USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 675 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 69 SER OG : rot -120:sc= 0.00697 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0174 USER MOD Set 2.1: A 44 TYR OH : rot 27:sc= 0.263 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.0263 K(o=0.29,f=-1) USER MOD Set 3.1: A 43 HIS : no HD1:sc= 0.631 K(o=1.4,f=-0.033) USER MOD Set 3.2: A 50 SER OG : rot -140:sc= 0.734 USER MOD Set 4.1: A 10 HIS : no HD1:sc= -0.121 X(o=-0.079,f=-0.56) USER MOD Set 4.2: A 81 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -1.17 (180deg=-1.18) USER MOD Single : A 25 TYR OH : rot 73:sc= 0.378 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 38 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.91 K(o=0.91,f=-5.3!) USER MOD Single : A 56 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 157:sc= 0 (180deg=-0.269) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 19:sc= -0.483 USER MOD Single : A 82 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 1.636 -16.994 2.928 1.00 0.00 N ATOM 30 CA ASP A 3 0.864 -15.793 3.260 1.00 0.00 C ATOM 31 C ASP A 3 1.787 -14.656 3.697 1.00 0.00 C ATOM 32 O ASP A 3 2.311 -14.659 4.814 1.00 0.00 O ATOM 33 CB ASP A 3 -0.167 -16.087 4.359 1.00 0.00 C ATOM 34 CG ASP A 3 0.450 -16.722 5.591 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.931 -17.872 5.493 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.448 -16.069 6.657 1.00 0.00 O ATOM 0 HA ASP A 3 0.331 -15.483 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.662 -15.159 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.936 -16.749 3.961 1.00 0.00 H new ATOM 41 N VAL A 4 1.986 -13.686 2.805 1.00 0.00 N ATOM 42 CA VAL A 4 2.848 -12.542 3.091 1.00 0.00 C ATOM 43 C VAL A 4 2.138 -11.518 3.969 1.00 0.00 C ATOM 44 O VAL A 4 1.013 -11.107 3.679 1.00 0.00 O ATOM 45 CB VAL A 4 3.315 -11.847 1.794 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.348 -10.776 2.108 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.873 -12.860 0.808 1.00 0.00 C ATOM 0 H VAL A 4 1.561 -13.671 1.878 1.00 0.00 H new ATOM 0 HA VAL A 4 3.717 -12.933 3.621 1.00 0.00 H new ATOM 0 HB VAL A 4 2.452 -11.368 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.667 -10.296 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.909 -10.031 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.209 -11.233 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.195 -12.347 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.723 -13.374 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.101 -13.587 0.557 1.00 0.00 H new ATOM 57 N ARG A 5 2.806 -11.102 5.043 1.00 0.00 N ATOM 58 CA ARG A 5 2.243 -10.118 5.963 1.00 0.00 C ATOM 59 C ARG A 5 2.567 -8.699 5.508 1.00 0.00 C ATOM 60 O ARG A 5 3.734 -8.345 5.333 1.00 0.00 O ATOM 61 CB ARG A 5 2.773 -10.344 7.381 1.00 0.00 C ATOM 62 CG ARG A 5 1.890 -11.245 8.226 1.00 0.00 C ATOM 63 CD ARG A 5 2.406 -11.351 9.652 1.00 0.00 C ATOM 64 NE ARG A 5 1.363 -11.071 10.633 1.00 0.00 N ATOM 65 CZ ARG A 5 1.576 -10.991 11.946 1.00 0.00 C ATOM 66 NH1 ARG A 5 2.798 -11.167 12.443 1.00 0.00 N ATOM 67 NH2 ARG A 5 0.564 -10.733 12.768 1.00 0.00 N ATOM 0 H ARG A 5 3.737 -11.431 5.297 1.00 0.00 H new ATOM 0 HA ARG A 5 1.160 -10.243 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.770 -10.780 7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.876 -9.380 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.872 -10.855 8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.847 -12.238 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.803 -12.352 9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.232 -10.653 9.792 1.00 0.00 H new ATOM 0 HE ARG A 5 0.412 -10.928 10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.579 -11.365 11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.953 -11.104 13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.375 -10.596 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.726 -10.672 13.773 1.00 0.00 H new ATOM 81 N ILE A 6 1.527 -7.891 5.319 1.00 0.00 N ATOM 82 CA ILE A 6 1.695 -6.506 4.889 1.00 0.00 C ATOM 83 C ILE A 6 1.155 -5.544 5.947 1.00 0.00 C ATOM 84 O ILE A 6 -0.007 -5.639 6.346 1.00 0.00 O ATOM 85 CB ILE A 6 0.980 -6.236 3.546 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.371 -7.291 2.505 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.308 -4.837 3.038 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.182 -7.911 1.804 1.00 0.00 C ATOM 0 H ILE A 6 0.557 -8.173 5.457 1.00 0.00 H new ATOM 0 HA ILE A 6 2.764 -6.340 4.754 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.096 -6.299 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.024 -6.833 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.946 -8.077 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.796 -4.664 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.979 -4.098 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.384 -4.747 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.530 -8.649 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.460 -8.397 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.381 -7.134 1.287 1.00 0.00 H new ATOM 100 N LYS A 7 2.004 -4.621 6.395 1.00 0.00 N ATOM 101 CA LYS A 7 1.604 -3.644 7.404 1.00 0.00 C ATOM 102 C LYS A 7 1.148 -2.343 6.748 1.00 0.00 C ATOM 103 O LYS A 7 1.908 -1.707 6.014 1.00 0.00 O ATOM 104 CB LYS A 7 2.759 -3.362 8.369 1.00 0.00 C ATOM 105 CG LYS A 7 3.173 -4.569 9.197 1.00 0.00 C ATOM 106 CD LYS A 7 3.314 -4.217 10.670 1.00 0.00 C ATOM 107 CE LYS A 7 3.755 -5.419 11.494 1.00 0.00 C ATOM 108 NZ LYS A 7 5.192 -5.336 11.884 1.00 0.00 N ATOM 0 H LYS A 7 2.969 -4.530 6.077 1.00 0.00 H new ATOM 0 HA LYS A 7 0.769 -4.064 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.619 -3.011 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.470 -2.554 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.433 -5.361 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.120 -4.960 8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.039 -3.411 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.362 -3.845 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.140 -5.488 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.587 -6.331 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.449 -6.174 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.782 -5.296 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.348 -4.479 12.453 1.00 0.00 H new ATOM 122 N PHE A 8 -0.098 -1.957 7.021 1.00 0.00 N ATOM 123 CA PHE A 8 -0.667 -0.731 6.464 1.00 0.00 C ATOM 124 C PHE A 8 -0.923 0.295 7.567 1.00 0.00 C ATOM 125 O PHE A 8 -1.506 -0.029 8.603 1.00 0.00 O ATOM 126 CB PHE A 8 -1.972 -1.039 5.723 1.00 0.00 C ATOM 127 CG PHE A 8 -1.769 -1.749 4.410 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.188 -1.095 3.334 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.160 -3.070 4.253 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.002 -1.744 2.128 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.976 -3.724 3.048 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.397 -3.061 1.985 1.00 0.00 C ATOM 0 H PHE A 8 -0.734 -2.477 7.626 1.00 0.00 H new ATOM 0 HA PHE A 8 0.051 -0.312 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.607 -1.652 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.506 -0.106 5.543 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.877 -0.066 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.613 -3.594 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.548 -1.223 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.285 -4.753 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.253 -3.570 1.043 1.00 0.00 H new ATOM 142 N GLU A 9 -0.481 1.532 7.337 1.00 0.00 N ATOM 143 CA GLU A 9 -0.660 2.603 8.314 1.00 0.00 C ATOM 144 C GLU A 9 -1.494 3.743 7.736 1.00 0.00 C ATOM 145 O GLU A 9 -1.193 4.262 6.659 1.00 0.00 O ATOM 146 CB GLU A 9 0.699 3.137 8.774 1.00 0.00 C ATOM 147 CG GLU A 9 1.475 2.160 9.644 1.00 0.00 C ATOM 148 CD GLU A 9 2.789 1.738 9.015 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.777 2.492 9.141 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.830 0.652 8.399 1.00 0.00 O ATOM 0 H GLU A 9 0.002 1.815 6.485 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.191 2.188 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.298 3.385 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.547 4.063 9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.671 2.618 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.863 1.277 9.827 1.00 0.00 H new ATOM 157 N HIS A 10 -2.541 4.126 8.465 1.00 0.00 N ATOM 158 CA HIS A 10 -3.425 5.207 8.040 1.00 0.00 C ATOM 159 C HIS A 10 -3.641 6.200 9.178 1.00 0.00 C ATOM 160 O HIS A 10 -4.191 5.849 10.224 1.00 0.00 O ATOM 161 CB HIS A 10 -4.770 4.640 7.574 1.00 0.00 C ATOM 162 CG HIS A 10 -5.679 5.661 6.958 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.052 5.616 7.081 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.408 6.755 6.207 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.584 6.636 6.433 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.608 7.344 5.894 1.00 0.00 N ATOM 0 H HIS A 10 -2.797 3.701 9.356 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.955 5.730 7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.587 3.846 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.276 4.184 8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.429 7.100 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.639 6.854 6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.726 8.190 5.336 1.00 0.00 H new ATOM 175 N ASN A 11 -3.205 7.444 8.965 1.00 0.00 N ATOM 176 CA ASN A 11 -3.345 8.503 9.968 1.00 0.00 C ATOM 177 C ASN A 11 -2.695 8.107 11.300 1.00 0.00 C ATOM 178 O ASN A 11 -3.164 8.507 12.369 1.00 0.00 O ATOM 179 CB ASN A 11 -4.826 8.840 10.188 1.00 0.00 C ATOM 180 CG ASN A 11 -5.408 9.710 9.086 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.925 9.705 7.952 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.452 10.463 9.416 1.00 0.00 N ATOM 0 H ASN A 11 -2.750 7.744 8.103 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.829 9.385 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.398 7.914 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.938 9.351 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.886 11.068 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.820 10.436 10.367 1.00 0.00 H new ATOM 189 N GLY A 12 -1.618 7.321 11.230 1.00 0.00 N ATOM 190 CA GLY A 12 -0.935 6.888 12.440 1.00 0.00 C ATOM 191 C GLY A 12 -1.372 5.510 12.908 1.00 0.00 C ATOM 192 O GLY A 12 -0.601 4.795 13.551 1.00 0.00 O ATOM 0 H GLY A 12 -1.209 6.979 10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.140 6.881 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.121 7.611 13.234 1.00 0.00 H new ATOM 196 N GLU A 13 -2.613 5.137 12.591 1.00 0.00 N ATOM 197 CA GLU A 13 -3.147 3.838 12.988 1.00 0.00 C ATOM 198 C GLU A 13 -2.400 2.697 12.298 1.00 0.00 C ATOM 199 O GLU A 13 -1.922 2.845 11.171 1.00 0.00 O ATOM 200 CB GLU A 13 -4.645 3.756 12.679 1.00 0.00 C ATOM 201 CG GLU A 13 -5.508 3.600 13.919 1.00 0.00 C ATOM 202 CD GLU A 13 -5.400 2.215 14.522 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.394 1.947 15.216 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.314 1.397 14.299 1.00 0.00 O ATOM 0 H GLU A 13 -3.264 5.717 12.061 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.004 3.733 14.063 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.948 4.657 12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.825 2.914 12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.212 4.341 14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.548 3.803 13.663 1.00 0.00 H new ATOM 211 N ARG A 14 -2.299 1.562 12.993 1.00 0.00 N ATOM 212 CA ARG A 14 -1.605 0.389 12.461 1.00 0.00 C ATOM 213 C ARG A 14 -2.593 -0.722 12.108 1.00 0.00 C ATOM 214 O ARG A 14 -3.580 -0.933 12.815 1.00 0.00 O ATOM 215 CB ARG A 14 -0.574 -0.131 13.473 1.00 0.00 C ATOM 216 CG ARG A 14 -1.171 -0.529 14.817 1.00 0.00 C ATOM 217 CD ARG A 14 -0.092 -0.846 15.840 1.00 0.00 C ATOM 218 NE ARG A 14 0.450 0.363 16.460 1.00 0.00 N ATOM 219 CZ ARG A 14 -0.160 1.037 17.438 1.00 0.00 C ATOM 220 NH1 ARG A 14 -1.349 0.641 17.890 1.00 0.00 N ATOM 221 NH2 ARG A 14 0.413 2.117 17.957 1.00 0.00 N ATOM 0 H ARG A 14 -2.690 1.431 13.926 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.088 0.693 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.063 -0.993 13.045 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.180 0.639 13.636 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.800 0.280 15.190 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.815 -1.399 14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.505 -1.495 16.612 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.714 -1.398 15.357 1.00 0.00 H new ATOM 0 HE ARG A 14 1.348 0.712 16.125 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.799 -0.182 17.489 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.809 1.161 18.637 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.319 2.431 17.608 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.053 2.632 18.704 1.00 0.00 H new ATOM 235 N ARG A 15 -2.316 -1.433 11.013 1.00 0.00 N ATOM 236 CA ARG A 15 -3.177 -2.527 10.566 1.00 0.00 C ATOM 237 C ARG A 15 -2.353 -3.689 10.013 1.00 0.00 C ATOM 238 O ARG A 15 -1.359 -3.481 9.313 1.00 0.00 O ATOM 239 CB ARG A 15 -4.162 -2.030 9.503 1.00 0.00 C ATOM 240 CG ARG A 15 -5.617 -2.322 9.837 1.00 0.00 C ATOM 241 CD ARG A 15 -6.461 -2.480 8.580 1.00 0.00 C ATOM 242 NE ARG A 15 -6.450 -3.854 8.075 1.00 0.00 N ATOM 243 CZ ARG A 15 -6.779 -4.194 6.826 1.00 0.00 C ATOM 244 NH1 ARG A 15 -7.141 -3.264 5.946 1.00 0.00 N ATOM 245 NH2 ARG A 15 -6.744 -5.469 6.453 1.00 0.00 N ATOM 0 H ARG A 15 -1.502 -1.270 10.420 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.736 -2.887 11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.036 -0.955 9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.917 -2.494 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.678 -3.232 10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.020 -1.514 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.487 -2.182 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.088 -1.808 7.807 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.174 -4.597 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.169 -2.283 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.391 -3.532 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.466 -6.188 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.995 -5.728 5.499 1.00 0.00 H new ATOM 259 N ILE A 16 -2.775 -4.915 10.332 1.00 0.00 N ATOM 260 CA ILE A 16 -2.083 -6.120 9.874 1.00 0.00 C ATOM 261 C ILE A 16 -2.966 -6.943 8.938 1.00 0.00 C ATOM 262 O ILE A 16 -4.133 -7.203 9.240 1.00 0.00 O ATOM 263 CB ILE A 16 -1.650 -7.008 11.062 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.957 -6.167 12.139 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.732 -8.128 10.588 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.846 -5.843 13.321 1.00 0.00 C ATOM 0 H ILE A 16 -3.596 -5.099 10.908 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.197 -5.787 9.334 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.543 -7.456 11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.076 -6.701 12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.607 -5.236 11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.438 -8.742 11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.257 -8.745 9.859 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.157 -7.699 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.289 -5.246 14.043 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.715 -5.281 12.979 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.175 -6.769 13.793 1.00 0.00 H new ATOM 278 N ILE A 17 -2.403 -7.347 7.798 1.00 0.00 N ATOM 279 CA ILE A 17 -3.139 -8.140 6.815 1.00 0.00 C ATOM 280 C ILE A 17 -2.220 -9.148 6.114 1.00 0.00 C ATOM 281 O ILE A 17 -1.135 -8.796 5.647 1.00 0.00 O ATOM 282 CB ILE A 17 -3.823 -7.224 5.770 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.938 -7.978 5.029 1.00 0.00 C ATOM 284 CG2 ILE A 17 -2.804 -6.650 4.793 1.00 0.00 C ATOM 285 CD1 ILE A 17 -4.442 -9.036 4.066 1.00 0.00 C ATOM 0 H ILE A 17 -1.440 -7.138 7.534 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.909 -8.695 7.350 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.279 -6.388 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.592 -8.449 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.544 -7.258 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.312 -6.011 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.066 -6.064 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.304 -7.464 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.293 -9.519 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.813 -8.571 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.862 -9.781 4.611 1.00 0.00 H new ATOM 297 N ALA A 18 -2.663 -10.405 6.045 1.00 0.00 N ATOM 298 CA ALA A 18 -1.884 -11.462 5.401 1.00 0.00 C ATOM 299 C ALA A 18 -2.453 -11.802 4.023 1.00 0.00 C ATOM 300 O ALA A 18 -3.648 -12.073 3.884 1.00 0.00 O ATOM 301 CB ALA A 18 -1.844 -12.705 6.284 1.00 0.00 C ATOM 0 H ALA A 18 -3.557 -10.715 6.427 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.866 -11.097 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.261 -13.483 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.384 -12.457 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.859 -13.065 6.452 1.00 0.00 H new ATOM 307 N PHE A 19 -1.589 -11.784 3.005 1.00 0.00 N ATOM 308 CA PHE A 19 -2.000 -12.087 1.635 1.00 0.00 C ATOM 309 C PHE A 19 -1.362 -13.387 1.144 1.00 0.00 C ATOM 310 O PHE A 19 -0.136 -13.507 1.094 1.00 0.00 O ATOM 311 CB PHE A 19 -1.611 -10.936 0.699 1.00 0.00 C ATOM 312 CG PHE A 19 -2.718 -9.946 0.451 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.607 -10.125 -0.597 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.863 -8.831 1.262 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.619 -9.212 -0.832 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.873 -7.915 1.033 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.751 -8.106 -0.015 1.00 0.00 C ATOM 0 H PHE A 19 -0.599 -11.562 3.106 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.083 -12.209 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.756 -10.410 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.288 -11.351 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.508 -10.988 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.179 -8.676 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.305 -9.363 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.975 -7.051 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.540 -7.391 -0.196 1.00 0.00 H new ATOM 327 N SER A 20 -2.199 -14.356 0.775 1.00 0.00 N ATOM 328 CA SER A 20 -1.718 -15.645 0.280 1.00 0.00 C ATOM 329 C SER A 20 -1.367 -15.563 -1.205 1.00 0.00 C ATOM 330 O SER A 20 -2.173 -15.109 -2.017 1.00 0.00 O ATOM 331 CB SER A 20 -2.776 -16.728 0.504 1.00 0.00 C ATOM 332 OG SER A 20 -2.632 -17.327 1.779 1.00 0.00 O ATOM 0 H SER A 20 -3.215 -14.272 0.810 1.00 0.00 H new ATOM 0 HA SER A 20 -0.817 -15.905 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.771 -16.292 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.690 -17.490 -0.271 1.00 0.00 H new ATOM 0 HG SER A 20 -3.321 -18.014 1.897 1.00 0.00 H new ATOM 338 N ARG A 21 -0.159 -16.007 -1.552 1.00 0.00 N ATOM 339 CA ARG A 21 0.299 -15.986 -2.942 1.00 0.00 C ATOM 340 C ARG A 21 -0.309 -17.145 -3.735 1.00 0.00 C ATOM 341 O ARG A 21 -0.704 -18.158 -3.158 1.00 0.00 O ATOM 342 CB ARG A 21 1.827 -16.063 -2.997 1.00 0.00 C ATOM 343 CG ARG A 21 2.499 -14.716 -3.216 1.00 0.00 C ATOM 344 CD ARG A 21 4.006 -14.814 -3.053 1.00 0.00 C ATOM 345 NE ARG A 21 4.402 -14.972 -1.653 1.00 0.00 N ATOM 346 CZ ARG A 21 5.650 -15.233 -1.256 1.00 0.00 C ATOM 347 NH1 ARG A 21 6.622 -15.385 -2.151 1.00 0.00 N ATOM 348 NH2 ARG A 21 5.928 -15.346 0.037 1.00 0.00 N ATOM 0 H ARG A 21 0.520 -16.385 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.029 -15.049 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.194 -16.495 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.119 -16.740 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.263 -14.348 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.101 -13.990 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.378 -15.660 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.473 -13.918 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 21 3.681 -14.877 -0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.416 -15.302 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.573 -15.584 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.188 -15.233 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.882 -15.545 0.338 1.00 0.00 H new ATOM 362 N PRO A 22 -0.391 -17.016 -5.077 1.00 0.00 N ATOM 363 CA PRO A 22 0.068 -15.826 -5.809 1.00 0.00 C ATOM 364 C PRO A 22 -0.891 -14.644 -5.672 1.00 0.00 C ATOM 365 O PRO A 22 -2.087 -14.768 -5.948 1.00 0.00 O ATOM 366 CB PRO A 22 0.115 -16.310 -7.258 1.00 0.00 C ATOM 367 CG PRO A 22 -0.924 -17.375 -7.336 1.00 0.00 C ATOM 368 CD PRO A 22 -0.949 -18.039 -5.984 1.00 0.00 C ATOM 0 HA PRO A 22 1.021 -15.456 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.097 -15.498 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.101 -16.699 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.898 -16.951 -7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.685 -18.095 -8.119 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.962 -18.320 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.351 -18.950 -5.975 1.00 0.00 H new ATOM 376 N VAL A 23 -0.360 -13.499 -5.247 1.00 0.00 N ATOM 377 CA VAL A 23 -1.165 -12.293 -5.067 1.00 0.00 C ATOM 378 C VAL A 23 -0.950 -11.299 -6.214 1.00 0.00 C ATOM 379 O VAL A 23 0.144 -11.209 -6.774 1.00 0.00 O ATOM 380 CB VAL A 23 -0.848 -11.610 -3.715 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.602 -11.149 -3.661 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.794 -10.444 -3.466 1.00 0.00 C ATOM 0 H VAL A 23 0.628 -13.381 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.210 -12.601 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.996 -12.346 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.797 -10.673 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.262 -12.008 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.787 -10.435 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.554 -9.978 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.685 -9.710 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.821 -10.807 -3.444 1.00 0.00 H new ATOM 392 N LYS A 24 -2.007 -10.560 -6.555 1.00 0.00 N ATOM 393 CA LYS A 24 -1.948 -9.572 -7.633 1.00 0.00 C ATOM 394 C LYS A 24 -2.038 -8.151 -7.082 1.00 0.00 C ATOM 395 O LYS A 24 -2.733 -7.904 -6.095 1.00 0.00 O ATOM 396 CB LYS A 24 -3.088 -9.812 -8.630 1.00 0.00 C ATOM 397 CG LYS A 24 -2.631 -10.418 -9.946 1.00 0.00 C ATOM 398 CD LYS A 24 -2.577 -11.936 -9.872 1.00 0.00 C ATOM 399 CE LYS A 24 -1.155 -12.453 -10.030 1.00 0.00 C ATOM 400 NZ LYS A 24 -0.879 -13.613 -9.137 1.00 0.00 N ATOM 0 H LYS A 24 -2.917 -10.628 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.990 -9.685 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.826 -10.472 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.589 -8.865 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.311 -10.116 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.646 -10.030 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.982 -12.269 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.209 -12.362 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.989 -12.746 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.451 -11.650 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.148 -13.721 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.322 -13.451 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.270 -14.478 -9.561 1.00 0.00 H new ATOM 414 N TYR A 25 -1.342 -7.218 -7.737 1.00 0.00 N ATOM 415 CA TYR A 25 -1.355 -5.813 -7.322 1.00 0.00 C ATOM 416 C TYR A 25 -2.777 -5.253 -7.361 1.00 0.00 C ATOM 417 O TYR A 25 -3.175 -4.492 -6.479 1.00 0.00 O ATOM 418 CB TYR A 25 -0.436 -4.980 -8.222 1.00 0.00 C ATOM 419 CG TYR A 25 -0.367 -3.513 -7.850 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.269 -3.101 -6.685 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.934 -2.541 -8.667 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.338 -1.764 -6.344 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.868 -1.201 -8.331 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.233 -0.818 -7.169 1.00 0.00 C ATOM 425 OH TYR A 25 -0.166 0.515 -6.833 1.00 0.00 O ATOM 0 H TYR A 25 -0.764 -7.410 -8.555 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.987 -5.757 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.569 -5.400 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.780 -5.066 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.717 -3.838 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.433 -2.837 -9.578 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.837 -1.461 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.312 -0.458 -8.976 1.00 0.00 H new ATOM 0 HH TYR A 25 0.747 0.843 -6.975 1.00 0.00 H new ATOM 435 N GLU A 26 -3.538 -5.639 -8.389 1.00 0.00 N ATOM 436 CA GLU A 26 -4.919 -5.181 -8.540 1.00 0.00 C ATOM 437 C GLU A 26 -5.773 -5.634 -7.360 1.00 0.00 C ATOM 438 O GLU A 26 -6.571 -4.861 -6.831 1.00 0.00 O ATOM 439 CB GLU A 26 -5.524 -5.703 -9.848 1.00 0.00 C ATOM 440 CG GLU A 26 -6.226 -4.627 -10.665 1.00 0.00 C ATOM 441 CD GLU A 26 -7.715 -4.877 -10.831 1.00 0.00 C ATOM 442 OE1 GLU A 26 -8.104 -6.046 -11.048 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.492 -3.904 -10.749 1.00 0.00 O ATOM 0 H GLU A 26 -3.220 -6.267 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.907 -4.091 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.734 -6.149 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.236 -6.496 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.078 -3.660 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.762 -4.567 -11.650 1.00 0.00 H new ATOM 450 N ASP A 27 -5.604 -6.894 -6.957 1.00 0.00 N ATOM 451 CA ASP A 27 -6.367 -7.449 -5.839 1.00 0.00 C ATOM 452 C ASP A 27 -6.022 -6.749 -4.526 1.00 0.00 C ATOM 453 O ASP A 27 -6.912 -6.414 -3.746 1.00 0.00 O ATOM 454 CB ASP A 27 -6.110 -8.955 -5.702 1.00 0.00 C ATOM 455 CG ASP A 27 -7.380 -9.735 -5.420 1.00 0.00 C ATOM 456 OD1 ASP A 27 -8.138 -9.333 -4.510 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.621 -10.747 -6.111 1.00 0.00 O ATOM 0 H ASP A 27 -4.948 -7.547 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.423 -7.283 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.654 -9.328 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.395 -9.127 -4.898 1.00 0.00 H new ATOM 462 N VAL A 28 -4.729 -6.529 -4.285 1.00 0.00 N ATOM 463 CA VAL A 28 -4.285 -5.867 -3.060 1.00 0.00 C ATOM 464 C VAL A 28 -4.708 -4.400 -3.042 1.00 0.00 C ATOM 465 O VAL A 28 -5.232 -3.911 -2.041 1.00 0.00 O ATOM 466 CB VAL A 28 -2.756 -5.952 -2.874 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.344 -5.343 -1.541 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.281 -7.394 -2.976 1.00 0.00 C ATOM 0 H VAL A 28 -3.976 -6.798 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.764 -6.396 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.282 -5.381 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.262 -5.412 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.646 -4.296 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.829 -5.884 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.200 -7.431 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.763 -7.992 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.539 -7.794 -3.957 1.00 0.00 H new ATOM 478 N GLU A 29 -4.469 -3.704 -4.152 1.00 0.00 N ATOM 479 CA GLU A 29 -4.820 -2.291 -4.260 1.00 0.00 C ATOM 480 C GLU A 29 -6.332 -2.091 -4.175 1.00 0.00 C ATOM 481 O GLU A 29 -6.804 -1.211 -3.458 1.00 0.00 O ATOM 482 CB GLU A 29 -4.279 -1.703 -5.565 1.00 0.00 C ATOM 483 CG GLU A 29 -4.362 -0.184 -5.623 1.00 0.00 C ATOM 484 CD GLU A 29 -4.997 0.331 -6.900 1.00 0.00 C ATOM 485 OE1 GLU A 29 -6.058 -0.201 -7.296 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.435 1.270 -7.501 1.00 0.00 O ATOM 0 H GLU A 29 -4.034 -4.096 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.361 -1.766 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.240 -2.008 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.836 -2.122 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.936 0.175 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.359 0.232 -5.530 1.00 0.00 H new ATOM 493 N HIS A 30 -7.083 -2.917 -4.901 1.00 0.00 N ATOM 494 CA HIS A 30 -8.541 -2.829 -4.892 1.00 0.00 C ATOM 495 C HIS A 30 -9.083 -3.020 -3.474 1.00 0.00 C ATOM 496 O HIS A 30 -9.964 -2.282 -3.032 1.00 0.00 O ATOM 497 CB HIS A 30 -9.140 -3.877 -5.836 1.00 0.00 C ATOM 498 CG HIS A 30 -10.627 -3.776 -6.001 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.323 -2.591 -5.882 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.548 -4.725 -6.286 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.608 -2.816 -6.086 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.770 -4.102 -6.333 1.00 0.00 N ATOM 0 H HIS A 30 -6.707 -3.652 -5.500 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.830 -1.837 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.670 -3.780 -6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.894 -4.870 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.357 -5.776 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.392 -2.074 -6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.661 -4.560 -6.528 1.00 0.00 H new ATOM 511 N LYS A 31 -8.543 -4.014 -2.767 1.00 0.00 N ATOM 512 CA LYS A 31 -8.963 -4.305 -1.398 1.00 0.00 C ATOM 513 C LYS A 31 -8.637 -3.144 -0.461 1.00 0.00 C ATOM 514 O LYS A 31 -9.494 -2.699 0.303 1.00 0.00 O ATOM 515 CB LYS A 31 -8.294 -5.589 -0.892 1.00 0.00 C ATOM 516 CG LYS A 31 -9.201 -6.444 -0.022 1.00 0.00 C ATOM 517 CD LYS A 31 -8.579 -7.803 0.269 1.00 0.00 C ATOM 518 CE LYS A 31 -8.915 -8.281 1.674 1.00 0.00 C ATOM 519 NZ LYS A 31 -9.178 -9.748 1.717 1.00 0.00 N ATOM 0 H LYS A 31 -7.813 -4.631 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.044 -4.446 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.964 -6.178 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.402 -5.325 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.400 -5.926 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.161 -6.581 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.936 -8.531 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.497 -7.741 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.091 -8.041 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.791 -7.745 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.403 -10.032 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.981 -9.975 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.334 -10.262 1.393 1.00 0.00 H new ATOM 533 N VAL A 32 -7.396 -2.659 -0.515 1.00 0.00 N ATOM 534 CA VAL A 32 -6.973 -1.553 0.344 1.00 0.00 C ATOM 535 C VAL A 32 -7.747 -0.274 0.025 1.00 0.00 C ATOM 536 O VAL A 32 -8.143 0.460 0.932 1.00 0.00 O ATOM 537 CB VAL A 32 -5.460 -1.270 0.228 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.043 -0.182 1.208 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.653 -2.540 0.463 1.00 0.00 C ATOM 0 H VAL A 32 -6.671 -3.012 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.190 -1.863 1.366 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.256 -0.919 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.973 0.004 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.592 0.734 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.265 -0.504 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.590 -2.317 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.863 -2.925 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.928 -3.289 -0.280 1.00 0.00 H new ATOM 549 N THR A 33 -7.959 -0.014 -1.265 1.00 0.00 N ATOM 550 CA THR A 33 -8.690 1.175 -1.694 1.00 0.00 C ATOM 551 C THR A 33 -10.121 1.163 -1.154 1.00 0.00 C ATOM 552 O THR A 33 -10.640 2.199 -0.746 1.00 0.00 O ATOM 553 CB THR A 33 -8.691 1.282 -3.224 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.368 1.378 -3.722 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.459 2.478 -3.749 1.00 0.00 C ATOM 0 H THR A 33 -7.636 -0.609 -2.028 1.00 0.00 H new ATOM 0 HA THR A 33 -8.184 2.050 -1.286 1.00 0.00 H new ATOM 0 HB THR A 33 -9.184 0.374 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.882 0.550 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.416 2.488 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.498 2.413 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.016 3.395 -3.360 1.00 0.00 H new ATOM 563 N THR A 34 -10.758 -0.012 -1.147 1.00 0.00 N ATOM 564 CA THR A 34 -12.128 -0.128 -0.641 1.00 0.00 C ATOM 565 C THR A 34 -12.171 -0.004 0.884 1.00 0.00 C ATOM 566 O THR A 34 -13.070 0.636 1.429 1.00 0.00 O ATOM 567 CB THR A 34 -12.771 -1.452 -1.077 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.564 -1.691 -2.459 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.264 -1.501 -0.823 1.00 0.00 C ATOM 0 H THR A 34 -10.353 -0.886 -1.482 1.00 0.00 H new ATOM 0 HA THR A 34 -12.700 0.695 -1.071 1.00 0.00 H new ATOM 0 HB THR A 34 -12.285 -2.217 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.626 -1.928 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.658 -2.462 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.456 -1.377 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.754 -0.699 -1.376 1.00 0.00 H new ATOM 577 N VAL A 35 -11.207 -0.622 1.567 1.00 0.00 N ATOM 578 CA VAL A 35 -11.163 -0.574 3.028 1.00 0.00 C ATOM 579 C VAL A 35 -10.924 0.849 3.531 1.00 0.00 C ATOM 580 O VAL A 35 -11.693 1.366 4.342 1.00 0.00 O ATOM 581 CB VAL A 35 -10.070 -1.501 3.608 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.106 -1.482 5.130 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.228 -2.924 3.087 1.00 0.00 C ATOM 0 H VAL A 35 -10.453 -1.157 1.137 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.136 -0.923 3.372 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.100 -1.127 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.330 -2.140 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.933 -0.466 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.081 -1.826 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.447 -3.555 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.205 -3.311 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.146 -2.925 2.000 1.00 0.00 H new ATOM 593 N PHE A 36 -9.845 1.475 3.059 1.00 0.00 N ATOM 594 CA PHE A 36 -9.501 2.836 3.480 1.00 0.00 C ATOM 595 C PHE A 36 -10.212 3.911 2.645 1.00 0.00 C ATOM 596 O PHE A 36 -10.126 5.097 2.967 1.00 0.00 O ATOM 597 CB PHE A 36 -7.986 3.043 3.404 1.00 0.00 C ATOM 598 CG PHE A 36 -7.206 2.160 4.337 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.009 2.530 5.659 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.669 0.961 3.894 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.289 1.722 6.518 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.948 0.150 4.750 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.759 0.530 6.063 1.00 0.00 C ATOM 0 H PHE A 36 -9.196 1.064 2.388 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.842 2.945 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.654 2.859 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.759 4.085 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.423 3.460 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.816 0.657 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.141 2.022 7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.533 -0.780 4.392 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.198 -0.103 6.734 1.00 0.00 H new ATOM 613 N GLY A 37 -10.907 3.506 1.577 1.00 0.00 N ATOM 614 CA GLY A 37 -11.602 4.470 0.738 1.00 0.00 C ATOM 615 C GLY A 37 -10.703 5.063 -0.339 1.00 0.00 C ATOM 616 O GLY A 37 -9.511 4.760 -0.397 1.00 0.00 O ATOM 0 H GLY A 37 -10.999 2.534 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.457 3.986 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.994 5.273 1.362 1.00 0.00 H new ATOM 620 N GLN A 38 -11.275 5.913 -1.191 1.00 0.00 N ATOM 621 CA GLN A 38 -10.515 6.554 -2.267 1.00 0.00 C ATOM 622 C GLN A 38 -10.838 8.045 -2.354 1.00 0.00 C ATOM 623 O GLN A 38 -11.916 8.478 -1.942 1.00 0.00 O ATOM 624 CB GLN A 38 -10.796 5.874 -3.616 1.00 0.00 C ATOM 625 CG GLN A 38 -12.274 5.746 -3.959 1.00 0.00 C ATOM 626 CD GLN A 38 -12.696 6.668 -5.089 1.00 0.00 C ATOM 627 OE1 GLN A 38 -13.562 7.525 -4.916 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.085 6.496 -6.257 1.00 0.00 N ATOM 0 H GLN A 38 -12.260 6.174 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.456 6.443 -2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.300 6.440 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.350 4.880 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.490 4.715 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.869 5.968 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.372 5.774 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.329 7.087 -7.052 1.00 0.00 H new ATOM 637 N PRO A 39 -9.899 8.856 -2.884 1.00 0.00 N ATOM 638 CA PRO A 39 -8.606 8.383 -3.383 1.00 0.00 C ATOM 639 C PRO A 39 -7.528 8.300 -2.299 1.00 0.00 C ATOM 640 O PRO A 39 -7.576 9.025 -1.303 1.00 0.00 O ATOM 641 CB PRO A 39 -8.245 9.451 -4.411 1.00 0.00 C ATOM 642 CG PRO A 39 -8.832 10.711 -3.868 1.00 0.00 C ATOM 643 CD PRO A 39 -10.038 10.317 -3.046 1.00 0.00 C ATOM 0 HA PRO A 39 -8.667 7.368 -3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.165 9.537 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.657 9.212 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.104 11.243 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.119 11.383 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.048 10.826 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.968 10.576 -3.552 1.00 0.00 H new ATOM 651 N LEU A 40 -6.554 7.411 -2.508 1.00 0.00 N ATOM 652 CA LEU A 40 -5.455 7.227 -1.561 1.00 0.00 C ATOM 653 C LEU A 40 -4.123 7.064 -2.295 1.00 0.00 C ATOM 654 O LEU A 40 -4.093 6.674 -3.465 1.00 0.00 O ATOM 655 CB LEU A 40 -5.707 6.001 -0.679 1.00 0.00 C ATOM 656 CG LEU A 40 -6.677 6.218 0.484 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.071 4.887 1.099 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.059 7.130 1.536 1.00 0.00 C ATOM 0 H LEU A 40 -6.505 6.806 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.403 8.117 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.092 5.196 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.753 5.662 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.575 6.701 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.761 5.058 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.555 4.266 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.180 4.380 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.765 7.272 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.145 6.676 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.824 8.096 1.088 1.00 0.00 H new ATOM 670 N ASP A 41 -3.023 7.358 -1.599 1.00 0.00 N ATOM 671 CA ASP A 41 -1.688 7.238 -2.182 1.00 0.00 C ATOM 672 C ASP A 41 -0.881 6.146 -1.482 1.00 0.00 C ATOM 673 O ASP A 41 -0.621 6.228 -0.279 1.00 0.00 O ATOM 674 CB ASP A 41 -0.942 8.576 -2.089 1.00 0.00 C ATOM 675 CG ASP A 41 -1.260 9.503 -3.245 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.422 9.953 -3.346 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.346 9.784 -4.049 1.00 0.00 O ATOM 0 H ASP A 41 -3.032 7.681 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.803 6.965 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.202 9.068 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.131 8.388 -2.064 1.00 0.00 H new ATOM 682 N LEU A 42 -0.490 5.120 -2.241 1.00 0.00 N ATOM 683 CA LEU A 42 0.287 4.008 -1.694 1.00 0.00 C ATOM 684 C LEU A 42 1.765 4.384 -1.570 1.00 0.00 C ATOM 685 O LEU A 42 2.506 4.357 -2.555 1.00 0.00 O ATOM 686 CB LEU A 42 0.136 2.762 -2.576 1.00 0.00 C ATOM 687 CG LEU A 42 -1.302 2.275 -2.778 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.368 1.265 -3.914 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.848 1.673 -1.492 1.00 0.00 C ATOM 0 H LEU A 42 -0.699 5.037 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.099 3.786 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.571 2.973 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.718 1.952 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.922 3.131 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.397 0.930 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.019 1.731 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.735 0.410 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.871 1.333 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.228 0.828 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.838 2.427 -0.704 1.00 0.00 H new ATOM 701 N HIS A 43 2.187 4.740 -0.357 1.00 0.00 N ATOM 702 CA HIS A 43 3.574 5.129 -0.108 1.00 0.00 C ATOM 703 C HIS A 43 4.347 4.009 0.588 1.00 0.00 C ATOM 704 O HIS A 43 4.084 3.685 1.748 1.00 0.00 O ATOM 705 CB HIS A 43 3.618 6.406 0.738 1.00 0.00 C ATOM 706 CG HIS A 43 3.822 7.656 -0.065 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.683 8.663 0.319 1.00 0.00 N ATOM 708 CD2 HIS A 43 3.268 8.062 -1.233 1.00 0.00 C ATOM 709 CE1 HIS A 43 4.649 9.634 -0.577 1.00 0.00 C ATOM 710 NE2 HIS A 43 3.798 9.294 -1.528 1.00 0.00 N ATOM 0 H HIS A 43 1.588 4.767 0.468 1.00 0.00 H new ATOM 0 HA HIS A 43 4.050 5.319 -1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.687 6.492 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.422 6.319 1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.544 7.518 -1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.220 10.550 -0.538 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.571 9.856 -2.349 1.00 0.00 H new ATOM 719 N TYR A 44 5.309 3.427 -0.130 1.00 0.00 N ATOM 720 CA TYR A 44 6.134 2.349 0.405 1.00 0.00 C ATOM 721 C TYR A 44 7.437 2.913 0.975 1.00 0.00 C ATOM 722 O TYR A 44 8.253 3.472 0.241 1.00 0.00 O ATOM 723 CB TYR A 44 6.422 1.327 -0.706 1.00 0.00 C ATOM 724 CG TYR A 44 7.477 0.297 -0.359 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.827 0.587 -0.501 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.120 -0.965 0.096 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.793 -0.353 -0.197 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.080 -1.910 0.404 1.00 0.00 C ATOM 729 CZ TYR A 44 9.415 -1.599 0.256 1.00 0.00 C ATOM 730 OH TYR A 44 10.374 -2.538 0.559 1.00 0.00 O ATOM 0 H TYR A 44 5.535 3.688 -1.090 1.00 0.00 H new ATOM 0 HA TYR A 44 5.600 1.850 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.495 0.809 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.737 1.863 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.127 1.562 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.075 -1.212 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.839 -0.113 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.786 -2.887 0.759 1.00 0.00 H new ATOM 0 HH TYR A 44 11.204 -2.086 0.818 1.00 0.00 H new ATOM 740 N MET A 45 7.623 2.767 2.285 1.00 0.00 N ATOM 741 CA MET A 45 8.824 3.268 2.952 1.00 0.00 C ATOM 742 C MET A 45 9.808 2.134 3.231 1.00 0.00 C ATOM 743 O MET A 45 9.459 1.140 3.870 1.00 0.00 O ATOM 744 CB MET A 45 8.449 3.973 4.259 1.00 0.00 C ATOM 745 CG MET A 45 9.291 5.205 4.551 1.00 0.00 C ATOM 746 SD MET A 45 8.968 5.895 6.186 1.00 0.00 S ATOM 747 CE MET A 45 8.112 7.409 5.759 1.00 0.00 C ATOM 0 H MET A 45 6.958 2.306 2.906 1.00 0.00 H new ATOM 0 HA MET A 45 9.307 3.984 2.287 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.399 4.263 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.553 3.269 5.084 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.347 4.946 4.472 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.092 5.964 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.847 7.946 6.670 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.761 8.033 5.145 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.206 7.170 5.202 1.00 0.00 H new ATOM 757 N ASN A 46 11.042 2.293 2.754 1.00 0.00 N ATOM 758 CA ASN A 46 12.080 1.286 2.957 1.00 0.00 C ATOM 759 C ASN A 46 12.677 1.400 4.360 1.00 0.00 C ATOM 760 O ASN A 46 12.929 0.393 5.023 1.00 0.00 O ATOM 761 CB ASN A 46 13.180 1.432 1.902 1.00 0.00 C ATOM 762 CG ASN A 46 13.188 0.279 0.912 1.00 0.00 C ATOM 763 OD1 ASN A 46 12.876 -0.859 1.264 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.546 0.567 -0.334 1.00 0.00 N ATOM 0 H ASN A 46 11.346 3.110 2.224 1.00 0.00 H new ATOM 0 HA ASN A 46 11.624 0.301 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.041 2.369 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.149 1.489 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.570 -0.168 -1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.797 1.523 -0.584 1.00 0.00 H new ATOM 771 N ASN A 47 12.893 2.639 4.802 1.00 0.00 N ATOM 772 CA ASN A 47 13.452 2.904 6.125 1.00 0.00 C ATOM 773 C ASN A 47 13.398 4.397 6.434 1.00 0.00 C ATOM 774 O ASN A 47 12.705 4.827 7.358 1.00 0.00 O ATOM 775 CB ASN A 47 14.896 2.396 6.215 1.00 0.00 C ATOM 776 CG ASN A 47 15.160 1.636 7.500 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.376 2.233 8.555 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.148 0.309 7.420 1.00 0.00 N ATOM 0 H ASN A 47 12.688 3.478 4.259 1.00 0.00 H new ATOM 0 HA ASN A 47 12.853 2.371 6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.105 1.749 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.581 3.241 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.322 -0.254 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.965 -0.146 6.526 1.00 0.00 H new ATOM 785 N GLU A 48 14.134 5.183 5.650 1.00 0.00 N ATOM 786 CA GLU A 48 14.176 6.632 5.828 1.00 0.00 C ATOM 787 C GLU A 48 13.482 7.363 4.671 1.00 0.00 C ATOM 788 O GLU A 48 12.948 8.458 4.856 1.00 0.00 O ATOM 789 CB GLU A 48 15.628 7.104 5.942 1.00 0.00 C ATOM 790 CG GLU A 48 15.967 7.708 7.295 1.00 0.00 C ATOM 791 CD GLU A 48 16.059 9.220 7.251 1.00 0.00 C ATOM 792 OE1 GLU A 48 17.163 9.741 6.983 1.00 0.00 O ATOM 793 OE2 GLU A 48 15.027 9.884 7.481 1.00 0.00 O ATOM 0 H GLU A 48 14.711 4.838 4.883 1.00 0.00 H new ATOM 0 HA GLU A 48 13.640 6.870 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.291 6.260 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.823 7.843 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.208 7.415 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.916 7.300 7.644 1.00 0.00 H new ATOM 800 N LEU A 49 13.501 6.758 3.478 1.00 0.00 N ATOM 801 CA LEU A 49 12.886 7.358 2.296 1.00 0.00 C ATOM 802 C LEU A 49 11.596 6.633 1.913 1.00 0.00 C ATOM 803 O LEU A 49 11.414 5.455 2.231 1.00 0.00 O ATOM 804 CB LEU A 49 13.871 7.330 1.119 1.00 0.00 C ATOM 805 CG LEU A 49 14.360 8.698 0.630 1.00 0.00 C ATOM 806 CD1 LEU A 49 13.214 9.494 0.024 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.016 9.476 1.763 1.00 0.00 C ATOM 0 H LEU A 49 13.937 5.852 3.309 1.00 0.00 H new ATOM 0 HA LEU A 49 12.636 8.392 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.738 6.737 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.397 6.814 0.284 1.00 0.00 H new ATOM 0 HG LEU A 49 15.108 8.533 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.583 10.461 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.798 8.946 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.439 9.645 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.355 10.443 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.294 9.628 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.869 8.914 2.144 1.00 0.00 H new ATOM 819 N SER A 50 10.708 7.348 1.221 1.00 0.00 N ATOM 820 CA SER A 50 9.431 6.787 0.782 1.00 0.00 C ATOM 821 C SER A 50 9.361 6.713 -0.744 1.00 0.00 C ATOM 822 O SER A 50 9.683 7.679 -1.438 1.00 0.00 O ATOM 823 CB SER A 50 8.266 7.629 1.314 1.00 0.00 C ATOM 824 OG SER A 50 7.040 6.921 1.223 1.00 0.00 O ATOM 0 H SER A 50 10.851 8.321 0.952 1.00 0.00 H new ATOM 0 HA SER A 50 9.354 5.776 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.455 7.902 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.196 8.558 0.747 1.00 0.00 H new ATOM 0 HG SER A 50 6.327 7.535 0.948 1.00 0.00 H new ATOM 830 N ILE A 51 8.931 5.559 -1.256 1.00 0.00 N ATOM 831 CA ILE A 51 8.809 5.343 -2.698 1.00 0.00 C ATOM 832 C ILE A 51 7.392 4.886 -3.059 1.00 0.00 C ATOM 833 O ILE A 51 6.831 4.009 -2.402 1.00 0.00 O ATOM 834 CB ILE A 51 9.823 4.290 -3.201 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.234 4.601 -2.690 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.811 4.223 -4.723 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.202 3.448 -2.849 1.00 0.00 C ATOM 0 H ILE A 51 8.660 4.755 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 51 9.022 6.295 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 51 9.526 3.318 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.623 5.468 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.178 4.875 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.531 3.477 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.814 3.947 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.080 5.197 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.180 3.739 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.836 2.586 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.288 3.188 -3.904 1.00 0.00 H new ATOM 849 N LEU A 52 6.820 5.483 -4.105 1.00 0.00 N ATOM 850 CA LEU A 52 5.469 5.130 -4.549 1.00 0.00 C ATOM 851 C LEU A 52 5.491 3.896 -5.449 1.00 0.00 C ATOM 852 O LEU A 52 6.296 3.810 -6.377 1.00 0.00 O ATOM 853 CB LEU A 52 4.828 6.306 -5.293 1.00 0.00 C ATOM 854 CG LEU A 52 3.313 6.195 -5.500 1.00 0.00 C ATOM 855 CD1 LEU A 52 2.677 7.576 -5.576 1.00 0.00 C ATOM 856 CD2 LEU A 52 2.999 5.397 -6.758 1.00 0.00 C ATOM 0 H LEU A 52 7.269 6.212 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 52 4.875 4.900 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.038 7.223 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.306 6.404 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 52 2.892 5.669 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.602 7.474 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.867 8.115 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.107 8.129 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.919 5.330 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.437 5.895 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.416 4.394 -6.666 1.00 0.00 H new ATOM 868 N LEU A 53 4.597 2.946 -5.172 1.00 0.00 N ATOM 869 CA LEU A 53 4.511 1.718 -5.962 1.00 0.00 C ATOM 870 C LEU A 53 3.591 1.916 -7.168 1.00 0.00 C ATOM 871 O LEU A 53 2.379 2.063 -7.016 1.00 0.00 O ATOM 872 CB LEU A 53 4.007 0.554 -5.098 1.00 0.00 C ATOM 873 CG LEU A 53 4.689 0.404 -3.733 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.928 -0.585 -2.862 1.00 0.00 C ATOM 875 CD2 LEU A 53 6.137 -0.036 -3.902 1.00 0.00 C ATOM 0 H LEU A 53 3.924 3.003 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 53 5.511 1.476 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.936 0.680 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.139 -0.373 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 53 4.682 1.375 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.427 -0.679 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.909 -0.228 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.902 -1.558 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.603 -0.137 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.168 -0.995 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.678 0.709 -4.486 1.00 0.00 H new ATOM 887 N LYS A 54 4.180 1.926 -8.363 1.00 0.00 N ATOM 888 CA LYS A 54 3.421 2.116 -9.598 1.00 0.00 C ATOM 889 C LYS A 54 2.661 0.846 -9.989 1.00 0.00 C ATOM 890 O LYS A 54 1.429 0.836 -10.018 1.00 0.00 O ATOM 891 CB LYS A 54 4.359 2.545 -10.732 1.00 0.00 C ATOM 892 CG LYS A 54 3.721 3.507 -11.724 1.00 0.00 C ATOM 893 CD LYS A 54 4.284 4.914 -11.586 1.00 0.00 C ATOM 894 CE LYS A 54 3.562 5.898 -12.495 1.00 0.00 C ATOM 895 NZ LYS A 54 2.243 6.312 -11.938 1.00 0.00 N ATOM 0 H LYS A 54 5.183 1.804 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 54 2.687 2.903 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.243 3.015 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.698 1.658 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.888 3.146 -12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.643 3.530 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.195 5.242 -10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.347 4.907 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.186 6.780 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.415 5.445 -13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.786 6.982 -12.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.637 5.475 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.384 6.769 -11.014 1.00 0.00 H new ATOM 909 N ASN A 55 3.402 -0.216 -10.289 1.00 0.00 N ATOM 910 CA ASN A 55 2.799 -1.492 -10.679 1.00 0.00 C ATOM 911 C ASN A 55 3.497 -2.662 -9.976 1.00 0.00 C ATOM 912 O ASN A 55 4.283 -2.454 -9.051 1.00 0.00 O ATOM 913 CB ASN A 55 2.848 -1.663 -12.205 1.00 0.00 C ATOM 914 CG ASN A 55 4.265 -1.752 -12.746 1.00 0.00 C ATOM 915 OD1 ASN A 55 4.803 -2.846 -12.921 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.876 -0.604 -13.017 1.00 0.00 N ATOM 0 H ASN A 55 4.422 -0.221 -10.270 1.00 0.00 H new ATOM 0 HA ASN A 55 1.755 -1.489 -10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.302 -2.565 -12.482 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.337 -0.823 -12.676 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.827 -0.607 -13.385 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.394 0.281 -12.857 1.00 0.00 H new ATOM 923 N GLN A 56 3.200 -3.890 -10.409 1.00 0.00 N ATOM 924 CA GLN A 56 3.799 -5.084 -9.805 1.00 0.00 C ATOM 925 C GLN A 56 5.327 -5.013 -9.794 1.00 0.00 C ATOM 926 O GLN A 56 5.965 -5.566 -8.900 1.00 0.00 O ATOM 927 CB GLN A 56 3.351 -6.352 -10.539 1.00 0.00 C ATOM 928 CG GLN A 56 3.431 -7.605 -9.680 1.00 0.00 C ATOM 929 CD GLN A 56 2.068 -8.162 -9.313 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.058 -7.836 -9.937 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.034 -9.006 -8.290 1.00 0.00 N ATOM 0 H GLN A 56 2.551 -4.084 -11.172 1.00 0.00 H new ATOM 0 HA GLN A 56 3.451 -5.123 -8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.325 -6.221 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.970 -6.488 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.998 -8.368 -10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.982 -7.378 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.895 -9.249 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.147 -9.412 -7.993 1.00 0.00 H new ATOM 940 N ASP A 57 5.908 -4.335 -10.789 1.00 0.00 N ATOM 941 CA ASP A 57 7.364 -4.204 -10.877 1.00 0.00 C ATOM 942 C ASP A 57 7.946 -3.638 -9.580 1.00 0.00 C ATOM 943 O ASP A 57 8.979 -4.105 -9.100 1.00 0.00 O ATOM 944 CB ASP A 57 7.758 -3.312 -12.059 1.00 0.00 C ATOM 945 CG ASP A 57 9.260 -3.279 -12.287 1.00 0.00 C ATOM 946 OD1 ASP A 57 9.890 -4.358 -12.269 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.806 -2.173 -12.479 1.00 0.00 O ATOM 0 H ASP A 57 5.396 -3.872 -11.539 1.00 0.00 H new ATOM 0 HA ASP A 57 7.776 -5.201 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.264 -3.672 -12.962 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.398 -2.299 -11.881 1.00 0.00 H new ATOM 952 N ASP A 58 7.275 -2.630 -9.018 1.00 0.00 N ATOM 953 CA ASP A 58 7.724 -2.003 -7.775 1.00 0.00 C ATOM 954 C ASP A 58 7.627 -2.983 -6.607 1.00 0.00 C ATOM 955 O ASP A 58 8.573 -3.139 -5.834 1.00 0.00 O ATOM 956 CB ASP A 58 6.899 -0.747 -7.469 1.00 0.00 C ATOM 957 CG ASP A 58 7.597 0.532 -7.892 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.751 0.750 -7.465 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.988 1.316 -8.650 1.00 0.00 O ATOM 0 H ASP A 58 6.419 -2.231 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 58 8.767 -1.715 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.938 -0.816 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.691 -0.706 -6.400 1.00 0.00 H new ATOM 964 N LEU A 59 6.475 -3.640 -6.486 1.00 0.00 N ATOM 965 CA LEU A 59 6.247 -4.608 -5.416 1.00 0.00 C ATOM 966 C LEU A 59 7.187 -5.806 -5.545 1.00 0.00 C ATOM 967 O LEU A 59 7.698 -6.313 -4.544 1.00 0.00 O ATOM 968 CB LEU A 59 4.790 -5.079 -5.433 1.00 0.00 C ATOM 969 CG LEU A 59 4.379 -5.963 -4.251 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.135 -5.404 -3.574 1.00 0.00 C ATOM 971 CD2 LEU A 59 4.147 -7.396 -4.709 1.00 0.00 C ATOM 0 H LEU A 59 5.683 -3.519 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 59 6.454 -4.116 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.141 -4.203 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.613 -5.629 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 59 5.191 -5.966 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.857 -6.044 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.341 -4.398 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.315 -5.369 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.856 -8.008 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.354 -7.415 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.065 -7.792 -5.144 1.00 0.00 H new ATOM 983 N ASP A 60 7.410 -6.254 -6.782 1.00 0.00 N ATOM 984 CA ASP A 60 8.289 -7.393 -7.039 1.00 0.00 C ATOM 985 C ASP A 60 9.712 -7.092 -6.579 1.00 0.00 C ATOM 986 O ASP A 60 10.361 -7.933 -5.954 1.00 0.00 O ATOM 987 CB ASP A 60 8.284 -7.756 -8.529 1.00 0.00 C ATOM 988 CG ASP A 60 7.149 -8.694 -8.899 1.00 0.00 C ATOM 989 OD1 ASP A 60 6.887 -9.645 -8.132 1.00 0.00 O ATOM 990 OD2 ASP A 60 6.524 -8.478 -9.959 1.00 0.00 O ATOM 0 H ASP A 60 6.994 -5.845 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 60 7.912 -8.243 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.204 -6.844 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.235 -8.222 -8.789 1.00 0.00 H new ATOM 995 N LYS A 61 10.187 -5.884 -6.878 1.00 0.00 N ATOM 996 CA LYS A 61 11.529 -5.475 -6.478 1.00 0.00 C ATOM 997 C LYS A 61 11.644 -5.420 -4.955 1.00 0.00 C ATOM 998 O LYS A 61 12.683 -5.765 -4.393 1.00 0.00 O ATOM 999 CB LYS A 61 11.877 -4.113 -7.085 1.00 0.00 C ATOM 1000 CG LYS A 61 12.854 -4.207 -8.244 1.00 0.00 C ATOM 1001 CD LYS A 61 13.420 -2.845 -8.614 1.00 0.00 C ATOM 1002 CE LYS A 61 12.749 -2.284 -9.860 1.00 0.00 C ATOM 1003 NZ LYS A 61 11.689 -1.289 -9.531 1.00 0.00 N ATOM 0 H LYS A 61 9.664 -5.176 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 61 12.237 -6.215 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.962 -3.631 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.302 -3.475 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.669 -4.880 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.352 -4.640 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.282 -2.154 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.493 -2.929 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.501 -1.815 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.312 -3.101 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.261 -0.935 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.957 -1.742 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.109 -0.495 -9.006 1.00 0.00 H new ATOM 1017 N ALA A 62 10.565 -4.996 -4.294 1.00 0.00 N ATOM 1018 CA ALA A 62 10.542 -4.906 -2.835 1.00 0.00 C ATOM 1019 C ALA A 62 10.722 -6.281 -2.190 1.00 0.00 C ATOM 1020 O ALA A 62 11.407 -6.411 -1.176 1.00 0.00 O ATOM 1021 CB ALA A 62 9.243 -4.271 -2.360 1.00 0.00 C ATOM 0 H ALA A 62 9.697 -4.710 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 62 11.377 -4.276 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.243 -4.212 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.154 -3.268 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.400 -4.877 -2.690 1.00 0.00 H new ATOM 1027 N ILE A 63 10.108 -7.305 -2.784 1.00 0.00 N ATOM 1028 CA ILE A 63 10.212 -8.667 -2.261 1.00 0.00 C ATOM 1029 C ILE A 63 11.652 -9.165 -2.340 1.00 0.00 C ATOM 1030 O ILE A 63 12.168 -9.758 -1.390 1.00 0.00 O ATOM 1031 CB ILE A 63 9.292 -9.649 -3.022 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.852 -9.124 -3.046 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.346 -11.033 -2.383 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.058 -9.578 -4.251 1.00 0.00 C ATOM 0 H ILE A 63 9.536 -7.218 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 63 9.891 -8.632 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 63 9.646 -9.730 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.340 -9.451 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.872 -8.034 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.693 -11.712 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.369 -11.409 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.015 -10.968 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.050 -9.167 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.545 -9.228 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.006 -10.667 -4.263 1.00 0.00 H new ATOM 1046 N ASP A 64 12.298 -8.916 -3.480 1.00 0.00 N ATOM 1047 CA ASP A 64 13.682 -9.335 -3.689 1.00 0.00 C ATOM 1048 C ASP A 64 14.596 -8.770 -2.604 1.00 0.00 C ATOM 1049 O ASP A 64 15.460 -9.476 -2.083 1.00 0.00 O ATOM 1050 CB ASP A 64 14.172 -8.892 -5.073 1.00 0.00 C ATOM 1051 CG ASP A 64 15.373 -9.691 -5.551 1.00 0.00 C ATOM 1052 OD1 ASP A 64 15.451 -10.900 -5.238 1.00 0.00 O ATOM 1053 OD2 ASP A 64 16.236 -9.107 -6.237 1.00 0.00 O ATOM 0 H ASP A 64 11.883 -8.426 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 64 13.716 -10.423 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.360 -8.998 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.434 -7.834 -5.040 1.00 0.00 H new ATOM 1058 N ILE A 65 14.395 -7.495 -2.262 1.00 0.00 N ATOM 1059 CA ILE A 65 15.200 -6.842 -1.231 1.00 0.00 C ATOM 1060 C ILE A 65 14.884 -7.417 0.150 1.00 0.00 C ATOM 1061 O ILE A 65 15.780 -7.590 0.978 1.00 0.00 O ATOM 1062 CB ILE A 65 14.978 -5.312 -1.206 1.00 0.00 C ATOM 1063 CG1 ILE A 65 15.179 -4.717 -2.602 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.918 -4.654 -0.203 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.540 -3.357 -2.774 1.00 0.00 C ATOM 0 H ILE A 65 13.684 -6.897 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 65 16.244 -7.035 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 65 13.952 -5.117 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.247 -4.636 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.765 -5.401 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.749 -3.577 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.727 -5.056 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.951 -4.858 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.722 -2.995 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.466 -3.435 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.971 -2.659 -2.056 1.00 0.00 H new ATOM 1077 N LEU A 66 13.605 -7.712 0.391 1.00 0.00 N ATOM 1078 CA LEU A 66 13.173 -8.270 1.670 1.00 0.00 C ATOM 1079 C LEU A 66 13.859 -9.612 1.939 1.00 0.00 C ATOM 1080 O LEU A 66 14.361 -9.848 3.040 1.00 0.00 O ATOM 1081 CB LEU A 66 11.649 -8.438 1.691 1.00 0.00 C ATOM 1082 CG LEU A 66 10.992 -8.275 3.066 1.00 0.00 C ATOM 1083 CD1 LEU A 66 11.322 -6.915 3.668 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.483 -8.462 2.962 1.00 0.00 C ATOM 0 H LEU A 66 12.852 -7.573 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 66 13.461 -7.575 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.210 -7.710 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.403 -9.427 1.304 1.00 0.00 H new ATOM 0 HG LEU A 66 11.392 -9.044 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.844 -6.823 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.402 -6.820 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.956 -6.127 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.033 -8.343 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.070 -7.717 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.265 -9.460 2.582 1.00 0.00 H new ATOM 1096 N ASP A 67 13.886 -10.482 0.924 1.00 0.00 N ATOM 1097 CA ASP A 67 14.521 -11.798 1.051 1.00 0.00 C ATOM 1098 C ASP A 67 16.008 -11.652 1.376 1.00 0.00 C ATOM 1099 O ASP A 67 16.568 -12.445 2.135 1.00 0.00 O ATOM 1100 CB ASP A 67 14.349 -12.612 -0.239 1.00 0.00 C ATOM 1101 CG ASP A 67 13.009 -13.328 -0.317 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.516 -13.793 0.733 1.00 0.00 O ATOM 1103 OD2 ASP A 67 12.457 -13.426 -1.432 1.00 0.00 O ATOM 0 H ASP A 67 13.477 -10.299 0.008 1.00 0.00 H new ATOM 0 HA ASP A 67 14.032 -12.327 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.450 -11.948 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.151 -13.346 -0.308 1.00 0.00 H new ATOM 1108 N ARG A 68 16.639 -10.627 0.799 1.00 0.00 N ATOM 1109 CA ARG A 68 18.059 -10.363 1.028 1.00 0.00 C ATOM 1110 C ARG A 68 18.333 -10.032 2.499 1.00 0.00 C ATOM 1111 O ARG A 68 19.397 -10.358 3.026 1.00 0.00 O ATOM 1112 CB ARG A 68 18.535 -9.210 0.137 1.00 0.00 C ATOM 1113 CG ARG A 68 20.003 -9.305 -0.251 1.00 0.00 C ATOM 1114 CD ARG A 68 20.548 -7.960 -0.705 1.00 0.00 C ATOM 1115 NE ARG A 68 20.822 -7.931 -2.142 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.904 -8.472 -2.710 1.00 0.00 C ATOM 1117 NH1 ARG A 68 22.816 -9.100 -1.970 1.00 0.00 N ATOM 1118 NH2 ARG A 68 22.074 -8.382 -4.025 1.00 0.00 N ATOM 0 H ARG A 68 16.186 -9.965 0.168 1.00 0.00 H new ATOM 0 HA ARG A 68 18.612 -11.267 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.929 -9.188 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.366 -8.267 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.582 -9.665 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.122 -10.036 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.831 -7.177 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.464 -7.738 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 68 20.145 -7.469 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.692 -9.171 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.638 -9.510 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.380 -7.901 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.899 -8.794 -4.462 1.00 0.00 H new ATOM 1132 N SER A 69 17.370 -9.382 3.156 1.00 0.00 N ATOM 1133 CA SER A 69 17.515 -9.011 4.564 1.00 0.00 C ATOM 1134 C SER A 69 17.415 -10.239 5.474 1.00 0.00 C ATOM 1135 O SER A 69 16.741 -11.216 5.140 1.00 0.00 O ATOM 1136 CB SER A 69 16.453 -7.983 4.958 1.00 0.00 C ATOM 1137 OG SER A 69 16.644 -7.531 6.290 1.00 0.00 O ATOM 0 H SER A 69 16.483 -9.102 2.736 1.00 0.00 H new ATOM 0 HA SER A 69 18.504 -8.570 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.493 -7.135 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.461 -8.425 4.860 1.00 0.00 H new ATOM 0 HG SER A 69 15.848 -7.738 6.823 1.00 0.00 H new ATOM 1143 N SER A 70 18.090 -10.176 6.622 1.00 0.00 N ATOM 1144 CA SER A 70 18.085 -11.277 7.587 1.00 0.00 C ATOM 1145 C SER A 70 16.824 -11.257 8.454 1.00 0.00 C ATOM 1146 O SER A 70 16.328 -12.311 8.862 1.00 0.00 O ATOM 1147 CB SER A 70 19.325 -11.203 8.484 1.00 0.00 C ATOM 1148 OG SER A 70 20.492 -10.932 7.724 1.00 0.00 O ATOM 0 H SER A 70 18.649 -9.372 6.907 1.00 0.00 H new ATOM 0 HA SER A 70 18.098 -12.209 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.188 -10.425 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.447 -12.145 9.019 1.00 0.00 H new ATOM 0 HG SER A 70 21.268 -10.888 8.321 1.00 0.00 H new ATOM 1154 N SER A 71 16.314 -10.059 8.741 1.00 0.00 N ATOM 1155 CA SER A 71 15.114 -9.913 9.568 1.00 0.00 C ATOM 1156 C SER A 71 13.851 -10.309 8.800 1.00 0.00 C ATOM 1157 O SER A 71 13.227 -11.323 9.111 1.00 0.00 O ATOM 1158 CB SER A 71 14.987 -8.476 10.086 1.00 0.00 C ATOM 1159 OG SER A 71 15.039 -7.538 9.024 1.00 0.00 O ATOM 0 H SER A 71 16.711 -9.178 8.415 1.00 0.00 H new ATOM 0 HA SER A 71 15.218 -10.588 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.047 -8.364 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.789 -8.271 10.795 1.00 0.00 H new ATOM 0 HG SER A 71 14.954 -6.631 9.384 1.00 0.00 H new ATOM 1165 N MET A 72 13.475 -9.499 7.803 1.00 0.00 N ATOM 1166 CA MET A 72 12.283 -9.758 6.991 1.00 0.00 C ATOM 1167 C MET A 72 11.044 -9.931 7.874 1.00 0.00 C ATOM 1168 O MET A 72 10.630 -11.055 8.171 1.00 0.00 O ATOM 1169 CB MET A 72 12.497 -10.999 6.116 1.00 0.00 C ATOM 1170 CG MET A 72 11.323 -11.320 5.199 1.00 0.00 C ATOM 1171 SD MET A 72 11.846 -11.965 3.596 1.00 0.00 S ATOM 1172 CE MET A 72 10.482 -13.057 3.199 1.00 0.00 C ATOM 0 H MET A 72 13.983 -8.655 7.539 1.00 0.00 H new ATOM 0 HA MET A 72 12.117 -8.897 6.344 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.390 -10.853 5.508 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.687 -11.857 6.761 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.676 -12.050 5.686 1.00 0.00 H new ATOM 0 HG3 MET A 72 10.729 -10.419 5.047 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.438 -13.206 2.120 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.629 -14.018 3.693 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.548 -12.612 3.542 1.00 0.00 H new ATOM 1182 N LYS A 73 10.457 -8.811 8.296 1.00 0.00 N ATOM 1183 CA LYS A 73 9.270 -8.837 9.149 1.00 0.00 C ATOM 1184 C LYS A 73 8.162 -7.952 8.574 1.00 0.00 C ATOM 1185 O LYS A 73 8.033 -6.783 8.944 1.00 0.00 O ATOM 1186 CB LYS A 73 9.625 -8.388 10.574 1.00 0.00 C ATOM 1187 CG LYS A 73 10.485 -7.131 10.630 1.00 0.00 C ATOM 1188 CD LYS A 73 10.209 -6.311 11.882 1.00 0.00 C ATOM 1189 CE LYS A 73 10.968 -6.851 13.085 1.00 0.00 C ATOM 1190 NZ LYS A 73 10.802 -5.982 14.285 1.00 0.00 N ATOM 0 H LYS A 73 10.785 -7.874 8.061 1.00 0.00 H new ATOM 0 HA LYS A 73 8.902 -9.862 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.704 -8.211 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.150 -9.198 11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.538 -7.410 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.295 -6.521 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.493 -5.273 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.140 -6.317 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.616 -7.857 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.027 -6.932 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.335 -6.385 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.161 -5.029 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.794 -5.925 14.536 1.00 0.00 H new ATOM 1204 N SER A 74 7.367 -8.522 7.665 1.00 0.00 N ATOM 1205 CA SER A 74 6.264 -7.796 7.027 1.00 0.00 C ATOM 1206 C SER A 74 6.782 -6.658 6.143 1.00 0.00 C ATOM 1207 O SER A 74 7.992 -6.450 6.029 1.00 0.00 O ATOM 1208 CB SER A 74 5.303 -7.244 8.089 1.00 0.00 C ATOM 1209 OG SER A 74 4.078 -6.824 7.508 1.00 0.00 O ATOM 0 H SER A 74 7.467 -9.488 7.353 1.00 0.00 H new ATOM 0 HA SER A 74 5.727 -8.499 6.391 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.108 -8.010 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.770 -6.405 8.604 1.00 0.00 H new ATOM 0 HG SER A 74 3.979 -7.233 6.623 1.00 0.00 H new ATOM 1215 N LEU A 75 5.859 -5.926 5.514 1.00 0.00 N ATOM 1216 CA LEU A 75 6.224 -4.812 4.640 1.00 0.00 C ATOM 1217 C LEU A 75 5.852 -3.472 5.272 1.00 0.00 C ATOM 1218 O LEU A 75 4.730 -3.290 5.749 1.00 0.00 O ATOM 1219 CB LEU A 75 5.533 -4.953 3.279 1.00 0.00 C ATOM 1220 CG LEU A 75 6.216 -5.911 2.298 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.774 -7.346 2.559 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.914 -5.508 0.860 1.00 0.00 C ATOM 0 H LEU A 75 4.855 -6.086 5.595 1.00 0.00 H new ATOM 0 HA LEU A 75 7.304 -4.839 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.510 -5.293 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.471 -3.968 2.817 1.00 0.00 H new ATOM 0 HG LEU A 75 7.294 -5.851 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.269 -8.013 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.043 -7.630 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.694 -7.422 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.407 -6.200 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.837 -5.538 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.281 -4.497 0.681 1.00 0.00 H new ATOM 1234 N ARG A 76 6.801 -2.535 5.269 1.00 0.00 N ATOM 1235 CA ARG A 76 6.574 -1.210 5.843 1.00 0.00 C ATOM 1236 C ARG A 76 5.968 -0.261 4.808 1.00 0.00 C ATOM 1237 O ARG A 76 6.688 0.451 4.103 1.00 0.00 O ATOM 1238 CB ARG A 76 7.887 -0.635 6.390 1.00 0.00 C ATOM 1239 CG ARG A 76 8.147 -1.003 7.842 1.00 0.00 C ATOM 1240 CD ARG A 76 9.242 -0.144 8.454 1.00 0.00 C ATOM 1241 NE ARG A 76 8.898 0.295 9.806 1.00 0.00 N ATOM 1242 CZ ARG A 76 8.832 -0.521 10.862 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.086 -1.822 10.727 1.00 0.00 N ATOM 1244 NH2 ARG A 76 8.509 -0.035 12.056 1.00 0.00 N ATOM 0 H ARG A 76 7.733 -2.670 4.876 1.00 0.00 H new ATOM 0 HA ARG A 76 5.865 -1.312 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.715 -0.993 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.867 0.451 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.229 -0.885 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.431 -2.054 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.174 -0.709 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.416 0.727 7.822 1.00 0.00 H new ATOM 0 HE ARG A 76 8.696 1.284 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.333 -2.201 9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.034 -2.439 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.312 0.960 12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.458 -0.657 12.863 1.00 0.00 H new ATOM 1258 N ILE A 77 4.636 -0.259 4.721 1.00 0.00 N ATOM 1259 CA ILE A 77 3.924 0.597 3.776 1.00 0.00 C ATOM 1260 C ILE A 77 2.938 1.511 4.503 1.00 0.00 C ATOM 1261 O ILE A 77 2.107 1.047 5.284 1.00 0.00 O ATOM 1262 CB ILE A 77 3.157 -0.235 2.725 1.00 0.00 C ATOM 1263 CG1 ILE A 77 4.056 -1.327 2.136 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.617 0.668 1.622 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.357 -2.206 1.119 1.00 0.00 C ATOM 0 H ILE A 77 4.029 -0.843 5.296 1.00 0.00 H new ATOM 0 HA ILE A 77 4.675 1.202 3.268 1.00 0.00 H new ATOM 0 HB ILE A 77 2.314 -0.719 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.921 -0.859 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.433 -1.952 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.079 0.066 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.940 1.405 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.446 1.180 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.055 -2.956 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.508 -2.703 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.004 -1.593 0.289 1.00 0.00 H new ATOM 1277 N LEU A 78 3.036 2.811 4.238 1.00 0.00 N ATOM 1278 CA LEU A 78 2.156 3.794 4.862 1.00 0.00 C ATOM 1279 C LEU A 78 1.294 4.495 3.814 1.00 0.00 C ATOM 1280 O LEU A 78 1.813 5.180 2.931 1.00 0.00 O ATOM 1281 CB LEU A 78 2.988 4.823 5.632 1.00 0.00 C ATOM 1282 CG LEU A 78 2.188 5.790 6.507 1.00 0.00 C ATOM 1283 CD1 LEU A 78 2.587 5.645 7.969 1.00 0.00 C ATOM 1284 CD2 LEU A 78 2.391 7.222 6.037 1.00 0.00 C ATOM 0 H LEU A 78 3.719 3.209 3.593 1.00 0.00 H new ATOM 0 HA LEU A 78 1.495 3.274 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.699 4.291 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.570 5.404 4.916 1.00 0.00 H new ATOM 0 HG LEU A 78 1.130 5.543 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.007 6.341 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.391 4.625 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.649 5.865 8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.815 7.898 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.448 7.479 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.055 7.317 5.004 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.024 4.326 3.918 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.952 4.951 2.977 1.00 0.00 C ATOM 1298 C LEU A 79 -1.495 6.262 3.542 1.00 0.00 C ATOM 1299 O LEU A 79 -1.992 6.306 4.671 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.106 3.998 2.631 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.968 3.544 3.814 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.239 4.378 3.902 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.306 2.066 3.692 1.00 0.00 C ATOM 0 H LEU A 79 -0.472 3.764 4.642 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.404 5.171 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.751 4.487 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.691 3.114 2.147 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.397 3.691 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.838 4.041 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.977 5.427 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.813 4.264 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.918 1.762 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.856 1.894 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.386 1.482 3.681 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.389 7.332 2.756 1.00 0.00 N ATOM 1316 CA LEU A 80 -1.861 8.648 3.180 1.00 0.00 C ATOM 1317 C LEU A 80 -3.057 9.103 2.350 1.00 0.00 C ATOM 1318 O LEU A 80 -3.161 8.787 1.162 1.00 0.00 O ATOM 1319 CB LEU A 80 -0.730 9.678 3.073 1.00 0.00 C ATOM 1320 CG LEU A 80 0.586 9.270 3.747 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.668 9.026 2.706 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.030 10.334 4.742 1.00 0.00 C ATOM 0 H LEU A 80 -0.980 7.313 1.822 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.179 8.568 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.535 9.873 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.070 10.616 3.513 1.00 0.00 H new ATOM 0 HG LEU A 80 0.419 8.340 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.594 8.738 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.353 8.227 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.833 9.938 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.965 10.027 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.178 11.280 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.265 10.458 5.508 1.00 0.00 H new ATOM 1334 N SER A 81 -3.953 9.857 2.983 1.00 0.00 N ATOM 1335 CA SER A 81 -5.144 10.369 2.311 1.00 0.00 C ATOM 1336 C SER A 81 -4.907 11.785 1.790 1.00 0.00 C ATOM 1337 O SER A 81 -4.167 12.562 2.396 1.00 0.00 O ATOM 1338 CB SER A 81 -6.347 10.351 3.263 1.00 0.00 C ATOM 1339 OG SER A 81 -5.947 10.578 4.604 1.00 0.00 O ATOM 0 H SER A 81 -3.876 10.127 3.963 1.00 0.00 H new ATOM 0 HA SER A 81 -5.358 9.720 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.064 11.115 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.856 9.390 3.191 1.00 0.00 H new ATOM 0 HG SER A 81 -6.734 10.562 5.187 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.543 12.113 0.667 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.403 13.438 0.060 1.00 0.00 C ATOM 1347 C GLN A 82 -6.379 14.452 0.663 1.00 0.00 C ATOM 1348 O GLN A 82 -6.463 15.595 0.204 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.592 13.354 -1.459 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.825 14.417 -2.233 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.321 14.235 -2.145 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -2.756 13.339 -2.771 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.666 15.089 -1.366 1.00 0.00 N ATOM 0 H GLN A 82 -6.161 11.481 0.158 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.394 13.789 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.275 12.369 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.653 13.445 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.130 14.389 -3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.091 15.402 -1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.176 15.817 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.653 15.017 -1.269 1.00 0.00 H new