USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 735 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 6 THR OG1 : rot -139:sc= -0.547 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 19 ASN : amide:sc= -16.4! C(o=-16!,f=-24!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -1.02 (180deg=-1.41) USER MOD Single : A 26 GLN : amide:sc= -0.258 K(o=-0.26,f=-0.93) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.23) USER MOD Single : A 45 THR OG1 : rot -160:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc=-0.00721 (180deg=-0.292) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -0.3 (180deg=-1.48!) USER MOD Single : A 63 GLN : amide:sc= -9.36! C(o=-9.4!,f=-8.6!) USER MOD Single : A 66 SER OG : rot -100:sc= -0.717 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.421 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.31) USER MOD Single : A 84 GLN : amide:sc= 0.108 K(o=0.11,f=-3.4!) USER MOD Single : A 86 ASN : amide:sc= -3.61! K(o=-3.6!,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.694 K(o=-0.69,f=-1.3) USER MOD Single : A 89 SER OG : rot 20:sc= 1.02 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0242 (180deg=-0.334) USER MOD Single : A 95 SER OG : rot 2:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.522 3.589 -8.245 1.00 0.00 N ATOM 36 CA PRO A 3 -10.808 3.115 -7.023 1.00 0.00 C ATOM 37 C PRO A 3 -11.111 3.991 -5.804 1.00 0.00 C ATOM 38 O PRO A 3 -11.337 5.181 -5.915 1.00 0.00 O ATOM 39 CB PRO A 3 -9.314 3.190 -7.400 1.00 0.00 C ATOM 40 CG PRO A 3 -9.281 3.315 -8.890 1.00 0.00 C ATOM 41 CD PRO A 3 -10.584 3.998 -9.297 1.00 0.00 C ATOM 0 HA PRO A 3 -11.121 2.111 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.832 4.044 -6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.781 2.298 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.419 3.900 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.194 2.335 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.474 5.082 -9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.918 3.673 -10.282 1.00 0.00 H new ATOM 49 N GLN A 4 -11.112 3.406 -4.639 1.00 0.00 N ATOM 50 CA GLN A 4 -11.399 4.195 -3.409 1.00 0.00 C ATOM 51 C GLN A 4 -10.097 4.770 -2.860 1.00 0.00 C ATOM 52 O GLN A 4 -9.512 4.258 -1.926 1.00 0.00 O ATOM 53 CB GLN A 4 -12.059 3.286 -2.369 1.00 0.00 C ATOM 54 CG GLN A 4 -13.453 2.891 -2.868 1.00 0.00 C ATOM 55 CD GLN A 4 -14.131 1.964 -1.855 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.150 2.246 -0.673 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.698 0.863 -2.272 1.00 0.00 N ATOM 0 H GLN A 4 -10.926 2.415 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.076 5.017 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.451 2.396 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.133 3.801 -1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.060 3.784 -3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.374 2.392 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.683 0.625 -3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.156 0.241 -1.606 1.00 0.00 H new ATOM 66 N LEU A 5 -9.647 5.845 -3.444 1.00 0.00 N ATOM 67 CA LEU A 5 -8.384 6.482 -2.979 1.00 0.00 C ATOM 68 C LEU A 5 -8.521 6.891 -1.521 1.00 0.00 C ATOM 69 O LEU A 5 -9.499 7.482 -1.111 1.00 0.00 O ATOM 70 CB LEU A 5 -8.096 7.729 -3.838 1.00 0.00 C ATOM 71 CG LEU A 5 -7.293 7.333 -5.086 1.00 0.00 C ATOM 72 CD1 LEU A 5 -5.853 6.934 -4.690 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.982 6.154 -5.792 1.00 0.00 C ATOM 0 H LEU A 5 -10.103 6.312 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.563 5.772 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.033 8.202 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.539 8.462 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.249 8.186 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.294 6.655 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.363 7.777 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.886 6.088 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.410 5.875 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.036 5.304 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.990 6.446 -6.088 1.00 0.00 H new ATOM 85 N THR A 6 -7.525 6.572 -0.740 1.00 0.00 N ATOM 86 CA THR A 6 -7.545 6.925 0.708 1.00 0.00 C ATOM 87 C THR A 6 -6.251 7.652 1.070 1.00 0.00 C ATOM 88 O THR A 6 -5.159 7.200 0.783 1.00 0.00 O ATOM 89 CB THR A 6 -7.681 5.648 1.534 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.901 5.006 1.187 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.695 5.998 3.021 1.00 0.00 C ATOM 0 H THR A 6 -6.689 6.076 -1.048 1.00 0.00 H new ATOM 0 HA THR A 6 -8.390 7.580 0.920 1.00 0.00 H new ATOM 0 HB THR A 6 -6.840 4.985 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.330 4.659 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.792 5.085 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.765 6.502 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.538 6.657 3.232 1.00 0.00 H new ATOM 99 N LYS A 7 -6.386 8.786 1.693 1.00 0.00 N ATOM 100 CA LYS A 7 -5.197 9.589 2.089 1.00 0.00 C ATOM 101 C LYS A 7 -4.751 9.195 3.499 1.00 0.00 C ATOM 102 O LYS A 7 -5.524 8.710 4.303 1.00 0.00 O ATOM 103 CB LYS A 7 -5.564 11.078 2.059 1.00 0.00 C ATOM 104 CG LYS A 7 -5.854 11.496 0.613 1.00 0.00 C ATOM 105 CD LYS A 7 -6.204 12.987 0.562 1.00 0.00 C ATOM 106 CE LYS A 7 -6.484 13.400 -0.886 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.835 14.849 -0.936 1.00 0.00 N ATOM 0 H LYS A 7 -7.283 9.198 1.949 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.380 9.399 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.437 11.263 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.747 11.674 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.985 11.296 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.679 10.906 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.077 13.187 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.382 13.578 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.608 13.206 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.301 12.804 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.025 15.127 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.683 15.021 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.043 15.411 -0.564 1.00 0.00 H new ATOM 121 N ILE A 8 -3.497 9.393 3.789 1.00 0.00 N ATOM 122 CA ILE A 8 -2.954 9.032 5.130 1.00 0.00 C ATOM 123 C ILE A 8 -3.640 9.875 6.209 1.00 0.00 C ATOM 124 O ILE A 8 -4.021 9.380 7.254 1.00 0.00 O ATOM 125 CB ILE A 8 -1.444 9.309 5.151 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.771 8.553 3.999 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.851 8.832 6.481 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.691 8.993 3.868 1.00 0.00 C ATOM 0 H ILE A 8 -2.815 9.795 3.146 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.140 7.976 5.327 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.273 10.380 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.822 7.479 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.302 8.745 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.221 9.030 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.328 9.365 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.024 7.762 6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.162 8.451 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.732 10.064 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.220 8.777 4.796 1.00 0.00 H new ATOM 140 N VAL A 9 -3.796 11.145 5.961 1.00 0.00 N ATOM 141 CA VAL A 9 -4.453 12.038 6.957 1.00 0.00 C ATOM 142 C VAL A 9 -5.917 11.628 7.135 1.00 0.00 C ATOM 143 O VAL A 9 -6.540 11.912 8.141 1.00 0.00 O ATOM 144 CB VAL A 9 -4.374 13.486 6.464 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.209 13.651 5.189 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.904 14.427 7.548 1.00 0.00 C ATOM 0 H VAL A 9 -3.494 11.607 5.103 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.943 11.952 7.917 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.335 13.732 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.148 14.683 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.825 12.987 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.249 13.400 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.847 15.457 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.941 14.177 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.302 14.319 8.450 1.00 0.00 H new ATOM 156 N ASP A 10 -6.470 10.956 6.158 1.00 0.00 N ATOM 157 CA ASP A 10 -7.893 10.517 6.251 1.00 0.00 C ATOM 158 C ASP A 10 -7.983 9.241 7.091 1.00 0.00 C ATOM 159 O ASP A 10 -9.055 8.722 7.340 1.00 0.00 O ATOM 160 CB ASP A 10 -8.433 10.238 4.845 1.00 0.00 C ATOM 161 CG ASP A 10 -8.604 11.558 4.089 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.521 12.596 4.724 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.825 11.508 2.890 1.00 0.00 O ATOM 0 H ASP A 10 -5.994 10.692 5.296 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.484 11.303 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.748 9.584 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.388 9.717 4.908 1.00 0.00 H new ATOM 168 N ILE A 11 -6.863 8.731 7.525 1.00 0.00 N ATOM 169 CA ILE A 11 -6.876 7.486 8.344 1.00 0.00 C ATOM 170 C ILE A 11 -7.097 7.832 9.815 1.00 0.00 C ATOM 171 O ILE A 11 -6.256 8.417 10.467 1.00 0.00 O ATOM 172 CB ILE A 11 -5.539 6.755 8.186 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.387 6.298 6.730 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.506 5.536 9.112 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.978 5.740 6.497 1.00 0.00 C ATOM 0 H ILE A 11 -5.938 9.123 7.348 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.687 6.842 8.002 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.721 7.426 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.131 5.535 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.571 7.135 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.554 5.018 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.620 5.861 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.321 4.860 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.881 5.418 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.241 6.515 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.810 4.890 7.158 1.00 0.00 H new ATOM 187 N VAL A 12 -8.231 7.456 10.334 1.00 0.00 N ATOM 188 CA VAL A 12 -8.553 7.725 11.766 1.00 0.00 C ATOM 189 C VAL A 12 -9.167 6.461 12.374 1.00 0.00 C ATOM 190 O VAL A 12 -9.468 6.410 13.549 1.00 0.00 O ATOM 191 CB VAL A 12 -9.547 8.888 11.861 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.950 10.116 11.171 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.868 8.514 11.177 1.00 0.00 C ATOM 0 H VAL A 12 -8.962 6.965 9.819 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.647 7.993 12.310 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.741 9.107 12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.653 10.947 11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.017 10.391 11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.755 9.886 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.565 9.348 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.683 8.289 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.296 7.639 11.666 1.00 0.00 H new ATOM 203 N GLU A 13 -9.352 5.437 11.574 1.00 0.00 N ATOM 204 CA GLU A 13 -9.944 4.166 12.092 1.00 0.00 C ATOM 205 C GLU A 13 -9.234 2.966 11.464 1.00 0.00 C ATOM 206 O GLU A 13 -8.848 2.987 10.310 1.00 0.00 O ATOM 207 CB GLU A 13 -11.434 4.115 11.749 1.00 0.00 C ATOM 208 CG GLU A 13 -11.625 4.265 10.237 1.00 0.00 C ATOM 209 CD GLU A 13 -13.119 4.242 9.906 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.849 3.548 10.597 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.510 4.922 8.972 1.00 0.00 O ATOM 0 H GLU A 13 -9.117 5.429 10.581 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.819 4.130 13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.862 3.171 12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.964 4.911 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.180 5.199 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.113 3.458 9.713 1.00 0.00 H new ATOM 218 N ASN A 14 -9.063 1.922 12.227 1.00 0.00 N ATOM 219 CA ASN A 14 -8.376 0.700 11.715 1.00 0.00 C ATOM 220 C ASN A 14 -9.392 -0.272 11.109 1.00 0.00 C ATOM 221 O ASN A 14 -10.580 -0.200 11.362 1.00 0.00 O ATOM 222 CB ASN A 14 -7.646 0.009 12.872 1.00 0.00 C ATOM 223 CG ASN A 14 -8.644 -0.393 13.965 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.843 -0.329 13.768 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.192 -0.806 15.119 1.00 0.00 N ATOM 0 H ASN A 14 -9.374 1.862 13.197 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.664 0.993 10.943 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.122 -0.874 12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.892 0.678 13.287 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.844 -1.075 15.856 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.187 -0.859 15.283 1.00 0.00 H new ATOM 232 N GLY A 15 -8.915 -1.178 10.302 1.00 0.00 N ATOM 233 CA GLY A 15 -9.811 -2.174 9.651 1.00 0.00 C ATOM 234 C GLY A 15 -10.501 -1.525 8.454 1.00 0.00 C ATOM 235 O GLY A 15 -11.484 -2.021 7.939 1.00 0.00 O ATOM 0 H GLY A 15 -7.928 -1.272 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.235 -3.041 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.554 -2.532 10.363 1.00 0.00 H new ATOM 239 N GLN A 16 -9.991 -0.405 8.013 1.00 0.00 N ATOM 240 CA GLN A 16 -10.612 0.304 6.858 1.00 0.00 C ATOM 241 C GLN A 16 -10.151 -0.324 5.544 1.00 0.00 C ATOM 242 O GLN A 16 -8.977 -0.557 5.323 1.00 0.00 O ATOM 243 CB GLN A 16 -10.208 1.779 6.889 1.00 0.00 C ATOM 244 CG GLN A 16 -10.939 2.533 5.775 1.00 0.00 C ATOM 245 CD GLN A 16 -10.541 4.009 5.799 1.00 0.00 C ATOM 246 OE1 GLN A 16 -9.389 4.346 5.612 1.00 0.00 O ATOM 247 NE2 GLN A 16 -11.456 4.914 6.020 1.00 0.00 N ATOM 0 H GLN A 16 -9.167 0.050 8.406 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.696 0.218 6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.453 2.214 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.130 1.874 6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.694 2.097 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.017 2.436 5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.424 4.633 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.203 5.902 6.035 1.00 0.00 H new ATOM 256 N TRP A 17 -11.080 -0.588 4.666 1.00 0.00 N ATOM 257 CA TRP A 17 -10.740 -1.197 3.344 1.00 0.00 C ATOM 258 C TRP A 17 -10.862 -0.139 2.250 1.00 0.00 C ATOM 259 O TRP A 17 -11.833 0.589 2.177 1.00 0.00 O ATOM 260 CB TRP A 17 -11.716 -2.338 3.053 1.00 0.00 C ATOM 261 CG TRP A 17 -11.432 -3.474 3.980 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.874 -3.571 5.255 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.656 -4.681 3.722 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.414 -4.759 5.797 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.661 -5.477 4.890 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.956 -5.154 2.597 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.994 -6.701 4.943 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.284 -6.386 2.647 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.303 -7.158 3.818 1.00 0.00 C ATOM 0 H TRP A 17 -12.073 -0.406 4.809 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.720 -1.579 3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.743 -1.996 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.615 -2.664 2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.485 -2.842 5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.608 -5.066 6.750 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.935 -4.567 1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.012 -7.291 5.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.749 -6.741 1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.784 -8.105 3.850 1.00 0.00 H new ATOM 280 N ALA A 18 -9.876 -0.061 1.400 1.00 0.00 N ATOM 281 CA ALA A 18 -9.916 0.942 0.297 1.00 0.00 C ATOM 282 C ALA A 18 -8.645 0.836 -0.553 1.00 0.00 C ATOM 283 O ALA A 18 -7.834 -0.056 -0.384 1.00 0.00 O ATOM 284 CB ALA A 18 -10.015 2.354 0.882 1.00 0.00 C ATOM 0 H ALA A 18 -9.043 -0.649 1.421 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.787 0.744 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.044 3.082 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.924 2.438 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.148 2.548 1.513 1.00 0.00 H new ATOM 290 N ASN A 19 -8.482 1.759 -1.466 1.00 0.00 N ATOM 291 CA ASN A 19 -7.284 1.762 -2.357 1.00 0.00 C ATOM 292 C ASN A 19 -6.264 2.774 -1.845 1.00 0.00 C ATOM 293 O ASN A 19 -6.604 3.755 -1.209 1.00 0.00 O ATOM 294 CB ASN A 19 -7.715 2.148 -3.780 1.00 0.00 C ATOM 295 CG ASN A 19 -6.482 2.441 -4.644 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.189 1.716 -5.575 1.00 0.00 O ATOM 297 ND2 ASN A 19 -5.741 3.481 -4.370 1.00 0.00 N ATOM 0 H ASN A 19 -9.138 2.522 -1.634 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.834 0.769 -2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.296 1.340 -4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.362 3.025 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.918 3.684 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.986 4.090 -3.589 1.00 0.00 H new ATOM 304 N LEU A 20 -5.012 2.535 -2.122 1.00 0.00 N ATOM 305 CA LEU A 20 -3.945 3.468 -1.661 1.00 0.00 C ATOM 306 C LEU A 20 -2.945 3.719 -2.789 1.00 0.00 C ATOM 307 O LEU A 20 -2.431 2.804 -3.404 1.00 0.00 O ATOM 308 CB LEU A 20 -3.212 2.856 -0.464 1.00 0.00 C ATOM 309 CG LEU A 20 -2.292 3.913 0.179 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.077 4.731 1.211 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.115 3.222 0.873 1.00 0.00 C ATOM 0 H LEU A 20 -4.680 1.729 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.403 4.413 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.933 2.493 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.624 1.996 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.918 4.576 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.420 5.476 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.911 5.232 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.459 4.068 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.468 3.973 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.491 2.553 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.547 2.648 0.141 1.00 0.00 H new ATOM 323 N LYS A 21 -2.670 4.968 -3.044 1.00 0.00 N ATOM 324 CA LYS A 21 -1.702 5.349 -4.116 1.00 0.00 C ATOM 325 C LYS A 21 -0.549 6.127 -3.485 1.00 0.00 C ATOM 326 O LYS A 21 -0.755 7.026 -2.692 1.00 0.00 O ATOM 327 CB LYS A 21 -2.410 6.231 -5.141 1.00 0.00 C ATOM 328 CG LYS A 21 -1.499 6.434 -6.353 1.00 0.00 C ATOM 329 CD LYS A 21 -2.146 7.417 -7.338 1.00 0.00 C ATOM 330 CE LYS A 21 -3.262 6.723 -8.126 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.734 7.623 -9.213 1.00 0.00 N ATOM 0 H LYS A 21 -3.082 5.757 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.319 4.456 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.347 5.768 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.662 7.194 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.530 6.815 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.318 5.479 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.551 8.271 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.393 7.803 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.896 5.787 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.089 6.472 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.492 7.153 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.098 8.505 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.943 7.841 -9.852 1.00 0.00 H new ATOM 345 N ALA A 22 0.662 5.780 -3.823 1.00 0.00 N ATOM 346 CA ALA A 22 1.825 6.504 -3.225 1.00 0.00 C ATOM 347 C ALA A 22 3.104 6.212 -4.004 1.00 0.00 C ATOM 348 O ALA A 22 3.115 5.455 -4.957 1.00 0.00 O ATOM 349 CB ALA A 22 2.018 6.064 -1.775 1.00 0.00 C ATOM 0 H ALA A 22 0.898 5.036 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 22 1.618 7.573 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.867 6.595 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.119 6.292 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.206 4.991 -1.742 1.00 0.00 H new ATOM 355 N LYS A 23 4.182 6.824 -3.588 1.00 0.00 N ATOM 356 CA LYS A 23 5.501 6.631 -4.268 1.00 0.00 C ATOM 357 C LYS A 23 6.458 5.884 -3.349 1.00 0.00 C ATOM 358 O LYS A 23 6.457 6.060 -2.146 1.00 0.00 O ATOM 359 CB LYS A 23 6.083 8.001 -4.623 1.00 0.00 C ATOM 360 CG LYS A 23 7.435 7.828 -5.318 1.00 0.00 C ATOM 361 CD LYS A 23 7.954 9.193 -5.775 1.00 0.00 C ATOM 362 CE LYS A 23 9.299 9.017 -6.484 1.00 0.00 C ATOM 363 NZ LYS A 23 10.319 8.548 -5.505 1.00 0.00 N ATOM 0 H LYS A 23 4.206 7.461 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 23 5.361 6.044 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.396 8.540 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.202 8.600 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.149 7.365 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.333 7.161 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.235 9.661 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.067 9.857 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.202 8.298 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.614 9.961 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.263 8.590 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.298 9.158 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.109 7.568 -5.228 1.00 0.00 H new ATOM 377 N VAL A 24 7.264 5.034 -3.920 1.00 0.00 N ATOM 378 CA VAL A 24 8.224 4.237 -3.109 1.00 0.00 C ATOM 379 C VAL A 24 9.504 5.032 -2.861 1.00 0.00 C ATOM 380 O VAL A 24 10.193 5.441 -3.775 1.00 0.00 O ATOM 381 CB VAL A 24 8.560 2.949 -3.864 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.586 2.140 -3.067 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.282 2.123 -4.043 1.00 0.00 C ATOM 0 H VAL A 24 7.299 4.856 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 24 7.770 4.001 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 24 8.977 3.195 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.824 1.223 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.493 2.730 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.172 1.890 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.515 1.204 -4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.868 1.877 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.552 2.700 -4.611 1.00 0.00 H new ATOM 393 N ILE A 25 9.834 5.224 -1.613 1.00 0.00 N ATOM 394 CA ILE A 25 11.077 5.962 -1.248 1.00 0.00 C ATOM 395 C ILE A 25 12.141 4.934 -0.877 1.00 0.00 C ATOM 396 O ILE A 25 13.259 4.981 -1.353 1.00 0.00 O ATOM 397 CB ILE A 25 10.805 6.865 -0.045 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.532 7.683 -0.294 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.988 7.812 0.157 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.621 8.395 -1.651 1.00 0.00 C ATOM 0 H ILE A 25 9.286 4.895 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 25 11.411 6.577 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 25 10.672 6.252 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.660 7.029 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.399 8.416 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.796 8.457 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.893 7.231 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.120 8.424 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.712 8.973 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.482 9.063 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.732 7.655 -2.444 1.00 0.00 H new ATOM 412 N GLN A 26 11.794 3.995 -0.030 1.00 0.00 N ATOM 413 CA GLN A 26 12.775 2.950 0.370 1.00 0.00 C ATOM 414 C GLN A 26 12.042 1.642 0.682 1.00 0.00 C ATOM 415 O GLN A 26 10.946 1.633 1.223 1.00 0.00 O ATOM 416 CB GLN A 26 13.540 3.412 1.612 1.00 0.00 C ATOM 417 CG GLN A 26 14.665 2.422 1.917 1.00 0.00 C ATOM 418 CD GLN A 26 15.725 2.493 0.814 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.064 3.563 0.347 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.259 1.389 0.369 1.00 0.00 N ATOM 0 H GLN A 26 10.872 3.911 0.399 1.00 0.00 H new ATOM 0 HA GLN A 26 13.475 2.785 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.952 4.408 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.863 3.483 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.115 2.653 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.264 1.411 1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.975 0.491 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.961 1.424 -0.370 1.00 0.00 H new ATOM 429 N LEU A 27 12.659 0.542 0.345 1.00 0.00 N ATOM 430 CA LEU A 27 12.048 -0.797 0.600 1.00 0.00 C ATOM 431 C LEU A 27 13.137 -1.777 1.030 1.00 0.00 C ATOM 432 O LEU A 27 14.212 -1.812 0.464 1.00 0.00 O ATOM 433 CB LEU A 27 11.366 -1.318 -0.673 1.00 0.00 C ATOM 434 CG LEU A 27 12.281 -1.117 -1.896 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.724 -1.921 -3.080 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.370 0.384 -2.280 1.00 0.00 C ATOM 0 H LEU A 27 13.575 0.513 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 27 11.302 -0.704 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.129 -2.376 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.422 -0.795 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 27 13.283 -1.466 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.368 -1.783 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.690 -2.979 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.718 -1.573 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.022 0.500 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.375 0.757 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.776 0.950 -1.442 1.00 0.00 H new ATOM 448 N TRP A 28 12.862 -2.567 2.033 1.00 0.00 N ATOM 449 CA TRP A 28 13.865 -3.561 2.527 1.00 0.00 C ATOM 450 C TRP A 28 13.341 -4.978 2.294 1.00 0.00 C ATOM 451 O TRP A 28 12.275 -5.353 2.752 1.00 0.00 O ATOM 452 CB TRP A 28 14.108 -3.332 4.019 1.00 0.00 C ATOM 453 CG TRP A 28 14.410 -1.885 4.251 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.455 -1.213 3.712 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.687 -0.923 5.073 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.420 0.099 4.150 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.349 0.327 4.991 1.00 0.00 C ATOM 458 CE3 TRP A 28 12.535 -1.012 5.871 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.880 1.447 5.680 1.00 0.00 C ATOM 460 CZ3 TRP A 28 12.060 0.113 6.565 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.733 1.340 6.469 1.00 0.00 C ATOM 0 H TRP A 28 11.976 -2.568 2.538 1.00 0.00 H new ATOM 0 HA TRP A 28 14.803 -3.437 1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.230 -3.629 4.593 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.938 -3.949 4.364 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.196 -1.633 3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.101 0.810 3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.010 -1.953 5.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.401 2.390 5.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 11.173 0.033 7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.364 2.202 7.005 1.00 0.00 H new ATOM 472 N GLU A 29 14.097 -5.755 1.571 1.00 0.00 N ATOM 473 CA GLU A 29 13.694 -7.156 1.258 1.00 0.00 C ATOM 474 C GLU A 29 13.579 -7.967 2.545 1.00 0.00 C ATOM 475 O GLU A 29 14.376 -7.835 3.453 1.00 0.00 O ATOM 476 CB GLU A 29 14.758 -7.791 0.353 1.00 0.00 C ATOM 477 CG GLU A 29 14.276 -9.161 -0.127 1.00 0.00 C ATOM 478 CD GLU A 29 13.111 -8.979 -1.103 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.861 -7.850 -1.495 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.491 -9.972 -1.447 1.00 0.00 O ATOM 0 H GLU A 29 14.994 -5.474 1.176 1.00 0.00 H new ATOM 0 HA GLU A 29 12.728 -7.150 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.955 -7.144 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.697 -7.895 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.092 -9.695 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.961 -9.766 0.723 1.00 0.00 H new ATOM 547 N SER A 34 7.481 -15.181 6.507 1.00 0.00 N ATOM 548 CA SER A 34 6.198 -14.589 7.009 1.00 0.00 C ATOM 549 C SER A 34 5.935 -13.256 6.302 1.00 0.00 C ATOM 550 O SER A 34 4.806 -12.904 6.032 1.00 0.00 O ATOM 551 CB SER A 34 6.303 -14.356 8.516 1.00 0.00 C ATOM 552 OG SER A 34 5.055 -13.890 9.008 1.00 0.00 O ATOM 0 HA SER A 34 5.376 -15.275 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.583 -15.281 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.086 -13.628 8.729 1.00 0.00 H new ATOM 0 HG SER A 34 5.119 -13.741 9.975 1.00 0.00 H new ATOM 558 N ILE A 35 6.975 -12.506 6.002 1.00 0.00 N ATOM 559 CA ILE A 35 6.792 -11.186 5.310 1.00 0.00 C ATOM 560 C ILE A 35 7.636 -11.156 4.033 1.00 0.00 C ATOM 561 O ILE A 35 8.838 -11.341 4.063 1.00 0.00 O ATOM 562 CB ILE A 35 7.223 -10.056 6.249 1.00 0.00 C ATOM 563 CG1 ILE A 35 6.276 -10.011 7.454 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.168 -8.723 5.506 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.845 -9.080 8.528 1.00 0.00 C ATOM 0 H ILE A 35 7.943 -12.753 6.207 1.00 0.00 H new ATOM 0 HA ILE A 35 5.743 -11.053 5.046 1.00 0.00 H new ATOM 0 HB ILE A 35 8.242 -10.235 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.292 -9.662 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.144 -11.013 7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.475 -7.920 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.840 -8.757 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.150 -8.540 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.168 -9.052 9.382 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.819 -9.448 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.954 -8.076 8.118 1.00 0.00 H new ATOM 577 N SER A 36 7.007 -10.914 2.915 1.00 0.00 N ATOM 578 CA SER A 36 7.749 -10.858 1.620 1.00 0.00 C ATOM 579 C SER A 36 8.648 -9.622 1.602 1.00 0.00 C ATOM 580 O SER A 36 9.834 -9.700 1.328 1.00 0.00 O ATOM 581 CB SER A 36 6.744 -10.773 0.465 1.00 0.00 C ATOM 582 OG SER A 36 7.386 -11.143 -0.746 1.00 0.00 O ATOM 0 H SER A 36 6.003 -10.751 2.841 1.00 0.00 H new ATOM 0 HA SER A 36 8.360 -11.754 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.897 -11.431 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.349 -9.760 0.386 1.00 0.00 H new ATOM 0 HG SER A 36 6.745 -11.091 -1.485 1.00 0.00 H new ATOM 588 N GLN A 37 8.087 -8.477 1.889 1.00 0.00 N ATOM 589 CA GLN A 37 8.902 -7.230 1.891 1.00 0.00 C ATOM 590 C GLN A 37 8.223 -6.173 2.759 1.00 0.00 C ATOM 591 O GLN A 37 7.019 -6.168 2.932 1.00 0.00 O ATOM 592 CB GLN A 37 9.039 -6.695 0.462 1.00 0.00 C ATOM 593 CG GLN A 37 9.954 -5.468 0.468 1.00 0.00 C ATOM 594 CD GLN A 37 10.188 -4.986 -0.963 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.259 -4.628 -1.658 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.405 -4.959 -1.438 1.00 0.00 N ATOM 0 H GLN A 37 7.102 -8.353 2.121 1.00 0.00 H new ATOM 0 HA GLN A 37 9.891 -7.454 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.450 -7.466 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.059 -6.430 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.504 -4.671 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.906 -5.716 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.187 -5.259 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.573 -4.638 -2.391 1.00 0.00 H new ATOM 605 N VAL A 38 8.997 -5.272 3.300 1.00 0.00 N ATOM 606 CA VAL A 38 8.424 -4.194 4.158 1.00 0.00 C ATOM 607 C VAL A 38 9.189 -2.893 3.910 1.00 0.00 C ATOM 608 O VAL A 38 10.378 -2.894 3.657 1.00 0.00 O ATOM 609 CB VAL A 38 8.530 -4.593 5.634 1.00 0.00 C ATOM 610 CG1 VAL A 38 9.956 -5.042 5.961 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.156 -3.400 6.517 1.00 0.00 C ATOM 0 H VAL A 38 10.010 -5.236 3.184 1.00 0.00 H new ATOM 0 HA VAL A 38 7.373 -4.048 3.909 1.00 0.00 H new ATOM 0 HB VAL A 38 7.845 -5.419 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.017 -5.322 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.219 -5.899 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.649 -4.225 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.232 -3.686 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.836 -2.572 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.134 -3.092 6.298 1.00 0.00 H new ATOM 621 N GLY A 39 8.503 -1.789 3.977 1.00 0.00 N ATOM 622 CA GLY A 39 9.171 -0.478 3.739 1.00 0.00 C ATOM 623 C GLY A 39 8.184 0.658 3.992 1.00 0.00 C ATOM 624 O GLY A 39 7.204 0.498 4.696 1.00 0.00 O ATOM 0 H GLY A 39 7.506 -1.736 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.035 -0.375 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.542 -0.429 2.715 1.00 0.00 H new ATOM 628 N LEU A 40 8.445 1.805 3.422 1.00 0.00 N ATOM 629 CA LEU A 40 7.531 2.975 3.618 1.00 0.00 C ATOM 630 C LEU A 40 7.276 3.681 2.288 1.00 0.00 C ATOM 631 O LEU A 40 8.108 3.690 1.402 1.00 0.00 O ATOM 632 CB LEU A 40 8.164 3.943 4.628 1.00 0.00 C ATOM 633 CG LEU A 40 9.321 4.751 3.972 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.820 6.140 3.550 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.473 4.918 4.975 1.00 0.00 C ATOM 0 H LEU A 40 9.254 1.985 2.827 1.00 0.00 H new ATOM 0 HA LEU A 40 6.573 2.626 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.405 4.628 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.544 3.385 5.484 1.00 0.00 H new ATOM 0 HG LEU A 40 9.672 4.209 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.637 6.698 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.007 6.031 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.460 6.679 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.280 5.484 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.115 5.452 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.842 3.936 5.272 1.00 0.00 H new ATOM 647 N LEU A 41 6.113 4.264 2.157 1.00 0.00 N ATOM 648 CA LEU A 41 5.740 4.979 0.895 1.00 0.00 C ATOM 649 C LEU A 41 5.517 6.461 1.191 1.00 0.00 C ATOM 650 O LEU A 41 4.833 6.833 2.128 1.00 0.00 O ATOM 651 CB LEU A 41 4.449 4.377 0.338 1.00 0.00 C ATOM 652 CG LEU A 41 4.624 2.866 0.151 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.299 2.255 -0.315 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.710 2.590 -0.899 1.00 0.00 C ATOM 0 H LEU A 41 5.394 4.276 2.880 1.00 0.00 H new ATOM 0 HA LEU A 41 6.543 4.872 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.620 4.576 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.199 4.845 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 41 4.922 2.420 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.421 1.180 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.529 2.442 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.003 2.707 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.828 1.514 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.419 3.038 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.654 3.022 -0.568 1.00 0.00 H new ATOM 666 N GLY A 42 6.103 7.303 0.390 1.00 0.00 N ATOM 667 CA GLY A 42 5.966 8.772 0.585 1.00 0.00 C ATOM 668 C GLY A 42 4.640 9.276 0.013 1.00 0.00 C ATOM 669 O GLY A 42 3.994 8.619 -0.788 1.00 0.00 O ATOM 0 H GLY A 42 6.681 7.031 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.022 9.009 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.795 9.286 0.100 1.00 0.00 H new ATOM 673 N ASP A 43 4.246 10.448 0.427 1.00 0.00 N ATOM 674 CA ASP A 43 2.973 11.044 -0.059 1.00 0.00 C ATOM 675 C ASP A 43 2.902 12.506 0.398 1.00 0.00 C ATOM 676 O ASP A 43 3.351 12.859 1.472 1.00 0.00 O ATOM 677 CB ASP A 43 1.793 10.258 0.513 1.00 0.00 C ATOM 678 CG ASP A 43 0.482 10.797 -0.060 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.528 11.793 -0.757 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.548 10.197 0.203 1.00 0.00 O ATOM 0 H ASP A 43 4.761 11.026 1.092 1.00 0.00 H new ATOM 0 HA ASP A 43 2.932 11.002 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.898 9.200 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.785 10.337 1.600 1.00 0.00 H new ATOM 685 N GLU A 44 2.343 13.353 -0.421 1.00 0.00 N ATOM 686 CA GLU A 44 2.231 14.798 -0.068 1.00 0.00 C ATOM 687 C GLU A 44 1.416 14.953 1.217 1.00 0.00 C ATOM 688 O GLU A 44 1.437 15.987 1.858 1.00 0.00 O ATOM 689 CB GLU A 44 1.537 15.550 -1.216 1.00 0.00 C ATOM 690 CG GLU A 44 0.133 14.973 -1.449 1.00 0.00 C ATOM 691 CD GLU A 44 -0.541 15.695 -2.618 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.148 16.006 -3.576 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.737 15.923 -2.536 1.00 0.00 O ATOM 0 H GLU A 44 1.954 13.104 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 44 3.227 15.213 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.468 16.611 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.129 15.466 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.200 13.906 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.469 15.083 -0.547 1.00 0.00 H new ATOM 700 N THR A 45 0.703 13.928 1.599 1.00 0.00 N ATOM 701 CA THR A 45 -0.113 13.999 2.847 1.00 0.00 C ATOM 702 C THR A 45 0.730 13.496 4.018 1.00 0.00 C ATOM 703 O THR A 45 0.344 13.597 5.165 1.00 0.00 O ATOM 704 CB THR A 45 -1.359 13.119 2.692 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.971 11.752 2.654 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.083 13.477 1.393 1.00 0.00 C ATOM 0 H THR A 45 0.650 13.041 1.099 1.00 0.00 H new ATOM 0 HA THR A 45 -0.422 15.028 3.032 1.00 0.00 H new ATOM 0 HB THR A 45 -2.027 13.287 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.687 11.220 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.968 12.850 1.285 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.382 14.525 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.416 13.311 0.547 1.00 0.00 H new ATOM 714 N GLY A 46 1.892 12.962 3.731 1.00 0.00 N ATOM 715 CA GLY A 46 2.784 12.457 4.820 1.00 0.00 C ATOM 716 C GLY A 46 3.427 11.139 4.393 1.00 0.00 C ATOM 717 O GLY A 46 3.600 10.871 3.219 1.00 0.00 O ATOM 0 H GLY A 46 2.262 12.854 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.556 13.194 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.210 12.312 5.735 1.00 0.00 H new ATOM 721 N ILE A 47 3.781 10.319 5.348 1.00 0.00 N ATOM 722 CA ILE A 47 4.420 9.002 5.037 1.00 0.00 C ATOM 723 C ILE A 47 3.667 7.887 5.756 1.00 0.00 C ATOM 724 O ILE A 47 3.125 8.078 6.829 1.00 0.00 O ATOM 725 CB ILE A 47 5.885 9.019 5.501 1.00 0.00 C ATOM 726 CG1 ILE A 47 5.966 9.306 7.010 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.645 10.103 4.733 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.427 9.239 7.469 1.00 0.00 C ATOM 0 H ILE A 47 3.654 10.507 6.342 1.00 0.00 H new ATOM 0 HA ILE A 47 4.384 8.826 3.962 1.00 0.00 H new ATOM 0 HB ILE A 47 6.331 8.044 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.551 10.291 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.368 8.580 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.685 10.119 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.603 9.890 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.189 11.074 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.482 9.443 8.538 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.826 8.245 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.013 9.982 6.928 1.00 0.00 H new ATOM 740 N ILE A 48 3.630 6.723 5.167 1.00 0.00 N ATOM 741 CA ILE A 48 2.914 5.577 5.801 1.00 0.00 C ATOM 742 C ILE A 48 3.694 4.279 5.571 1.00 0.00 C ATOM 743 O ILE A 48 4.210 4.024 4.500 1.00 0.00 O ATOM 744 CB ILE A 48 1.505 5.448 5.204 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.678 4.504 6.081 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.576 4.890 3.776 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.782 4.533 5.630 1.00 0.00 C ATOM 0 H ILE A 48 4.067 6.514 4.269 1.00 0.00 H new ATOM 0 HA ILE A 48 2.835 5.759 6.873 1.00 0.00 H new ATOM 0 HB ILE A 48 1.039 6.433 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.071 3.489 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.752 4.804 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.569 4.805 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.165 5.562 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.045 3.906 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.369 3.861 6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.171 5.547 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.848 4.212 4.590 1.00 0.00 H new ATOM 759 N LYS A 49 3.769 3.463 6.585 1.00 0.00 N ATOM 760 CA LYS A 49 4.501 2.170 6.475 1.00 0.00 C ATOM 761 C LYS A 49 3.594 1.108 5.860 1.00 0.00 C ATOM 762 O LYS A 49 2.381 1.203 5.908 1.00 0.00 O ATOM 763 CB LYS A 49 4.944 1.706 7.866 1.00 0.00 C ATOM 764 CG LYS A 49 6.008 2.662 8.413 1.00 0.00 C ATOM 765 CD LYS A 49 6.481 2.176 9.786 1.00 0.00 C ATOM 766 CE LYS A 49 7.477 3.179 10.374 1.00 0.00 C ATOM 767 NZ LYS A 49 8.712 3.200 9.539 1.00 0.00 N ATOM 0 H LYS A 49 3.349 3.639 7.497 1.00 0.00 H new ATOM 0 HA LYS A 49 5.375 2.314 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.088 1.675 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.344 0.693 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.852 2.715 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.599 3.669 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.628 2.061 10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.949 1.196 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.031 4.173 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.723 2.905 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.476 3.674 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.998 2.225 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.525 3.715 8.655 1.00 0.00 H new ATOM 781 N PHE A 50 4.177 0.095 5.276 1.00 0.00 N ATOM 782 CA PHE A 50 3.356 -0.983 4.654 1.00 0.00 C ATOM 783 C PHE A 50 4.093 -2.322 4.747 1.00 0.00 C ATOM 784 O PHE A 50 5.312 -2.386 4.747 1.00 0.00 O ATOM 785 CB PHE A 50 3.082 -0.644 3.185 1.00 0.00 C ATOM 786 CG PHE A 50 4.341 -0.803 2.359 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.321 0.195 2.366 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.517 -1.948 1.572 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.477 0.046 1.587 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.672 -2.097 0.797 1.00 0.00 C ATOM 791 CZ PHE A 50 6.652 -1.100 0.803 1.00 0.00 C ATOM 0 H PHE A 50 5.186 -0.032 5.203 1.00 0.00 H new ATOM 0 HA PHE A 50 2.409 -1.061 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.300 -1.296 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.714 0.379 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.187 1.080 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.759 -2.718 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.234 0.817 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.807 -2.983 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.543 -1.214 0.203 1.00 0.00 H new ATOM 801 N THR A 51 3.340 -3.385 4.817 1.00 0.00 N ATOM 802 CA THR A 51 3.934 -4.752 4.902 1.00 0.00 C ATOM 803 C THR A 51 3.273 -5.650 3.856 1.00 0.00 C ATOM 804 O THR A 51 2.063 -5.714 3.752 1.00 0.00 O ATOM 805 CB THR A 51 3.690 -5.321 6.301 1.00 0.00 C ATOM 806 OG1 THR A 51 4.317 -4.482 7.263 1.00 0.00 O ATOM 807 CG2 THR A 51 4.278 -6.730 6.394 1.00 0.00 C ATOM 0 H THR A 51 2.320 -3.365 4.819 1.00 0.00 H new ATOM 0 HA THR A 51 5.007 -4.705 4.714 1.00 0.00 H new ATOM 0 HB THR A 51 2.618 -5.365 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.162 -4.842 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.103 -7.132 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.801 -7.373 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.350 -6.690 6.202 1.00 0.00 H new ATOM 815 N ILE A 52 4.067 -6.333 3.078 1.00 0.00 N ATOM 816 CA ILE A 52 3.514 -7.229 2.016 1.00 0.00 C ATOM 817 C ILE A 52 3.599 -8.690 2.460 1.00 0.00 C ATOM 818 O ILE A 52 4.645 -9.191 2.824 1.00 0.00 O ATOM 819 CB ILE A 52 4.312 -7.034 0.727 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.171 -5.577 0.272 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.768 -7.969 -0.352 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.123 -5.297 -0.896 1.00 0.00 C ATOM 0 H ILE A 52 5.085 -6.310 3.131 1.00 0.00 H new ATOM 0 HA ILE A 52 2.468 -6.977 1.842 1.00 0.00 H new ATOM 0 HB ILE A 52 5.364 -7.263 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.143 -5.380 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.393 -4.905 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.336 -7.832 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.862 -9.003 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.718 -7.741 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.016 -4.259 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.150 -5.475 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.881 -5.957 -1.729 1.00 0.00 H new ATOM 834 N TRP A 53 2.484 -9.365 2.428 1.00 0.00 N ATOM 835 CA TRP A 53 2.438 -10.796 2.841 1.00 0.00 C ATOM 836 C TRP A 53 2.783 -11.692 1.651 1.00 0.00 C ATOM 837 O TRP A 53 2.406 -11.433 0.523 1.00 0.00 O ATOM 838 CB TRP A 53 1.029 -11.127 3.345 1.00 0.00 C ATOM 839 CG TRP A 53 0.807 -10.442 4.656 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.177 -9.256 4.821 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.203 -10.883 5.987 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.165 -8.939 6.168 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.785 -9.912 6.928 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.880 -12.021 6.465 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.029 -10.064 8.292 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.126 -12.177 7.838 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.703 -11.201 8.749 1.00 0.00 C ATOM 0 H TRP A 53 1.588 -8.979 2.128 1.00 0.00 H new ATOM 0 HA TRP A 53 3.163 -10.969 3.636 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.284 -10.802 2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.914 -12.205 3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.247 -8.655 4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.251 -8.091 6.553 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.212 -12.779 5.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.700 -9.309 8.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.645 -13.055 8.194 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.897 -11.326 9.804 1.00 0.00 H new ATOM 858 N LYS A 54 3.501 -12.748 1.906 1.00 0.00 N ATOM 859 CA LYS A 54 3.893 -13.686 0.819 1.00 0.00 C ATOM 860 C LYS A 54 2.647 -14.379 0.272 1.00 0.00 C ATOM 861 O LYS A 54 2.678 -15.015 -0.766 1.00 0.00 O ATOM 862 CB LYS A 54 4.847 -14.739 1.385 1.00 0.00 C ATOM 863 CG LYS A 54 6.181 -14.078 1.751 1.00 0.00 C ATOM 864 CD LYS A 54 7.115 -15.103 2.415 1.00 0.00 C ATOM 865 CE LYS A 54 7.815 -15.946 1.343 1.00 0.00 C ATOM 866 NZ LYS A 54 8.570 -15.050 0.423 1.00 0.00 N ATOM 0 H LYS A 54 3.838 -13.005 2.834 1.00 0.00 H new ATOM 0 HA LYS A 54 4.385 -13.134 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.407 -15.207 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.010 -15.529 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.652 -13.672 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.007 -13.241 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.856 -14.589 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.544 -15.749 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.493 -16.659 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.081 -16.525 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.410 -15.548 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.961 -14.779 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.867 -14.196 0.937 1.00 0.00 H new ATOM 919 N LEU A 58 2.743 -11.386 -5.102 1.00 0.00 N ATOM 920 CA LEU A 58 2.770 -10.356 -6.180 1.00 0.00 C ATOM 921 C LEU A 58 4.205 -9.825 -6.354 1.00 0.00 C ATOM 922 O LEU A 58 4.997 -9.852 -5.427 1.00 0.00 O ATOM 923 CB LEU A 58 1.833 -9.201 -5.816 1.00 0.00 C ATOM 924 CG LEU A 58 0.473 -9.766 -5.397 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.418 -8.630 -4.896 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.197 -10.452 -6.597 1.00 0.00 C ATOM 0 HA LEU A 58 2.437 -10.807 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.261 -8.612 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.715 -8.531 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 58 0.617 -10.496 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.386 -9.032 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.054 -8.148 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.558 -7.899 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.164 -10.852 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.339 -9.727 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.437 -11.265 -6.952 1.00 0.00 H new ATOM 938 N PRO A 59 4.539 -9.347 -7.530 1.00 0.00 N ATOM 939 CA PRO A 59 5.901 -8.797 -7.833 1.00 0.00 C ATOM 940 C PRO A 59 6.332 -7.666 -6.887 1.00 0.00 C ATOM 941 O PRO A 59 5.530 -6.892 -6.401 1.00 0.00 O ATOM 942 CB PRO A 59 5.777 -8.271 -9.276 1.00 0.00 C ATOM 943 CG PRO A 59 4.611 -8.996 -9.864 1.00 0.00 C ATOM 944 CD PRO A 59 3.660 -9.282 -8.715 1.00 0.00 C ATOM 0 HA PRO A 59 6.665 -9.564 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.616 -7.193 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.687 -8.464 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.124 -8.392 -10.630 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.931 -9.921 -10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.910 -8.497 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.123 -10.219 -8.865 1.00 0.00 H new ATOM 952 N LEU A 60 7.612 -7.583 -6.630 1.00 0.00 N ATOM 953 CA LEU A 60 8.147 -6.530 -5.719 1.00 0.00 C ATOM 954 C LEU A 60 8.059 -5.155 -6.381 1.00 0.00 C ATOM 955 O LEU A 60 8.237 -5.001 -7.576 1.00 0.00 O ATOM 956 CB LEU A 60 9.612 -6.838 -5.385 1.00 0.00 C ATOM 957 CG LEU A 60 9.727 -8.242 -4.778 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.199 -8.551 -4.489 1.00 0.00 C ATOM 959 CD2 LEU A 60 8.923 -8.311 -3.469 1.00 0.00 C ATOM 0 H LEU A 60 8.317 -8.209 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 60 7.551 -6.522 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.221 -6.772 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.998 -6.097 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 60 9.330 -8.973 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.283 -9.548 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.769 -8.508 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.594 -7.817 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.008 -9.310 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.315 -7.580 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.875 -8.092 -3.674 1.00 0.00 H new ATOM 971 N LEU A 61 7.786 -4.154 -5.590 1.00 0.00 N ATOM 972 CA LEU A 61 7.672 -2.766 -6.119 1.00 0.00 C ATOM 973 C LEU A 61 9.068 -2.190 -6.371 1.00 0.00 C ATOM 974 O LEU A 61 10.021 -2.494 -5.677 1.00 0.00 O ATOM 975 CB LEU A 61 6.934 -1.892 -5.094 1.00 0.00 C ATOM 976 CG LEU A 61 5.425 -2.159 -5.167 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.134 -3.625 -4.832 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.698 -1.256 -4.164 1.00 0.00 C ATOM 0 H LEU A 61 7.635 -4.241 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 61 7.117 -2.781 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.301 -2.105 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.135 -0.839 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 61 5.075 -1.946 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.060 -3.804 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.646 -4.270 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.488 -3.845 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.626 -1.445 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.056 -1.469 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.894 -0.211 -4.406 1.00 0.00 H new ATOM 990 N GLU A 62 9.191 -1.356 -7.367 1.00 0.00 N ATOM 991 CA GLU A 62 10.514 -0.748 -7.692 1.00 0.00 C ATOM 992 C GLU A 62 10.707 0.541 -6.901 1.00 0.00 C ATOM 993 O GLU A 62 9.765 1.182 -6.474 1.00 0.00 O ATOM 994 CB GLU A 62 10.581 -0.430 -9.190 1.00 0.00 C ATOM 995 CG GLU A 62 10.569 -1.731 -9.998 1.00 0.00 C ATOM 996 CD GLU A 62 11.838 -2.537 -9.707 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.806 -1.942 -9.264 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.819 -3.736 -9.932 1.00 0.00 O ATOM 0 H GLU A 62 8.425 -1.067 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 62 11.300 -1.456 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.735 0.195 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.485 0.137 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.688 -2.319 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.506 -1.507 -11.063 1.00 0.00 H new ATOM 1005 N GLN A 63 11.937 0.912 -6.698 1.00 0.00 N ATOM 1006 CA GLN A 63 12.245 2.145 -5.923 1.00 0.00 C ATOM 1007 C GLN A 63 12.168 3.384 -6.818 1.00 0.00 C ATOM 1008 O GLN A 63 12.663 3.406 -7.929 1.00 0.00 O ATOM 1009 CB GLN A 63 13.655 2.033 -5.329 1.00 0.00 C ATOM 1010 CG GLN A 63 13.781 2.961 -4.117 1.00 0.00 C ATOM 1011 CD GLN A 63 13.576 4.411 -4.559 1.00 0.00 C ATOM 1012 OE1 GLN A 63 14.051 4.815 -5.602 1.00 0.00 O ATOM 1013 NE2 GLN A 63 12.875 5.215 -3.808 1.00 0.00 N ATOM 0 H GLN A 63 12.754 0.407 -7.040 1.00 0.00 H new ATOM 0 HA GLN A 63 11.510 2.247 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.854 1.003 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.399 2.298 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.042 2.692 -3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.763 2.845 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.476 4.877 -2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.726 6.182 -4.096 1.00 0.00 H new ATOM 1022 N GLY A 64 11.558 4.417 -6.316 1.00 0.00 N ATOM 1023 CA GLY A 64 11.437 5.686 -7.086 1.00 0.00 C ATOM 1024 C GLY A 64 10.267 5.596 -8.059 1.00 0.00 C ATOM 1025 O GLY A 64 9.999 6.514 -8.806 1.00 0.00 O ATOM 0 H GLY A 64 11.131 4.438 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.289 6.523 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.361 5.879 -7.632 1.00 0.00 H new ATOM 1029 N GLU A 65 9.571 4.488 -8.057 1.00 0.00 N ATOM 1030 CA GLU A 65 8.412 4.316 -8.991 1.00 0.00 C ATOM 1031 C GLU A 65 7.090 4.407 -8.226 1.00 0.00 C ATOM 1032 O GLU A 65 6.982 4.011 -7.076 1.00 0.00 O ATOM 1033 CB GLU A 65 8.513 2.953 -9.678 1.00 0.00 C ATOM 1034 CG GLU A 65 9.735 2.927 -10.601 1.00 0.00 C ATOM 1035 CD GLU A 65 9.543 3.929 -11.743 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.407 4.287 -12.007 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.536 4.322 -12.334 1.00 0.00 O ATOM 0 H GLU A 65 9.754 3.691 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 65 8.439 5.110 -9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.593 2.164 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.608 2.757 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.634 3.173 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.876 1.924 -11.004 1.00 0.00 H new ATOM 1044 N SER A 66 6.090 4.939 -8.874 1.00 0.00 N ATOM 1045 CA SER A 66 4.751 5.083 -8.239 1.00 0.00 C ATOM 1046 C SER A 66 3.944 3.801 -8.427 1.00 0.00 C ATOM 1047 O SER A 66 4.083 3.097 -9.411 1.00 0.00 O ATOM 1048 CB SER A 66 4.008 6.260 -8.879 1.00 0.00 C ATOM 1049 OG SER A 66 4.488 7.471 -8.314 1.00 0.00 O ATOM 0 H SER A 66 6.146 5.285 -9.832 1.00 0.00 H new ATOM 0 HA SER A 66 4.877 5.269 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.162 6.261 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.935 6.165 -8.710 1.00 0.00 H new ATOM 0 HG SER A 66 3.860 7.784 -7.630 1.00 0.00 H new ATOM 1055 N TYR A 67 3.100 3.495 -7.480 1.00 0.00 N ATOM 1056 CA TYR A 67 2.273 2.257 -7.575 1.00 0.00 C ATOM 1057 C TYR A 67 0.865 2.509 -7.042 1.00 0.00 C ATOM 1058 O TYR A 67 0.642 3.327 -6.157 1.00 0.00 O ATOM 1059 CB TYR A 67 2.927 1.145 -6.759 1.00 0.00 C ATOM 1060 CG TYR A 67 4.160 0.658 -7.480 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.024 -0.167 -8.603 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.433 1.023 -7.031 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.158 -0.626 -9.277 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.570 0.563 -7.704 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.432 -0.262 -8.827 1.00 0.00 C ATOM 1066 OH TYR A 67 7.553 -0.715 -9.491 1.00 0.00 O ATOM 0 H TYR A 67 2.946 4.052 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 67 2.206 1.962 -8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.193 1.513 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.226 0.322 -6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.040 -0.449 -8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.538 1.660 -6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.052 -1.261 -10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.554 0.844 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 67 7.704 -0.167 -10.289 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.078 1.783 -7.585 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.499 1.908 -7.156 1.00 0.00 C ATOM 1078 C LEU A 68 -1.920 0.610 -6.471 1.00 0.00 C ATOM 1079 O LEU A 68 -1.872 -0.461 -7.048 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.377 2.165 -8.390 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.860 2.150 -8.001 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.116 3.138 -6.855 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.699 2.554 -9.218 1.00 0.00 C ATOM 0 H LEU A 68 0.083 1.096 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.615 2.739 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.120 3.127 -8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.185 1.404 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.136 1.148 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.172 3.119 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.517 2.854 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.841 4.144 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.756 2.546 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.414 3.555 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.525 1.848 -10.030 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.324 0.712 -5.236 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.749 -0.491 -4.464 1.00 0.00 C ATOM 1097 C LEU A 69 -4.271 -0.546 -4.411 1.00 0.00 C ATOM 1098 O LEU A 69 -4.927 0.403 -4.030 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.190 -0.396 -3.042 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.665 -0.232 -3.105 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.097 -0.107 -1.687 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.040 -1.451 -3.804 1.00 0.00 C ATOM 0 H LEU A 69 -2.379 1.590 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.372 -1.392 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.637 0.450 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.448 -1.292 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.426 0.670 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.986 0.009 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.533 0.763 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.339 -1.004 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.042 -1.331 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.283 -2.355 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.436 -1.533 -4.816 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.830 -1.661 -4.803 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.318 -1.820 -4.798 1.00 0.00 C ATOM 1116 C ARG A 70 -6.707 -3.037 -3.960 1.00 0.00 C ATOM 1117 O ARG A 70 -6.195 -4.130 -4.140 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.811 -2.007 -6.236 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.778 -0.661 -6.961 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.129 -0.848 -8.443 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.534 -1.339 -8.568 1.00 0.00 N ATOM 1122 CZ ARG A 70 -8.993 -1.742 -9.725 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.233 -1.728 -10.785 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.226 -2.164 -9.817 1.00 0.00 N ATOM 0 H ARG A 70 -4.315 -2.478 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.776 -0.930 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.182 -2.729 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.824 -2.408 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.484 0.028 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.788 -0.214 -6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.014 0.096 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.443 -1.559 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.139 -1.360 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.269 -1.400 -10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.602 -2.045 -11.682 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.823 -2.178 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.591 -2.480 -10.715 1.00 0.00 H new ATOM 1138 N SER A 71 -7.620 -2.833 -3.049 1.00 0.00 N ATOM 1139 CA SER A 71 -8.103 -3.929 -2.163 1.00 0.00 C ATOM 1140 C SER A 71 -7.101 -4.186 -1.042 1.00 0.00 C ATOM 1141 O SER A 71 -6.509 -5.247 -0.954 1.00 0.00 O ATOM 1142 CB SER A 71 -8.338 -5.203 -2.978 1.00 0.00 C ATOM 1143 OG SER A 71 -9.341 -5.980 -2.340 1.00 0.00 O ATOM 0 H SER A 71 -8.061 -1.929 -2.879 1.00 0.00 H new ATOM 0 HA SER A 71 -9.049 -3.626 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.646 -4.950 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.413 -5.774 -3.059 1.00 0.00 H new ATOM 0 HG SER A 71 -9.499 -6.798 -2.856 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.922 -3.225 -0.172 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.970 -3.399 0.972 1.00 0.00 C ATOM 1151 C VAL A 72 -6.687 -3.055 2.272 1.00 0.00 C ATOM 1152 O VAL A 72 -7.740 -2.441 2.268 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.757 -2.484 0.791 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.972 -2.927 -0.446 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.204 -1.027 0.609 1.00 0.00 C ATOM 0 H VAL A 72 -7.396 -2.322 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.626 -4.433 1.004 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.129 -2.552 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.106 -2.278 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.637 -3.956 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.613 -2.863 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.328 -0.391 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.840 -0.949 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.762 -0.705 1.488 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.122 -3.457 3.379 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.751 -3.179 4.705 1.00 0.00 C ATOM 1167 C VAL A 73 -5.788 -2.381 5.581 1.00 0.00 C ATOM 1168 O VAL A 73 -4.609 -2.669 5.662 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.101 -4.506 5.389 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.831 -5.325 5.655 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.811 -4.216 6.714 1.00 0.00 C ATOM 0 H VAL A 73 -5.242 -3.972 3.422 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.660 -2.595 4.559 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.755 -5.082 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.098 -6.263 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.329 -5.535 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.162 -4.759 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.063 -5.156 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.153 -3.634 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.723 -3.651 6.522 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.296 -1.367 6.229 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.441 -0.515 7.105 1.00 0.00 C ATOM 1183 C VAL A 74 -5.437 -1.084 8.521 1.00 0.00 C ATOM 1184 O VAL A 74 -6.445 -1.122 9.199 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.990 0.914 7.123 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.963 1.836 7.781 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.244 1.383 5.686 1.00 0.00 C ATOM 0 H VAL A 74 -7.277 -1.090 6.188 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.422 -0.503 6.719 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.924 0.940 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.347 2.856 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.776 1.502 8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.033 1.808 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.635 2.400 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.310 1.360 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.969 0.722 5.210 1.00 0.00 H new ATOM 1197 N GLY A 75 -4.296 -1.534 8.960 1.00 0.00 N ATOM 1198 CA GLY A 75 -4.176 -2.127 10.323 1.00 0.00 C ATOM 1199 C GLY A 75 -3.793 -1.053 11.343 1.00 0.00 C ATOM 1200 O GLY A 75 -3.525 0.087 11.004 1.00 0.00 O ATOM 0 H GLY A 75 -3.428 -1.516 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.121 -2.589 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.424 -2.916 10.318 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.768 -1.425 12.596 1.00 0.00 N ATOM 1205 CA GLU A 76 -3.414 -0.460 13.678 1.00 0.00 C ATOM 1206 C GLU A 76 -1.963 -0.674 14.104 1.00 0.00 C ATOM 1207 O GLU A 76 -1.582 -1.721 14.588 1.00 0.00 O ATOM 1208 CB GLU A 76 -4.340 -0.681 14.880 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.008 0.333 15.977 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.964 0.157 17.157 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.961 -0.526 16.992 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.680 0.706 18.210 1.00 0.00 O ATOM 0 H GLU A 76 -3.981 -2.369 12.919 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.533 0.558 13.308 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.381 -0.574 14.575 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.222 -1.696 15.261 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.979 0.198 16.309 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.086 1.346 15.583 1.00 0.00 H new ATOM 1219 N TYR A 77 -1.154 0.332 13.918 1.00 0.00 N ATOM 1220 CA TYR A 77 0.289 0.241 14.291 1.00 0.00 C ATOM 1221 C TYR A 77 0.529 0.962 15.621 1.00 0.00 C ATOM 1222 O TYR A 77 -0.278 1.748 16.077 1.00 0.00 O ATOM 1223 CB TYR A 77 1.134 0.896 13.197 1.00 0.00 C ATOM 1224 CG TYR A 77 2.573 0.475 13.359 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.416 1.174 14.228 1.00 0.00 C ATOM 1226 CD2 TYR A 77 3.063 -0.619 12.637 1.00 0.00 C ATOM 1227 CE1 TYR A 77 4.750 0.781 14.377 1.00 0.00 C ATOM 1228 CE2 TYR A 77 4.398 -1.014 12.786 1.00 0.00 C ATOM 1229 CZ TYR A 77 5.241 -0.314 13.656 1.00 0.00 C ATOM 1230 OH TYR A 77 6.556 -0.702 13.804 1.00 0.00 O ATOM 0 H TYR A 77 -1.434 1.227 13.517 1.00 0.00 H new ATOM 0 HA TYR A 77 0.570 -0.807 14.397 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.766 0.604 12.213 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.051 1.981 13.259 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.037 2.018 14.785 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.412 -1.158 11.965 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.401 1.322 15.048 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.777 -1.859 12.230 1.00 0.00 H new ATOM 0 HH TYR A 77 6.734 -1.479 13.234 1.00 0.00 H new ATOM 1240 N ASN A 78 1.639 0.679 16.242 1.00 0.00 N ATOM 1241 CA ASN A 78 1.974 1.306 17.556 1.00 0.00 C ATOM 1242 C ASN A 78 1.881 2.833 17.465 1.00 0.00 C ATOM 1243 O ASN A 78 2.738 3.507 16.919 1.00 0.00 O ATOM 1244 CB ASN A 78 3.395 0.884 17.956 1.00 0.00 C ATOM 1245 CG ASN A 78 3.772 1.504 19.303 1.00 0.00 C ATOM 1246 OD1 ASN A 78 4.201 2.639 19.365 1.00 0.00 O ATOM 1247 ND2 ASN A 78 3.635 0.800 20.396 1.00 0.00 N ATOM 0 H ASN A 78 2.342 0.029 15.890 1.00 0.00 H new ATOM 0 HA ASN A 78 1.262 0.970 18.310 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.455 -0.203 18.018 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.105 1.199 17.191 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.888 1.204 21.298 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.275 -0.153 20.347 1.00 0.00 H new ATOM 1254 N ASP A 79 0.823 3.370 18.017 1.00 0.00 N ATOM 1255 CA ASP A 79 0.599 4.845 18.012 1.00 0.00 C ATOM 1256 C ASP A 79 0.581 5.374 16.583 1.00 0.00 C ATOM 1257 O ASP A 79 0.704 6.562 16.346 1.00 0.00 O ATOM 1258 CB ASP A 79 1.701 5.541 18.816 1.00 0.00 C ATOM 1259 CG ASP A 79 1.303 6.996 19.077 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.121 7.291 19.004 1.00 0.00 O ATOM 1261 OD2 ASP A 79 2.187 7.793 19.344 1.00 0.00 O ATOM 0 H ASP A 79 0.089 2.834 18.481 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.366 5.055 18.473 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.860 5.021 19.761 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.643 5.503 18.269 1.00 0.00 H new ATOM 1266 N ARG A 80 0.418 4.505 15.620 1.00 0.00 N ATOM 1267 CA ARG A 80 0.382 4.963 14.194 1.00 0.00 C ATOM 1268 C ARG A 80 -0.527 4.051 13.373 1.00 0.00 C ATOM 1269 O ARG A 80 -1.277 3.255 13.906 1.00 0.00 O ATOM 1270 CB ARG A 80 1.791 4.927 13.597 1.00 0.00 C ATOM 1271 CG ARG A 80 2.636 6.051 14.198 1.00 0.00 C ATOM 1272 CD ARG A 80 4.045 6.007 13.609 1.00 0.00 C ATOM 1273 NE ARG A 80 3.982 6.252 12.137 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.999 7.472 11.663 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.075 8.497 12.465 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.940 7.662 10.371 1.00 0.00 N ATOM 0 H ARG A 80 0.308 3.500 15.756 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.002 5.983 14.167 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.257 3.962 13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.740 5.037 12.514 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.175 7.017 13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.681 5.945 15.282 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.673 6.759 14.086 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.502 5.038 13.807 1.00 0.00 H new ATOM 0 HE ARG A 80 3.925 5.461 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.122 8.353 13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.088 9.443 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.881 6.863 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.953 8.610 9.994 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.457 4.175 12.075 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.304 3.340 11.169 1.00 0.00 C ATOM 1292 C PHE A 81 -0.422 2.661 10.123 1.00 0.00 C ATOM 1293 O PHE A 81 0.622 3.160 9.747 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.323 4.237 10.460 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.368 4.697 11.452 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.445 3.860 11.769 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.260 5.957 12.053 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.415 4.282 12.686 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.231 6.380 12.971 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.307 5.542 13.288 1.00 0.00 C ATOM 0 H PHE A 81 0.161 4.830 11.595 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.823 2.582 11.756 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.821 5.098 10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.797 3.692 9.643 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.527 2.888 11.306 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.429 6.602 11.809 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.246 3.636 12.929 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.149 7.352 13.434 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.054 5.867 13.997 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.844 1.518 9.658 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.050 0.776 8.632 1.00 0.00 C ATOM 1312 C GLN A 82 -1.002 0.059 7.675 1.00 0.00 C ATOM 1313 O GLN A 82 -2.109 -0.293 8.032 1.00 0.00 O ATOM 1314 CB GLN A 82 0.846 -0.255 9.320 1.00 0.00 C ATOM 1315 CG GLN A 82 1.625 -1.038 8.259 1.00 0.00 C ATOM 1316 CD GLN A 82 2.645 -1.958 8.930 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.287 -2.834 9.690 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.915 -1.795 8.674 1.00 0.00 N ATOM 0 H GLN A 82 -1.710 1.061 9.945 1.00 0.00 H new ATOM 0 HA GLN A 82 0.569 1.480 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.536 0.243 10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.242 -0.936 9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.937 -1.626 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.134 -0.347 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.216 -1.059 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.606 -2.404 9.113 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.559 -0.168 6.464 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.407 -0.875 5.453 1.00 0.00 C ATOM 1329 C VAL A 83 -0.778 -2.229 5.135 1.00 0.00 C ATOM 1330 O VAL A 83 0.406 -2.333 4.882 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.514 -0.024 4.183 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.996 1.380 4.559 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.151 0.073 3.488 1.00 0.00 C ATOM 0 H VAL A 83 0.364 0.109 6.128 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.409 -1.030 5.852 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.223 -0.492 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.074 1.991 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.973 1.313 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.285 1.837 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.244 0.681 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.570 0.533 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.191 -0.926 3.218 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.570 -3.268 5.176 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.051 -4.646 4.910 1.00 0.00 C ATOM 1345 C GLN A 84 -1.616 -5.184 3.595 1.00 0.00 C ATOM 1346 O GLN A 84 -2.807 -5.153 3.352 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.472 -5.564 6.060 1.00 0.00 C ATOM 1348 CG GLN A 84 -0.756 -5.121 7.339 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.163 -6.025 8.507 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.164 -7.235 8.383 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.506 -5.485 9.644 1.00 0.00 N ATOM 0 H GLN A 84 -2.567 -3.222 5.385 1.00 0.00 H new ATOM 0 HA GLN A 84 0.036 -4.612 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.552 -5.522 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.221 -6.599 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.324 -5.163 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.007 -4.085 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.505 -4.470 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.775 -6.078 10.429 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.753 -5.681 2.747 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.199 -6.237 1.432 1.00 0.00 C ATOM 1362 C VAL A 85 -1.190 -7.766 1.488 1.00 0.00 C ATOM 1363 O VAL A 85 -0.168 -8.390 1.704 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.247 -5.761 0.328 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.927 -5.934 -1.029 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.082 -4.280 0.544 1.00 0.00 C ATOM 0 H VAL A 85 0.253 -5.726 2.910 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.210 -5.890 1.218 1.00 0.00 H new ATOM 0 HB VAL A 85 0.672 -6.347 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.255 -5.597 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.169 -6.985 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.842 -5.343 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.759 -3.940 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.837 -3.694 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.558 -4.151 1.516 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.333 -8.364 1.299 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.438 -9.853 1.346 1.00 0.00 C ATOM 1378 C ASN A 86 -3.515 -10.331 0.364 1.00 0.00 C ATOM 1379 O ASN A 86 -3.973 -9.594 -0.495 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.806 -10.301 2.762 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.989 -9.477 3.287 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.004 -10.027 3.663 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.900 -8.176 3.333 1.00 0.00 N ATOM 0 H ASN A 86 -3.211 -7.880 1.111 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.477 -10.285 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.063 -11.360 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.948 -10.182 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.682 -7.623 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.048 -7.712 3.018 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.898 -11.575 0.490 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.935 -12.165 -0.406 1.00 0.00 C ATOM 1392 C LYS A 87 -4.488 -12.090 -1.864 1.00 0.00 C ATOM 1393 O LYS A 87 -3.881 -13.002 -2.388 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.258 -11.415 -0.241 1.00 0.00 C ATOM 1395 CG LYS A 87 -7.336 -12.091 -1.099 1.00 0.00 C ATOM 1396 CD LYS A 87 -8.660 -11.330 -0.974 1.00 0.00 C ATOM 1397 CE LYS A 87 -9.336 -11.666 0.360 1.00 0.00 C ATOM 1398 NZ LYS A 87 -10.724 -11.134 0.359 1.00 0.00 N ATOM 0 H LYS A 87 -3.528 -12.218 1.190 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.072 -13.211 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.559 -11.413 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.139 -10.374 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.019 -12.117 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.470 -13.125 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.479 -10.257 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.319 -11.593 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.349 -12.745 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.770 -11.235 1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.184 -11.361 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.700 -10.102 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.261 -11.566 -0.420 1.00 0.00 H new ATOM 1412 N ASN A 88 -4.804 -11.012 -2.527 1.00 0.00 N ATOM 1413 CA ASN A 88 -4.423 -10.866 -3.954 1.00 0.00 C ATOM 1414 C ASN A 88 -4.696 -9.423 -4.391 1.00 0.00 C ATOM 1415 O ASN A 88 -5.269 -9.169 -5.433 1.00 0.00 O ATOM 1416 CB ASN A 88 -5.251 -11.846 -4.794 1.00 0.00 C ATOM 1417 CG ASN A 88 -4.818 -11.766 -6.258 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -5.490 -11.167 -7.071 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -3.711 -12.350 -6.629 1.00 0.00 N ATOM 0 H ASN A 88 -5.314 -10.221 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.365 -11.088 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.118 -12.862 -4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.311 -11.610 -4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.411 -12.303 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.146 -12.854 -5.945 1.00 0.00 H new ATOM 1426 N SER A 89 -4.280 -8.475 -3.589 1.00 0.00 N ATOM 1427 CA SER A 89 -4.499 -7.034 -3.928 1.00 0.00 C ATOM 1428 C SER A 89 -3.905 -6.732 -5.304 1.00 0.00 C ATOM 1429 O SER A 89 -2.815 -7.154 -5.637 1.00 0.00 O ATOM 1430 CB SER A 89 -3.814 -6.160 -2.877 1.00 0.00 C ATOM 1431 OG SER A 89 -4.073 -4.792 -3.153 1.00 0.00 O ATOM 0 H SER A 89 -3.794 -8.638 -2.707 1.00 0.00 H new ATOM 0 HA SER A 89 -5.568 -6.823 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.179 -6.416 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.740 -6.345 -2.880 1.00 0.00 H new ATOM 0 HG SER A 89 -4.863 -4.718 -3.729 1.00 0.00 H new ATOM 1437 N SER A 90 -4.630 -6.004 -6.107 1.00 0.00 N ATOM 1438 CA SER A 90 -4.141 -5.670 -7.475 1.00 0.00 C ATOM 1439 C SER A 90 -3.138 -4.522 -7.414 1.00 0.00 C ATOM 1440 O SER A 90 -3.293 -3.579 -6.661 1.00 0.00 O ATOM 1441 CB SER A 90 -5.331 -5.269 -8.355 1.00 0.00 C ATOM 1442 OG SER A 90 -4.901 -4.353 -9.352 1.00 0.00 O ATOM 0 H SER A 90 -5.547 -5.623 -5.873 1.00 0.00 H new ATOM 0 HA SER A 90 -3.647 -6.544 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.765 -6.153 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.112 -4.816 -7.744 1.00 0.00 H new ATOM 0 HG SER A 90 -5.663 -4.100 -9.914 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.108 -4.604 -8.212 1.00 0.00 N ATOM 1449 CA ILE A 91 -1.064 -3.534 -8.236 1.00 0.00 C ATOM 1450 C ILE A 91 -0.835 -3.074 -9.675 1.00 0.00 C ATOM 1451 O ILE A 91 -0.646 -3.875 -10.570 1.00 0.00 O ATOM 1452 CB ILE A 91 0.245 -4.085 -7.670 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.040 -4.452 -6.196 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.334 -3.019 -7.787 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.264 -5.211 -5.677 1.00 0.00 C ATOM 0 H ILE A 91 -1.942 -5.376 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.399 -2.691 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 91 0.546 -4.972 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.117 -3.550 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.854 -5.066 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.269 -3.408 -7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.473 -2.754 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.038 -2.133 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.114 -5.470 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.401 -6.122 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.149 -4.582 -5.772 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.852 -1.784 -9.893 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.632 -1.239 -11.268 1.00 0.00 C ATOM 1469 C GLU A 92 0.475 -0.185 -11.221 1.00 0.00 C ATOM 1470 O GLU A 92 0.475 0.709 -10.396 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.929 -0.609 -11.779 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.758 -0.210 -13.245 1.00 0.00 C ATOM 1473 CD GLU A 92 -1.655 -1.462 -14.124 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.853 -2.550 -13.608 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -1.377 -1.311 -15.303 1.00 0.00 O ATOM 0 H GLU A 92 -1.010 -1.079 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.336 -2.044 -11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.754 -1.314 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.182 0.266 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.603 0.400 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.862 0.400 -13.362 1.00 0.00 H new ATOM 1482 N LYS A 93 1.422 -0.305 -12.106 1.00 0.00 N ATOM 1483 CA LYS A 93 2.560 0.656 -12.147 1.00 0.00 C ATOM 1484 C LYS A 93 2.156 1.928 -12.886 1.00 0.00 C ATOM 1485 O LYS A 93 1.589 1.893 -13.961 1.00 0.00 O ATOM 1486 CB LYS A 93 3.743 0.001 -12.866 1.00 0.00 C ATOM 1487 CG LYS A 93 4.937 0.955 -12.850 1.00 0.00 C ATOM 1488 CD LYS A 93 6.156 0.262 -13.460 1.00 0.00 C ATOM 1489 CE LYS A 93 7.357 1.208 -13.413 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.123 2.354 -14.338 1.00 0.00 N ATOM 0 H LYS A 93 1.457 -1.039 -12.814 1.00 0.00 H new ATOM 0 HA LYS A 93 2.842 0.919 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.006 -0.937 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.470 -0.241 -13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.701 1.859 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.155 1.263 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.379 -0.654 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.946 -0.026 -14.490 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.507 1.572 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.264 0.676 -13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.027 2.824 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.705 2.005 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.473 3.033 -13.892 1.00 0.00 H new ATOM 1504 N LEU A 94 2.456 3.056 -12.302 1.00 0.00 N ATOM 1505 CA LEU A 94 2.107 4.362 -12.934 1.00 0.00 C ATOM 1506 C LEU A 94 3.361 4.982 -13.554 1.00 0.00 C ATOM 1507 O LEU A 94 4.401 5.077 -12.932 1.00 0.00 O ATOM 1508 CB LEU A 94 1.545 5.303 -11.864 1.00 0.00 C ATOM 1509 CG LEU A 94 0.370 4.620 -11.151 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.201 5.559 -10.085 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.726 4.270 -12.171 1.00 0.00 C ATOM 0 H LEU A 94 2.933 3.130 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 94 1.361 4.205 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.323 5.559 -11.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.215 6.236 -12.321 1.00 0.00 H new ATOM 0 HG LEU A 94 0.723 3.705 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.035 5.072 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.574 5.797 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.549 6.477 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.558 3.785 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.078 5.182 -12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.320 3.595 -12.924 1.00 0.00 H new ATOM 1523 N SER A 95 3.255 5.407 -14.781 1.00 0.00 N ATOM 1524 CA SER A 95 4.414 6.030 -15.473 1.00 0.00 C ATOM 1525 C SER A 95 4.492 7.510 -15.092 1.00 0.00 C ATOM 1526 O SER A 95 5.292 8.255 -15.622 1.00 0.00 O ATOM 1527 CB SER A 95 4.234 5.896 -16.987 1.00 0.00 C ATOM 1528 OG SER A 95 5.119 6.785 -17.650 1.00 0.00 O ATOM 0 H SER A 95 2.404 5.348 -15.340 1.00 0.00 H new ATOM 0 HA SER A 95 5.335 5.529 -15.174 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.432 4.870 -17.298 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.203 6.119 -17.262 1.00 0.00 H new ATOM 0 HG SER A 95 5.668 7.255 -16.988 1.00 0.00 H new ATOM 1534 N GLU A 96 3.664 7.933 -14.167 1.00 0.00 N ATOM 1535 CA GLU A 96 3.676 9.363 -13.716 1.00 0.00 C ATOM 1536 C GLU A 96 4.035 9.413 -12.222 1.00 0.00 C ATOM 1537 O GLU A 96 3.168 9.354 -11.370 1.00 0.00 O ATOM 1538 CB GLU A 96 2.291 9.978 -13.922 1.00 0.00 C ATOM 1539 CG GLU A 96 1.797 9.672 -15.341 1.00 0.00 C ATOM 1540 CD GLU A 96 2.852 10.104 -16.363 1.00 0.00 C ATOM 1541 OE1 GLU A 96 3.181 11.280 -16.387 1.00 0.00 O ATOM 1542 OE2 GLU A 96 3.317 9.254 -17.103 1.00 0.00 O ATOM 0 H GLU A 96 2.974 7.344 -13.701 1.00 0.00 H new ATOM 0 HA GLU A 96 4.410 9.923 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.591 9.577 -13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.334 11.056 -13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.594 8.606 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.859 10.195 -15.530 1.00 0.00 H new ATOM 1549 N PRO A 97 5.305 9.522 -11.909 1.00 0.00 N ATOM 1550 CA PRO A 97 5.790 9.587 -10.497 1.00 0.00 C ATOM 1551 C PRO A 97 5.143 10.730 -9.706 1.00 0.00 C ATOM 1552 O PRO A 97 4.819 11.771 -10.242 1.00 0.00 O ATOM 1553 CB PRO A 97 7.308 9.810 -10.634 1.00 0.00 C ATOM 1554 CG PRO A 97 7.655 9.328 -12.007 1.00 0.00 C ATOM 1555 CD PRO A 97 6.418 9.573 -12.867 1.00 0.00 C ATOM 0 HA PRO A 97 5.535 8.683 -9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.564 10.862 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.857 9.257 -9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.517 9.865 -12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.917 8.270 -11.994 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.467 10.538 -13.371 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.313 8.813 -13.642 1.00 0.00 H new ATOM 1563 N ILE A 98 4.952 10.525 -8.430 1.00 0.00 N ATOM 1564 CA ILE A 98 4.318 11.573 -7.574 1.00 0.00 C ATOM 1565 C ILE A 98 5.391 12.344 -6.809 1.00 0.00 C ATOM 1566 O ILE A 98 6.230 11.779 -6.135 1.00 0.00 O ATOM 1567 CB ILE A 98 3.368 10.902 -6.583 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.261 10.183 -7.360 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.750 11.959 -5.668 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.455 9.294 -6.410 1.00 0.00 C ATOM 0 H ILE A 98 5.210 9.669 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 98 3.765 12.268 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 98 3.918 10.182 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.605 10.912 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.696 9.579 -8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.073 11.478 -4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.540 12.473 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.196 12.681 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.669 8.785 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.115 8.555 -5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.007 9.908 -5.629 1.00 0.00 H new