USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=21 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 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.0825 X(o=0.082,f=0.14) USER MOD Set 2.1: A 110 GLN : amide:sc= -0.0379 X(o=-2.7,f=-2.6) USER MOD Set 2.2: A 113 GLN : amide:sc= -2.62 K(o=-2.7,f=-0.62) USER MOD Set 3.1: A 45 GLN : amide:sc= -6.3! C(o=-7.5!,f=-15!) USER MOD Set 3.2: A 69 GLN : amide:sc= -1.24! K(o=-7.5!,f=-8.5) USER MOD Set 4.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 47 HIS : no HD1:sc= -5.11! C(o=-9.9!,f=-6.6!) USER MOD Set 4.3: A 50 GLN : amide:sc= -4.79! C(o=-9.9!,f=-15!) USER MOD Set 5.1: A 8 CYS SG : rot 145:sc= -0.922 USER MOD Set 5.2: A 34 CYS SG : rot 137:sc= -1.3 USER MOD Single : A 4 GLN : amide:sc= -0.0639 K(o=-0.064,f=-1.3!) USER MOD Single : A 13 SER OG : rot 170:sc= 0 USER MOD Single : A 14 THR OG1 : rot 102:sc= 0.118 USER MOD Single : A 18 GLN : amide:sc= -2.01 K(o=-2,f=-4.1!) USER MOD Single : A 20 CYS SG : rot 84:sc= -1.37 USER MOD Single : A 21 GLN : amide:sc= -8.19! C(o=-8.2!,f=-9.7!) USER MOD Single : A 25 SER OG : rot -143:sc= 0.982 USER MOD Single : A 29 TYR OH : rot 165:sc= -2.09! USER MOD Single : A 30 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.69) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -151:sc= -0.244 (180deg=-1.41!) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.71! USER MOD Single : A 53 CYS SG : rot 28:sc= -1.02! USER MOD Single : A 60 ASN : amide:sc= -1 K(o=-1,f=-1.9!) USER MOD Single : A 62 SER OG : rot 52:sc= -0.295 USER MOD Single : A 68 GLN : amide:sc= -2.26! C(o=-2.3!,f=-1.8!) USER MOD Single : A 71 CYS SG : rot 25:sc= -1.82 USER MOD Single : A 99 TYR OH : rot -11:sc= 0.71 USER MOD Single : A 100 HIS : no HE2:sc= -17.2! C(o=-17!,f=-20!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -0.209 X(o=-0.21,f=-0.48) USER MOD Single : A 109 HIS : no HD1:sc= -4.72! K(o=-4.7!,f=-2.8) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 134 MET CE :methyl -156:sc= -0.636 (180deg=-2.52!) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.703 5.229 15.465 1.00 0.00 N ATOM 51 CA GLN A 4 4.355 4.308 14.492 1.00 0.00 C ATOM 52 C GLN A 4 3.422 4.037 13.308 1.00 0.00 C ATOM 53 O GLN A 4 2.219 4.171 13.405 1.00 0.00 O ATOM 54 CB GLN A 4 4.640 3.028 15.275 1.00 0.00 C ATOM 55 CG GLN A 4 5.804 3.287 16.230 1.00 0.00 C ATOM 56 CD GLN A 4 6.588 1.992 16.458 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.109 0.917 16.159 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.786 2.052 16.978 1.00 0.00 N ATOM 0 HA GLN A 4 5.269 4.730 14.075 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.755 2.721 15.832 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.885 2.214 14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.461 4.052 15.817 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.429 3.667 17.180 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.188 2.955 17.229 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.318 1.196 17.133 1.00 0.00 H new ATOM 67 N ILE A 5 3.976 3.672 12.185 1.00 0.00 N ATOM 68 CA ILE A 5 3.140 3.408 10.978 1.00 0.00 C ATOM 69 C ILE A 5 3.220 1.938 10.564 1.00 0.00 C ATOM 70 O ILE A 5 4.271 1.328 10.614 1.00 0.00 O ATOM 71 CB ILE A 5 3.758 4.282 9.890 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.669 5.753 10.297 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.016 4.069 8.571 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.373 6.611 9.245 1.00 0.00 C ATOM 0 H ILE A 5 4.979 3.544 12.050 1.00 0.00 H new ATOM 0 HA ILE A 5 2.088 3.627 11.158 1.00 0.00 H new ATOM 0 HB ILE A 5 4.805 4.006 9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.626 6.054 10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.132 5.901 11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.461 4.695 7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.090 3.022 8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.967 4.338 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.312 7.661 9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.420 6.314 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.890 6.470 8.278 1.00 0.00 H new ATOM 86 N ALA A 6 2.127 1.365 10.133 1.00 0.00 N ATOM 87 CA ALA A 6 2.163 -0.052 9.693 1.00 0.00 C ATOM 88 C ALA A 6 2.260 -0.098 8.174 1.00 0.00 C ATOM 89 O ALA A 6 1.330 0.242 7.469 1.00 0.00 O ATOM 90 CB ALA A 6 0.853 -0.660 10.168 1.00 0.00 C ATOM 0 H ALA A 6 1.216 1.819 10.068 1.00 0.00 H new ATOM 0 HA ALA A 6 3.017 -0.597 10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.812 -1.709 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.788 -0.582 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.018 -0.125 9.716 1.00 0.00 H new ATOM 96 N ILE A 7 3.383 -0.499 7.668 1.00 0.00 N ATOM 97 CA ILE A 7 3.555 -0.552 6.192 1.00 0.00 C ATOM 98 C ILE A 7 3.766 -1.991 5.728 1.00 0.00 C ATOM 99 O ILE A 7 4.734 -2.634 6.085 1.00 0.00 O ATOM 100 CB ILE A 7 4.797 0.301 5.919 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.496 1.760 6.275 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.184 0.203 4.442 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.621 2.666 5.764 1.00 0.00 C ATOM 0 H ILE A 7 4.194 -0.794 8.211 1.00 0.00 H new ATOM 0 HA ILE A 7 2.680 -0.185 5.656 1.00 0.00 H new ATOM 0 HB ILE A 7 5.625 -0.063 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.546 2.062 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.394 1.866 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.068 0.813 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.400 -0.835 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.360 0.562 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.399 3.702 6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.563 2.371 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.702 2.570 4.681 1.00 0.00 H new ATOM 115 N CYS A 8 2.873 -2.501 4.925 1.00 0.00 N ATOM 116 CA CYS A 8 3.030 -3.893 4.429 1.00 0.00 C ATOM 117 C CYS A 8 3.568 -3.859 3.003 1.00 0.00 C ATOM 118 O CYS A 8 2.992 -3.244 2.127 1.00 0.00 O ATOM 119 CB CYS A 8 1.625 -4.494 4.461 1.00 0.00 C ATOM 120 SG CYS A 8 1.730 -6.289 4.251 1.00 0.00 S ATOM 0 H CYS A 8 2.042 -2.012 4.592 1.00 0.00 H new ATOM 0 HA CYS A 8 3.726 -4.479 5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.138 -4.256 5.406 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.014 -4.060 3.669 1.00 0.00 H new ATOM 0 HG CYS A 8 0.799 -6.863 4.954 1.00 0.00 H new ATOM 126 N ILE A 9 4.669 -4.504 2.756 1.00 0.00 N ATOM 127 CA ILE A 9 5.230 -4.489 1.380 1.00 0.00 C ATOM 128 C ILE A 9 5.254 -5.886 0.789 1.00 0.00 C ATOM 129 O ILE A 9 5.508 -6.862 1.468 1.00 0.00 O ATOM 130 CB ILE A 9 6.663 -3.992 1.526 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.376 -4.075 0.167 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.391 -4.881 2.528 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.854 -3.713 0.336 1.00 0.00 C ATOM 0 H ILE A 9 5.203 -5.038 3.442 1.00 0.00 H new ATOM 0 HA ILE A 9 4.629 -3.861 0.723 1.00 0.00 H new ATOM 0 HB ILE A 9 6.662 -2.958 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.283 -5.081 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.905 -3.396 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.419 -4.536 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.884 -4.834 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.392 -5.910 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.356 -3.773 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.938 -2.699 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.322 -4.409 1.032 1.00 0.00 H new ATOM 145 N TRP A 10 5.044 -5.979 -0.483 1.00 0.00 N ATOM 146 CA TRP A 10 5.109 -7.310 -1.143 1.00 0.00 C ATOM 147 C TRP A 10 6.229 -7.281 -2.171 1.00 0.00 C ATOM 148 O TRP A 10 6.089 -6.729 -3.244 1.00 0.00 O ATOM 149 CB TRP A 10 3.768 -7.545 -1.828 1.00 0.00 C ATOM 150 CG TRP A 10 3.891 -8.760 -2.698 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.875 -9.689 -2.598 1.00 0.00 C ATOM 152 CD2 TRP A 10 3.032 -9.194 -3.787 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.675 -10.660 -3.561 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.552 -10.400 -4.319 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.867 -8.663 -4.360 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.932 -11.055 -5.383 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.241 -9.319 -5.430 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.772 -10.512 -5.942 1.00 0.00 C ATOM 0 H TRP A 10 4.830 -5.195 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 10 5.305 -8.108 -0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.982 -7.687 -1.086 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.489 -6.677 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.683 -9.672 -1.882 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.282 -11.469 -3.695 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.450 -7.744 -3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.345 -11.974 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.343 -8.902 -5.863 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.285 -11.010 -6.767 1.00 0.00 H new ATOM 169 N VAL A 11 7.347 -7.848 -1.844 1.00 0.00 N ATOM 170 CA VAL A 11 8.486 -7.827 -2.791 1.00 0.00 C ATOM 171 C VAL A 11 9.258 -9.144 -2.713 1.00 0.00 C ATOM 172 O VAL A 11 9.609 -9.611 -1.647 1.00 0.00 O ATOM 173 CB VAL A 11 9.337 -6.652 -2.315 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.483 -6.717 -0.794 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.714 -6.720 -2.968 1.00 0.00 C ATOM 0 H VAL A 11 7.523 -8.326 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 11 8.181 -7.717 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 11 8.855 -5.715 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.090 -5.879 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.497 -6.665 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.966 -7.654 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.320 -5.881 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.202 -7.655 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.606 -6.673 -4.052 1.00 0.00 H new ATOM 185 N GLU A 12 9.514 -9.749 -3.836 1.00 0.00 N ATOM 186 CA GLU A 12 10.255 -11.042 -3.836 1.00 0.00 C ATOM 187 C GLU A 12 11.763 -10.790 -3.911 1.00 0.00 C ATOM 188 O GLU A 12 12.562 -11.698 -3.794 1.00 0.00 O ATOM 189 CB GLU A 12 9.755 -11.776 -5.080 1.00 0.00 C ATOM 190 CG GLU A 12 8.307 -12.219 -4.856 1.00 0.00 C ATOM 191 CD GLU A 12 7.769 -12.869 -6.130 1.00 0.00 C ATOM 192 OE1 GLU A 12 8.533 -13.001 -7.073 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.601 -13.221 -6.143 1.00 0.00 O ATOM 0 H GLU A 12 9.242 -9.405 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 12 10.086 -11.622 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.818 -11.124 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.385 -12.642 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.256 -12.924 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.691 -11.362 -4.585 1.00 0.00 H new ATOM 200 N SER A 13 12.157 -9.560 -4.092 1.00 0.00 N ATOM 201 CA SER A 13 13.612 -9.241 -4.160 1.00 0.00 C ATOM 202 C SER A 13 14.056 -8.597 -2.846 1.00 0.00 C ATOM 203 O SER A 13 13.523 -7.588 -2.428 1.00 0.00 O ATOM 204 CB SER A 13 13.749 -8.248 -5.314 1.00 0.00 C ATOM 205 OG SER A 13 15.072 -8.309 -5.831 1.00 0.00 O ATOM 0 H SER A 13 11.533 -8.760 -4.196 1.00 0.00 H new ATOM 0 HA SER A 13 14.228 -10.127 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.029 -8.482 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.527 -7.238 -4.968 1.00 0.00 H new ATOM 0 HG SER A 13 15.121 -7.799 -6.666 1.00 0.00 H new ATOM 211 N THR A 14 15.022 -9.172 -2.186 1.00 0.00 N ATOM 212 CA THR A 14 15.488 -8.590 -0.896 1.00 0.00 C ATOM 213 C THR A 14 16.000 -7.161 -1.116 1.00 0.00 C ATOM 214 O THR A 14 15.899 -6.318 -0.247 1.00 0.00 O ATOM 215 CB THR A 14 16.619 -9.510 -0.434 1.00 0.00 C ATOM 216 OG1 THR A 14 16.343 -10.842 -0.847 1.00 0.00 O ATOM 217 CG2 THR A 14 16.727 -9.465 1.090 1.00 0.00 C ATOM 0 H THR A 14 15.508 -10.018 -2.483 1.00 0.00 H new ATOM 0 HA THR A 14 14.691 -8.527 -0.155 1.00 0.00 H new ATOM 0 HB THR A 14 17.559 -9.177 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.881 -11.057 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.533 -10.121 1.417 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.937 -8.444 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.787 -9.797 1.531 1.00 0.00 H new ATOM 225 N ALA A 15 16.542 -6.878 -2.273 1.00 0.00 N ATOM 226 CA ALA A 15 17.048 -5.496 -2.538 1.00 0.00 C ATOM 227 C ALA A 15 15.877 -4.509 -2.554 1.00 0.00 C ATOM 228 O ALA A 15 15.876 -3.524 -1.844 1.00 0.00 O ATOM 229 CB ALA A 15 17.716 -5.570 -3.910 1.00 0.00 C ATOM 0 H ALA A 15 16.656 -7.539 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 15 17.744 -5.153 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.113 -4.590 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.529 -6.295 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.983 -5.878 -4.656 1.00 0.00 H new ATOM 235 N ILE A 16 14.864 -4.781 -3.334 1.00 0.00 N ATOM 236 CA ILE A 16 13.680 -3.872 -3.358 1.00 0.00 C ATOM 237 C ILE A 16 13.108 -3.833 -1.951 1.00 0.00 C ATOM 238 O ILE A 16 12.769 -2.792 -1.422 1.00 0.00 O ATOM 239 CB ILE A 16 12.694 -4.522 -4.333 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.131 -4.224 -5.770 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.283 -3.969 -4.107 1.00 0.00 C ATOM 242 CD1 ILE A 16 13.050 -5.503 -6.604 1.00 0.00 C ATOM 0 H ILE A 16 14.805 -5.590 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 16 13.910 -2.852 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 16 12.685 -5.599 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.493 -3.454 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.149 -3.836 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.592 -4.439 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.968 -4.183 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.285 -2.891 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.361 -5.291 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.707 -6.260 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.024 -5.872 -6.606 1.00 0.00 H new ATOM 254 N LEU A 17 13.035 -4.977 -1.334 1.00 0.00 N ATOM 255 CA LEU A 17 12.530 -5.048 0.055 1.00 0.00 C ATOM 256 C LEU A 17 13.460 -4.225 0.949 1.00 0.00 C ATOM 257 O LEU A 17 13.035 -3.335 1.655 1.00 0.00 O ATOM 258 CB LEU A 17 12.598 -6.544 0.393 1.00 0.00 C ATOM 259 CG LEU A 17 12.554 -6.760 1.907 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.936 -6.485 2.501 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.527 -5.817 2.536 1.00 0.00 C ATOM 0 H LEU A 17 13.307 -5.872 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 17 11.523 -4.654 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.765 -7.066 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.514 -6.972 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 17 12.267 -7.791 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.906 -6.639 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.664 -7.164 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.225 -5.456 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.500 -5.975 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.806 -4.784 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.542 -6.019 2.115 1.00 0.00 H new ATOM 273 N GLN A 18 14.734 -4.505 0.899 1.00 0.00 N ATOM 274 CA GLN A 18 15.707 -3.731 1.723 1.00 0.00 C ATOM 275 C GLN A 18 15.690 -2.259 1.306 1.00 0.00 C ATOM 276 O GLN A 18 15.722 -1.369 2.131 1.00 0.00 O ATOM 277 CB GLN A 18 17.067 -4.359 1.419 1.00 0.00 C ATOM 278 CG GLN A 18 17.303 -5.544 2.356 1.00 0.00 C ATOM 279 CD GLN A 18 18.368 -6.464 1.761 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.405 -6.677 0.565 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.243 -7.024 2.550 1.00 0.00 N ATOM 0 H GLN A 18 15.144 -5.239 0.321 1.00 0.00 H new ATOM 0 HA GLN A 18 15.472 -3.765 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.103 -4.690 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.857 -3.619 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.622 -5.188 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.374 -6.094 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.212 -6.846 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.958 -7.640 2.163 1.00 0.00 H new ATOM 290 N ASP A 19 15.636 -1.998 0.028 1.00 0.00 N ATOM 291 CA ASP A 19 15.613 -0.583 -0.439 1.00 0.00 C ATOM 292 C ASP A 19 14.362 0.115 0.090 1.00 0.00 C ATOM 293 O ASP A 19 14.411 1.245 0.534 1.00 0.00 O ATOM 294 CB ASP A 19 15.581 -0.669 -1.965 1.00 0.00 C ATOM 295 CG ASP A 19 16.955 -1.094 -2.488 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.940 -0.761 -1.849 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.000 -1.744 -3.520 1.00 0.00 O ATOM 0 H ASP A 19 15.607 -2.701 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 19 16.472 -0.012 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.823 -1.385 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.304 0.297 -2.387 1.00 0.00 H new ATOM 302 N CYS A 20 13.243 -0.555 0.063 1.00 0.00 N ATOM 303 CA CYS A 20 11.995 0.066 0.587 1.00 0.00 C ATOM 304 C CYS A 20 12.127 0.237 2.101 1.00 0.00 C ATOM 305 O CYS A 20 11.807 1.270 2.655 1.00 0.00 O ATOM 306 CB CYS A 20 10.885 -0.931 0.248 1.00 0.00 C ATOM 307 SG CYS A 20 10.658 -0.999 -1.546 1.00 0.00 S ATOM 0 H CYS A 20 13.139 -1.503 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 20 11.791 1.048 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.141 -1.919 0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.955 -0.633 0.732 1.00 0.00 H new ATOM 0 HG CYS A 20 11.527 -1.817 -2.063 1.00 0.00 H new ATOM 313 N GLN A 21 12.622 -0.772 2.767 1.00 0.00 N ATOM 314 CA GLN A 21 12.809 -0.685 4.241 1.00 0.00 C ATOM 315 C GLN A 21 13.852 0.375 4.558 1.00 0.00 C ATOM 316 O GLN A 21 13.667 1.215 5.417 1.00 0.00 O ATOM 317 CB GLN A 21 13.317 -2.055 4.654 1.00 0.00 C ATOM 318 CG GLN A 21 12.206 -3.066 4.431 1.00 0.00 C ATOM 319 CD GLN A 21 12.672 -4.439 4.882 1.00 0.00 C ATOM 320 OE1 GLN A 21 13.841 -4.763 4.803 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.797 -5.262 5.362 1.00 0.00 N ATOM 0 H GLN A 21 12.906 -1.658 2.349 1.00 0.00 H new ATOM 0 HA GLN A 21 11.892 -0.415 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.198 -2.325 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.618 -2.048 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.315 -2.772 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.930 -3.092 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.817 -4.985 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.087 -6.188 5.677 1.00 0.00 H new ATOM 330 N ARG A 22 14.949 0.347 3.853 1.00 0.00 N ATOM 331 CA ARG A 22 16.008 1.356 4.089 1.00 0.00 C ATOM 332 C ARG A 22 15.376 2.739 4.124 1.00 0.00 C ATOM 333 O ARG A 22 15.569 3.504 5.048 1.00 0.00 O ATOM 334 CB ARG A 22 16.919 1.213 2.881 1.00 0.00 C ATOM 335 CG ARG A 22 17.920 0.082 3.131 1.00 0.00 C ATOM 336 CD ARG A 22 18.671 -0.239 1.838 1.00 0.00 C ATOM 337 NE ARG A 22 19.766 -1.158 2.253 1.00 0.00 N ATOM 338 CZ ARG A 22 20.340 -1.938 1.377 1.00 0.00 C ATOM 339 NH1 ARG A 22 19.953 -1.924 0.131 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.303 -2.737 1.750 1.00 0.00 N ATOM 0 H ARG A 22 15.154 -0.335 3.123 1.00 0.00 H new ATOM 0 HA ARG A 22 16.544 1.221 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.329 1.001 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.448 2.148 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.625 0.373 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.398 -0.805 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.015 -0.710 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.067 0.665 1.376 1.00 0.00 H new ATOM 0 HE ARG A 22 20.070 -1.179 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.199 -1.302 -0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.404 -2.535 -0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.606 -2.751 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.753 -3.347 1.067 1.00 0.00 H new ATOM 354 N ALA A 23 14.601 3.051 3.126 1.00 0.00 N ATOM 355 CA ALA A 23 13.924 4.370 3.095 1.00 0.00 C ATOM 356 C ALA A 23 12.829 4.388 4.170 1.00 0.00 C ATOM 357 O ALA A 23 12.802 5.255 5.022 1.00 0.00 O ATOM 358 CB ALA A 23 13.339 4.473 1.687 1.00 0.00 C ATOM 0 H ALA A 23 14.408 2.445 2.328 1.00 0.00 H new ATOM 0 HA ALA A 23 14.587 5.210 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.818 5.424 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.143 4.414 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.638 3.655 1.524 1.00 0.00 H new ATOM 364 N LEU A 24 11.941 3.426 4.158 1.00 0.00 N ATOM 365 CA LEU A 24 10.876 3.389 5.202 1.00 0.00 C ATOM 366 C LEU A 24 11.432 2.749 6.476 1.00 0.00 C ATOM 367 O LEU A 24 10.876 1.808 7.012 1.00 0.00 O ATOM 368 CB LEU A 24 9.768 2.529 4.605 1.00 0.00 C ATOM 369 CG LEU A 24 9.290 3.168 3.307 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.169 2.334 2.705 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.771 4.575 3.591 1.00 0.00 C ATOM 0 H LEU A 24 11.908 2.670 3.474 1.00 0.00 H new ATOM 0 HA LEU A 24 10.513 4.381 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.135 1.520 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.940 2.440 5.308 1.00 0.00 H new ATOM 0 HG LEU A 24 10.123 3.218 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.831 2.795 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.535 1.328 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.338 2.281 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.429 5.031 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.941 4.521 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.571 5.179 4.019 1.00 0.00 H new ATOM 383 N SER A 25 12.530 3.256 6.962 1.00 0.00 N ATOM 384 CA SER A 25 13.143 2.691 8.197 1.00 0.00 C ATOM 385 C SER A 25 12.921 3.640 9.373 1.00 0.00 C ATOM 386 O SER A 25 13.329 3.365 10.484 1.00 0.00 O ATOM 387 CB SER A 25 14.631 2.555 7.878 1.00 0.00 C ATOM 388 OG SER A 25 15.128 3.798 7.398 1.00 0.00 O ATOM 0 H SER A 25 13.033 4.044 6.554 1.00 0.00 H new ATOM 0 HA SER A 25 12.705 1.733 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.179 2.252 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.784 1.777 7.130 1.00 0.00 H new ATOM 0 HG SER A 25 15.791 3.636 6.695 1.00 0.00 H new ATOM 394 N ALA A 26 12.270 4.751 9.128 1.00 0.00 N ATOM 395 CA ALA A 26 11.986 5.739 10.211 1.00 0.00 C ATOM 396 C ALA A 26 11.795 5.028 11.555 1.00 0.00 C ATOM 397 O ALA A 26 11.382 3.887 11.613 1.00 0.00 O ATOM 398 CB ALA A 26 10.681 6.418 9.779 1.00 0.00 C ATOM 0 H ALA A 26 11.919 5.017 8.208 1.00 0.00 H new ATOM 0 HA ALA A 26 12.802 6.448 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.396 7.164 10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.826 6.904 8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.892 5.670 9.694 1.00 0.00 H new ATOM 404 N ASP A 27 12.099 5.691 12.634 1.00 0.00 N ATOM 405 CA ASP A 27 11.947 5.050 13.972 1.00 0.00 C ATOM 406 C ASP A 27 10.475 4.736 14.262 1.00 0.00 C ATOM 407 O ASP A 27 10.156 4.073 15.228 1.00 0.00 O ATOM 408 CB ASP A 27 12.480 6.083 14.966 1.00 0.00 C ATOM 409 CG ASP A 27 11.555 7.300 14.985 1.00 0.00 C ATOM 410 OD1 ASP A 27 10.768 7.437 14.062 1.00 0.00 O ATOM 411 OD2 ASP A 27 11.648 8.076 15.923 1.00 0.00 O ATOM 0 H ASP A 27 12.447 6.650 12.649 1.00 0.00 H new ATOM 0 HA ASP A 27 12.483 4.103 14.033 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.543 5.645 15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.489 6.385 14.686 1.00 0.00 H new ATOM 416 N ARG A 28 9.578 5.213 13.445 1.00 0.00 N ATOM 417 CA ARG A 28 8.134 4.942 13.697 1.00 0.00 C ATOM 418 C ARG A 28 7.528 4.076 12.584 1.00 0.00 C ATOM 419 O ARG A 28 6.347 4.151 12.313 1.00 0.00 O ATOM 420 CB ARG A 28 7.477 6.322 13.718 1.00 0.00 C ATOM 421 CG ARG A 28 7.573 6.965 12.333 1.00 0.00 C ATOM 422 CD ARG A 28 6.845 8.311 12.354 1.00 0.00 C ATOM 423 NE ARG A 28 7.711 9.247 11.583 1.00 0.00 N ATOM 424 CZ ARG A 28 8.759 9.788 12.146 1.00 0.00 C ATOM 425 NH1 ARG A 28 9.078 9.479 13.375 1.00 0.00 N ATOM 426 NH2 ARG A 28 9.491 10.638 11.476 1.00 0.00 N ATOM 0 H ARG A 28 9.780 5.775 12.618 1.00 0.00 H new ATOM 0 HA ARG A 28 7.982 4.393 14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.432 6.233 14.015 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.966 6.956 14.458 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.618 7.107 12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.130 6.310 11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.857 8.229 11.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.700 8.662 13.376 1.00 0.00 H new ATOM 0 HE ARG A 28 7.485 9.466 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.508 8.814 13.898 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.897 9.903 13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.244 10.878 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.309 11.062 11.913 1.00 0.00 H new ATOM 440 N TYR A 29 8.313 3.259 11.933 1.00 0.00 N ATOM 441 CA TYR A 29 7.752 2.411 10.846 1.00 0.00 C ATOM 442 C TYR A 29 7.645 0.953 11.279 1.00 0.00 C ATOM 443 O TYR A 29 8.561 0.385 11.839 1.00 0.00 O ATOM 444 CB TYR A 29 8.748 2.530 9.698 1.00 0.00 C ATOM 445 CG TYR A 29 8.311 3.614 8.750 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.966 3.743 8.395 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.255 4.496 8.234 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.571 4.759 7.522 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.868 5.511 7.361 1.00 0.00 C ATOM 450 CZ TYR A 29 7.522 5.646 7.004 1.00 0.00 C ATOM 451 OH TYR A 29 7.133 6.647 6.139 1.00 0.00 O ATOM 0 H TYR A 29 9.311 3.144 12.107 1.00 0.00 H new ATOM 0 HA TYR A 29 6.747 2.734 10.573 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.741 2.755 10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.821 1.580 9.169 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.233 3.058 8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.294 4.394 8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.532 4.860 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.605 6.192 6.961 1.00 0.00 H new ATOM 0 HH TYR A 29 7.852 7.308 6.059 1.00 0.00 H new ATOM 461 N GLN A 30 6.542 0.332 10.979 1.00 0.00 N ATOM 462 CA GLN A 30 6.375 -1.104 11.324 1.00 0.00 C ATOM 463 C GLN A 30 6.385 -1.899 10.019 1.00 0.00 C ATOM 464 O GLN A 30 5.356 -2.192 9.444 1.00 0.00 O ATOM 465 CB GLN A 30 5.022 -1.194 12.026 1.00 0.00 C ATOM 466 CG GLN A 30 4.853 -2.588 12.629 1.00 0.00 C ATOM 467 CD GLN A 30 3.478 -2.699 13.292 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.982 -3.786 13.507 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.838 -1.612 13.629 1.00 0.00 N ATOM 0 H GLN A 30 5.745 0.759 10.507 1.00 0.00 H new ATOM 0 HA GLN A 30 7.161 -1.501 11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.955 -0.437 12.808 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.219 -0.993 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.955 -3.346 11.852 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.637 -2.775 13.362 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.254 -0.698 13.449 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.922 -1.676 14.073 1.00 0.00 H new ATOM 478 N LEU A 31 7.555 -2.198 9.528 1.00 0.00 N ATOM 479 CA LEU A 31 7.674 -2.919 8.228 1.00 0.00 C ATOM 480 C LEU A 31 7.220 -4.376 8.319 1.00 0.00 C ATOM 481 O LEU A 31 7.553 -5.098 9.238 1.00 0.00 O ATOM 482 CB LEU A 31 9.167 -2.862 7.887 1.00 0.00 C ATOM 483 CG LEU A 31 9.530 -1.499 7.281 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.141 -1.473 5.806 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.794 -0.378 8.017 1.00 0.00 C ATOM 0 H LEU A 31 8.443 -1.972 9.976 1.00 0.00 H new ATOM 0 HA LEU A 31 7.037 -2.458 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.758 -3.035 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.416 -3.657 7.184 1.00 0.00 H new ATOM 0 HG LEU A 31 10.605 -1.347 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.400 -0.504 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.677 -2.259 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.068 -1.637 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.061 0.583 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.718 -0.531 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.078 -0.386 9.069 1.00 0.00 H new ATOM 497 N GLN A 32 6.494 -4.811 7.328 1.00 0.00 N ATOM 498 CA GLN A 32 6.035 -6.225 7.272 1.00 0.00 C ATOM 499 C GLN A 32 6.287 -6.735 5.853 1.00 0.00 C ATOM 500 O GLN A 32 5.844 -6.141 4.889 1.00 0.00 O ATOM 501 CB GLN A 32 4.535 -6.192 7.581 1.00 0.00 C ATOM 502 CG GLN A 32 4.237 -7.028 8.832 1.00 0.00 C ATOM 503 CD GLN A 32 5.021 -8.342 8.785 1.00 0.00 C ATOM 504 OE1 GLN A 32 5.542 -8.789 9.788 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.133 -8.982 7.653 1.00 0.00 N ATOM 0 H GLN A 32 6.195 -4.235 6.541 1.00 0.00 H new ATOM 0 HA GLN A 32 6.552 -6.877 7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.210 -5.163 7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.972 -6.580 6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.506 -6.467 9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.169 -7.235 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.696 -8.608 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.657 -9.856 7.611 1.00 0.00 H new ATOM 514 N VAL A 33 7.022 -7.797 5.700 1.00 0.00 N ATOM 515 CA VAL A 33 7.318 -8.283 4.323 1.00 0.00 C ATOM 516 C VAL A 33 6.516 -9.537 3.974 1.00 0.00 C ATOM 517 O VAL A 33 6.485 -10.502 4.713 1.00 0.00 O ATOM 518 CB VAL A 33 8.812 -8.589 4.339 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.288 -8.868 2.914 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.564 -7.382 4.903 1.00 0.00 C ATOM 0 H VAL A 33 7.428 -8.346 6.458 1.00 0.00 H new ATOM 0 HA VAL A 33 7.045 -7.543 3.571 1.00 0.00 H new ATOM 0 HB VAL A 33 9.003 -9.463 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.356 -9.087 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.746 -9.723 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.102 -7.993 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.633 -7.594 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.375 -6.510 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.220 -7.181 5.918 1.00 0.00 H new ATOM 530 N CYS A 34 5.881 -9.526 2.833 1.00 0.00 N ATOM 531 CA CYS A 34 5.086 -10.711 2.399 1.00 0.00 C ATOM 532 C CYS A 34 5.807 -11.410 1.242 1.00 0.00 C ATOM 533 O CYS A 34 6.071 -10.817 0.214 1.00 0.00 O ATOM 534 CB CYS A 34 3.746 -10.141 1.937 1.00 0.00 C ATOM 535 SG CYS A 34 3.102 -9.015 3.199 1.00 0.00 S ATOM 0 H CYS A 34 5.879 -8.743 2.179 1.00 0.00 H new ATOM 0 HA CYS A 34 4.955 -11.447 3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.870 -9.612 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.037 -10.949 1.759 1.00 0.00 H new ATOM 0 HG CYS A 34 2.634 -7.945 2.628 1.00 0.00 H new ATOM 541 N GLU A 35 6.141 -12.659 1.404 1.00 0.00 N ATOM 542 CA GLU A 35 6.860 -13.391 0.320 1.00 0.00 C ATOM 543 C GLU A 35 5.974 -13.574 -0.919 1.00 0.00 C ATOM 544 O GLU A 35 6.466 -13.724 -2.020 1.00 0.00 O ATOM 545 CB GLU A 35 7.211 -14.748 0.925 1.00 0.00 C ATOM 546 CG GLU A 35 8.285 -14.566 1.999 1.00 0.00 C ATOM 547 CD GLU A 35 8.637 -15.926 2.604 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.136 -16.920 2.103 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.399 -15.951 3.554 1.00 0.00 O ATOM 0 H GLU A 35 5.947 -13.208 2.242 1.00 0.00 H new ATOM 0 HA GLU A 35 7.740 -12.842 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.322 -15.206 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.570 -15.423 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.174 -14.108 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.926 -13.892 2.777 1.00 0.00 H new ATOM 556 N SER A 36 4.679 -13.584 -0.757 1.00 0.00 N ATOM 557 CA SER A 36 3.793 -13.782 -1.945 1.00 0.00 C ATOM 558 C SER A 36 2.723 -12.690 -2.018 1.00 0.00 C ATOM 559 O SER A 36 2.794 -11.687 -1.336 1.00 0.00 O ATOM 560 CB SER A 36 3.153 -15.153 -1.741 1.00 0.00 C ATOM 561 OG SER A 36 4.149 -16.080 -1.329 1.00 0.00 O ATOM 0 H SER A 36 4.198 -13.465 0.135 1.00 0.00 H new ATOM 0 HA SER A 36 4.351 -13.727 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.365 -15.091 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.686 -15.491 -2.666 1.00 0.00 H new ATOM 0 HG SER A 36 3.741 -16.961 -1.196 1.00 0.00 H new ATOM 567 N GLY A 37 1.722 -12.886 -2.837 1.00 0.00 N ATOM 568 CA GLY A 37 0.641 -11.874 -2.951 1.00 0.00 C ATOM 569 C GLY A 37 -0.537 -12.383 -2.144 1.00 0.00 C ATOM 570 O GLY A 37 -1.335 -11.630 -1.623 1.00 0.00 O ATOM 0 H GLY A 37 1.610 -13.707 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.977 -10.908 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.359 -11.728 -3.994 1.00 0.00 H new ATOM 574 N GLU A 38 -0.621 -13.675 -2.013 1.00 0.00 N ATOM 575 CA GLU A 38 -1.703 -14.284 -1.217 1.00 0.00 C ATOM 576 C GLU A 38 -1.407 -14.027 0.258 1.00 0.00 C ATOM 577 O GLU A 38 -2.283 -13.726 1.052 1.00 0.00 O ATOM 578 CB GLU A 38 -1.614 -15.771 -1.559 1.00 0.00 C ATOM 579 CG GLU A 38 -2.284 -16.028 -2.912 1.00 0.00 C ATOM 580 CD GLU A 38 -2.256 -17.527 -3.228 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.847 -18.288 -2.367 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.651 -17.888 -4.325 1.00 0.00 O ATOM 0 H GLU A 38 0.028 -14.340 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.698 -13.889 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.571 -16.085 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.100 -16.363 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.313 -15.670 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.768 -15.472 -3.695 1.00 0.00 H new ATOM 589 N MET A 39 -0.154 -14.105 0.610 1.00 0.00 N ATOM 590 CA MET A 39 0.247 -13.840 2.012 1.00 0.00 C ATOM 591 C MET A 39 -0.153 -12.410 2.375 1.00 0.00 C ATOM 592 O MET A 39 -0.610 -12.130 3.467 1.00 0.00 O ATOM 593 CB MET A 39 1.771 -13.990 2.009 1.00 0.00 C ATOM 594 CG MET A 39 2.142 -15.439 1.689 1.00 0.00 C ATOM 595 SD MET A 39 1.435 -16.534 2.945 1.00 0.00 S ATOM 596 CE MET A 39 2.381 -15.903 4.355 1.00 0.00 C ATOM 0 H MET A 39 0.612 -14.343 -0.021 1.00 0.00 H new ATOM 0 HA MET A 39 -0.223 -14.509 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.211 -13.320 1.271 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.177 -13.706 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.769 -15.712 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.226 -15.551 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.516 -16.698 5.088 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.356 -15.556 4.013 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.841 -15.075 4.814 1.00 0.00 H new ATOM 606 N LEU A 40 0.010 -11.509 1.446 1.00 0.00 N ATOM 607 CA LEU A 40 -0.365 -10.090 1.690 1.00 0.00 C ATOM 608 C LEU A 40 -1.857 -9.992 1.999 1.00 0.00 C ATOM 609 O LEU A 40 -2.282 -9.206 2.824 1.00 0.00 O ATOM 610 CB LEU A 40 -0.024 -9.377 0.376 1.00 0.00 C ATOM 611 CG LEU A 40 -0.637 -7.976 0.365 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.273 -7.246 1.654 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.088 -7.190 -0.828 1.00 0.00 C ATOM 0 H LEU A 40 0.391 -11.699 0.519 1.00 0.00 H new ATOM 0 HA LEU A 40 0.157 -9.649 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.058 -9.310 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.401 -9.954 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.721 -8.059 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.711 -6.248 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.658 -7.802 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.811 -7.165 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.524 -6.191 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.996 -7.112 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.344 -7.706 -1.753 1.00 0.00 H new ATOM 625 N LEU A 41 -2.659 -10.788 1.345 1.00 0.00 N ATOM 626 CA LEU A 41 -4.122 -10.744 1.608 1.00 0.00 C ATOM 627 C LEU A 41 -4.398 -11.102 3.065 1.00 0.00 C ATOM 628 O LEU A 41 -5.162 -10.444 3.739 1.00 0.00 O ATOM 629 CB LEU A 41 -4.724 -11.793 0.678 1.00 0.00 C ATOM 630 CG LEU A 41 -4.349 -11.464 -0.764 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.954 -12.504 -1.703 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.890 -10.083 -1.120 1.00 0.00 C ATOM 0 H LEU A 41 -2.363 -11.465 0.642 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.546 -9.755 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.357 -12.784 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.808 -11.814 0.788 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.264 -11.473 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.684 -12.266 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.571 -13.492 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.039 -12.498 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.625 -9.843 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.975 -10.079 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.457 -9.339 -0.451 1.00 0.00 H new ATOM 644 N GLU A 42 -3.779 -12.139 3.562 1.00 0.00 N ATOM 645 CA GLU A 42 -4.022 -12.520 4.983 1.00 0.00 C ATOM 646 C GLU A 42 -3.685 -11.346 5.897 1.00 0.00 C ATOM 647 O GLU A 42 -4.429 -11.013 6.797 1.00 0.00 O ATOM 648 CB GLU A 42 -3.081 -13.694 5.251 1.00 0.00 C ATOM 649 CG GLU A 42 -3.428 -14.321 6.602 1.00 0.00 C ATOM 650 CD GLU A 42 -2.360 -15.346 6.983 1.00 0.00 C ATOM 651 OE1 GLU A 42 -2.471 -16.479 6.544 1.00 0.00 O ATOM 652 OE2 GLU A 42 -1.452 -14.983 7.712 1.00 0.00 O ATOM 0 H GLU A 42 -3.124 -12.732 3.053 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.062 -12.787 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.172 -14.437 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.046 -13.353 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.493 -13.547 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.405 -14.801 6.551 1.00 0.00 H new ATOM 659 N TYR A 43 -2.569 -10.711 5.672 1.00 0.00 N ATOM 660 CA TYR A 43 -2.191 -9.554 6.528 1.00 0.00 C ATOM 661 C TYR A 43 -3.179 -8.401 6.339 1.00 0.00 C ATOM 662 O TYR A 43 -3.604 -7.772 7.286 1.00 0.00 O ATOM 663 CB TYR A 43 -0.804 -9.143 6.047 1.00 0.00 C ATOM 664 CG TYR A 43 -0.448 -7.821 6.675 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.797 -6.626 6.036 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.219 -7.791 7.903 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.476 -5.399 6.624 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.538 -6.563 8.495 1.00 0.00 C ATOM 669 CZ TYR A 43 0.192 -5.366 7.857 1.00 0.00 C ATOM 670 OH TYR A 43 0.506 -4.156 8.439 1.00 0.00 O ATOM 0 H TYR A 43 -1.904 -10.943 4.934 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.202 -9.811 7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.069 -9.901 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.790 -9.061 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.314 -6.652 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.488 -8.714 8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.742 -4.477 6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.052 -6.539 9.445 1.00 0.00 H new ATOM 0 HH TYR A 43 0.966 -4.312 9.290 1.00 0.00 H new ATOM 680 N ALA A 44 -3.537 -8.114 5.118 1.00 0.00 N ATOM 681 CA ALA A 44 -4.488 -6.995 4.855 1.00 0.00 C ATOM 682 C ALA A 44 -5.936 -7.459 5.041 1.00 0.00 C ATOM 683 O ALA A 44 -6.849 -6.662 5.084 1.00 0.00 O ATOM 684 CB ALA A 44 -4.239 -6.600 3.398 1.00 0.00 C ATOM 0 H ALA A 44 -3.211 -8.608 4.287 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.336 -6.162 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.902 -5.779 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.203 -6.284 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.434 -7.455 2.751 1.00 0.00 H new ATOM 690 N GLN A 45 -6.156 -8.739 5.131 1.00 0.00 N ATOM 691 CA GLN A 45 -7.549 -9.246 5.293 1.00 0.00 C ATOM 692 C GLN A 45 -8.033 -9.092 6.735 1.00 0.00 C ATOM 693 O GLN A 45 -9.173 -9.378 7.043 1.00 0.00 O ATOM 694 CB GLN A 45 -7.469 -10.727 4.930 1.00 0.00 C ATOM 695 CG GLN A 45 -7.669 -10.883 3.427 1.00 0.00 C ATOM 696 CD GLN A 45 -7.235 -12.283 2.982 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.370 -12.883 3.581 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.803 -12.830 1.945 1.00 0.00 N ATOM 0 H GLN A 45 -5.433 -9.458 5.100 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.250 -8.692 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.502 -11.135 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.231 -11.289 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.716 -10.720 3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.091 -10.128 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.532 -12.327 1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.519 -13.761 1.640 1.00 0.00 H new ATOM 707 N THR A 46 -7.183 -8.680 7.630 1.00 0.00 N ATOM 708 CA THR A 46 -7.630 -8.563 9.050 1.00 0.00 C ATOM 709 C THR A 46 -7.159 -7.248 9.687 1.00 0.00 C ATOM 710 O THR A 46 -7.630 -6.859 10.739 1.00 0.00 O ATOM 711 CB THR A 46 -6.997 -9.774 9.742 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.632 -9.498 10.026 1.00 0.00 O ATOM 713 CG2 THR A 46 -7.100 -10.994 8.815 1.00 0.00 C ATOM 0 H THR A 46 -6.213 -8.422 7.449 1.00 0.00 H new ATOM 0 HA THR A 46 -8.716 -8.550 9.140 1.00 0.00 H new ATOM 0 HB THR A 46 -7.521 -9.982 10.675 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.227 -10.272 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.651 -11.860 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.149 -11.201 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.574 -10.788 7.883 1.00 0.00 H new ATOM 721 N HIS A 47 -6.247 -6.558 9.067 1.00 0.00 N ATOM 722 CA HIS A 47 -5.762 -5.271 9.646 1.00 0.00 C ATOM 723 C HIS A 47 -5.902 -4.152 8.612 1.00 0.00 C ATOM 724 O HIS A 47 -5.117 -3.229 8.569 1.00 0.00 O ATOM 725 CB HIS A 47 -4.289 -5.524 9.974 1.00 0.00 C ATOM 726 CG HIS A 47 -4.187 -6.381 11.205 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.018 -7.039 11.550 1.00 0.00 N ATOM 728 CD2 HIS A 47 -5.098 -6.696 12.183 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.253 -7.711 12.692 1.00 0.00 C ATOM 730 NE2 HIS A 47 -4.506 -7.535 13.121 1.00 0.00 N ATOM 0 H HIS A 47 -5.814 -6.827 8.183 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.328 -4.964 10.526 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.798 -6.016 9.134 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.774 -4.577 10.134 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.119 -6.346 12.218 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.518 -8.318 13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.936 -7.931 13.957 1.00 0.00 H new ATOM 738 N ARG A 48 -6.891 -4.244 7.765 1.00 0.00 N ATOM 739 CA ARG A 48 -7.071 -3.199 6.698 1.00 0.00 C ATOM 740 C ARG A 48 -6.927 -1.802 7.298 1.00 0.00 C ATOM 741 O ARG A 48 -6.126 -1.000 6.859 1.00 0.00 O ATOM 742 CB ARG A 48 -8.503 -3.337 6.145 1.00 0.00 C ATOM 743 CG ARG A 48 -9.024 -4.768 6.276 1.00 0.00 C ATOM 744 CD ARG A 48 -10.206 -4.973 5.325 1.00 0.00 C ATOM 745 NE ARG A 48 -11.020 -6.050 5.953 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.215 -6.313 5.499 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.699 -5.638 4.491 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.930 -7.253 6.054 1.00 0.00 N ATOM 0 H ARG A 48 -7.584 -4.992 7.760 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.321 -3.336 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.167 -2.658 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.519 -3.038 5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.230 -5.478 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.333 -4.961 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.785 -4.056 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.867 -5.263 4.330 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.644 -6.582 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.143 -4.902 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.633 -5.847 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.555 -7.781 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.864 -7.459 5.700 1.00 0.00 H new ATOM 762 N ASP A 49 -7.712 -1.508 8.292 1.00 0.00 N ATOM 763 CA ASP A 49 -7.646 -0.157 8.925 1.00 0.00 C ATOM 764 C ASP A 49 -6.287 0.062 9.593 1.00 0.00 C ATOM 765 O ASP A 49 -5.754 1.154 9.596 1.00 0.00 O ATOM 766 CB ASP A 49 -8.768 -0.147 9.964 1.00 0.00 C ATOM 767 CG ASP A 49 -10.122 -0.087 9.254 1.00 0.00 C ATOM 768 OD1 ASP A 49 -10.128 0.103 8.047 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.130 -0.228 9.925 1.00 0.00 O ATOM 0 H ASP A 49 -8.399 -2.143 8.697 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.763 0.642 8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.711 -1.041 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.655 0.710 10.628 1.00 0.00 H new ATOM 774 N GLN A 50 -5.724 -0.968 10.159 1.00 0.00 N ATOM 775 CA GLN A 50 -4.401 -0.818 10.830 1.00 0.00 C ATOM 776 C GLN A 50 -3.305 -0.530 9.800 1.00 0.00 C ATOM 777 O GLN A 50 -2.366 0.191 10.072 1.00 0.00 O ATOM 778 CB GLN A 50 -4.152 -2.160 11.510 1.00 0.00 C ATOM 779 CG GLN A 50 -5.159 -2.356 12.641 1.00 0.00 C ATOM 780 CD GLN A 50 -4.925 -3.718 13.296 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.027 -4.442 12.916 1.00 0.00 O ATOM 782 NE2 GLN A 50 -5.706 -4.105 14.268 1.00 0.00 N ATOM 0 H GLN A 50 -6.121 -1.907 10.187 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.392 0.011 11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.242 -2.969 10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.136 -2.197 11.904 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.053 -1.561 13.380 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.176 -2.296 12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.461 -3.498 14.588 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.562 -5.014 14.707 1.00 0.00 H new ATOM 791 N ILE A 51 -3.408 -1.089 8.622 1.00 0.00 N ATOM 792 CA ILE A 51 -2.354 -0.834 7.601 1.00 0.00 C ATOM 793 C ILE A 51 -2.309 0.654 7.267 1.00 0.00 C ATOM 794 O ILE A 51 -3.302 1.254 6.904 1.00 0.00 O ATOM 795 CB ILE A 51 -2.746 -1.659 6.366 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.964 -3.140 6.734 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.628 -1.566 5.326 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.231 -3.498 8.034 1.00 0.00 C ATOM 0 H ILE A 51 -4.167 -1.703 8.327 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.364 -1.117 7.959 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.678 -1.259 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.030 -3.337 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.607 -3.776 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.900 -2.150 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.483 -0.524 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.703 -1.958 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.402 -4.548 8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.162 -3.323 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.608 -2.877 8.847 1.00 0.00 H new ATOM 810 N ASP A 52 -1.164 1.255 7.404 1.00 0.00 N ATOM 811 CA ASP A 52 -1.043 2.707 7.115 1.00 0.00 C ATOM 812 C ASP A 52 -0.594 2.942 5.671 1.00 0.00 C ATOM 813 O ASP A 52 -1.013 3.882 5.032 1.00 0.00 O ATOM 814 CB ASP A 52 0.016 3.201 8.096 1.00 0.00 C ATOM 815 CG ASP A 52 -0.635 3.458 9.457 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.748 3.957 9.473 1.00 0.00 O ATOM 817 OD2 ASP A 52 -0.010 3.152 10.458 1.00 0.00 O ATOM 0 H ASP A 52 -0.302 0.800 7.705 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.992 3.231 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.810 2.461 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.476 4.115 7.722 1.00 0.00 H new ATOM 822 N CYS A 53 0.258 2.100 5.153 1.00 0.00 N ATOM 823 CA CYS A 53 0.734 2.286 3.750 1.00 0.00 C ATOM 824 C CYS A 53 1.147 0.938 3.154 1.00 0.00 C ATOM 825 O CYS A 53 1.783 0.137 3.810 1.00 0.00 O ATOM 826 CB CYS A 53 1.951 3.208 3.875 1.00 0.00 C ATOM 827 SG CYS A 53 2.394 3.867 2.249 1.00 0.00 S ATOM 0 H CYS A 53 0.646 1.291 5.639 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.035 2.702 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.730 4.026 4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.793 2.658 4.296 1.00 0.00 H new ATOM 0 HG CYS A 53 1.335 3.913 1.496 1.00 0.00 H new ATOM 833 N LEU A 54 0.800 0.670 1.920 1.00 0.00 N ATOM 834 CA LEU A 54 1.201 -0.639 1.321 1.00 0.00 C ATOM 835 C LEU A 54 2.241 -0.431 0.219 1.00 0.00 C ATOM 836 O LEU A 54 2.122 0.459 -0.596 1.00 0.00 O ATOM 837 CB LEU A 54 -0.078 -1.227 0.725 1.00 0.00 C ATOM 838 CG LEU A 54 0.263 -2.497 -0.063 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.376 -3.689 0.890 1.00 0.00 C ATOM 840 CD2 LEU A 54 -0.835 -2.768 -1.088 1.00 0.00 C ATOM 0 H LEU A 54 0.266 1.289 1.311 1.00 0.00 H new ATOM 0 HA LEU A 54 1.647 -1.298 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.789 -1.458 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.556 -0.498 0.071 1.00 0.00 H new ATOM 0 HG LEU A 54 1.216 -2.356 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.618 -4.587 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.163 -3.498 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.572 -3.832 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.594 -3.671 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.787 -2.903 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.909 -1.924 -1.773 1.00 0.00 H new ATOM 852 N ILE A 55 3.246 -1.260 0.170 1.00 0.00 N ATOM 853 CA ILE A 55 4.266 -1.114 -0.904 1.00 0.00 C ATOM 854 C ILE A 55 4.032 -2.194 -1.955 1.00 0.00 C ATOM 855 O ILE A 55 3.895 -3.359 -1.633 1.00 0.00 O ATOM 856 CB ILE A 55 5.611 -1.344 -0.231 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.821 -0.346 0.904 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.727 -1.170 -1.261 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.058 -0.771 1.690 1.00 0.00 C ATOM 0 H ILE A 55 3.404 -2.027 0.823 1.00 0.00 H new ATOM 0 HA ILE A 55 4.220 -0.138 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 55 5.629 -2.354 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.951 0.660 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.947 -0.321 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.693 -1.334 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.594 -1.892 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.691 -0.160 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.228 -0.071 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.906 -1.772 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.925 -0.775 1.030 1.00 0.00 H new ATOM 871 N LEU A 56 3.979 -1.839 -3.203 1.00 0.00 N ATOM 872 CA LEU A 56 3.747 -2.880 -4.237 1.00 0.00 C ATOM 873 C LEU A 56 4.745 -2.757 -5.381 1.00 0.00 C ATOM 874 O LEU A 56 5.152 -1.677 -5.759 1.00 0.00 O ATOM 875 CB LEU A 56 2.333 -2.634 -4.745 1.00 0.00 C ATOM 876 CG LEU A 56 1.330 -3.107 -3.698 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.082 -2.971 -4.265 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.616 -4.573 -3.351 1.00 0.00 C ATOM 0 H LEU A 56 4.085 -0.886 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 56 3.872 -3.881 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.188 -1.573 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.174 -3.165 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 56 1.417 -2.502 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.806 -3.307 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.275 -1.928 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.174 -3.581 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.901 -4.916 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.523 -5.184 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.627 -4.662 -2.955 1.00 0.00 H new ATOM 890 N VAL A 57 5.113 -3.864 -5.953 1.00 0.00 N ATOM 891 CA VAL A 57 6.059 -3.837 -7.100 1.00 0.00 C ATOM 892 C VAL A 57 5.362 -4.446 -8.320 1.00 0.00 C ATOM 893 O VAL A 57 5.041 -5.616 -8.342 1.00 0.00 O ATOM 894 CB VAL A 57 7.254 -4.692 -6.674 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.079 -5.057 -7.909 1.00 0.00 C ATOM 896 CG2 VAL A 57 8.132 -3.899 -5.700 1.00 0.00 C ATOM 0 H VAL A 57 4.798 -4.793 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 57 6.380 -2.829 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 57 6.895 -5.599 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.932 -5.666 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.459 -5.619 -8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.435 -4.146 -8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.983 -4.509 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.491 -2.993 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.548 -3.630 -4.820 1.00 0.00 H new ATOM 906 N ALA A 58 5.102 -3.659 -9.323 1.00 0.00 N ATOM 907 CA ALA A 58 4.399 -4.195 -10.525 1.00 0.00 C ATOM 908 C ALA A 58 5.173 -5.370 -11.135 1.00 0.00 C ATOM 909 O ALA A 58 4.608 -6.217 -11.798 1.00 0.00 O ATOM 910 CB ALA A 58 4.335 -3.023 -11.500 1.00 0.00 C ATOM 0 H ALA A 58 5.344 -2.669 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 58 3.408 -4.578 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.830 -3.337 -12.414 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.783 -2.201 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.346 -2.693 -11.739 1.00 0.00 H new ATOM 916 N ALA A 59 6.456 -5.431 -10.916 1.00 0.00 N ATOM 917 CA ALA A 59 7.256 -6.557 -11.485 1.00 0.00 C ATOM 918 C ALA A 59 6.778 -7.897 -10.914 1.00 0.00 C ATOM 919 O ALA A 59 7.142 -8.951 -11.396 1.00 0.00 O ATOM 920 CB ALA A 59 8.696 -6.280 -11.048 1.00 0.00 C ATOM 0 H ALA A 59 6.987 -4.753 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 59 7.158 -6.620 -12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.349 -7.066 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.018 -5.317 -11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.748 -6.259 -9.959 1.00 0.00 H new ATOM 926 N ASN A 60 5.978 -7.867 -9.882 1.00 0.00 N ATOM 927 CA ASN A 60 5.499 -9.145 -9.276 1.00 0.00 C ATOM 928 C ASN A 60 4.361 -9.753 -10.103 1.00 0.00 C ATOM 929 O ASN A 60 3.536 -9.041 -10.643 1.00 0.00 O ATOM 930 CB ASN A 60 4.999 -8.751 -7.887 1.00 0.00 C ATOM 931 CG ASN A 60 6.180 -8.286 -7.032 1.00 0.00 C ATOM 932 OD1 ASN A 60 7.315 -8.340 -7.463 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.960 -7.829 -5.830 1.00 0.00 N ATOM 0 H ASN A 60 5.636 -7.017 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 60 6.286 -9.898 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.259 -7.955 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.505 -9.599 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.741 -7.517 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.007 -7.784 -5.468 1.00 0.00 H new ATOM 940 N PRO A 61 4.351 -11.060 -10.161 1.00 0.00 N ATOM 941 CA PRO A 61 3.297 -11.782 -10.915 1.00 0.00 C ATOM 942 C PRO A 61 1.958 -11.667 -10.190 1.00 0.00 C ATOM 943 O PRO A 61 1.899 -11.273 -9.042 1.00 0.00 O ATOM 944 CB PRO A 61 3.780 -13.227 -10.922 1.00 0.00 C ATOM 945 CG PRO A 61 4.666 -13.334 -9.728 1.00 0.00 C ATOM 946 CD PRO A 61 5.307 -11.982 -9.540 1.00 0.00 C ATOM 0 HA PRO A 61 3.143 -11.386 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.945 -13.924 -10.859 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.321 -13.460 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.093 -13.616 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.423 -14.104 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.458 -11.753 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.284 -11.931 -10.021 1.00 0.00 H new ATOM 954 N SER A 62 0.890 -12.011 -10.859 1.00 0.00 N ATOM 955 CA SER A 62 -0.469 -11.922 -10.238 1.00 0.00 C ATOM 956 C SER A 62 -0.539 -10.723 -9.291 1.00 0.00 C ATOM 957 O SER A 62 -1.234 -10.746 -8.294 1.00 0.00 O ATOM 958 CB SER A 62 -0.653 -13.227 -9.465 1.00 0.00 C ATOM 959 OG SER A 62 0.543 -13.530 -8.759 1.00 0.00 O ATOM 0 H SER A 62 0.899 -12.354 -11.820 1.00 0.00 H new ATOM 0 HA SER A 62 -1.250 -11.785 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.486 -13.136 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.899 -14.038 -10.151 1.00 0.00 H new ATOM 0 HG SER A 62 0.817 -12.751 -8.231 1.00 0.00 H new ATOM 965 N PHE A 63 0.182 -9.679 -9.593 1.00 0.00 N ATOM 966 CA PHE A 63 0.163 -8.485 -8.709 1.00 0.00 C ATOM 967 C PHE A 63 -1.165 -7.749 -8.857 1.00 0.00 C ATOM 968 O PHE A 63 -1.929 -7.631 -7.920 1.00 0.00 O ATOM 969 CB PHE A 63 1.316 -7.616 -9.199 1.00 0.00 C ATOM 970 CG PHE A 63 1.175 -6.235 -8.614 1.00 0.00 C ATOM 971 CD1 PHE A 63 0.997 -6.077 -7.236 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.215 -5.115 -9.449 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.858 -4.799 -6.694 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.076 -3.835 -8.907 1.00 0.00 C ATOM 975 CZ PHE A 63 0.897 -3.675 -7.528 1.00 0.00 C ATOM 0 H PHE A 63 0.783 -9.603 -10.414 1.00 0.00 H new ATOM 0 HA PHE A 63 0.269 -8.744 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.269 -8.054 -8.903 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.313 -7.565 -10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.967 -6.943 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.353 -5.239 -10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.720 -4.677 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.107 -2.969 -9.552 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.789 -2.686 -7.108 1.00 0.00 H new ATOM 985 N ARG A 64 -1.457 -7.270 -10.032 1.00 0.00 N ATOM 986 CA ARG A 64 -2.747 -6.560 -10.232 1.00 0.00 C ATOM 987 C ARG A 64 -3.864 -7.409 -9.636 1.00 0.00 C ATOM 988 O ARG A 64 -4.783 -6.910 -9.020 1.00 0.00 O ATOM 989 CB ARG A 64 -2.913 -6.435 -11.747 1.00 0.00 C ATOM 990 CG ARG A 64 -2.339 -5.096 -12.209 1.00 0.00 C ATOM 991 CD ARG A 64 -0.817 -5.205 -12.312 1.00 0.00 C ATOM 992 NE ARG A 64 -0.572 -5.936 -13.586 1.00 0.00 N ATOM 993 CZ ARG A 64 0.646 -6.248 -13.944 1.00 0.00 C ATOM 994 NH1 ARG A 64 1.660 -5.907 -13.195 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.850 -6.902 -15.056 1.00 0.00 N ATOM 0 H ARG A 64 -0.862 -7.339 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.775 -5.581 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.401 -7.256 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.967 -6.504 -12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.761 -4.821 -13.175 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.612 -4.309 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.350 -4.220 -12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.401 -5.744 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.358 -6.195 -14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.503 -5.395 -12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.609 -6.153 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.060 -7.168 -15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.800 -7.146 -15.337 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.769 -8.697 -9.800 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.802 -9.601 -9.225 1.00 0.00 C ATOM 1011 C ALA A 65 -4.780 -9.482 -7.700 1.00 0.00 C ATOM 1012 O ALA A 65 -5.795 -9.292 -7.063 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.392 -11.008 -9.664 1.00 0.00 C ATOM 0 H ALA A 65 -3.019 -9.164 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.811 -9.359 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.108 -11.733 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.376 -11.059 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.399 -11.236 -9.275 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.620 -9.583 -7.112 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.518 -9.463 -5.631 1.00 0.00 C ATOM 1021 C VAL A 66 -4.027 -8.091 -5.188 1.00 0.00 C ATOM 1022 O VAL A 66 -4.732 -7.963 -4.205 1.00 0.00 O ATOM 1023 CB VAL A 66 -2.025 -9.611 -5.345 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.742 -9.329 -3.866 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.590 -11.037 -5.695 1.00 0.00 C ATOM 0 H VAL A 66 -2.736 -9.744 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.112 -10.205 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.466 -8.896 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.675 -9.437 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.054 -8.313 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.296 -10.036 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.525 -11.152 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.152 -11.748 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.783 -11.227 -6.751 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.689 -7.059 -5.917 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.174 -5.707 -5.538 1.00 0.00 C ATOM 1037 C VAL A 67 -5.697 -5.681 -5.633 1.00 0.00 C ATOM 1038 O VAL A 67 -6.369 -5.078 -4.820 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.556 -4.737 -6.544 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.926 -3.308 -6.147 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.032 -4.883 -6.542 1.00 0.00 C ATOM 0 H VAL A 67 -3.103 -7.097 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.895 -5.437 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.935 -4.959 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.489 -2.608 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.011 -3.199 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.542 -3.097 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.599 -4.188 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.647 -4.662 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.764 -5.903 -6.816 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.251 -6.344 -6.617 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.730 -6.362 -6.745 1.00 0.00 C ATOM 1053 C GLN A 68 -8.322 -7.011 -5.494 1.00 0.00 C ATOM 1054 O GLN A 68 -9.375 -6.633 -5.025 1.00 0.00 O ATOM 1055 CB GLN A 68 -8.016 -7.167 -8.030 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.410 -8.611 -7.704 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.155 -9.497 -8.925 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.857 -10.667 -8.790 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -8.259 -8.985 -10.122 1.00 0.00 N ATOM 0 H GLN A 68 -5.743 -6.868 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.179 -5.372 -6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.817 -6.687 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.132 -7.164 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.834 -8.973 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.462 -8.657 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.509 -8.003 -10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.090 -9.567 -10.942 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.632 -7.969 -4.932 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.146 -8.610 -3.694 1.00 0.00 C ATOM 1070 C GLN A 69 -8.269 -7.542 -2.612 1.00 0.00 C ATOM 1071 O GLN A 69 -9.301 -7.386 -1.989 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.091 -9.638 -3.306 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.732 -11.021 -3.208 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.775 -11.031 -2.091 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -9.923 -10.701 -2.311 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.420 -11.402 -0.891 1.00 0.00 N ATOM 0 H GLN A 69 -6.742 -8.330 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.122 -9.076 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.291 -9.649 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.639 -9.367 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.200 -11.283 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.968 -11.773 -3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.456 -11.679 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.107 -11.415 -0.137 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.227 -6.779 -2.402 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.302 -5.698 -1.382 1.00 0.00 C ATOM 1087 C LEU A 70 -8.504 -4.817 -1.710 1.00 0.00 C ATOM 1088 O LEU A 70 -9.366 -4.576 -0.888 1.00 0.00 O ATOM 1089 CB LEU A 70 -6.006 -4.901 -1.548 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.862 -5.599 -0.814 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.613 -5.598 -1.697 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.560 -4.843 0.481 1.00 0.00 C ATOM 0 H LEU A 70 -6.335 -6.859 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.412 -6.073 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.763 -4.803 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.138 -3.892 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.148 -6.626 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.797 -6.096 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.824 -6.127 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.327 -4.570 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.744 -5.337 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.272 -3.818 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.448 -4.834 1.113 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.565 -4.354 -2.927 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.707 -3.503 -3.357 1.00 0.00 C ATOM 1106 C CYS A 71 -11.013 -4.296 -3.266 1.00 0.00 C ATOM 1107 O CYS A 71 -12.065 -3.754 -2.994 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.402 -3.157 -4.816 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.880 -2.180 -4.904 1.00 0.00 S ATOM 0 H CYS A 71 -7.866 -4.531 -3.648 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.824 -2.615 -2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.294 -4.070 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.231 -2.597 -5.248 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.143 -2.430 -3.862 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.949 -5.577 -3.508 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.182 -6.414 -3.458 1.00 0.00 C ATOM 1117 C PHE A 72 -12.829 -6.376 -2.070 1.00 0.00 C ATOM 1118 O PHE A 72 -14.016 -6.150 -1.936 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.704 -7.831 -3.776 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.902 -8.724 -3.962 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.671 -9.095 -2.855 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.255 -9.165 -5.241 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.795 -9.912 -3.024 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.381 -9.980 -5.414 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.152 -10.353 -4.305 1.00 0.00 C ATOM 0 H PHE A 72 -10.093 -6.082 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.937 -6.055 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.093 -7.828 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.077 -8.207 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.398 -8.751 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.660 -8.877 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.386 -10.202 -2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.655 -10.321 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.021 -10.980 -4.438 1.00 0.00 H new ATOM 1135 N GLU A 73 -12.065 -6.602 -1.037 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.650 -6.587 0.336 1.00 0.00 C ATOM 1137 C GLU A 73 -12.843 -5.152 0.820 1.00 0.00 C ATOM 1138 O GLU A 73 -13.607 -4.888 1.727 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.626 -7.308 1.210 1.00 0.00 C ATOM 1140 CG GLU A 73 -11.308 -8.667 0.592 1.00 0.00 C ATOM 1141 CD GLU A 73 -10.319 -9.420 1.482 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -10.471 -9.354 2.690 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -9.428 -10.054 0.940 1.00 0.00 O ATOM 0 H GLU A 73 -11.065 -6.796 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.629 -7.066 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.717 -6.712 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.017 -7.436 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.223 -9.248 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.887 -8.534 -0.405 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.147 -4.224 0.229 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.281 -2.810 0.661 1.00 0.00 C ATOM 1152 C GLY A 74 -10.978 -2.365 1.323 1.00 0.00 C ATOM 1153 O GLY A 74 -10.883 -1.272 1.846 1.00 0.00 O ATOM 0 H GLY A 74 -11.491 -4.385 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.504 -2.174 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.112 -2.707 1.359 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.967 -3.196 1.303 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.679 -2.795 1.930 1.00 0.00 C ATOM 1159 C VAL A 75 -8.028 -1.690 1.096 1.00 0.00 C ATOM 1160 O VAL A 75 -7.250 -1.955 0.201 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.807 -4.054 1.912 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.602 -3.842 2.828 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.609 -5.263 2.406 1.00 0.00 C ATOM 0 H VAL A 75 -9.980 -4.125 0.883 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.812 -2.413 2.942 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.474 -4.242 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.977 -4.735 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.022 -2.990 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.947 -3.650 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.977 -6.151 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.950 -5.081 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.471 -5.418 1.757 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.340 -0.451 1.372 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.732 0.657 0.579 1.00 0.00 C ATOM 1175 C VAL A 76 -6.748 1.450 1.444 1.00 0.00 C ATOM 1176 O VAL A 76 -7.096 1.976 2.483 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.903 1.541 0.139 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.481 2.366 -1.079 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.104 0.667 -0.241 1.00 0.00 C ATOM 0 H VAL A 76 -8.985 -0.160 2.107 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.171 0.284 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.182 2.201 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.311 2.997 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.629 2.993 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.202 1.697 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.933 1.303 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.827 0.004 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.408 0.072 0.620 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.519 1.532 1.014 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.482 2.281 1.790 1.00 0.00 C ATOM 1191 C VAL A 77 -3.584 3.064 0.836 1.00 0.00 C ATOM 1192 O VAL A 77 -3.595 2.824 -0.353 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.641 1.201 2.476 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.450 0.528 3.581 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.222 0.153 1.436 1.00 0.00 C ATOM 0 H VAL A 77 -5.183 1.108 0.149 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.932 2.982 2.493 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.756 1.660 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.842 -0.238 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.747 1.273 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.340 0.068 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.623 -0.619 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.111 -0.299 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.634 0.632 0.653 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.793 3.945 1.386 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.848 4.711 0.548 1.00 0.00 C ATOM 1207 C PRO A 78 -0.785 3.745 0.043 1.00 0.00 C ATOM 1208 O PRO A 78 0.188 3.464 0.712 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.264 5.740 1.505 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.439 5.143 2.860 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.693 4.306 2.803 1.00 0.00 C ATOM 0 HA PRO A 78 -2.294 5.191 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.212 5.929 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.783 6.695 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.577 4.532 3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.527 5.921 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.617 3.424 3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.566 4.866 3.138 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.995 3.196 -1.112 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.034 2.204 -1.648 1.00 0.00 C ATOM 1221 C ALA A 79 0.933 2.841 -2.646 1.00 0.00 C ATOM 1222 O ALA A 79 0.535 3.461 -3.613 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.919 1.171 -2.339 1.00 0.00 C ATOM 0 H ALA A 79 -1.796 3.392 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 79 0.592 1.774 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.295 0.389 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.601 0.731 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.494 1.654 -3.129 1.00 0.00 H new ATOM 1229 N ILE A 80 2.203 2.663 -2.421 1.00 0.00 N ATOM 1230 CA ILE A 80 3.223 3.221 -3.350 1.00 0.00 C ATOM 1231 C ILE A 80 3.612 2.135 -4.360 1.00 0.00 C ATOM 1232 O ILE A 80 4.063 1.068 -3.994 1.00 0.00 O ATOM 1233 CB ILE A 80 4.399 3.594 -2.443 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.888 4.470 -1.292 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.442 4.369 -3.247 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.991 4.647 -0.243 1.00 0.00 C ATOM 0 H ILE A 80 2.582 2.150 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 80 2.878 4.082 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 80 4.854 2.688 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.577 5.443 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.010 4.011 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.278 4.633 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.801 3.750 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.992 5.277 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.622 5.270 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.281 3.672 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.856 5.125 -0.702 1.00 0.00 H new ATOM 1248 N VAL A 81 3.410 2.385 -5.625 1.00 0.00 N ATOM 1249 CA VAL A 81 3.731 1.350 -6.654 1.00 0.00 C ATOM 1250 C VAL A 81 5.142 1.550 -7.218 1.00 0.00 C ATOM 1251 O VAL A 81 5.638 2.655 -7.306 1.00 0.00 O ATOM 1252 CB VAL A 81 2.665 1.553 -7.729 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.850 0.520 -8.840 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.281 1.384 -7.092 1.00 0.00 C ATOM 0 H VAL A 81 3.037 3.260 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 81 3.723 0.338 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 81 2.756 2.552 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.088 0.668 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.838 0.637 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.756 -0.483 -8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.511 1.527 -7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.194 0.382 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.152 2.123 -6.301 1.00 0.00 H new ATOM 1264 N VAL A 82 5.799 0.476 -7.578 1.00 0.00 N ATOM 1265 CA VAL A 82 7.193 0.585 -8.110 1.00 0.00 C ATOM 1266 C VAL A 82 7.304 -0.045 -9.504 1.00 0.00 C ATOM 1267 O VAL A 82 6.536 -0.914 -9.867 1.00 0.00 O ATOM 1268 CB VAL A 82 8.036 -0.206 -7.112 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.520 0.078 -7.344 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.654 0.203 -5.688 1.00 0.00 C ATOM 0 H VAL A 82 5.430 -0.473 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 82 7.511 1.622 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 82 7.850 -1.271 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.115 -0.489 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.793 -0.216 -8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.712 1.143 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.255 -0.361 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.837 1.269 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.598 -0.008 -5.520 1.00 0.00 H new ATOM 1280 N GLY A 83 8.265 0.384 -10.280 1.00 0.00 N ATOM 1281 CA GLY A 83 8.443 -0.193 -11.646 1.00 0.00 C ATOM 1282 C GLY A 83 7.501 0.506 -12.629 1.00 0.00 C ATOM 1283 O GLY A 83 6.798 -0.131 -13.388 1.00 0.00 O ATOM 0 H GLY A 83 8.935 1.110 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.477 -0.073 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.237 -1.263 -11.629 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.252 -0.014 -11.132 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.625 -1.050 -10.273 1.00 0.00 C ATOM 1494 C LEU A 98 -3.364 -1.128 -8.948 1.00 0.00 C ATOM 1495 O LEU A 98 -3.541 -2.186 -8.384 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.187 -0.575 -10.064 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.492 -0.472 -11.420 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.913 0.102 -11.234 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.397 -1.868 -12.036 1.00 0.00 C ATOM 0 HA LEU A 98 -2.658 -2.044 -10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.180 0.393 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.651 -1.271 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.062 0.184 -12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.407 0.175 -12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.845 1.093 -10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.490 -0.552 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.098 -1.805 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.178 -2.518 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.399 -2.277 -12.166 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.797 -0.005 -8.453 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.528 0.005 -7.163 1.00 0.00 C ATOM 1513 C TYR A 99 -5.663 1.037 -7.220 1.00 0.00 C ATOM 1514 O TYR A 99 -6.414 1.091 -8.173 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.468 0.402 -6.134 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.811 -0.159 -4.769 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.139 -0.453 -4.433 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.790 -0.375 -3.834 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.443 -0.962 -3.160 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.093 -0.881 -2.565 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.420 -1.175 -2.229 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.720 -1.674 -0.977 1.00 0.00 O ATOM 0 H TYR A 99 -3.675 0.909 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.990 -0.952 -6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.492 0.034 -6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.396 1.488 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.928 -0.288 -5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.766 -0.150 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.466 -1.189 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.304 -1.045 -1.846 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.690 -1.649 -0.839 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.785 1.867 -6.220 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.866 2.905 -6.245 1.00 0.00 C ATOM 1534 C HIS A 100 -6.324 4.194 -6.862 1.00 0.00 C ATOM 1535 O HIS A 100 -5.202 4.246 -7.325 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.296 3.147 -4.787 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.124 2.996 -3.857 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.848 1.789 -3.206 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.124 3.863 -3.481 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.723 1.961 -2.486 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.268 3.192 -2.635 1.00 0.00 N ATOM 0 H HIS A 100 -5.190 1.875 -5.391 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.716 2.576 -6.843 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.719 4.147 -4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.079 2.441 -4.511 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.399 0.933 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.027 4.892 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.259 1.201 -1.874 1.00 0.00 H new ATOM 1549 N SER A 101 -7.107 5.237 -6.873 1.00 0.00 N ATOM 1550 CA SER A 101 -6.623 6.518 -7.463 1.00 0.00 C ATOM 1551 C SER A 101 -5.801 7.294 -6.433 1.00 0.00 C ATOM 1552 O SER A 101 -5.502 8.458 -6.611 1.00 0.00 O ATOM 1553 CB SER A 101 -7.886 7.288 -7.843 1.00 0.00 C ATOM 1554 OG SER A 101 -8.402 7.947 -6.695 1.00 0.00 O ATOM 0 H SER A 101 -8.057 5.259 -6.501 1.00 0.00 H new ATOM 0 HA SER A 101 -5.977 6.358 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.660 8.016 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.632 6.606 -8.250 1.00 0.00 H new ATOM 0 HG SER A 101 -9.212 8.443 -6.939 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.432 6.655 -5.359 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.628 7.352 -4.316 1.00 0.00 C ATOM 1562 C ALA A 102 -3.252 6.694 -4.147 1.00 0.00 C ATOM 1563 O ALA A 102 -2.358 7.266 -3.556 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.448 7.224 -3.034 1.00 0.00 C ATOM 0 H ALA A 102 -5.652 5.680 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.437 8.392 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.922 7.714 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.420 7.697 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.588 6.170 -2.796 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.060 5.502 -4.653 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.725 4.855 -4.495 1.00 0.00 C ATOM 1572 C GLU A 103 -0.653 5.724 -5.156 1.00 0.00 C ATOM 1573 O GLU A 103 -0.783 6.130 -6.293 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.845 3.479 -5.178 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.434 3.552 -6.656 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.513 4.284 -7.456 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -2.859 5.390 -7.074 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -2.973 3.725 -8.437 1.00 0.00 O ATOM 0 H GLU A 103 -3.758 4.957 -5.160 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.435 4.739 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.215 2.757 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.872 3.121 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.481 4.071 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.292 2.547 -7.054 1.00 0.00 H new ATOM 1585 N LEU A 104 0.406 6.014 -4.456 1.00 0.00 N ATOM 1586 CA LEU A 104 1.476 6.856 -5.055 1.00 0.00 C ATOM 1587 C LEU A 104 2.363 6.003 -5.962 1.00 0.00 C ATOM 1588 O LEU A 104 2.376 4.792 -5.873 1.00 0.00 O ATOM 1589 CB LEU A 104 2.272 7.399 -3.868 1.00 0.00 C ATOM 1590 CG LEU A 104 1.861 8.847 -3.597 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.395 8.893 -3.157 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.745 9.426 -2.489 1.00 0.00 C ATOM 0 H LEU A 104 0.577 5.706 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 104 1.076 7.662 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.091 6.787 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.340 7.346 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 104 1.982 9.435 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.105 9.926 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.235 8.480 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.270 8.306 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.454 10.458 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.623 8.836 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.788 9.396 -2.803 1.00 0.00 H new ATOM 1604 N HIS A 105 3.100 6.623 -6.842 1.00 0.00 N ATOM 1605 CA HIS A 105 3.980 5.839 -7.755 1.00 0.00 C ATOM 1606 C HIS A 105 5.450 6.172 -7.486 1.00 0.00 C ATOM 1607 O HIS A 105 5.801 7.307 -7.229 1.00 0.00 O ATOM 1608 CB HIS A 105 3.589 6.285 -9.161 1.00 0.00 C ATOM 1609 CG HIS A 105 2.126 6.019 -9.401 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.372 6.794 -10.271 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.265 5.068 -8.907 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.121 6.299 -10.277 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.000 5.246 -9.462 1.00 0.00 N ATOM 0 H HIS A 105 3.131 7.635 -6.969 1.00 0.00 H new ATOM 0 HA HIS A 105 3.862 4.764 -7.617 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.798 7.347 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.189 5.753 -9.899 1.00 0.00 H new ATOM 0 HD1 HIS A 105 1.706 7.594 -10.809 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.529 4.299 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.687 6.703 -10.868 1.00 0.00 H new ATOM 1621 N LEU A 106 6.313 5.196 -7.545 1.00 0.00 N ATOM 1622 CA LEU A 106 7.758 5.469 -7.295 1.00 0.00 C ATOM 1623 C LEU A 106 8.627 4.767 -8.338 1.00 0.00 C ATOM 1624 O LEU A 106 8.310 3.690 -8.806 1.00 0.00 O ATOM 1625 CB LEU A 106 8.043 4.915 -5.902 1.00 0.00 C ATOM 1626 CG LEU A 106 9.517 5.143 -5.556 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.846 6.636 -5.645 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.782 4.649 -4.132 1.00 0.00 C ATOM 0 H LEU A 106 6.083 4.225 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 106 7.984 6.533 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.405 5.405 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.810 3.851 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 106 10.143 4.595 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.896 6.793 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.655 6.991 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.222 7.189 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.830 4.809 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.153 5.200 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.552 3.586 -4.067 1.00 0.00 H new ATOM 1640 N GLY A 107 9.725 5.369 -8.701 1.00 0.00 N ATOM 1641 CA GLY A 107 10.623 4.742 -9.709 1.00 0.00 C ATOM 1642 C GLY A 107 11.428 3.620 -9.050 1.00 0.00 C ATOM 1643 O GLY A 107 11.673 3.633 -7.860 1.00 0.00 O ATOM 0 H GLY A 107 10.039 6.270 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.036 4.344 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.297 5.490 -10.126 1.00 0.00 H new ATOM 1647 N ILE A 108 11.841 2.650 -9.817 1.00 0.00 N ATOM 1648 CA ILE A 108 12.630 1.527 -9.258 1.00 0.00 C ATOM 1649 C ILE A 108 13.992 2.027 -8.774 1.00 0.00 C ATOM 1650 O ILE A 108 14.500 1.602 -7.755 1.00 0.00 O ATOM 1651 CB ILE A 108 12.772 0.581 -10.445 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.452 -0.157 -10.656 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.882 -0.421 -10.181 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.216 -1.115 -9.489 1.00 0.00 C ATOM 0 H ILE A 108 11.661 2.591 -10.819 1.00 0.00 H new ATOM 0 HA ILE A 108 12.166 1.050 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 108 13.021 1.154 -11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.631 0.556 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.477 -0.709 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.976 -1.093 -11.034 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.823 0.109 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.645 -1.000 -9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.274 -1.643 -9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.032 -1.836 -9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.173 -0.550 -8.558 1.00 0.00 H new ATOM 1666 N HIS A 109 14.577 2.937 -9.498 1.00 0.00 N ATOM 1667 CA HIS A 109 15.902 3.488 -9.093 1.00 0.00 C ATOM 1668 C HIS A 109 15.703 4.664 -8.134 1.00 0.00 C ATOM 1669 O HIS A 109 16.647 5.309 -7.720 1.00 0.00 O ATOM 1670 CB HIS A 109 16.544 3.965 -10.396 1.00 0.00 C ATOM 1671 CG HIS A 109 15.654 4.992 -11.044 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.792 6.350 -10.802 1.00 0.00 N ATOM 1673 CD2 HIS A 109 14.606 4.874 -11.925 1.00 0.00 C ATOM 1674 CE1 HIS A 109 14.851 6.989 -11.524 1.00 0.00 C ATOM 1675 NE2 HIS A 109 14.102 6.136 -12.226 1.00 0.00 N ATOM 0 H HIS A 109 14.193 3.327 -10.359 1.00 0.00 H new ATOM 0 HA HIS A 109 16.521 2.753 -8.579 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.526 4.393 -10.195 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.696 3.122 -11.070 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.230 3.943 -12.323 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.719 8.061 -11.534 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.327 6.361 -12.849 1.00 0.00 H new ATOM 1683 N GLN A 110 14.480 4.947 -7.781 1.00 0.00 N ATOM 1684 CA GLN A 110 14.211 6.079 -6.852 1.00 0.00 C ATOM 1685 C GLN A 110 13.789 5.545 -5.482 1.00 0.00 C ATOM 1686 O GLN A 110 13.006 6.154 -4.780 1.00 0.00 O ATOM 1687 CB GLN A 110 13.066 6.855 -7.500 1.00 0.00 C ATOM 1688 CG GLN A 110 13.521 7.406 -8.853 1.00 0.00 C ATOM 1689 CD GLN A 110 12.524 8.463 -9.330 1.00 0.00 C ATOM 1690 OE1 GLN A 110 12.401 9.512 -8.728 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.804 8.232 -10.392 1.00 0.00 N ATOM 0 H GLN A 110 13.653 4.441 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 110 15.090 6.704 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.202 6.204 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.753 7.672 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.516 7.842 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.590 6.599 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.908 7.352 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.137 8.932 -10.718 1.00 0.00 H new ATOM 1700 N LEU A 111 14.295 4.404 -5.102 1.00 0.00 N ATOM 1701 CA LEU A 111 13.920 3.814 -3.784 1.00 0.00 C ATOM 1702 C LEU A 111 14.511 4.621 -2.631 1.00 0.00 C ATOM 1703 O LEU A 111 15.217 4.109 -1.785 1.00 0.00 O ATOM 1704 CB LEU A 111 14.506 2.404 -3.817 1.00 0.00 C ATOM 1705 CG LEU A 111 13.480 1.403 -4.370 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.709 0.797 -3.206 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.487 2.093 -5.313 1.00 0.00 C ATOM 0 H LEU A 111 14.955 3.852 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 111 12.841 3.813 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.403 2.392 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.807 2.106 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 111 14.012 0.633 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.977 0.084 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.402 0.285 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.195 1.588 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.773 1.360 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.954 2.874 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.027 2.536 -6.150 1.00 0.00 H new ATOM 1719 N GLU A 112 14.201 5.875 -2.595 1.00 0.00 N ATOM 1720 CA GLU A 112 14.707 6.753 -1.502 1.00 0.00 C ATOM 1721 C GLU A 112 13.614 7.741 -1.072 1.00 0.00 C ATOM 1722 O GLU A 112 13.738 8.424 -0.075 1.00 0.00 O ATOM 1723 CB GLU A 112 15.897 7.498 -2.107 1.00 0.00 C ATOM 1724 CG GLU A 112 16.875 6.486 -2.702 1.00 0.00 C ATOM 1725 CD GLU A 112 18.109 7.217 -3.241 1.00 0.00 C ATOM 1726 OE1 GLU A 112 18.912 7.658 -2.435 1.00 0.00 O ATOM 1727 OE2 GLU A 112 18.230 7.322 -4.450 1.00 0.00 O ATOM 0 H GLU A 112 13.611 6.343 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 112 14.992 6.187 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.555 8.188 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.394 8.095 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.172 5.762 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.392 5.927 -3.504 1.00 0.00 H new ATOM 1734 N GLN A 113 12.541 7.818 -1.821 1.00 0.00 N ATOM 1735 CA GLN A 113 11.435 8.755 -1.463 1.00 0.00 C ATOM 1736 C GLN A 113 10.304 7.993 -0.776 1.00 0.00 C ATOM 1737 O GLN A 113 9.303 8.557 -0.403 1.00 0.00 O ATOM 1738 CB GLN A 113 10.961 9.330 -2.797 1.00 0.00 C ATOM 1739 CG GLN A 113 12.067 10.204 -3.383 1.00 0.00 C ATOM 1740 CD GLN A 113 12.574 9.587 -4.687 1.00 0.00 C ATOM 1741 OE1 GLN A 113 12.068 9.886 -5.751 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.560 8.736 -4.651 1.00 0.00 N ATOM 0 H GLN A 113 12.385 7.270 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 113 11.758 9.535 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.713 8.524 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.054 9.917 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.690 11.210 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.887 10.297 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.985 8.485 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 113 13.907 8.321 -5.516 1.00 0.00 H new ATOM 1751 N LEU A 114 10.453 6.711 -0.621 1.00 0.00 N ATOM 1752 CA LEU A 114 9.380 5.906 0.027 1.00 0.00 C ATOM 1753 C LEU A 114 8.876 6.556 1.320 1.00 0.00 C ATOM 1754 O LEU A 114 7.688 6.700 1.496 1.00 0.00 O ATOM 1755 CB LEU A 114 10.020 4.559 0.330 1.00 0.00 C ATOM 1756 CG LEU A 114 9.993 3.688 -0.922 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.393 3.138 -1.185 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.020 2.528 -0.710 1.00 0.00 C ATOM 0 H LEU A 114 11.274 6.182 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 114 8.510 5.821 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.048 4.700 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.485 4.065 1.141 1.00 0.00 H new ATOM 0 HG LEU A 114 9.669 4.283 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.377 2.515 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 114 12.087 3.965 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.715 2.540 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 114 8.998 1.903 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.345 1.931 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.022 2.921 -0.518 1.00 0.00 H new ATOM 1770 N PRO A 115 9.776 6.924 2.197 1.00 0.00 N ATOM 1771 CA PRO A 115 9.347 7.545 3.476 1.00 0.00 C ATOM 1772 C PRO A 115 8.612 8.850 3.193 1.00 0.00 C ATOM 1773 O PRO A 115 7.475 9.028 3.585 1.00 0.00 O ATOM 1774 CB PRO A 115 10.659 7.762 4.230 1.00 0.00 C ATOM 1775 CG PRO A 115 11.698 7.802 3.160 1.00 0.00 C ATOM 1776 CD PRO A 115 11.237 6.831 2.105 1.00 0.00 C ATOM 0 HA PRO A 115 8.651 6.938 4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.641 8.690 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.849 6.956 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.798 8.807 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.675 7.519 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.599 7.107 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.592 5.819 2.303 1.00 0.00 H new ATOM 1784 N TYR A 116 9.229 9.752 2.490 1.00 0.00 N ATOM 1785 CA TYR A 116 8.530 11.019 2.162 1.00 0.00 C ATOM 1786 C TYR A 116 7.299 10.686 1.303 1.00 0.00 C ATOM 1787 O TYR A 116 6.226 11.222 1.498 1.00 0.00 O ATOM 1788 CB TYR A 116 9.588 11.862 1.432 1.00 0.00 C ATOM 1789 CG TYR A 116 9.126 12.258 0.053 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.033 13.115 -0.101 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.803 11.774 -1.068 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.617 13.490 -1.384 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.387 12.144 -2.350 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.294 13.003 -2.509 1.00 0.00 C ATOM 1795 OH TYR A 116 7.885 13.374 -3.775 1.00 0.00 O ATOM 0 H TYR A 116 10.180 9.668 2.131 1.00 0.00 H new ATOM 0 HA TYR A 116 8.150 11.571 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.806 12.757 2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.517 11.296 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.510 13.487 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.648 11.113 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.774 14.155 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.909 11.767 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 116 8.462 12.949 -4.443 1.00 0.00 H new ATOM 1805 N GLN A 117 7.445 9.767 0.383 1.00 0.00 N ATOM 1806 CA GLN A 117 6.287 9.347 -0.459 1.00 0.00 C ATOM 1807 C GLN A 117 5.228 8.727 0.443 1.00 0.00 C ATOM 1808 O GLN A 117 4.048 8.948 0.277 1.00 0.00 O ATOM 1809 CB GLN A 117 6.838 8.305 -1.437 1.00 0.00 C ATOM 1810 CG GLN A 117 7.722 8.989 -2.484 1.00 0.00 C ATOM 1811 CD GLN A 117 6.922 9.197 -3.773 1.00 0.00 C ATOM 1812 OE1 GLN A 117 6.679 8.261 -4.509 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.500 10.392 -4.080 1.00 0.00 N ATOM 0 H GLN A 117 8.322 9.288 0.179 1.00 0.00 H new ATOM 0 HA GLN A 117 5.832 10.180 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.414 7.555 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.016 7.783 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.077 9.948 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.603 8.380 -2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.703 11.179 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.967 10.540 -4.937 1.00 0.00 H new ATOM 1822 N VAL A 118 5.652 7.959 1.409 1.00 0.00 N ATOM 1823 CA VAL A 118 4.680 7.332 2.347 1.00 0.00 C ATOM 1824 C VAL A 118 3.937 8.438 3.102 1.00 0.00 C ATOM 1825 O VAL A 118 2.723 8.492 3.107 1.00 0.00 O ATOM 1826 CB VAL A 118 5.528 6.483 3.306 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.798 6.313 4.643 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.762 5.099 2.694 1.00 0.00 C ATOM 0 H VAL A 118 6.632 7.739 1.589 1.00 0.00 H new ATOM 0 HA VAL A 118 3.934 6.719 1.841 1.00 0.00 H new ATOM 0 HB VAL A 118 6.481 6.986 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.407 5.710 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.625 7.292 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.842 5.816 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.364 4.497 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.803 4.608 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.286 5.205 1.744 1.00 0.00 H new ATOM 1838 N ASP A 119 4.658 9.332 3.730 1.00 0.00 N ATOM 1839 CA ASP A 119 3.982 10.437 4.462 1.00 0.00 C ATOM 1840 C ASP A 119 3.082 11.191 3.487 1.00 0.00 C ATOM 1841 O ASP A 119 1.967 11.557 3.804 1.00 0.00 O ATOM 1842 CB ASP A 119 5.109 11.339 4.971 1.00 0.00 C ATOM 1843 CG ASP A 119 5.848 10.638 6.113 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.220 9.856 6.806 1.00 0.00 O ATOM 1845 OD2 ASP A 119 7.030 10.896 6.272 1.00 0.00 O ATOM 0 H ASP A 119 5.677 9.342 3.766 1.00 0.00 H new ATOM 0 HA ASP A 119 3.362 10.085 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.802 11.566 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.701 12.289 5.317 1.00 0.00 H new ATOM 1850 N ALA A 120 3.550 11.398 2.286 1.00 0.00 N ATOM 1851 CA ALA A 120 2.713 12.094 1.272 1.00 0.00 C ATOM 1852 C ALA A 120 1.585 11.157 0.849 1.00 0.00 C ATOM 1853 O ALA A 120 0.457 11.563 0.655 1.00 0.00 O ATOM 1854 CB ALA A 120 3.653 12.377 0.099 1.00 0.00 C ATOM 0 H ALA A 120 4.476 11.115 1.965 1.00 0.00 H new ATOM 0 HA ALA A 120 2.263 13.015 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.105 12.891 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.477 13.005 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.048 11.437 -0.286 1.00 0.00 H new ATOM 1860 N ALA A 121 1.890 9.892 0.717 1.00 0.00 N ATOM 1861 CA ALA A 121 0.850 8.907 0.324 1.00 0.00 C ATOM 1862 C ALA A 121 -0.267 8.900 1.368 1.00 0.00 C ATOM 1863 O ALA A 121 -1.435 8.827 1.042 1.00 0.00 O ATOM 1864 CB ALA A 121 1.580 7.560 0.288 1.00 0.00 C ATOM 0 H ALA A 121 2.820 9.501 0.866 1.00 0.00 H new ATOM 0 HA ALA A 121 0.387 9.136 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.880 6.774 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.390 7.604 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.990 7.342 1.274 1.00 0.00 H new ATOM 1870 N LEU A 122 0.082 8.986 2.625 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.967 8.997 3.684 1.00 0.00 C ATOM 1872 C LEU A 122 -1.867 10.214 3.495 1.00 0.00 C ATOM 1873 O LEU A 122 -3.070 10.098 3.381 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.203 9.102 5.006 1.00 0.00 C ATOM 1875 CG LEU A 122 0.704 7.884 5.182 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.848 8.236 6.134 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.107 6.729 5.772 1.00 0.00 C ATOM 0 H LEU A 122 1.043 9.049 2.962 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.600 8.110 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.393 10.015 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.905 9.167 5.837 1.00 0.00 H new ATOM 0 HG LEU A 122 1.111 7.590 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.496 7.369 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.425 9.062 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.439 8.528 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.538 5.859 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.511 7.025 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.926 6.478 5.098 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.291 11.383 3.449 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.113 12.605 3.253 1.00 0.00 C ATOM 1891 C ALA A 123 -2.809 12.535 1.893 1.00 0.00 C ATOM 1892 O ALA A 123 -3.953 12.916 1.749 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.121 13.769 3.296 1.00 0.00 C ATOM 0 H ALA A 123 -0.288 11.543 3.539 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.889 12.717 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.656 14.708 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.613 13.779 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.386 13.650 2.500 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.128 12.044 0.894 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.757 11.944 -0.454 1.00 0.00 C ATOM 1901 C GLU A 124 -3.939 10.974 -0.417 1.00 0.00 C ATOM 1902 O GLU A 124 -4.972 11.219 -1.010 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.656 11.410 -1.372 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.018 11.711 -2.828 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.838 10.555 -3.403 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -2.944 9.541 -2.735 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.346 10.704 -4.502 1.00 0.00 O ATOM 0 H GLU A 124 -1.166 11.709 0.952 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.143 12.904 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.701 11.872 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.538 10.336 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.587 12.639 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -1.112 11.855 -3.416 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.801 9.872 0.273 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.924 8.893 0.338 1.00 0.00 C ATOM 1916 C PHE A 125 -6.106 9.490 1.103 1.00 0.00 C ATOM 1917 O PHE A 125 -7.252 9.275 0.762 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.359 7.688 1.090 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.431 6.633 1.224 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.615 5.693 0.204 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -6.242 6.597 2.366 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.610 4.715 0.325 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -7.237 5.618 2.487 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.421 4.677 1.467 1.00 0.00 C ATOM 0 H PHE A 125 -2.963 9.609 0.792 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.289 8.623 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.499 7.283 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.008 7.993 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.990 5.722 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -6.100 7.323 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.752 3.990 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -7.862 5.589 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.188 3.922 1.560 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.834 10.226 2.144 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.940 10.826 2.942 1.00 0.00 C ATOM 1936 C LEU A 126 -7.793 11.765 2.084 1.00 0.00 C ATOM 1937 O LEU A 126 -9.005 11.684 2.082 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.237 11.599 4.053 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.567 10.608 5.000 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.839 11.372 6.107 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.636 9.701 5.615 1.00 0.00 C ATOM 0 H LEU A 126 -4.894 10.438 2.477 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.622 10.069 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.495 12.276 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.955 12.213 4.597 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.847 10.002 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.360 10.664 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.082 12.020 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.555 11.977 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.164 8.990 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.354 10.307 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.153 9.159 4.823 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.174 12.657 1.360 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.963 13.600 0.513 1.00 0.00 C ATOM 1955 C ARG A 127 -8.773 12.827 -0.532 1.00 0.00 C ATOM 1956 O ARG A 127 -9.910 13.148 -0.812 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.922 14.490 -0.168 1.00 0.00 C ATOM 1958 CG ARG A 127 -6.040 15.145 0.895 1.00 0.00 C ATOM 1959 CD ARG A 127 -5.373 16.389 0.306 1.00 0.00 C ATOM 1960 NE ARG A 127 -3.917 16.080 0.304 1.00 0.00 N ATOM 1961 CZ ARG A 127 -3.059 16.968 -0.125 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -3.475 18.125 -0.559 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -1.783 16.697 -0.120 1.00 0.00 N ATOM 0 H ARG A 127 -6.162 12.775 1.317 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.675 14.180 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.311 13.898 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.417 15.254 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.640 15.417 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.282 14.441 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.735 16.591 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.588 17.274 0.905 1.00 0.00 H new ATOM 0 HE ARG A 127 -3.588 15.174 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.472 18.339 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -2.803 18.816 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.455 15.792 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.113 17.390 -0.455 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.193 11.811 -1.110 1.00 0.00 N ATOM 1978 CA LEU A 128 -8.923 11.017 -2.140 1.00 0.00 C ATOM 1979 C LEU A 128 -9.816 9.964 -1.483 1.00 0.00 C ATOM 1980 O LEU A 128 -10.751 9.475 -2.084 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.828 10.357 -2.975 1.00 0.00 C ATOM 1982 CG LEU A 128 -7.411 11.299 -4.108 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -6.734 12.537 -3.521 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -6.432 10.577 -5.037 1.00 0.00 C ATOM 0 H LEU A 128 -7.243 11.495 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.581 11.639 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.968 10.123 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.188 9.414 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.294 11.601 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.438 13.207 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.430 13.052 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.851 12.236 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -6.135 11.247 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.550 10.275 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -6.913 9.694 -5.457 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.539 9.599 -0.263 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.383 8.567 0.402 1.00 0.00 C ATOM 1998 C ALA A 129 -11.781 9.129 0.692 1.00 0.00 C ATOM 1999 O ALA A 129 -11.910 10.253 1.132 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.656 8.235 1.704 1.00 0.00 C ATOM 0 H ALA A 129 -8.771 9.967 0.299 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.521 7.684 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.218 7.479 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.660 7.854 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.570 9.135 2.312 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.792 8.327 0.446 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.593 6.954 -0.095 1.00 0.00 C ATOM 2008 C PRO A 130 -12.267 6.999 -1.596 1.00 0.00 C ATOM 2009 O PRO A 130 -13.076 7.415 -2.401 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.945 6.285 0.132 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.935 7.406 0.168 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.211 8.631 0.662 1.00 0.00 C ATOM 0 HA PRO A 130 -11.765 6.429 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.176 5.581 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.954 5.721 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.353 7.581 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.768 7.161 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.515 9.521 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.421 8.820 1.715 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.096 6.560 -1.984 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.741 6.569 -3.436 1.00 0.00 C ATOM 2022 C VAL A 131 -11.573 5.522 -4.176 1.00 0.00 C ATOM 2023 O VAL A 131 -12.228 4.699 -3.568 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.255 6.210 -3.504 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.440 7.240 -2.726 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -9.034 4.826 -2.898 1.00 0.00 C ATOM 0 H VAL A 131 -10.374 6.197 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.939 7.536 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.935 6.207 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.382 6.981 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.593 8.228 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.762 7.248 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.975 4.572 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.358 4.828 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.610 4.088 -3.456 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.559 5.540 -5.480 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.358 4.537 -6.237 1.00 0.00 C ATOM 2038 C GLU A 132 -11.494 3.328 -6.610 1.00 0.00 C ATOM 2039 O GLU A 132 -10.722 3.364 -7.547 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.842 5.272 -7.487 1.00 0.00 C ATOM 2041 CG GLU A 132 -14.192 5.932 -7.195 1.00 0.00 C ATOM 2042 CD GLU A 132 -14.001 7.090 -6.211 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.568 8.146 -6.644 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -14.295 6.902 -5.043 1.00 0.00 O ATOM 0 H GLU A 132 -11.032 6.201 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.190 4.149 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.113 6.025 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.938 4.574 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.636 6.299 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.883 5.199 -6.779 1.00 0.00 H new ATOM 2051 N THR A 133 -11.629 2.252 -5.880 1.00 0.00 N ATOM 2052 CA THR A 133 -10.830 1.028 -6.182 1.00 0.00 C ATOM 2053 C THR A 133 -11.539 0.201 -7.261 1.00 0.00 C ATOM 2054 O THR A 133 -12.058 -0.867 -6.999 1.00 0.00 O ATOM 2055 CB THR A 133 -10.777 0.257 -4.858 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.961 0.519 -4.116 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.559 0.705 -4.048 1.00 0.00 C ATOM 0 H THR A 133 -12.261 2.168 -5.084 1.00 0.00 H new ATOM 0 HA THR A 133 -9.833 1.258 -6.557 1.00 0.00 H new ATOM 0 HB THR A 133 -10.699 -0.811 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.932 0.027 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.525 0.155 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.651 0.507 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.632 1.773 -3.841 1.00 0.00 H new ATOM 2065 N MET A 134 -11.578 0.695 -8.472 1.00 0.00 N ATOM 2066 CA MET A 134 -12.267 -0.054 -9.568 1.00 0.00 C ATOM 2067 C MET A 134 -11.454 -1.280 -9.996 1.00 0.00 C ATOM 2068 O MET A 134 -11.165 -1.465 -11.162 1.00 0.00 O ATOM 2069 CB MET A 134 -12.361 0.939 -10.728 1.00 0.00 C ATOM 2070 CG MET A 134 -13.236 2.128 -10.325 1.00 0.00 C ATOM 2071 SD MET A 134 -13.362 3.271 -11.722 1.00 0.00 S ATOM 2072 CE MET A 134 -11.587 3.429 -12.036 1.00 0.00 C ATOM 0 H MET A 134 -11.163 1.584 -8.750 1.00 0.00 H new ATOM 0 HA MET A 134 -13.242 -0.421 -9.248 1.00 0.00 H new ATOM 0 HB2 MET A 134 -11.365 1.286 -11.003 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.781 0.448 -11.606 1.00 0.00 H new ATOM 0 HG2 MET A 134 -14.227 1.783 -10.031 1.00 0.00 H new ATOM 0 HG3 MET A 134 -12.806 2.636 -9.461 1.00 0.00 H new ATOM 0 HE1 MET A 134 -11.390 4.372 -12.546 1.00 0.00 H new ATOM 0 HE2 MET A 134 -11.047 3.409 -11.089 1.00 0.00 H new ATOM 0 HE3 MET A 134 -11.253 2.602 -12.662 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.089 -2.126 -9.072 1.00 0.00 N ATOM 2083 CA ALA A 135 -10.306 -3.337 -9.454 1.00 0.00 C ATOM 2084 C ALA A 135 -11.016 -4.079 -10.590 1.00 0.00 C ATOM 2085 O ALA A 135 -10.332 -4.712 -11.378 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.264 -4.204 -8.198 1.00 0.00 C ATOM 2087 OXT ALA A 135 -12.233 -4.000 -10.654 1.00 0.00 O ATOM 0 H ALA A 135 -11.296 -2.034 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.305 -3.086 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.703 -5.115 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.779 -3.653 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.280 -4.463 -7.901 1.00 0.00 H new