOM 991 CD ARG A 64 -0.446 -5.436 -11.960 1.00 0.00 C ATOM 992 NE ARG A 64 -0.199 -6.285 -13.158 1.00 0.00 N ATOM 993 CZ ARG A 64 -0.188 -5.752 -14.350 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.422 -4.477 -14.501 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.046 -6.498 -15.394 1.00 0.00 N ATOM 0 H ARG A 64 -0.606 -7.636 -10.794 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.418 -5.853 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.212 -7.384 -12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.695 -6.520 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.325 -4.928 -12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.220 -4.457 -11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.071 -4.480 -12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.084 -5.919 -11.052 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.038 -7.286 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.614 -3.894 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.413 -4.064 -15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.220 -7.496 -15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.055 -6.083 -16.326 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.454 -8.951 -9.697 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.488 -9.870 -9.143 1.00 0.00 C ATOM 1011 C ALA A 65 -4.505 -9.743 -7.619 1.00 0.00 C ATOM 1012 O ALA A 65 -5.540 -9.579 -7.004 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.041 -11.270 -9.569 1.00 0.00 C ATOM 0 H ALA A 65 -2.737 -9.397 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.494 -9.648 -9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.753 -12.008 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.997 -11.323 -10.657 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.054 -11.478 -9.156 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.359 -9.798 -7.007 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.290 -9.658 -5.527 1.00 0.00 C ATOM 1021 C VAL A 66 -3.858 -8.297 -5.118 1.00 0.00 C ATOM 1022 O VAL A 66 -4.633 -8.183 -4.181 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.795 -9.760 -5.216 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.532 -9.364 -3.762 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.335 -11.203 -5.449 1.00 0.00 C ATOM 0 H VAL A 66 -2.461 -9.935 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.867 -10.409 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.242 -9.085 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.465 -9.440 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.862 -8.338 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.081 -10.031 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.270 -11.285 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.893 -11.873 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.514 -11.479 -6.488 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.497 -7.263 -5.827 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.034 -5.918 -5.492 1.00 0.00 C ATOM 1037 C VAL A 67 -5.546 -5.904 -5.706 1.00 0.00 C ATOM 1038 O VAL A 67 -6.280 -5.282 -4.966 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.358 -4.948 -6.456 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.837 -3.527 -6.153 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.839 -5.024 -6.285 1.00 0.00 C ATOM 0 H VAL A 67 -2.856 -7.293 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.841 -5.648 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.615 -5.213 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.358 -2.828 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.919 -3.473 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.576 -3.266 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.360 -4.330 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.574 -4.759 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.499 -6.038 -6.496 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.022 -6.583 -6.718 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.483 -6.591 -6.959 1.00 0.00 C ATOM 1053 C GLN A 68 -8.185 -7.091 -5.698 1.00 0.00 C ATOM 1054 O GLN A 68 -9.201 -6.562 -5.300 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.693 -7.520 -8.169 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.228 -8.890 -7.734 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.275 -9.819 -8.952 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.525 -9.642 -9.891 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -9.129 -10.807 -8.979 1.00 0.00 N ATOM 0 H GLN A 68 -5.464 -7.125 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.899 -5.607 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.392 -7.059 -8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.750 -7.648 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.588 -9.315 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.223 -8.785 -7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.760 -10.958 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.165 -11.428 -9.787 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.640 -8.085 -5.045 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.287 -8.567 -3.795 1.00 0.00 C ATOM 1070 C GLN A 69 -8.318 -7.429 -2.779 1.00 0.00 C ATOM 1071 O GLN A 69 -9.347 -7.131 -2.206 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.421 -9.711 -3.282 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.608 -10.947 -4.162 1.00 0.00 C ATOM 1074 CD GLN A 69 -9.048 -11.455 -4.042 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -9.885 -10.815 -3.435 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.373 -12.591 -4.593 1.00 0.00 N ATOM 0 H GLN A 69 -6.789 -8.575 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.311 -8.899 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.373 -9.411 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.687 -9.945 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.384 -10.703 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.910 -11.728 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.673 -13.129 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.328 -12.941 -4.514 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.206 -6.773 -2.556 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.230 -5.645 -1.581 1.00 0.00 C ATOM 1087 C LEU A 70 -8.413 -4.743 -1.928 1.00 0.00 C ATOM 1088 O LEU A 70 -9.252 -4.449 -1.098 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.905 -4.899 -1.766 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.840 -5.492 -0.839 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.534 -5.668 -1.615 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.595 -4.546 0.341 1.00 0.00 C ATOM 0 H LEU A 70 -6.305 -6.964 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.340 -5.976 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.578 -4.972 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.040 -3.840 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.185 -6.457 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.774 -6.090 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.699 -6.340 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.197 -4.699 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.837 -4.972 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.252 -3.581 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.522 -4.411 0.898 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.502 -4.325 -3.163 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.648 -3.471 -3.582 1.00 0.00 C ATOM 1106 C CYS A 71 -10.939 -4.299 -3.551 1.00 0.00 C ATOM 1107 O CYS A 71 -12.010 -3.796 -3.272 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.327 -3.047 -5.016 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.806 -2.067 -5.042 1.00 0.00 S ATOM 0 H CYS A 71 -7.829 -4.539 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.790 -2.611 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.213 -3.928 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.152 -2.465 -5.426 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.010 -2.476 -4.099 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.833 -5.571 -3.841 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.036 -6.458 -3.842 1.00 0.00 C ATOM 1117 C PHE A 72 -12.682 -6.470 -2.460 1.00 0.00 C ATOM 1118 O PHE A 72 -13.882 -6.342 -2.322 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.486 -7.845 -4.182 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.617 -8.809 -4.448 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.293 -9.412 -3.381 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.978 -9.112 -5.766 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.331 -10.318 -3.632 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.017 -10.016 -6.017 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.693 -10.620 -4.952 1.00 0.00 C ATOM 0 H PHE A 72 -9.957 -6.037 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.799 -6.128 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.840 -7.782 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.873 -8.212 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.014 -9.179 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.455 -8.648 -6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.852 -10.784 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.297 -10.247 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.493 -11.319 -5.147 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.895 -6.617 -1.433 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.469 -6.630 -0.063 1.00 0.00 C ATOM 1137 C GLU A 73 -12.670 -5.200 0.424 1.00 0.00 C ATOM 1138 O GLU A 73 -13.241 -4.964 1.468 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.437 -7.348 0.800 1.00 0.00 C ATOM 1140 CG GLU A 73 -11.124 -8.707 0.184 1.00 0.00 C ATOM 1141 CD GLU A 73 -10.674 -9.670 1.283 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -11.381 -9.778 2.272 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -9.633 -10.281 1.118 1.00 0.00 O ATOM 0 H GLU A 73 -10.882 -6.728 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.439 -7.126 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.528 -6.751 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.818 -7.474 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.005 -9.101 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.343 -8.606 -0.569 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.206 -4.242 -0.328 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.373 -2.829 0.093 1.00 0.00 C ATOM 1152 C GLY A 74 -11.132 -2.359 0.851 1.00 0.00 C ATOM 1153 O GLY A 74 -11.130 -1.302 1.450 1.00 0.00 O ATOM 0 H GLY A 74 -11.720 -4.379 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.537 -2.198 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.255 -2.731 0.726 1.00 0.00 H new ATOM 1157 N VAL A 75 -10.068 -3.121 0.829 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.845 -2.676 1.552 1.00 0.00 C ATOM 1159 C VAL A 75 -8.150 -1.576 0.755 1.00 0.00 C ATOM 1160 O VAL A 75 -7.454 -1.839 -0.205 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.947 -3.908 1.644 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.762 -3.604 2.564 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.745 -5.081 2.215 1.00 0.00 C ATOM 0 H VAL A 75 -9.995 -4.018 0.349 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.076 -2.275 2.539 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.582 -4.167 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.119 -4.482 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.192 -2.767 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.129 -3.346 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.104 -5.960 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.110 -4.823 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.591 -5.297 1.563 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.333 -0.345 1.137 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.677 0.759 0.388 1.00 0.00 C ATOM 1175 C VAL A 76 -6.667 1.474 1.288 1.00 0.00 C ATOM 1176 O VAL A 76 -6.975 1.877 2.392 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.800 1.712 -0.021 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.323 2.560 -1.199 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.036 0.910 -0.440 1.00 0.00 C ATOM 0 H VAL A 76 -8.905 -0.057 1.931 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.133 0.392 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.060 2.354 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.116 3.244 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.444 3.132 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.068 1.910 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.833 1.595 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.784 0.268 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.372 0.296 0.396 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.460 1.628 0.822 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.418 2.313 1.642 1.00 0.00 C ATOM 1191 C VAL A 77 -3.469 3.080 0.728 1.00 0.00 C ATOM 1192 O VAL A 77 -3.390 2.800 -0.446 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.655 1.187 2.340 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.476 0.653 3.511 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.394 0.055 1.343 1.00 0.00 C ATOM 0 H VAL A 77 -5.147 1.308 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.851 3.020 2.349 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.706 1.573 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.927 -0.149 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.661 1.458 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.427 0.269 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.850 -0.749 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.344 -0.327 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.802 0.433 0.510 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.745 3.998 1.299 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.763 4.772 0.508 1.00 0.00 C ATOM 1207 C PRO A 78 -0.691 3.804 0.033 1.00 0.00 C ATOM 1208 O PRO A 78 0.321 3.598 0.673 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.216 5.787 1.502 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.457 5.162 2.831 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.745 4.390 2.707 1.00 0.00 C ATOM 0 HA PRO A 78 -2.167 5.269 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.155 5.975 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.727 6.746 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.633 4.503 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.532 5.921 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.765 3.524 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.611 5.003 2.958 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.946 3.167 -1.064 1.00 0.00 N ATOM 1220 CA ALA A 79 0.002 2.159 -1.581 1.00 0.00 C ATOM 1221 C ALA A 79 0.982 2.774 -2.577 1.00 0.00 C ATOM 1222 O ALA A 79 0.598 3.297 -3.604 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.906 1.148 -2.269 1.00 0.00 C ATOM 0 H ALA A 79 -1.782 3.304 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 79 0.621 1.721 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.302 0.346 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.603 0.731 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.464 1.642 -3.064 1.00 0.00 H new ATOM 1229 N ILE A 80 2.250 2.694 -2.288 1.00 0.00 N ATOM 1230 CA ILE A 80 3.261 3.248 -3.224 1.00 0.00 C ATOM 1231 C ILE A 80 3.638 2.157 -4.229 1.00 0.00 C ATOM 1232 O ILE A 80 3.943 1.042 -3.857 1.00 0.00 O ATOM 1233 CB ILE A 80 4.450 3.628 -2.340 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.945 4.465 -1.154 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.449 4.448 -3.160 1.00 0.00 C ATOM 1236 CD1 ILE A 80 5.075 4.688 -0.141 1.00 0.00 C ATOM 0 H ILE A 80 2.629 2.268 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 80 2.908 4.109 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 80 4.941 2.728 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.572 5.425 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.110 3.958 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.298 4.720 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.798 3.856 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.963 5.353 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.703 5.282 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.428 3.725 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.898 5.215 -0.624 1.00 0.00 H new ATOM 1248 N VAL A 81 3.591 2.451 -5.499 1.00 0.00 N ATOM 1249 CA VAL A 81 3.917 1.404 -6.512 1.00 0.00 C ATOM 1250 C VAL A 81 5.315 1.616 -7.099 1.00 0.00 C ATOM 1251 O VAL A 81 5.753 2.730 -7.299 1.00 0.00 O ATOM 1252 CB VAL A 81 2.845 1.562 -7.590 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.958 0.410 -8.590 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.461 1.540 -6.931 1.00 0.00 C ATOM 0 H VAL A 81 3.343 3.364 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 81 3.924 0.404 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 81 2.984 2.508 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.194 0.520 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.945 0.425 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.815 -0.538 -8.071 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.692 1.652 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.320 0.592 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.385 2.360 -6.217 1.00 0.00 H new ATOM 1264 N VAL A 82 6.019 0.546 -7.367 1.00 0.00 N ATOM 1265 CA VAL A 82 7.394 0.673 -7.933 1.00 0.00 C ATOM 1266 C VAL A 82 7.441 0.127 -9.361 1.00 0.00 C ATOM 1267 O VAL A 82 6.889 -0.916 -9.657 1.00 0.00 O ATOM 1268 CB VAL A 82 8.274 -0.182 -7.024 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.746 0.149 -7.281 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.927 0.108 -5.565 1.00 0.00 C ATOM 0 H VAL A 82 5.700 -0.411 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 82 7.720 1.712 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 82 8.101 -1.238 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.375 -0.461 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.989 -0.060 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.924 1.204 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.554 -0.501 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.101 1.163 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.879 -0.130 -5.386 1.00 0.00 H new ATOM 1280 N GLY A 83 8.106 0.813 -10.249 1.00 0.00 N ATOM 1281 CA GLY A 83 8.197 0.321 -11.651 1.00 0.00 C ATOM 1282 C GLY A 83 7.357 1.207 -12.571 1.00 0.00 C ATOM 1283 O GLY A 83 6.284 0.832 -12.999 1.00 0.00 O ATOM 0 H GLY A 83 8.590 1.692 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.236 0.324 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.848 -0.710 -11.707 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.094 -0.471 -11.227 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.320 -1.349 -10.310 1.00 0.00 C ATOM 1494 C LEU A 98 -3.021 -1.369 -8.968 1.00 0.00 C ATOM 1495 O LEU A 98 -3.023 -2.353 -8.262 1.00 0.00 O ATOM 1496 CB LEU A 98 -0.942 -0.700 -10.167 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.221 -0.706 -11.512 1.00 0.00 C ATOM 1498 CD1 LEU A 98 1.194 -0.165 -11.321 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.153 -2.137 -12.047 1.00 0.00 C ATOM 0 HA LEU A 98 -2.236 -2.371 -10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.048 0.323 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.352 -1.239 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.761 -0.081 -12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.716 -0.166 -12.278 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.145 0.853 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.732 -0.796 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.362 -2.142 -13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.391 -2.764 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.163 -2.526 -12.175 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.622 -0.271 -8.623 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.340 -0.188 -7.327 1.00 0.00 C ATOM 1513 C TYR A 99 -5.410 0.909 -7.394 1.00 0.00 C ATOM 1514 O TYR A 99 -6.088 1.063 -8.391 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.256 0.160 -6.302 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.666 -0.308 -4.921 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.005 -0.609 -4.643 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.700 -0.431 -3.911 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.377 -1.034 -3.359 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.075 -0.855 -2.630 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.412 -1.156 -2.355 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.779 -1.575 -1.093 1.00 0.00 O ATOM 0 H TYR A 99 -3.647 0.579 -9.187 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.855 -1.113 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.314 -0.308 -6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.087 1.237 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.752 -0.514 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.667 -0.199 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.410 -1.267 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.330 -0.950 -1.854 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.757 -1.600 -1.028 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.570 1.673 -6.348 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.603 2.756 -6.374 1.00 0.00 C ATOM 1534 C HIS A 100 -5.978 4.087 -6.796 1.00 0.00 C ATOM 1535 O HIS A 100 -4.788 4.184 -7.019 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.166 2.852 -4.950 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.051 2.765 -3.945 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.786 1.592 -3.231 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.106 3.678 -3.534 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.721 1.826 -2.442 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.292 3.065 -2.606 1.00 0.00 N ATOM 0 H HIS A 100 -5.037 1.598 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.390 2.531 -7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.705 3.792 -4.826 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.883 2.049 -4.779 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.306 0.717 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.018 4.698 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.280 1.104 -1.771 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.498 3.493 -2.130 1.00 0.00 H new ATOM 1549 N SER A 101 -6.780 5.107 -6.921 1.00 0.00 N ATOM 1550 CA SER A 101 -6.249 6.435 -7.344 1.00 0.00 C ATOM 1551 C SER A 101 -5.357 7.044 -6.256 1.00 0.00 C ATOM 1552 O SER A 101 -4.595 7.956 -6.509 1.00 0.00 O ATOM 1553 CB SER A 101 -7.491 7.303 -7.562 1.00 0.00 C ATOM 1554 OG SER A 101 -7.197 8.317 -8.514 1.00 0.00 O ATOM 0 H SER A 101 -7.785 5.079 -6.748 1.00 0.00 H new ATOM 0 HA SER A 101 -5.633 6.357 -8.240 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.320 6.689 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.804 7.753 -6.620 1.00 0.00 H new ATOM 0 HG SER A 101 -7.992 8.873 -8.656 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.449 6.561 -5.049 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.609 7.130 -3.954 1.00 0.00 C ATOM 1562 C ALA A 102 -3.206 6.513 -3.965 1.00 0.00 C ATOM 1563 O ALA A 102 -2.292 7.021 -3.345 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.342 6.763 -2.662 1.00 0.00 C ATOM 0 H ALA A 102 -6.067 5.799 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.476 8.206 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.786 7.147 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.340 7.201 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.423 5.679 -2.585 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.026 5.421 -4.656 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.686 4.776 -4.692 1.00 0.00 C ATOM 1572 C GLU A 103 -0.645 5.733 -5.282 1.00 0.00 C ATOM 1573 O GLU A 103 -0.886 6.398 -6.271 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.871 3.547 -5.590 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.797 3.955 -7.066 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.133 2.750 -7.949 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -3.309 2.509 -8.164 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -1.209 2.093 -8.396 1.00 0.00 O ATOM 0 H GLU A 103 -3.750 4.948 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.327 4.507 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.101 2.808 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.832 3.077 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.494 4.769 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.799 4.325 -7.302 1.00 0.00 H new ATOM 1585 N LEU A 104 0.513 5.798 -4.687 1.00 0.00 N ATOM 1586 CA LEU A 104 1.575 6.701 -5.212 1.00 0.00 C ATOM 1587 C LEU A 104 2.560 5.898 -6.065 1.00 0.00 C ATOM 1588 O LEU A 104 2.597 4.685 -6.006 1.00 0.00 O ATOM 1589 CB LEU A 104 2.264 7.266 -3.970 1.00 0.00 C ATOM 1590 CG LEU A 104 1.810 8.709 -3.748 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.320 8.735 -3.408 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.609 9.317 -2.595 1.00 0.00 C ATOM 0 H LEU A 104 0.771 5.263 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 104 1.178 7.494 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.021 6.659 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.346 7.229 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 104 1.980 9.287 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.001 9.765 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.248 8.301 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.144 8.158 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.289 10.346 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.438 8.737 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.671 9.302 -2.841 1.00 0.00 H new ATOM 1604 N HIS A 105 3.348 6.555 -6.870 1.00 0.00 N ATOM 1605 CA HIS A 105 4.308 5.806 -7.728 1.00 0.00 C ATOM 1606 C HIS A 105 5.753 6.120 -7.333 1.00 0.00 C ATOM 1607 O HIS A 105 6.066 7.200 -6.874 1.00 0.00 O ATOM 1608 CB HIS A 105 4.021 6.282 -9.148 1.00 0.00 C ATOM 1609 CG HIS A 105 2.581 6.008 -9.490 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.624 5.237 -8.879 1.00 0.00 N flip ATOM 1611 CD2 HIS A 105 1.964 6.573 -10.595 1.00 0.00 C flip ATOM 1612 CE1 HIS A 105 0.433 5.318 -9.592 1.00 0.00 C flip ATOM 1613 NE2 HIS A 105 0.693 6.136 -10.616 1.00 0.00 N flip ATOM 0 H HIS A 105 3.369 7.570 -6.971 1.00 0.00 H new ATOM 0 HA HIS A 105 4.190 4.727 -7.625 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.229 7.348 -9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.677 5.771 -9.853 1.00 0.00 H new ATOM 0 HD2 HIS A 105 2.421 7.242 -11.309 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.501 4.826 -9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.010 6.397 -11.327 1.00 0.00 H new ATOM 1621 N LEU A 106 6.635 5.176 -7.512 1.00 0.00 N ATOM 1622 CA LEU A 106 8.060 5.407 -7.151 1.00 0.00 C ATOM 1623 C LEU A 106 8.982 4.781 -8.202 1.00 0.00 C ATOM 1624 O LEU A 106 8.878 3.610 -8.513 1.00 0.00 O ATOM 1625 CB LEU A 106 8.232 4.719 -5.794 1.00 0.00 C ATOM 1626 CG LEU A 106 9.676 4.876 -5.315 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.958 6.349 -5.014 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.881 4.047 -4.044 1.00 0.00 C ATOM 0 H LEU A 106 6.429 4.253 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 106 8.314 6.466 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.548 5.154 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.979 3.662 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 106 10.357 4.529 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.987 6.460 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.810 6.940 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.278 6.698 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.909 4.157 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.200 4.396 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.680 2.997 -4.258 1.00 0.00 H new ATOM 1640 N GLY A 107 9.886 5.549 -8.753 1.00 0.00 N ATOM 1641 CA GLY A 107 10.812 4.989 -9.778 1.00 0.00 C ATOM 1642 C GLY A 107 11.534 3.773 -9.193 1.00 0.00 C ATOM 1643 O GLY A 107 11.744 3.685 -7.999 1.00 0.00 O ATOM 0 H GLY A 107 10.022 6.537 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.255 4.702 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.536 5.745 -10.083 1.00 0.00 H new ATOM 1647 N ILE A 108 11.914 2.834 -10.018 1.00 0.00 N ATOM 1648 CA ILE A 108 12.617 1.634 -9.510 1.00 0.00 C ATOM 1649 C ILE A 108 13.968 2.022 -8.907 1.00 0.00 C ATOM 1650 O ILE A 108 14.353 1.539 -7.862 1.00 0.00 O ATOM 1651 CB ILE A 108 12.795 0.779 -10.754 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.424 0.318 -11.246 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.646 -0.428 -10.416 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.538 -0.196 -12.679 1.00 0.00 C ATOM 0 H ILE A 108 11.764 2.852 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 108 12.075 1.117 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 108 13.286 1.360 -11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.039 -0.469 -10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.714 1.144 -11.201 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.775 -1.043 -11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.621 -0.097 -10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.155 -1.014 -9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.558 -0.524 -13.027 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.903 0.603 -13.324 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.234 -1.035 -12.711 1.00 0.00 H new ATOM 1666 N HIS A 109 14.684 2.898 -9.550 1.00 0.00 N ATOM 1667 CA HIS A 109 15.999 3.322 -8.997 1.00 0.00 C ATOM 1668 C HIS A 109 15.796 4.507 -8.054 1.00 0.00 C ATOM 1669 O HIS A 109 16.740 5.097 -7.566 1.00 0.00 O ATOM 1670 CB HIS A 109 16.837 3.734 -10.208 1.00 0.00 C ATOM 1671 CG HIS A 109 16.260 4.976 -10.830 1.00 0.00 C ATOM 1672 ND1 HIS A 109 16.680 6.248 -10.472 1.00 0.00 N ATOM 1673 CD2 HIS A 109 15.303 5.158 -11.797 1.00 0.00 C ATOM 1674 CE1 HIS A 109 15.986 7.128 -11.217 1.00 0.00 C ATOM 1675 NE2 HIS A 109 15.133 6.517 -12.040 1.00 0.00 N ATOM 0 H HIS A 109 14.418 3.338 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 109 16.487 2.531 -8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.868 3.914 -9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.857 2.926 -10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.763 4.366 -12.294 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.105 8.200 -11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 109 14.493 6.952 -12.705 1.00 0.00 H new ATOM 1683 N GLN A 110 14.565 4.856 -7.790 1.00 0.00 N ATOM 1684 CA GLN A 110 14.292 5.996 -6.876 1.00 0.00 C ATOM 1685 C GLN A 110 13.925 5.476 -5.490 1.00 0.00 C ATOM 1686 O GLN A 110 13.220 6.125 -4.743 1.00 0.00 O ATOM 1687 CB GLN A 110 13.110 6.743 -7.496 1.00 0.00 C ATOM 1688 CG GLN A 110 13.593 7.590 -8.676 1.00 0.00 C ATOM 1689 CD GLN A 110 13.094 9.027 -8.508 1.00 0.00 C ATOM 1690 OE1 GLN A 110 13.817 9.882 -8.038 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.877 9.328 -8.870 1.00 0.00 N ATOM 0 H GLN A 110 13.737 4.398 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 110 15.160 6.644 -6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.355 6.032 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.638 7.380 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.682 7.575 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.224 7.172 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.270 8.610 -9.265 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.533 10.282 -8.758 1.00 0.00 H new ATOM 1700 N LEU A 111 14.393 4.309 -5.136 1.00 0.00 N ATOM 1701 CA LEU A 111 14.061 3.768 -3.791 1.00 0.00 C ATOM 1702 C LEU A 111 14.754 4.605 -2.727 1.00 0.00 C ATOM 1703 O LEU A 111 15.937 4.486 -2.480 1.00 0.00 O ATOM 1704 CB LEU A 111 14.568 2.319 -3.790 1.00 0.00 C ATOM 1705 CG LEU A 111 13.607 1.383 -4.562 1.00 0.00 C ATOM 1706 CD1 LEU A 111 13.057 0.327 -3.608 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.423 2.155 -5.158 1.00 0.00 C ATOM 0 H LEU A 111 14.985 3.714 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 111 12.993 3.800 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.559 2.279 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.672 1.969 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 111 14.171 0.924 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.380 -0.334 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.881 -0.256 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.517 0.815 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.770 1.465 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.863 2.637 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.793 2.912 -5.849 1.00 0.00 H new ATOM 1719 N GLU A 112 13.998 5.463 -2.118 1.00 0.00 N ATOM 1720 CA GLU A 112 14.538 6.369 -1.067 1.00 0.00 C ATOM 1721 C GLU A 112 13.454 7.380 -0.691 1.00 0.00 C ATOM 1722 O GLU A 112 13.413 7.892 0.411 1.00 0.00 O ATOM 1723 CB GLU A 112 15.717 7.085 -1.724 1.00 0.00 C ATOM 1724 CG GLU A 112 15.256 7.679 -3.054 1.00 0.00 C ATOM 1725 CD GLU A 112 16.449 8.285 -3.791 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.340 8.784 -3.123 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.451 8.242 -5.010 1.00 0.00 O ATOM 0 H GLU A 112 13.002 5.581 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 112 14.842 5.840 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.092 7.872 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.538 6.387 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.793 6.906 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.499 8.443 -2.879 1.00 0.00 H new ATOM 1734 N GLN A 113 12.571 7.665 -1.615 1.00 0.00 N ATOM 1735 CA GLN A 113 11.473 8.634 -1.341 1.00 0.00 C ATOM 1736 C GLN A 113 10.307 7.926 -0.650 1.00 0.00 C ATOM 1737 O GLN A 113 9.314 8.531 -0.319 1.00 0.00 O ATOM 1738 CB GLN A 113 11.048 9.144 -2.719 1.00 0.00 C ATOM 1739 CG GLN A 113 12.134 10.061 -3.285 1.00 0.00 C ATOM 1740 CD GLN A 113 11.726 10.538 -4.679 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.908 9.749 -5.701 1.00 0.00 O flip ATOM 1742 NE2 GLN A 113 11.235 11.638 -4.840 1.00 0.00 N flip ATOM 0 H GLN A 113 12.566 7.264 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 113 11.788 9.444 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.880 8.304 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.105 9.685 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.282 10.916 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.084 9.529 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.093 12.255 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.965 11.944 -5.775 1.00 0.00 H new ATOM 1751 N LEU A 114 10.422 6.647 -0.426 1.00 0.00 N ATOM 1752 CA LEU A 114 9.316 5.910 0.249 1.00 0.00 C ATOM 1753 C LEU A 114 8.891 6.613 1.546 1.00 0.00 C ATOM 1754 O LEU A 114 7.711 6.783 1.780 1.00 0.00 O ATOM 1755 CB LEU A 114 9.872 4.519 0.542 1.00 0.00 C ATOM 1756 CG LEU A 114 10.014 3.736 -0.765 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.493 3.447 -1.034 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.255 2.413 -0.645 1.00 0.00 C ATOM 0 H LEU A 114 11.231 6.081 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 114 8.425 5.866 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.840 4.600 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.209 3.988 1.225 1.00 0.00 H new ATOM 0 HG LEU A 114 9.605 4.324 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.591 2.889 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 114 12.039 4.387 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.904 2.858 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.353 1.852 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.669 1.829 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.201 2.614 -0.453 1.00 0.00 H new ATOM 1770 N PRO A 115 9.847 7.007 2.360 1.00 0.00 N ATOM 1771 CA PRO A 115 9.502 7.693 3.630 1.00 0.00 C ATOM 1772 C PRO A 115 8.790 9.005 3.325 1.00 0.00 C ATOM 1773 O PRO A 115 7.672 9.222 3.747 1.00 0.00 O ATOM 1774 CB PRO A 115 10.855 7.909 4.308 1.00 0.00 C ATOM 1775 CG PRO A 115 11.842 7.872 3.191 1.00 0.00 C ATOM 1776 CD PRO A 115 11.303 6.878 2.197 1.00 0.00 C ATOM 0 HA PRO A 115 8.823 7.129 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.887 8.863 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 115 11.059 7.131 5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.955 8.856 2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.826 7.571 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.618 7.112 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.645 5.866 2.412 1.00 0.00 H new ATOM 1784 N TYR A 116 9.402 9.873 2.570 1.00 0.00 N ATOM 1785 CA TYR A 116 8.712 11.141 2.224 1.00 0.00 C ATOM 1786 C TYR A 116 7.441 10.793 1.438 1.00 0.00 C ATOM 1787 O TYR A 116 6.395 11.378 1.630 1.00 0.00 O ATOM 1788 CB TYR A 116 9.735 11.940 1.394 1.00 0.00 C ATOM 1789 CG TYR A 116 9.214 12.204 0.000 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.072 12.992 -0.184 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.869 11.652 -1.102 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.588 13.229 -1.477 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.388 11.889 -2.392 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.246 12.678 -2.582 1.00 0.00 C ATOM 1795 OH TYR A 116 7.773 12.913 -3.859 1.00 0.00 O ATOM 0 H TYR A 116 10.339 9.760 2.183 1.00 0.00 H new ATOM 0 HA TYR A 116 8.396 11.732 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.952 12.886 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.673 11.388 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.565 13.417 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.748 11.041 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.707 13.837 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.897 11.463 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 116 8.461 12.670 -4.513 1.00 0.00 H new ATOM 1805 N GLN A 117 7.535 9.827 0.564 1.00 0.00 N ATOM 1806 CA GLN A 117 6.345 9.410 -0.227 1.00 0.00 C ATOM 1807 C GLN A 117 5.266 8.896 0.713 1.00 0.00 C ATOM 1808 O GLN A 117 4.105 9.215 0.572 1.00 0.00 O ATOM 1809 CB GLN A 117 6.837 8.294 -1.149 1.00 0.00 C ATOM 1810 CG GLN A 117 7.662 8.899 -2.286 1.00 0.00 C ATOM 1811 CD GLN A 117 6.755 9.177 -3.489 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.818 8.445 -3.739 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.997 10.210 -4.249 1.00 0.00 N ATOM 0 H GLN A 117 8.390 9.307 0.364 1.00 0.00 H new ATOM 0 HA GLN A 117 5.915 10.233 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.441 7.582 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.989 7.742 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.135 9.823 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.462 8.216 -2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.784 10.824 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.400 10.403 -5.053 1.00 0.00 H new ATOM 1822 N VAL A 118 5.640 8.118 1.687 1.00 0.00 N ATOM 1823 CA VAL A 118 4.623 7.610 2.646 1.00 0.00 C ATOM 1824 C VAL A 118 3.835 8.795 3.201 1.00 0.00 C ATOM 1825 O VAL A 118 2.623 8.798 3.198 1.00 0.00 O ATOM 1826 CB VAL A 118 5.422 6.902 3.747 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.626 6.887 5.055 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.696 5.463 3.314 1.00 0.00 C ATOM 0 H VAL A 118 6.598 7.813 1.860 1.00 0.00 H new ATOM 0 HA VAL A 118 3.905 6.927 2.191 1.00 0.00 H new ATOM 0 HB VAL A 118 6.359 7.435 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.205 6.381 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.420 7.911 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.685 6.358 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.264 4.951 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.750 4.945 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.269 5.465 2.387 1.00 0.00 H new ATOM 1838 N ASP A 119 4.509 9.815 3.659 1.00 0.00 N ATOM 1839 CA ASP A 119 3.773 10.994 4.192 1.00 0.00 C ATOM 1840 C ASP A 119 2.878 11.567 3.093 1.00 0.00 C ATOM 1841 O ASP A 119 1.748 11.942 3.332 1.00 0.00 O ATOM 1842 CB ASP A 119 4.856 11.999 4.586 1.00 0.00 C ATOM 1843 CG ASP A 119 5.692 11.426 5.734 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.118 11.127 6.767 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.892 11.299 5.558 1.00 0.00 O ATOM 0 H ASP A 119 5.526 9.882 3.687 1.00 0.00 H new ATOM 0 HA ASP A 119 3.134 10.746 5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.495 12.216 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.400 12.941 4.890 1.00 0.00 H new ATOM 1850 N ALA A 120 3.368 11.613 1.883 1.00 0.00 N ATOM 1851 CA ALA A 120 2.533 12.135 0.765 1.00 0.00 C ATOM 1852 C ALA A 120 1.433 11.122 0.455 1.00 0.00 C ATOM 1853 O ALA A 120 0.290 11.472 0.237 1.00 0.00 O ATOM 1854 CB ALA A 120 3.489 12.276 -0.423 1.00 0.00 C ATOM 0 H ALA A 120 4.307 11.313 1.622 1.00 0.00 H new ATOM 0 HA ALA A 120 2.054 13.085 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.943 12.657 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.290 12.969 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.916 11.302 -0.664 1.00 0.00 H new ATOM 1860 N ALA A 121 1.773 9.860 0.449 1.00 0.00 N ATOM 1861 CA ALA A 121 0.754 8.810 0.173 1.00 0.00 C ATOM 1862 C ALA A 121 -0.343 8.867 1.235 1.00 0.00 C ATOM 1863 O ALA A 121 -1.516 8.759 0.936 1.00 0.00 O ATOM 1864 CB ALA A 121 1.523 7.487 0.252 1.00 0.00 C ATOM 0 H ALA A 121 2.716 9.512 0.624 1.00 0.00 H new ATOM 0 HA ALA A 121 0.268 8.936 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.842 6.658 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.318 7.483 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.957 7.377 1.246 1.00 0.00 H new ATOM 1870 N LEU A 122 0.026 9.048 2.475 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.005 9.126 3.546 1.00 0.00 C ATOM 1872 C LEU A 122 -1.915 10.325 3.285 1.00 0.00 C ATOM 1873 O LEU A 122 -3.118 10.193 3.185 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.221 9.318 4.843 1.00 0.00 C ATOM 1875 CG LEU A 122 0.723 8.135 5.045 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.908 8.570 5.907 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.023 6.997 5.741 1.00 0.00 C ATOM 0 H LEU A 122 0.991 9.145 2.790 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.636 8.238 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.347 10.248 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.906 9.399 5.687 1.00 0.00 H new ATOM 0 HG LEU A 122 1.085 7.791 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.582 7.726 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.442 9.380 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.546 8.915 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.652 6.153 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.387 7.339 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.867 6.686 5.126 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.348 11.491 3.147 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.183 12.692 2.868 1.00 0.00 C ATOM 1891 C ALA A 123 -2.931 12.495 1.551 1.00 0.00 C ATOM 1892 O ALA A 123 -4.103 12.792 1.439 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.194 13.852 2.752 1.00 0.00 C ATOM 0 H ALA A 123 -0.345 11.664 3.215 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.926 12.875 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.737 14.774 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.644 13.956 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.495 13.654 1.940 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.258 11.988 0.553 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.930 11.763 -0.756 1.00 0.00 C ATOM 1901 C GLU A 124 -4.070 10.757 -0.591 1.00 0.00 C ATOM 1902 O GLU A 124 -5.090 10.851 -1.243 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.835 11.208 -1.668 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.355 11.122 -3.105 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.767 12.515 -3.585 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -2.050 13.457 -3.291 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.793 12.616 -4.238 1.00 0.00 O ATOM 0 H GLU A 124 -1.274 11.721 0.589 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.371 12.672 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.955 11.850 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.526 10.221 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.583 10.715 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.206 10.443 -3.155 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.906 9.793 0.274 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.986 8.785 0.472 1.00 0.00 C ATOM 1916 C PHE A 125 -6.096 9.338 1.373 1.00 0.00 C ATOM 1917 O PHE A 125 -7.267 9.146 1.110 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.307 7.589 1.137 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.335 6.512 1.388 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -6.240 6.648 2.447 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.388 5.383 0.562 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -7.199 5.657 2.680 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.347 4.390 0.797 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.252 4.527 1.857 1.00 0.00 C ATOM 0 H PHE A 125 -3.075 9.660 0.850 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.458 8.515 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.510 7.207 0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.845 7.894 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -6.198 7.519 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.690 5.278 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.899 5.764 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.389 3.518 0.161 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.991 3.760 2.039 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.748 10.017 2.436 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.803 10.562 3.342 1.00 0.00 C ATOM 1936 C LEU A 126 -7.721 11.518 2.577 1.00 0.00 C ATOM 1937 O LEU A 126 -8.930 11.418 2.644 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.052 11.319 4.436 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.246 10.341 5.291 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.520 11.118 6.389 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.187 9.317 5.930 1.00 0.00 C ATOM 0 H LEU A 126 -4.787 10.216 2.714 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.430 9.770 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.386 12.057 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.758 11.865 5.062 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.521 9.821 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.943 10.427 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.849 11.848 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.250 11.635 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.609 8.622 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.913 9.833 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.710 8.766 5.148 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.159 12.445 1.850 1.00 0.00 N ATOM 1954 CA ARG A 127 -8.007 13.401 1.085 1.00 0.00 C ATOM 1955 C ARG A 127 -8.879 12.639 0.085 1.00 0.00 C ATOM 1956 O ARG A 127 -10.029 12.968 -0.131 1.00 0.00 O ATOM 1957 CB ARG A 127 -7.018 14.317 0.364 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.764 15.520 -0.217 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.794 16.373 -1.037 1.00 0.00 C ATOM 1960 NE ARG A 127 -5.735 16.780 -0.072 1.00 0.00 N ATOM 1961 CZ ARG A 127 -5.949 17.760 0.768 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -7.093 18.389 0.768 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -5.019 18.112 1.610 1.00 0.00 N ATOM 0 H ARG A 127 -6.153 12.581 1.753 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.684 13.967 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.247 14.654 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.514 13.770 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.588 15.182 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.199 16.115 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.375 15.806 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -7.295 17.242 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.839 16.293 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.825 18.117 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.255 19.152 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.124 17.623 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.186 18.876 2.265 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.338 11.623 -0.528 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.134 10.836 -1.510 1.00 0.00 C ATOM 1979 C LEU A 128 -9.982 9.787 -0.787 1.00 0.00 C ATOM 1980 O LEU A 128 -11.003 9.351 -1.284 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.094 10.169 -2.412 1.00 0.00 C ATOM 1982 CG LEU A 128 -7.782 11.090 -3.592 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.303 12.447 -3.069 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -6.687 10.460 -4.454 1.00 0.00 C ATOM 0 H LEU A 128 -7.379 11.304 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.826 11.457 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.185 9.962 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.470 9.211 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.682 11.230 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.081 13.103 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -8.083 12.896 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.404 12.309 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -6.464 11.116 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.787 10.320 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.028 9.494 -4.827 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.573 9.378 0.385 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.362 8.355 1.133 1.00 0.00 C ATOM 1998 C ALA A 129 -11.770 8.891 1.440 1.00 0.00 C ATOM 1999 O ALA A 129 -11.915 10.030 1.842 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.587 8.123 2.433 1.00 0.00 C ATOM 0 H ALA A 129 -8.730 9.707 0.855 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.486 7.435 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.107 7.381 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.585 7.764 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.517 9.059 2.987 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.768 8.059 1.249 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.552 6.672 0.756 1.00 0.00 C ATOM 2008 C PRO A 130 -12.183 6.692 -0.732 1.00 0.00 C ATOM 2009 O PRO A 130 -12.828 7.335 -1.535 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.901 5.997 0.978 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.897 7.112 0.978 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.189 8.342 1.481 1.00 0.00 C ATOM 0 HA PRO A 130 -11.739 6.154 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.116 5.276 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.919 5.452 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.289 7.277 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.746 6.869 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.510 9.234 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.393 8.515 2.538 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.141 5.997 -1.100 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.720 5.987 -2.530 1.00 0.00 C ATOM 2022 C VAL A 131 -11.575 5.014 -3.345 1.00 0.00 C ATOM 2023 O VAL A 131 -12.262 4.169 -2.806 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.267 5.518 -2.516 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.646 5.746 -3.896 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.482 6.307 -1.466 1.00 0.00 C ATOM 0 H VAL A 131 -10.564 5.436 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.836 6.970 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.231 4.457 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.609 5.412 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.203 5.181 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.683 6.807 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.445 5.970 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.517 7.369 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.924 6.144 -0.483 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.519 5.123 -4.643 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.307 4.204 -5.511 1.00 0.00 C ATOM 2038 C GLU A 132 -11.474 2.959 -5.827 1.00 0.00 C ATOM 2039 O GLU A 132 -10.558 3.001 -6.623 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.573 5.006 -6.784 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.156 6.372 -6.417 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.791 7.007 -7.656 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.050 7.468 -8.509 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -15.008 7.019 -7.730 1.00 0.00 O ATOM 0 H GLU A 132 -10.958 5.813 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.231 3.866 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.648 5.133 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.266 4.465 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.902 6.261 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.372 7.020 -6.025 1.00 0.00 H new ATOM 2051 N THR A 133 -11.771 1.854 -5.198 1.00 0.00 N ATOM 2052 CA THR A 133 -10.980 0.614 -5.454 1.00 0.00 C ATOM 2053 C THR A 133 -11.793 -0.413 -6.247 1.00 0.00 C ATOM 2054 O THR A 133 -12.128 -1.469 -5.749 1.00 0.00 O ATOM 2055 CB THR A 133 -10.638 0.070 -4.065 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.653 0.448 -3.147 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.293 0.637 -3.610 1.00 0.00 C ATOM 0 H THR A 133 -12.526 1.755 -4.519 1.00 0.00 H new ATOM 0 HA THR A 133 -10.091 0.822 -6.050 1.00 0.00 H new ATOM 0 HB THR A 133 -10.574 -1.017 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.621 -0.140 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.050 0.249 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.516 0.342 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.352 1.725 -3.569 1.00 0.00 H new ATOM 2065 N MET A 134 -12.101 -0.124 -7.481 1.00 0.00 N ATOM 2066 CA MET A 134 -12.876 -1.105 -8.294 1.00 0.00 C ATOM 2067 C MET A 134 -11.926 -2.156 -8.880 1.00 0.00 C ATOM 2068 O MET A 134 -12.341 -3.065 -9.572 1.00 0.00 O ATOM 2069 CB MET A 134 -13.529 -0.286 -9.410 1.00 0.00 C ATOM 2070 CG MET A 134 -14.484 0.739 -8.796 1.00 0.00 C ATOM 2071 SD MET A 134 -15.528 1.453 -10.093 1.00 0.00 S ATOM 2072 CE MET A 134 -14.215 2.265 -11.036 1.00 0.00 C ATOM 0 H MET A 134 -11.852 0.742 -7.959 1.00 0.00 H new ATOM 0 HA MET A 134 -13.621 -1.636 -7.702 1.00 0.00 H new ATOM 0 HB2 MET A 134 -12.765 0.220 -9.999 1.00 0.00 H new ATOM 0 HB3 MET A 134 -14.072 -0.944 -10.089 1.00 0.00 H new ATOM 0 HG2 MET A 134 -15.105 0.263 -8.037 1.00 0.00 H new ATOM 0 HG3 MET A 134 -13.917 1.526 -8.297 1.00 0.00 H new ATOM 0 HE1 MET A 134 -14.647 3.045 -11.663 1.00 0.00 H new ATOM 0 HE2 MET A 134 -13.494 2.709 -10.349 1.00 0.00 H new ATOM 0 HE3 MET A 134 -13.712 1.531 -11.665 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.654 -2.037 -8.610 1.00 0.00 N ATOM 2083 CA ALA A 135 -9.679 -3.025 -9.154 1.00 0.00 C ATOM 2084 C ALA A 135 -9.795 -3.095 -10.679 1.00 0.00 C ATOM 2085 O ALA A 135 -9.438 -2.124 -11.326 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.070 -4.363 -8.525 1.00 0.00 C ATOM 2087 OXT ALA A 135 -10.242 -4.116 -11.175 1.00 0.00 O ATOM 0 H ALA A 135 -10.248 -1.298 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 135 -8.648 -2.755 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.395 -5.142 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -10.001 -4.289 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.093 -4.613 -8.807 1.00 0.00 H new