USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.297 K(o=0.3,f=-0.79) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.16! C(o=-5.2!,f=-2.2!) USER MOD Single : A 40 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.197 K(o=-0.2,f=-4.1!) USER MOD Single : A 47 SER OG : rot 170:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= -0.124 (180deg=-0.784) USER MOD Single : A 60 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0401 (180deg=-0.412) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.615 K(o=-0.61,f=-6.6!) USER MOD Single : A 74 MET CE :methyl 154:sc= -0.147 (180deg=-1.68) USER MOD Single : A 76 SER OG : rot -7:sc= 0.74 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 -0.666 4.617 3.336 1.00 1.00 N ATOM 142 CA ILE A 9 -0.036 3.963 2.201 1.00 1.00 C ATOM 143 C ILE A 9 0.045 4.936 1.042 1.00 1.00 C ATOM 144 O ILE A 9 -0.823 5.779 0.815 1.00 1.00 O ATOM 145 CB ILE A 9 -0.812 2.678 1.802 1.00 1.00 C ATOM 146 CG1 ILE A 9 -1.121 1.826 3.083 1.00 1.00 C ATOM 147 CG2 ILE A 9 0.000 1.854 0.771 1.00 1.00 C ATOM 148 CD1 ILE A 9 0.144 1.494 3.912 1.00 1.00 C ATOM 0 HA ILE A 9 0.974 3.659 2.477 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.756 2.961 1.336 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -1.828 2.369 3.711 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -1.607 0.897 2.785 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -0.558 0.957 0.502 1.00 1.00 H new ATOM 0 HG22 ILE A 9 0.172 2.456 -0.121 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.958 1.569 1.206 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -0.137 0.903 4.784 1.00 1.00 H new ATOM 0 HD12 ILE A 9 0.842 0.925 3.298 1.00 1.00 H new ATOM 0 HD13 ILE A 9 0.618 2.419 4.238 1.00 1.00 H new ATOM 160 N VAL A 10 1.123 4.803 0.275 1.00 1.00 N ATOM 161 CA VAL A 10 1.352 5.681 -0.891 1.00 1.00 C ATOM 162 C VAL A 10 1.158 4.892 -2.164 1.00 1.00 C ATOM 163 O VAL A 10 1.557 3.733 -2.276 1.00 1.00 O ATOM 164 CB VAL A 10 2.783 6.279 -0.844 1.00 1.00 C ATOM 165 CG1 VAL A 10 2.951 7.350 -1.963 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.029 6.913 0.547 1.00 1.00 C ATOM 0 H VAL A 10 1.851 4.106 0.429 1.00 1.00 H new ATOM 0 HA VAL A 10 0.635 6.502 -0.865 1.00 1.00 H new ATOM 0 HB VAL A 10 3.513 5.487 -1.011 1.00 1.00 H new ATOM 0 HG11 VAL A 10 3.958 7.764 -1.922 1.00 1.00 H new ATOM 0 HG12 VAL A 10 2.788 6.888 -2.937 1.00 1.00 H new ATOM 0 HG13 VAL A 10 2.224 8.149 -1.814 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.034 7.334 0.582 1.00 1.00 H new ATOM 0 HG22 VAL A 10 2.298 7.703 0.721 1.00 1.00 H new ATOM 0 HG23 VAL A 10 2.928 6.149 1.318 1.00 1.00 H new ATOM 176 N LEU A 11 0.551 5.523 -3.163 1.00 1.00 N ATOM 177 CA LEU A 11 0.317 4.860 -4.448 1.00 1.00 C ATOM 178 C LEU A 11 1.321 5.356 -5.494 1.00 1.00 C ATOM 179 O LEU A 11 1.394 6.548 -5.794 1.00 1.00 O ATOM 180 CB LEU A 11 -1.132 5.120 -4.930 1.00 1.00 C ATOM 181 CG LEU A 11 -1.691 3.873 -5.684 1.00 1.00 C ATOM 182 CD1 LEU A 11 -3.067 4.202 -6.259 1.00 1.00 C ATOM 183 CD2 LEU A 11 -0.734 3.403 -6.828 1.00 1.00 C ATOM 0 H LEU A 11 0.213 6.484 -3.113 1.00 1.00 H new ATOM 0 HA LEU A 11 0.454 3.787 -4.316 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.769 5.352 -4.076 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -1.152 5.989 -5.588 1.00 1.00 H new ATOM 0 HG LEU A 11 -1.770 3.055 -4.968 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -3.459 3.332 -6.786 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -3.745 4.471 -5.449 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.981 5.038 -6.953 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -1.162 2.533 -7.326 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -0.607 4.209 -7.551 1.00 1.00 H new ATOM 0 HD23 LEU A 11 0.236 3.139 -6.406 1.00 1.00 H new ATOM 195 N ARG A 12 2.095 4.434 -6.058 1.00 1.00 N ATOM 196 CA ARG A 12 3.101 4.771 -7.087 1.00 1.00 C ATOM 197 C ARG A 12 2.602 4.329 -8.450 1.00 1.00 C ATOM 198 O ARG A 12 1.786 3.417 -8.590 1.00 1.00 O ATOM 199 CB ARG A 12 4.435 4.071 -6.779 1.00 1.00 C ATOM 200 CG ARG A 12 5.551 4.515 -7.780 1.00 1.00 C ATOM 201 CD ARG A 12 6.902 3.941 -7.342 1.00 1.00 C ATOM 202 NE ARG A 12 7.250 4.500 -6.040 1.00 1.00 N ATOM 203 CZ ARG A 12 8.364 4.155 -5.398 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.185 3.284 -5.926 1.00 1.00 N ATOM 205 NH2 ARG A 12 8.631 4.687 -4.240 1.00 1.00 N ATOM 0 H ARG A 12 2.052 3.442 -5.826 1.00 1.00 H new ATOM 0 HA ARG A 12 3.258 5.850 -7.085 1.00 1.00 H new ATOM 0 HB2 ARG A 12 4.744 4.303 -5.760 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.303 2.990 -6.834 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.308 4.170 -8.785 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.604 5.603 -7.820 1.00 1.00 H new ATOM 0 HD2 ARG A 12 6.849 2.854 -7.284 1.00 1.00 H new ATOM 0 HD3 ARG A 12 7.671 4.184 -8.075 1.00 1.00 H new ATOM 0 HE ARG A 12 6.620 5.176 -5.608 1.00 1.00 H new ATOM 0 HH11 ARG A 12 8.972 2.867 -6.832 1.00 1.00 H new ATOM 0 HH12 ARG A 12 10.038 3.022 -5.431 1.00 1.00 H new ATOM 0 HH21 ARG A 12 7.988 5.364 -3.829 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.483 4.427 -3.743 1.00 1.00 H new ATOM 219 N ASN A 13 3.098 5.002 -9.483 1.00 1.00 N ATOM 220 CA ASN A 13 2.725 4.693 -10.848 1.00 1.00 C ATOM 221 C ASN A 13 1.224 4.842 -11.033 1.00 1.00 C ATOM 222 O ASN A 13 0.560 3.989 -11.621 1.00 1.00 O ATOM 223 CB ASN A 13 3.179 3.259 -11.240 1.00 1.00 C ATOM 224 CG ASN A 13 3.224 3.093 -12.767 1.00 1.00 C ATOM 225 OD1 ASN A 13 4.307 3.052 -13.353 1.00 1.00 O ATOM 226 ND2 ASN A 13 2.109 2.981 -13.442 1.00 1.00 N ATOM 0 H ASN A 13 3.764 5.770 -9.394 1.00 1.00 H new ATOM 0 HA ASN A 13 3.232 5.400 -11.505 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.164 3.058 -10.820 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.494 2.527 -10.811 1.00 1.00 H new ATOM 0 HD21 ASN A 13 2.136 2.860 -14.454 1.00 1.00 H new ATOM 0 HD22 ASN A 13 1.213 3.015 -12.956 1.00 1.00 H new ATOM 233 N LEU A 14 0.688 5.948 -10.533 1.00 1.00 N ATOM 234 CA LEU A 14 -0.764 6.231 -10.657 1.00 1.00 C ATOM 235 C LEU A 14 -1.070 7.097 -11.927 1.00 1.00 C ATOM 236 O LEU A 14 -0.970 8.319 -11.833 1.00 1.00 O ATOM 237 CB LEU A 14 -1.259 6.980 -9.384 1.00 1.00 C ATOM 238 CG LEU A 14 -2.766 7.422 -9.514 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.698 6.227 -9.917 1.00 1.00 C ATOM 240 CD2 LEU A 14 -3.219 8.075 -8.191 1.00 1.00 C ATOM 0 H LEU A 14 1.218 6.667 -10.040 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.288 5.281 -10.759 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -1.144 6.334 -8.514 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.636 7.858 -9.214 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.847 8.152 -10.319 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.727 6.578 -9.995 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.378 5.824 -10.878 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.638 5.447 -9.158 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -4.261 8.383 -8.275 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -3.117 7.357 -7.377 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -2.599 8.947 -7.985 1.00 1.00 H new ATOM 252 N PRO A 15 -1.482 6.520 -13.022 1.00 1.00 N ATOM 253 CA PRO A 15 -1.860 7.342 -14.226 1.00 1.00 C ATOM 254 C PRO A 15 -2.968 8.364 -13.876 1.00 1.00 C ATOM 255 O PRO A 15 -4.041 8.005 -13.391 1.00 1.00 O ATOM 256 CB PRO A 15 -2.386 6.289 -15.254 1.00 1.00 C ATOM 257 CG PRO A 15 -1.730 5.007 -14.843 1.00 1.00 C ATOM 258 CD PRO A 15 -1.667 5.081 -13.305 1.00 1.00 C ATOM 0 HA PRO A 15 -1.023 7.926 -14.610 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.472 6.208 -15.219 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.119 6.563 -16.275 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.305 4.143 -15.175 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -0.734 4.914 -15.277 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.581 4.699 -12.850 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -0.842 4.488 -12.911 1.00 1.00 H new ATOM 266 N GLU A 16 -2.728 9.643 -14.148 1.00 1.00 N ATOM 267 CA GLU A 16 -3.716 10.714 -13.873 1.00 1.00 C ATOM 268 C GLU A 16 -5.117 10.334 -14.364 1.00 1.00 C ATOM 269 O GLU A 16 -6.104 10.439 -13.638 1.00 1.00 O ATOM 270 CB GLU A 16 -3.252 12.023 -14.566 1.00 1.00 C ATOM 271 CG GLU A 16 -3.023 11.800 -16.098 1.00 1.00 C ATOM 272 CD GLU A 16 -2.350 13.020 -16.730 1.00 1.00 C ATOM 273 OE1 GLU A 16 -1.146 13.138 -16.594 1.00 1.00 O ATOM 274 OE2 GLU A 16 -3.050 13.815 -17.340 1.00 1.00 O ATOM 0 H GLU A 16 -1.857 9.977 -14.561 1.00 1.00 H new ATOM 0 HA GLU A 16 -3.774 10.858 -12.794 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -4.000 12.802 -14.417 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -2.329 12.375 -14.105 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.404 10.916 -16.253 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.977 11.610 -16.589 1.00 1.00 H new ATOM 281 N ASP A 17 -5.199 9.884 -15.612 1.00 1.00 N ATOM 282 CA ASP A 17 -6.487 9.486 -16.247 1.00 1.00 C ATOM 283 C ASP A 17 -7.392 8.705 -15.281 1.00 1.00 C ATOM 284 O ASP A 17 -8.611 8.635 -15.442 1.00 1.00 O ATOM 285 CB ASP A 17 -6.210 8.635 -17.504 1.00 1.00 C ATOM 286 CG ASP A 17 -7.520 8.297 -18.238 1.00 1.00 C ATOM 287 OD1 ASP A 17 -8.177 9.219 -18.689 1.00 1.00 O ATOM 288 OD2 ASP A 17 -7.847 7.121 -18.326 1.00 1.00 O ATOM 0 H ASP A 17 -4.389 9.779 -16.223 1.00 1.00 H new ATOM 0 HA ASP A 17 -7.012 10.400 -16.524 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.542 9.176 -18.174 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -5.700 7.715 -17.220 1.00 1.00 H new ATOM 293 N LEU A 18 -6.781 8.128 -14.253 1.00 1.00 N ATOM 294 CA LEU A 18 -7.492 7.355 -13.219 1.00 1.00 C ATOM 295 C LEU A 18 -7.327 8.047 -11.876 1.00 1.00 C ATOM 296 O LEU A 18 -6.297 8.653 -11.572 1.00 1.00 O ATOM 297 CB LEU A 18 -6.915 5.922 -13.158 1.00 1.00 C ATOM 298 CG LEU A 18 -6.916 5.270 -14.576 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.309 3.842 -14.513 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.357 5.227 -15.190 1.00 1.00 C ATOM 0 H LEU A 18 -5.773 8.178 -14.105 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.553 7.297 -13.463 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.899 5.950 -12.765 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.506 5.315 -12.472 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.299 5.889 -15.227 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.316 3.399 -15.509 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.283 3.898 -14.148 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.901 3.225 -13.837 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.318 4.767 -16.177 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.011 4.643 -14.543 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.745 6.242 -15.278 1.00 1.00 H new ATOM 312 N VAL A 19 -8.357 7.953 -11.043 1.00 1.00 N ATOM 313 CA VAL A 19 -8.329 8.593 -9.708 1.00 1.00 C ATOM 314 C VAL A 19 -8.996 7.708 -8.685 1.00 1.00 C ATOM 315 O VAL A 19 -9.882 6.908 -8.993 1.00 1.00 O ATOM 316 CB VAL A 19 -9.025 9.976 -9.765 1.00 1.00 C ATOM 317 CG1 VAL A 19 -8.254 10.916 -10.734 1.00 1.00 C ATOM 318 CG2 VAL A 19 -10.497 9.817 -10.237 1.00 1.00 C ATOM 0 H VAL A 19 -9.218 7.449 -11.253 1.00 1.00 H new ATOM 0 HA VAL A 19 -7.290 8.737 -9.411 1.00 1.00 H new ATOM 0 HB VAL A 19 -9.023 10.414 -8.767 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -8.749 11.887 -10.770 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -7.231 11.043 -10.381 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -8.241 10.478 -11.732 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.975 10.796 -10.273 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -10.514 9.368 -11.230 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -11.035 9.175 -9.539 1.00 1.00 H new ATOM 328 N LEU A 20 -8.568 7.858 -7.438 1.00 1.00 N ATOM 329 CA LEU A 20 -9.104 7.068 -6.329 1.00 1.00 C ATOM 330 C LEU A 20 -10.173 7.883 -5.604 1.00 1.00 C ATOM 331 O LEU A 20 -9.990 9.074 -5.359 1.00 1.00 O ATOM 332 CB LEU A 20 -7.927 6.674 -5.360 1.00 1.00 C ATOM 333 CG LEU A 20 -8.009 5.177 -4.923 1.00 1.00 C ATOM 334 CD1 LEU A 20 -6.813 4.834 -4.006 1.00 1.00 C ATOM 335 CD2 LEU A 20 -9.358 4.876 -4.200 1.00 1.00 C ATOM 0 H LEU A 20 -7.846 8.524 -7.165 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.565 6.152 -6.699 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.973 6.856 -5.855 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.955 7.312 -4.477 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.965 4.553 -5.815 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -6.874 3.789 -3.704 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.881 5.001 -4.546 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.839 5.470 -3.121 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -9.388 3.827 -3.907 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -9.443 5.503 -3.312 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -10.188 5.088 -4.875 1.00 1.00 H new ATOM 347 N GLU A 21 -11.282 7.248 -5.235 1.00 1.00 N ATOM 348 CA GLU A 21 -12.368 7.924 -4.514 1.00 1.00 C ATOM 349 C GLU A 21 -11.862 8.482 -3.179 1.00 1.00 C ATOM 350 O GLU A 21 -12.267 9.573 -2.775 1.00 1.00 O ATOM 351 CB GLU A 21 -13.546 6.927 -4.247 1.00 1.00 C ATOM 352 CG GLU A 21 -12.999 5.503 -3.903 1.00 1.00 C ATOM 353 CD GLU A 21 -14.115 4.599 -3.374 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.221 4.718 -3.865 1.00 1.00 O ATOM 355 OE2 GLU A 21 -13.847 3.811 -2.478 1.00 1.00 O ATOM 0 H GLU A 21 -11.457 6.261 -5.423 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.725 8.748 -5.132 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.160 7.294 -3.425 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -14.189 6.872 -5.126 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.555 5.056 -4.792 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -12.208 5.584 -3.158 1.00 1.00 H new ATOM 362 N LYS A 22 -11.003 7.744 -2.484 1.00 1.00 N ATOM 363 CA LYS A 22 -10.478 8.222 -1.173 1.00 1.00 C ATOM 364 C LYS A 22 -9.241 7.424 -0.727 1.00 1.00 C ATOM 365 O LYS A 22 -9.013 6.346 -1.275 1.00 1.00 O ATOM 366 CB LYS A 22 -11.604 8.106 -0.079 1.00 1.00 C ATOM 367 CG LYS A 22 -12.137 9.499 0.355 1.00 1.00 C ATOM 368 CD LYS A 22 -13.110 9.378 1.553 1.00 1.00 C ATOM 369 CE LYS A 22 -14.361 8.533 1.188 1.00 1.00 C ATOM 370 NZ LYS A 22 -15.414 8.807 2.183 1.00 1.00 N ATOM 0 H LYS A 22 -10.652 6.833 -2.781 1.00 1.00 H new ATOM 0 HA LYS A 22 -10.178 9.263 -1.293 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -12.428 7.507 -0.468 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -11.211 7.580 0.791 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -11.300 10.143 0.626 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -12.646 9.974 -0.484 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -12.594 8.920 2.397 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.422 10.373 1.872 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -14.710 8.785 0.187 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -14.113 7.472 1.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -16.261 8.249 1.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -15.073 8.546 3.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.652 9.819 2.167 1.00 1.00 H new ATOM 384 N PRO A 23 -8.458 7.891 0.207 1.00 1.00 N ATOM 385 CA PRO A 23 -7.247 7.170 0.699 1.00 1.00 C ATOM 386 C PRO A 23 -7.558 5.735 1.090 1.00 1.00 C ATOM 387 O PRO A 23 -7.726 5.394 2.261 1.00 1.00 O ATOM 388 CB PRO A 23 -6.770 7.989 1.944 1.00 1.00 C ATOM 389 CG PRO A 23 -7.266 9.368 1.679 1.00 1.00 C ATOM 390 CD PRO A 23 -8.625 9.160 0.968 1.00 1.00 C ATOM 0 HA PRO A 23 -6.484 7.103 -0.077 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -7.184 7.587 2.869 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -5.685 7.967 2.044 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -7.384 9.932 2.604 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -6.571 9.926 1.052 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -9.442 9.087 1.686 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -8.857 9.993 0.304 1.00 1.00 H new ATOM 398 N LEU A 24 -7.598 4.868 0.084 1.00 1.00 N ATOM 399 CA LEU A 24 -7.859 3.388 0.262 1.00 1.00 C ATOM 400 C LEU A 24 -7.882 2.907 1.769 1.00 1.00 C ATOM 401 O LEU A 24 -7.204 3.533 2.585 1.00 1.00 O ATOM 402 CB LEU A 24 -6.786 2.554 -0.541 1.00 1.00 C ATOM 403 CG LEU A 24 -5.433 3.324 -0.706 1.00 1.00 C ATOM 404 CD1 LEU A 24 -4.741 3.564 0.660 1.00 1.00 C ATOM 405 CD2 LEU A 24 -4.485 2.529 -1.638 1.00 1.00 C ATOM 0 H LEU A 24 -7.454 5.141 -0.888 1.00 1.00 H new ATOM 0 HA LEU A 24 -8.862 3.214 -0.128 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -6.604 1.611 -0.026 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -7.183 2.308 -1.526 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.655 4.296 -1.146 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.805 4.101 0.504 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -5.396 4.154 1.301 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -4.535 2.606 1.137 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.545 3.070 -1.749 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -4.290 1.547 -1.207 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -4.952 2.409 -2.616 1.00 1.00 H new ATOM 417 N PRO A 25 -8.637 1.910 2.136 1.00 1.00 N ATOM 418 CA PRO A 25 -8.722 1.466 3.562 1.00 1.00 C ATOM 419 C PRO A 25 -7.379 0.939 4.069 1.00 1.00 C ATOM 420 O PRO A 25 -6.539 0.466 3.305 1.00 1.00 O ATOM 421 CB PRO A 25 -9.833 0.371 3.520 1.00 1.00 C ATOM 422 CG PRO A 25 -9.741 -0.166 2.117 1.00 1.00 C ATOM 423 CD PRO A 25 -9.495 1.080 1.257 1.00 1.00 C ATOM 0 HA PRO A 25 -8.961 2.270 4.258 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -9.657 -0.409 4.261 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -10.818 0.790 3.726 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -8.929 -0.886 2.018 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -10.658 -0.678 1.825 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -8.998 0.834 0.319 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -10.425 1.587 1.001 1.00 1.00 H new ATOM 431 N GLU A 26 -7.194 0.999 5.385 1.00 1.00 N ATOM 432 CA GLU A 26 -5.968 0.540 6.040 1.00 1.00 C ATOM 433 C GLU A 26 -6.263 -0.741 6.779 1.00 1.00 C ATOM 434 O GLU A 26 -7.402 -1.103 7.073 1.00 1.00 O ATOM 435 CB GLU A 26 -5.441 1.602 7.031 1.00 1.00 C ATOM 436 CG GLU A 26 -5.080 2.910 6.296 1.00 1.00 C ATOM 437 CD GLU A 26 -4.527 3.957 7.276 1.00 1.00 C ATOM 438 OE1 GLU A 26 -4.491 3.683 8.469 1.00 1.00 O ATOM 439 OE2 GLU A 26 -4.140 5.021 6.817 1.00 1.00 O ATOM 0 H GLU A 26 -7.891 1.368 6.031 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.202 0.372 5.283 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.197 1.803 7.790 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -4.563 1.217 7.550 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.340 2.704 5.522 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.964 3.306 5.795 1.00 1.00 H new ATOM 446 N VAL A 27 -5.192 -1.471 7.070 1.00 1.00 N ATOM 447 CA VAL A 27 -5.273 -2.770 7.763 1.00 1.00 C ATOM 448 C VAL A 27 -4.135 -2.903 8.783 1.00 1.00 C ATOM 449 O VAL A 27 -3.173 -2.136 8.801 1.00 1.00 O ATOM 450 CB VAL A 27 -5.239 -3.929 6.699 1.00 1.00 C ATOM 451 CG1 VAL A 27 -6.669 -4.255 6.181 1.00 1.00 C ATOM 452 CG2 VAL A 27 -4.341 -3.510 5.482 1.00 1.00 C ATOM 0 H VAL A 27 -4.240 -1.187 6.836 1.00 1.00 H new ATOM 0 HA VAL A 27 -6.211 -2.836 8.314 1.00 1.00 H new ATOM 0 HB VAL A 27 -4.827 -4.815 7.182 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -6.616 -5.059 5.447 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -7.296 -4.567 7.016 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -7.099 -3.368 5.716 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -4.322 -4.317 4.749 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.749 -2.611 5.021 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -3.327 -3.311 5.829 1.00 1.00 H new ATOM 462 N SER A 28 -4.253 -3.898 9.656 1.00 1.00 N ATOM 463 CA SER A 28 -3.253 -4.149 10.699 1.00 1.00 C ATOM 464 C SER A 28 -2.154 -5.073 10.166 1.00 1.00 C ATOM 465 O SER A 28 -2.389 -6.053 9.459 1.00 1.00 O ATOM 466 CB SER A 28 -3.920 -4.804 11.910 1.00 1.00 C ATOM 467 OG SER A 28 -4.353 -6.104 11.545 1.00 1.00 O ATOM 0 H SER A 28 -5.036 -4.551 9.665 1.00 1.00 H new ATOM 0 HA SER A 28 -2.810 -3.198 10.995 1.00 1.00 H new ATOM 0 HB2 SER A 28 -3.219 -4.860 12.743 1.00 1.00 H new ATOM 0 HB3 SER A 28 -4.766 -4.204 12.245 1.00 1.00 H new ATOM 0 HG SER A 28 -4.781 -6.534 12.315 1.00 1.00 H new ATOM 473 N VAL A 29 -0.916 -4.748 10.527 1.00 1.00 N ATOM 474 CA VAL A 29 0.261 -5.553 10.077 1.00 1.00 C ATOM 475 C VAL A 29 0.891 -6.230 11.293 1.00 1.00 C ATOM 476 O VAL A 29 1.035 -5.618 12.350 1.00 1.00 O ATOM 477 CB VAL A 29 1.318 -4.644 9.384 1.00 1.00 C ATOM 478 CG1 VAL A 29 2.469 -5.504 8.790 1.00 1.00 C ATOM 479 CG2 VAL A 29 0.656 -3.798 8.266 1.00 1.00 C ATOM 0 H VAL A 29 -0.683 -3.951 11.119 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.074 -6.301 9.359 1.00 1.00 H new ATOM 0 HB VAL A 29 1.734 -3.971 10.133 1.00 1.00 H new ATOM 0 HG11 VAL A 29 3.199 -4.853 8.309 1.00 1.00 H new ATOM 0 HG12 VAL A 29 2.954 -6.065 9.589 1.00 1.00 H new ATOM 0 HG13 VAL A 29 2.062 -6.198 8.055 1.00 1.00 H new ATOM 0 HG21 VAL A 29 1.409 -3.168 7.792 1.00 1.00 H new ATOM 0 HG22 VAL A 29 0.216 -4.461 7.521 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -0.123 -3.170 8.698 1.00 1.00 H new ATOM 489 N THR A 30 1.287 -7.491 11.163 1.00 1.00 N ATOM 490 CA THR A 30 1.921 -8.205 12.302 1.00 1.00 C ATOM 491 C THR A 30 3.334 -8.637 11.927 1.00 1.00 C ATOM 492 O THR A 30 3.535 -9.338 10.936 1.00 1.00 O ATOM 493 CB THR A 30 1.074 -9.435 12.695 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.278 -9.020 12.822 1.00 1.00 O ATOM 495 CG2 THR A 30 1.551 -10.010 14.048 1.00 1.00 C ATOM 0 H THR A 30 1.191 -8.042 10.310 1.00 1.00 H new ATOM 0 HA THR A 30 1.975 -7.530 13.156 1.00 1.00 H new ATOM 0 HB THR A 30 1.176 -10.206 11.931 1.00 1.00 H new ATOM 0 HG1 THR A 30 -0.834 -9.788 13.070 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.943 -10.876 14.310 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.596 -10.311 13.968 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.451 -9.249 14.822 1.00 1.00 H new ATOM 503 N ILE A 31 4.324 -8.241 12.721 1.00 1.00 N ATOM 504 CA ILE A 31 5.739 -8.607 12.478 1.00 1.00 C ATOM 505 C ILE A 31 6.348 -9.219 13.741 1.00 1.00 C ATOM 506 O ILE A 31 5.862 -9.025 14.854 1.00 1.00 O ATOM 507 CB ILE A 31 6.543 -7.366 12.023 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.948 -6.814 10.683 1.00 1.00 C ATOM 509 CG2 ILE A 31 8.046 -7.714 11.841 1.00 1.00 C ATOM 510 CD1 ILE A 31 6.056 -7.803 9.472 1.00 1.00 C ATOM 0 H ILE A 31 4.183 -7.661 13.548 1.00 1.00 H new ATOM 0 HA ILE A 31 5.782 -9.350 11.682 1.00 1.00 H new ATOM 0 HB ILE A 31 6.466 -6.600 12.794 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.899 -6.565 10.841 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.461 -5.887 10.426 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.589 -6.825 11.521 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.455 -8.068 12.787 1.00 1.00 H new ATOM 0 HG23 ILE A 31 8.150 -8.494 11.087 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.621 -7.342 8.586 1.00 1.00 H new ATOM 0 HD12 ILE A 31 7.104 -8.034 9.283 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.518 -8.722 9.704 1.00 1.00 H new ATOM 522 N ARG A 32 7.426 -9.972 13.559 1.00 1.00 N ATOM 523 CA ARG A 32 8.149 -10.645 14.663 1.00 1.00 C ATOM 524 C ARG A 32 9.642 -10.331 14.574 1.00 1.00 C ATOM 525 O ARG A 32 10.314 -10.635 13.589 1.00 1.00 O ATOM 526 CB ARG A 32 7.922 -12.168 14.535 1.00 1.00 C ATOM 527 CG ARG A 32 6.455 -12.561 14.943 1.00 1.00 C ATOM 528 CD ARG A 32 6.347 -12.780 16.476 1.00 1.00 C ATOM 529 NE ARG A 32 7.150 -13.959 16.817 1.00 1.00 N ATOM 530 CZ ARG A 32 6.712 -15.207 16.574 1.00 1.00 C ATOM 531 NH1 ARG A 32 5.555 -15.390 15.984 1.00 1.00 N ATOM 532 NH2 ARG A 32 7.477 -16.225 16.841 1.00 1.00 N ATOM 0 H ARG A 32 7.836 -10.142 12.641 1.00 1.00 H new ATOM 0 HA ARG A 32 7.778 -10.291 15.625 1.00 1.00 H new ATOM 0 HB2 ARG A 32 8.113 -12.482 13.509 1.00 1.00 H new ATOM 0 HB3 ARG A 32 8.633 -12.699 15.168 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.765 -11.776 14.634 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.159 -13.470 14.420 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.708 -11.903 17.014 1.00 1.00 H new ATOM 0 HD3 ARG A 32 5.307 -12.928 16.769 1.00 1.00 H new ATOM 0 HE ARG A 32 8.064 -13.829 17.250 1.00 1.00 H new ATOM 0 HH11 ARG A 32 4.989 -14.587 15.710 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.221 -16.336 15.799 1.00 1.00 H new ATOM 0 HH21 ARG A 32 8.406 -16.075 17.234 1.00 1.00 H new ATOM 0 HH22 ARG A 32 7.147 -17.173 16.658 1.00 1.00 H new ATOM 546 N ALA A 33 10.166 -9.720 15.632 1.00 1.00 N ATOM 547 CA ALA A 33 11.581 -9.359 15.671 1.00 1.00 C ATOM 548 C ALA A 33 11.991 -9.028 17.106 1.00 1.00 C ATOM 549 O ALA A 33 11.168 -8.999 18.022 1.00 1.00 O ATOM 550 CB ALA A 33 11.837 -8.164 14.689 1.00 1.00 C ATOM 0 H ALA A 33 9.639 -9.466 16.467 1.00 1.00 H new ATOM 0 HA ALA A 33 12.196 -10.197 15.344 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.892 -7.891 14.715 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.564 -8.460 13.676 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.234 -7.308 14.992 1.00 1.00 H new ATOM 556 N TYR A 34 13.279 -8.759 17.289 1.00 1.00 N ATOM 557 CA TYR A 34 13.812 -8.434 18.609 1.00 1.00 C ATOM 558 C TYR A 34 13.320 -7.038 19.081 1.00 1.00 C ATOM 559 O TYR A 34 13.102 -6.174 18.231 1.00 1.00 O ATOM 560 CB TYR A 34 15.359 -8.466 18.544 1.00 1.00 C ATOM 561 CG TYR A 34 15.852 -9.906 18.449 1.00 1.00 C ATOM 562 CD1 TYR A 34 16.119 -10.633 19.622 1.00 1.00 C ATOM 563 CD2 TYR A 34 16.011 -10.522 17.191 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.557 -11.952 19.540 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.452 -11.841 17.116 1.00 1.00 C ATOM 566 CZ TYR A 34 16.715 -12.556 18.290 1.00 1.00 C ATOM 567 OH TYR A 34 17.147 -13.857 18.215 1.00 1.00 O ATOM 0 H TYR A 34 13.973 -8.759 16.542 1.00 1.00 H new ATOM 0 HA TYR A 34 13.456 -9.170 19.330 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.706 -7.897 17.681 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.778 -7.988 19.430 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.984 -10.168 20.587 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.791 -9.972 16.288 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.774 -12.507 20.441 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.591 -12.311 16.154 1.00 1.00 H new ATOM 0 HH TYR A 34 17.204 -14.129 17.275 1.00 1.00 H new ATOM 577 N PRO A 35 13.162 -6.797 20.353 1.00 1.00 N ATOM 578 CA PRO A 35 12.713 -5.456 20.858 1.00 1.00 C ATOM 579 C PRO A 35 13.805 -4.388 20.683 1.00 1.00 C ATOM 580 O PRO A 35 13.499 -3.202 20.555 1.00 1.00 O ATOM 581 CB PRO A 35 12.364 -5.706 22.353 1.00 1.00 C ATOM 582 CG PRO A 35 13.196 -6.901 22.755 1.00 1.00 C ATOM 583 CD PRO A 35 13.381 -7.751 21.473 1.00 1.00 C ATOM 0 HA PRO A 35 11.860 -5.066 20.303 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.602 -4.836 22.965 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.300 -5.905 22.482 1.00 1.00 H new ATOM 0 HG2 PRO A 35 14.160 -6.587 23.156 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.698 -7.477 23.535 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.377 -8.191 21.430 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.668 -8.574 21.437 1.00 1.00 H new ATOM 591 N GLU A 36 15.067 -4.806 20.706 1.00 1.00 N ATOM 592 CA GLU A 36 16.193 -3.856 20.583 1.00 1.00 C ATOM 593 C GLU A 36 16.159 -3.134 19.233 1.00 1.00 C ATOM 594 O GLU A 36 16.413 -1.934 19.133 1.00 1.00 O ATOM 595 CB GLU A 36 17.531 -4.625 20.758 1.00 1.00 C ATOM 596 CG GLU A 36 17.870 -5.482 19.494 1.00 1.00 C ATOM 597 CD GLU A 36 18.925 -6.551 19.798 1.00 1.00 C ATOM 598 OE1 GLU A 36 20.083 -6.192 19.906 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.556 -7.711 19.911 1.00 1.00 O ATOM 0 H GLU A 36 15.345 -5.782 20.807 1.00 1.00 H new ATOM 0 HA GLU A 36 16.105 -3.099 21.362 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.337 -3.916 20.945 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.468 -5.273 21.632 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.963 -5.961 19.126 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.232 -4.830 18.699 1.00 1.00 H new ATOM 606 N ILE A 37 15.837 -3.878 18.181 1.00 1.00 N ATOM 607 CA ILE A 37 15.778 -3.306 16.819 1.00 1.00 C ATOM 608 C ILE A 37 14.419 -2.662 16.583 1.00 1.00 C ATOM 609 O ILE A 37 14.297 -1.648 15.895 1.00 1.00 O ATOM 610 CB ILE A 37 16.086 -4.398 15.742 1.00 1.00 C ATOM 611 CG1 ILE A 37 15.025 -5.539 15.796 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.529 -4.994 15.964 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.386 -6.696 14.820 1.00 1.00 C ATOM 0 H ILE A 37 15.613 -4.872 18.232 1.00 1.00 H new ATOM 0 HA ILE A 37 16.543 -2.534 16.728 1.00 1.00 H new ATOM 0 HB ILE A 37 16.043 -3.929 14.759 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.956 -5.926 16.813 1.00 1.00 H new ATOM 0 HG13 ILE A 37 14.044 -5.138 15.541 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.730 -5.753 15.207 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.268 -4.197 15.884 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.588 -5.445 16.955 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.626 -7.475 14.882 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.429 -6.312 13.801 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.356 -7.112 15.092 1.00 1.00 H new ATOM 625 N LEU A 38 13.379 -3.259 17.157 1.00 1.00 N ATOM 626 CA LEU A 38 12.005 -2.729 17.010 1.00 1.00 C ATOM 627 C LEU A 38 11.885 -1.408 17.762 1.00 1.00 C ATOM 628 O LEU A 38 11.188 -0.491 17.327 1.00 1.00 O ATOM 629 CB LEU A 38 10.969 -3.773 17.537 1.00 1.00 C ATOM 630 CG LEU A 38 10.695 -4.924 16.503 1.00 1.00 C ATOM 631 CD1 LEU A 38 10.035 -6.151 17.201 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.770 -4.438 15.355 1.00 1.00 C ATOM 0 H LEU A 38 13.448 -4.103 17.726 1.00 1.00 H new ATOM 0 HA LEU A 38 11.794 -2.548 15.956 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.335 -4.205 18.468 1.00 1.00 H new ATOM 0 HB3 LEU A 38 10.032 -3.266 17.768 1.00 1.00 H new ATOM 0 HG LEU A 38 11.658 -5.218 16.085 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.855 -6.935 16.465 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.700 -6.529 17.978 1.00 1.00 H new ATOM 0 HD13 LEU A 38 9.088 -5.849 17.649 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.598 -5.256 14.655 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.817 -4.109 15.770 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.244 -3.607 14.833 1.00 1.00 H new ATOM 644 N ASN A 39 12.578 -1.306 18.892 1.00 1.00 N ATOM 645 CA ASN A 39 12.548 -0.091 19.715 1.00 1.00 C ATOM 646 C ASN A 39 13.411 0.987 19.070 1.00 1.00 C ATOM 647 O ASN A 39 13.354 2.159 19.446 1.00 1.00 O ATOM 648 CB ASN A 39 13.061 -0.419 21.131 1.00 1.00 C ATOM 649 CG ASN A 39 12.082 -1.355 21.871 1.00 1.00 C ATOM 650 OD1 ASN A 39 12.092 -1.410 23.100 1.00 1.00 O ATOM 651 ND2 ASN A 39 11.255 -2.116 21.191 1.00 1.00 N ATOM 0 H ASN A 39 13.170 -2.049 19.263 1.00 1.00 H new ATOM 0 HA ASN A 39 11.526 0.280 19.788 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.042 -0.890 21.066 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.187 0.503 21.699 1.00 1.00 H new ATOM 0 HD21 ASN A 39 10.624 -2.750 21.682 1.00 1.00 H new ATOM 0 HD22 ASN A 39 11.244 -2.073 20.172 1.00 1.00 H new ATOM 658 N ASN A 40 14.216 0.595 18.088 1.00 1.00 N ATOM 659 CA ASN A 40 15.105 1.515 17.363 1.00 1.00 C ATOM 660 C ASN A 40 14.517 1.840 15.994 1.00 1.00 C ATOM 661 O ASN A 40 14.704 2.949 15.494 1.00 1.00 O ATOM 662 CB ASN A 40 16.492 0.853 17.190 1.00 1.00 C ATOM 663 CG ASN A 40 17.158 0.645 18.554 1.00 1.00 C ATOM 664 OD1 ASN A 40 16.730 1.226 19.554 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.182 -0.158 18.657 1.00 1.00 N ATOM 0 H ASN A 40 14.275 -0.371 17.767 1.00 1.00 H new ATOM 0 HA ASN A 40 15.208 2.440 17.931 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.384 -0.105 16.681 1.00 1.00 H new ATOM 0 HB3 ASN A 40 17.125 1.479 16.561 1.00 1.00 H new ATOM 0 HD21 ASN A 40 18.627 -0.304 19.563 1.00 1.00 H new ATOM 0 HD22 ASN A 40 18.538 -0.640 17.831 1.00 1.00 H new ATOM 672 N LEU A 41 13.826 0.887 15.378 1.00 1.00 N ATOM 673 CA LEU A 41 13.224 1.064 14.057 1.00 1.00 C ATOM 674 C LEU A 41 12.141 2.150 14.128 1.00 1.00 C ATOM 675 O LEU A 41 11.379 2.246 15.090 1.00 1.00 O ATOM 676 CB LEU A 41 12.611 -0.307 13.528 1.00 1.00 C ATOM 677 CG LEU A 41 13.065 -0.653 12.074 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.556 -2.063 11.673 1.00 1.00 C ATOM 679 CD2 LEU A 41 12.535 0.408 11.076 1.00 1.00 C ATOM 0 H LEU A 41 13.666 -0.036 15.782 1.00 1.00 H new ATOM 0 HA LEU A 41 13.996 1.377 13.354 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.907 -1.114 14.198 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.523 -0.249 13.560 1.00 1.00 H new ATOM 0 HG LEU A 41 14.155 -0.650 12.042 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.879 -2.291 10.657 1.00 1.00 H new ATOM 0 HD12 LEU A 41 12.963 -2.806 12.359 1.00 1.00 H new ATOM 0 HD13 LEU A 41 11.467 -2.084 11.720 1.00 1.00 H new ATOM 0 HD21 LEU A 41 12.860 0.153 10.067 1.00 1.00 H new ATOM 0 HD22 LEU A 41 11.446 0.429 11.112 1.00 1.00 H new ATOM 0 HD23 LEU A 41 12.926 1.389 11.346 1.00 1.00 H new ATOM 691 N THR A 42 12.073 2.982 13.094 1.00 1.00 N ATOM 692 CA THR A 42 11.066 4.073 13.025 1.00 1.00 C ATOM 693 C THR A 42 10.184 3.884 11.781 1.00 1.00 C ATOM 694 O THR A 42 10.626 3.379 10.749 1.00 1.00 O ATOM 695 CB THR A 42 11.776 5.447 12.976 1.00 1.00 C ATOM 696 OG1 THR A 42 10.832 6.435 12.608 1.00 1.00 O ATOM 697 CG2 THR A 42 12.939 5.436 11.966 1.00 1.00 C ATOM 0 H THR A 42 12.695 2.935 12.287 1.00 1.00 H new ATOM 0 HA THR A 42 10.437 4.038 13.914 1.00 1.00 H new ATOM 0 HB THR A 42 12.189 5.666 13.961 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.271 7.311 12.575 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.419 6.415 11.953 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.667 4.679 12.257 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.555 5.207 10.972 1.00 1.00 H new ATOM 705 N LYS A 43 8.927 4.295 11.887 1.00 1.00 N ATOM 706 CA LYS A 43 7.987 4.151 10.762 1.00 1.00 C ATOM 707 C LYS A 43 8.523 4.800 9.465 1.00 1.00 C ATOM 708 O LYS A 43 8.316 4.289 8.366 1.00 1.00 O ATOM 709 CB LYS A 43 6.645 4.777 11.160 1.00 1.00 C ATOM 710 CG LYS A 43 6.830 6.285 11.497 1.00 1.00 C ATOM 711 CD LYS A 43 5.519 6.862 12.046 1.00 1.00 C ATOM 712 CE LYS A 43 5.681 8.356 12.378 1.00 1.00 C ATOM 713 NZ LYS A 43 4.401 8.872 12.926 1.00 1.00 N ATOM 0 H LYS A 43 8.531 4.725 12.723 1.00 1.00 H new ATOM 0 HA LYS A 43 7.861 3.089 10.550 1.00 1.00 H new ATOM 0 HB2 LYS A 43 5.928 4.665 10.346 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.233 4.253 12.022 1.00 1.00 H new ATOM 0 HG2 LYS A 43 7.627 6.408 12.231 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.132 6.832 10.604 1.00 1.00 H new ATOM 0 HD2 LYS A 43 4.723 6.731 11.313 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.221 6.315 12.941 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.484 8.496 13.102 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.959 8.912 11.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 4.503 9.882 13.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.647 8.750 12.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 4.156 8.346 13.789 1.00 1.00 H new ATOM 727 N GLU A 44 9.212 5.929 9.599 1.00 1.00 N ATOM 728 CA GLU A 44 9.764 6.662 8.453 1.00 1.00 C ATOM 729 C GLU A 44 10.721 5.784 7.647 1.00 1.00 C ATOM 730 O GLU A 44 10.971 6.031 6.466 1.00 1.00 O ATOM 731 CB GLU A 44 10.510 7.916 8.957 1.00 1.00 C ATOM 732 CG GLU A 44 9.563 8.831 9.766 1.00 1.00 C ATOM 733 CD GLU A 44 8.424 9.365 8.886 1.00 1.00 C ATOM 734 OE1 GLU A 44 8.725 9.911 7.836 1.00 1.00 O ATOM 735 OE2 GLU A 44 7.277 9.203 9.264 1.00 1.00 O ATOM 0 H GLU A 44 9.406 6.365 10.501 1.00 1.00 H new ATOM 0 HA GLU A 44 8.941 6.955 7.802 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.353 7.617 9.579 1.00 1.00 H new ATOM 0 HB3 GLU A 44 10.919 8.467 8.110 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.147 8.276 10.607 1.00 1.00 H new ATOM 0 HG3 GLU A 44 10.127 9.666 10.182 1.00 1.00 H new ATOM 742 N GLN A 45 11.255 4.742 8.275 1.00 1.00 N ATOM 743 CA GLN A 45 12.189 3.822 7.603 1.00 1.00 C ATOM 744 C GLN A 45 11.435 2.880 6.675 1.00 1.00 C ATOM 745 O GLN A 45 11.911 2.574 5.581 1.00 1.00 O ATOM 746 CB GLN A 45 13.012 2.999 8.662 1.00 1.00 C ATOM 747 CG GLN A 45 14.423 3.585 8.876 1.00 1.00 C ATOM 748 CD GLN A 45 15.176 2.783 9.943 1.00 1.00 C ATOM 749 OE1 GLN A 45 14.937 2.942 11.137 1.00 1.00 O ATOM 750 NE2 GLN A 45 16.056 1.904 9.563 1.00 1.00 N ATOM 0 H GLN A 45 11.062 4.506 9.249 1.00 1.00 H new ATOM 0 HA GLN A 45 12.884 4.415 7.008 1.00 1.00 H new ATOM 0 HB2 GLN A 45 12.475 2.989 9.611 1.00 1.00 H new ATOM 0 HB3 GLN A 45 13.095 1.963 8.332 1.00 1.00 H new ATOM 0 HG2 GLN A 45 14.978 3.566 7.938 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.348 4.629 9.181 1.00 1.00 H new ATOM 0 HE21 GLN A 45 16.252 1.775 8.570 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.550 1.344 10.258 1.00 1.00 H new ATOM 759 N ILE A 46 10.274 2.397 7.104 1.00 1.00 N ATOM 760 CA ILE A 46 9.486 1.451 6.321 1.00 1.00 C ATOM 761 C ILE A 46 8.977 2.113 5.029 1.00 1.00 C ATOM 762 O ILE A 46 8.357 3.176 5.051 1.00 1.00 O ATOM 763 CB ILE A 46 8.290 0.902 7.168 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.745 0.616 8.641 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.726 -0.403 6.527 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.985 -0.294 8.717 1.00 1.00 C ATOM 0 H ILE A 46 9.854 2.648 7.999 1.00 1.00 H new ATOM 0 HA ILE A 46 10.126 0.612 6.047 1.00 1.00 H new ATOM 0 HB ILE A 46 7.506 1.659 7.183 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.962 1.561 9.139 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.924 0.150 9.186 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.895 -0.773 7.127 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.378 -0.191 5.516 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.511 -1.158 6.489 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.253 -0.457 9.761 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.763 -1.251 8.246 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.818 0.181 8.198 1.00 1.00 H new ATOM 778 N SER A 47 9.247 1.475 3.896 1.00 1.00 N ATOM 779 CA SER A 47 8.834 1.984 2.569 1.00 1.00 C ATOM 780 C SER A 47 7.695 1.117 2.035 1.00 1.00 C ATOM 781 O SER A 47 7.908 0.030 1.502 1.00 1.00 O ATOM 782 CB SER A 47 10.057 1.955 1.621 1.00 1.00 C ATOM 783 OG SER A 47 10.731 3.211 1.678 1.00 1.00 O ATOM 0 H SER A 47 9.756 0.592 3.858 1.00 1.00 H new ATOM 0 HA SER A 47 8.476 3.011 2.641 1.00 1.00 H new ATOM 0 HB2 SER A 47 10.736 1.152 1.910 1.00 1.00 H new ATOM 0 HB3 SER A 47 9.735 1.749 0.600 1.00 1.00 H new ATOM 0 HG SER A 47 11.589 3.144 1.209 1.00 1.00 H new ATOM 789 N LEU A 48 6.471 1.619 2.163 1.00 1.00 N ATOM 790 CA LEU A 48 5.274 0.882 1.700 1.00 1.00 C ATOM 791 C LEU A 48 4.599 1.639 0.586 1.00 1.00 C ATOM 792 O LEU A 48 4.346 2.839 0.689 1.00 1.00 O ATOM 793 CB LEU A 48 4.283 0.693 2.875 1.00 1.00 C ATOM 794 CG LEU A 48 5.005 0.065 4.101 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.002 -0.095 5.264 1.00 1.00 C ATOM 796 CD2 LEU A 48 5.667 -1.321 3.758 1.00 1.00 C ATOM 0 H LEU A 48 6.270 2.528 2.580 1.00 1.00 H new ATOM 0 HA LEU A 48 5.585 -0.095 1.331 1.00 1.00 H new ATOM 0 HB2 LEU A 48 3.852 1.655 3.153 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.458 0.052 2.563 1.00 1.00 H new ATOM 0 HG LEU A 48 5.810 0.739 4.395 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.508 -0.535 6.123 1.00 1.00 H new ATOM 0 HD12 LEU A 48 3.604 0.882 5.539 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.184 -0.745 4.952 1.00 1.00 H new ATOM 0 HD21 LEU A 48 6.158 -1.719 4.646 1.00 1.00 H new ATOM 0 HD22 LEU A 48 4.899 -2.019 3.425 1.00 1.00 H new ATOM 0 HD23 LEU A 48 6.403 -1.186 2.965 1.00 1.00 H new ATOM 808 N TRP A 49 4.280 0.931 -0.492 1.00 1.00 N ATOM 809 CA TRP A 49 3.610 1.525 -1.621 1.00 1.00 C ATOM 810 C TRP A 49 2.942 0.428 -2.441 1.00 1.00 C ATOM 811 O TRP A 49 2.982 -0.750 -2.088 1.00 1.00 O ATOM 812 CB TRP A 49 4.604 2.375 -2.469 1.00 1.00 C ATOM 813 CG TRP A 49 5.440 1.492 -3.366 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.088 1.096 -4.606 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.723 0.876 -3.101 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.070 0.285 -5.123 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.103 0.122 -4.238 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.586 0.902 -2.008 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.297 -0.581 -4.283 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.794 0.193 -2.050 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.151 -0.543 -3.184 1.00 1.00 C ATOM 0 H TRP A 49 4.481 -0.063 -0.598 1.00 1.00 H new ATOM 0 HA TRP A 49 2.836 2.209 -1.273 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.050 3.094 -3.073 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.254 2.948 -1.808 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.176 1.373 -5.114 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.034 -0.142 -6.049 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.324 1.469 -1.127 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.562 -1.152 -5.161 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.456 0.215 -1.197 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.087 -1.081 -3.207 1.00 1.00 H new ATOM 832 N ILE A 50 2.323 0.815 -3.552 1.00 1.00 N ATOM 833 CA ILE A 50 1.631 -0.132 -4.448 1.00 1.00 C ATOM 834 C ILE A 50 1.854 0.275 -5.920 1.00 1.00 C ATOM 835 O ILE A 50 2.037 1.445 -6.257 1.00 1.00 O ATOM 836 CB ILE A 50 0.102 -0.156 -4.147 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.135 -0.327 -2.612 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.574 -1.312 -4.932 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.626 -0.305 -2.255 1.00 1.00 C ATOM 0 H ILE A 50 2.281 1.785 -3.863 1.00 1.00 H new ATOM 0 HA ILE A 50 2.042 -1.127 -4.276 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.341 0.787 -4.466 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.303 -1.268 -2.280 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.378 0.471 -2.075 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.642 -1.322 -4.716 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.421 -1.164 -6.001 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.134 -2.263 -4.631 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.744 -0.427 -1.178 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.060 0.647 -2.562 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.136 -1.119 -2.770 1.00 1.00 H new ATOM 851 N ASP A 51 1.827 -0.723 -6.794 1.00 1.00 N ATOM 852 CA ASP A 51 2.014 -0.497 -8.250 1.00 1.00 C ATOM 853 C ASP A 51 0.668 -0.595 -9.007 1.00 1.00 C ATOM 854 O ASP A 51 0.108 -1.679 -9.171 1.00 1.00 O ATOM 855 CB ASP A 51 3.013 -1.543 -8.781 1.00 1.00 C ATOM 856 CG ASP A 51 2.493 -2.960 -8.524 1.00 1.00 C ATOM 857 OD1 ASP A 51 2.004 -3.201 -7.432 1.00 1.00 O ATOM 858 OD2 ASP A 51 2.591 -3.781 -9.424 1.00 1.00 O ATOM 0 H ASP A 51 1.679 -1.699 -6.537 1.00 1.00 H new ATOM 0 HA ASP A 51 2.404 0.507 -8.414 1.00 1.00 H new ATOM 0 HB2 ASP A 51 3.170 -1.395 -9.849 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.980 -1.410 -8.295 1.00 1.00 H new ATOM 863 N ALA A 52 0.169 0.546 -9.474 1.00 1.00 N ATOM 864 CA ALA A 52 -1.111 0.584 -10.225 1.00 1.00 C ATOM 865 C ALA A 52 -0.859 0.275 -11.700 1.00 1.00 C ATOM 866 O ALA A 52 -1.799 0.250 -12.493 1.00 1.00 O ATOM 867 CB ALA A 52 -1.790 1.980 -10.072 1.00 1.00 C ATOM 0 H ALA A 52 0.616 1.455 -9.355 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.781 -0.172 -9.816 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.727 1.992 -10.628 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.991 2.173 -9.018 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -1.127 2.752 -10.462 1.00 1.00 H new ATOM 873 N THR A 53 0.393 0.034 -12.079 1.00 1.00 N ATOM 874 CA THR A 53 0.733 -0.277 -13.466 1.00 1.00 C ATOM 875 C THR A 53 0.098 -1.588 -13.868 1.00 1.00 C ATOM 876 O THR A 53 -0.258 -2.396 -13.011 1.00 1.00 O ATOM 877 CB THR A 53 2.266 -0.369 -13.633 1.00 1.00 C ATOM 878 OG1 THR A 53 2.560 -0.373 -15.025 1.00 1.00 O ATOM 879 CG2 THR A 53 2.858 -1.657 -12.974 1.00 1.00 C ATOM 0 H THR A 53 1.191 0.048 -11.444 1.00 1.00 H new ATOM 0 HA THR A 53 0.355 0.519 -14.107 1.00 1.00 H new ATOM 0 HB THR A 53 2.720 0.486 -13.133 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.530 -0.429 -15.154 1.00 1.00 H new ATOM 0 HG21 THR A 53 3.938 -1.676 -13.118 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.634 -1.656 -11.907 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.415 -2.539 -13.436 1.00 1.00 H new ATOM 887 N GLY A 54 -0.047 -1.821 -15.169 1.00 1.00 N ATOM 888 CA GLY A 54 -0.659 -3.058 -15.677 1.00 1.00 C ATOM 889 C GLY A 54 -2.146 -3.142 -15.276 1.00 1.00 C ATOM 890 O GLY A 54 -3.015 -3.461 -16.087 1.00 1.00 O ATOM 0 H GLY A 54 0.250 -1.171 -15.897 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.569 -3.094 -16.763 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -0.123 -3.922 -15.284 1.00 1.00 H new ATOM 894 N LYS A 55 -2.418 -2.856 -14.007 1.00 1.00 N ATOM 895 CA LYS A 55 -3.768 -2.902 -13.460 1.00 1.00 C ATOM 896 C LYS A 55 -4.669 -1.960 -14.248 1.00 1.00 C ATOM 897 O LYS A 55 -4.228 -0.983 -14.851 1.00 1.00 O ATOM 898 CB LYS A 55 -3.758 -2.497 -11.945 1.00 1.00 C ATOM 899 CG LYS A 55 -3.356 -3.669 -10.999 1.00 1.00 C ATOM 900 CD LYS A 55 -1.859 -4.024 -11.158 1.00 1.00 C ATOM 901 CE LYS A 55 -1.493 -5.198 -10.231 1.00 1.00 C ATOM 902 NZ LYS A 55 -2.333 -6.370 -10.595 1.00 1.00 N ATOM 0 H LYS A 55 -1.707 -2.585 -13.328 1.00 1.00 H new ATOM 0 HA LYS A 55 -4.150 -3.919 -13.542 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -3.064 -1.669 -11.802 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.748 -2.136 -11.665 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.559 -3.392 -9.965 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.966 -4.545 -11.220 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.648 -4.289 -12.194 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -1.244 -3.156 -10.919 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -0.436 -5.444 -10.332 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.658 -4.923 -9.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -1.758 -7.236 -10.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -3.127 -6.448 -9.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.701 -6.247 -11.560 1.00 1.00 H new ATOM 916 N ALA A 56 -5.959 -2.278 -14.245 1.00 1.00 N ATOM 917 CA ALA A 56 -6.978 -1.502 -14.953 1.00 1.00 C ATOM 918 C ALA A 56 -8.044 -1.060 -13.970 1.00 1.00 C ATOM 919 O ALA A 56 -7.990 -1.328 -12.769 1.00 1.00 O ATOM 920 CB ALA A 56 -7.591 -2.378 -16.057 1.00 1.00 C ATOM 0 H ALA A 56 -6.332 -3.087 -13.748 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.533 -0.616 -15.406 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.352 -1.810 -16.592 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.811 -2.684 -16.754 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -8.045 -3.262 -15.610 1.00 1.00 H new ATOM 926 N VAL A 57 -9.040 -0.356 -14.497 1.00 1.00 N ATOM 927 CA VAL A 57 -10.138 0.145 -13.696 1.00 1.00 C ATOM 928 C VAL A 57 -10.904 -1.016 -13.073 1.00 1.00 C ATOM 929 O VAL A 57 -11.052 -2.090 -13.657 1.00 1.00 O ATOM 930 CB VAL A 57 -11.081 1.020 -14.569 1.00 1.00 C ATOM 931 CG1 VAL A 57 -12.067 1.800 -13.667 1.00 1.00 C ATOM 932 CG2 VAL A 57 -10.240 2.023 -15.406 1.00 1.00 C ATOM 0 H VAL A 57 -9.104 -0.120 -15.487 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.739 0.765 -12.893 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.646 0.371 -15.239 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.723 2.410 -14.288 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.666 1.096 -13.089 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.508 2.444 -12.988 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.905 2.634 -16.016 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.668 2.666 -14.737 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.556 1.473 -16.053 1.00 1.00 H new ATOM 942 N GLY A 58 -11.405 -0.796 -11.863 1.00 1.00 N ATOM 943 CA GLY A 58 -12.169 -1.798 -11.116 1.00 1.00 C ATOM 944 C GLY A 58 -11.498 -2.075 -9.795 1.00 1.00 C ATOM 945 O GLY A 58 -10.453 -1.510 -9.471 1.00 1.00 O ATOM 0 H GLY A 58 -11.294 0.088 -11.366 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.186 -1.443 -10.950 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.243 -2.718 -11.696 1.00 1.00 H new ATOM 949 N GLU A 59 -12.111 -2.962 -9.017 1.00 1.00 N ATOM 950 CA GLU A 59 -11.590 -3.330 -7.690 1.00 1.00 C ATOM 951 C GLU A 59 -10.903 -4.699 -7.712 1.00 1.00 C ATOM 952 O GLU A 59 -11.468 -5.694 -8.168 1.00 1.00 O ATOM 953 CB GLU A 59 -12.752 -3.322 -6.662 1.00 1.00 C ATOM 954 CG GLU A 59 -13.920 -4.217 -7.138 1.00 1.00 C ATOM 955 CD GLU A 59 -15.071 -4.179 -6.132 1.00 1.00 C ATOM 956 OE1 GLU A 59 -14.796 -4.077 -4.949 1.00 1.00 O ATOM 957 OE2 GLU A 59 -16.210 -4.259 -6.563 1.00 1.00 O ATOM 0 H GLU A 59 -12.971 -3.444 -9.277 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.838 -2.596 -7.399 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.390 -3.674 -5.696 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -13.107 -2.302 -6.517 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.271 -3.879 -8.113 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.572 -5.243 -7.263 1.00 1.00 H new ATOM 964 N HIS A 60 -9.676 -4.730 -7.203 1.00 1.00 N ATOM 965 CA HIS A 60 -8.905 -5.962 -7.137 1.00 1.00 C ATOM 966 C HIS A 60 -8.002 -5.950 -5.913 1.00 1.00 C ATOM 967 O HIS A 60 -7.611 -4.896 -5.412 1.00 1.00 O ATOM 968 CB HIS A 60 -8.089 -6.133 -8.435 1.00 1.00 C ATOM 969 CG HIS A 60 -7.403 -7.474 -8.438 1.00 1.00 C ATOM 970 ND1 HIS A 60 -8.113 -8.656 -8.327 1.00 1.00 N ATOM 971 CD2 HIS A 60 -6.082 -7.830 -8.515 1.00 1.00 C ATOM 972 CE1 HIS A 60 -7.225 -9.663 -8.338 1.00 1.00 C ATOM 973 NE2 HIS A 60 -5.972 -9.215 -8.450 1.00 1.00 N ATOM 0 H HIS A 60 -9.194 -3.912 -6.829 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.582 -6.811 -7.043 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -8.746 -6.049 -9.301 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.349 -5.337 -8.517 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -5.255 -7.142 -8.611 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -7.491 -10.707 -8.265 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -5.117 -9.770 -8.481 1.00 1.00 H new ATOM 982 N THR A 61 -7.648 -7.137 -5.433 1.00 1.00 N ATOM 983 CA THR A 61 -6.763 -7.283 -4.271 1.00 1.00 C ATOM 984 C THR A 61 -5.317 -7.216 -4.736 1.00 1.00 C ATOM 985 O THR A 61 -4.977 -7.735 -5.799 1.00 1.00 O ATOM 986 CB THR A 61 -7.028 -8.618 -3.544 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.402 -8.690 -3.215 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.193 -8.701 -2.245 1.00 1.00 C ATOM 0 H THR A 61 -7.961 -8.022 -5.831 1.00 1.00 H new ATOM 0 HA THR A 61 -6.961 -6.473 -3.568 1.00 1.00 H new ATOM 0 HB THR A 61 -6.746 -9.444 -4.197 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.584 -9.535 -2.754 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.392 -9.649 -1.745 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.133 -8.635 -2.489 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.465 -7.878 -1.584 1.00 1.00 H new ATOM 996 N VAL A 62 -4.456 -6.570 -3.956 1.00 1.00 N ATOM 997 CA VAL A 62 -3.038 -6.429 -4.331 1.00 1.00 C ATOM 998 C VAL A 62 -2.139 -6.529 -3.096 1.00 1.00 C ATOM 999 O VAL A 62 -2.529 -6.223 -1.969 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.831 -5.076 -5.062 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.593 -5.049 -6.426 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.330 -3.919 -4.166 1.00 1.00 C ATOM 0 H VAL A 62 -4.704 -6.137 -3.067 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.762 -7.240 -5.005 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.766 -4.956 -5.262 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.429 -4.089 -6.915 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.222 -5.850 -7.066 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.659 -5.189 -6.250 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -3.183 -2.970 -4.682 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.390 -4.056 -3.952 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.769 -3.914 -3.232 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.906 -6.966 -3.329 1.00 1.00 N ATOM 1013 CA LYS A 63 0.099 -7.135 -2.259 1.00 1.00 C ATOM 1014 C LYS A 63 1.096 -5.956 -2.258 1.00 1.00 C ATOM 1015 O LYS A 63 1.466 -5.386 -3.283 1.00 1.00 O ATOM 1016 CB LYS A 63 0.827 -8.520 -2.421 1.00 1.00 C ATOM 1017 CG LYS A 63 0.956 -8.953 -3.908 1.00 1.00 C ATOM 1018 CD LYS A 63 1.752 -7.907 -4.738 1.00 1.00 C ATOM 1019 CE LYS A 63 2.126 -8.498 -6.108 1.00 1.00 C ATOM 1020 NZ LYS A 63 0.875 -8.934 -6.786 1.00 1.00 N ATOM 0 H LYS A 63 -0.566 -7.215 -4.258 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.403 -7.132 -1.291 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.820 -8.459 -1.976 1.00 1.00 H new ATOM 0 HB3 LYS A 63 0.277 -9.283 -1.870 1.00 1.00 H new ATOM 0 HG2 LYS A 63 1.455 -9.920 -3.965 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.037 -9.081 -4.338 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.154 -7.006 -4.872 1.00 1.00 H new ATOM 0 HD3 LYS A 63 2.654 -7.614 -4.201 1.00 1.00 H new ATOM 0 HE2 LYS A 63 2.647 -7.755 -6.713 1.00 1.00 H new ATOM 0 HE3 LYS A 63 2.805 -9.342 -5.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 1.045 -9.016 -7.809 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 0.580 -9.857 -6.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 0.125 -8.234 -6.614 1.00 1.00 H new ATOM 1034 N ILE A 64 1.533 -5.590 -1.057 1.00 1.00 N ATOM 1035 CA ILE A 64 2.472 -4.479 -0.878 1.00 1.00 C ATOM 1036 C ILE A 64 3.839 -4.921 -1.389 1.00 1.00 C ATOM 1037 O ILE A 64 4.259 -6.051 -1.148 1.00 1.00 O ATOM 1038 CB ILE A 64 2.535 -4.079 0.627 1.00 1.00 C ATOM 1039 CG1 ILE A 64 1.100 -4.127 1.258 1.00 1.00 C ATOM 1040 CG2 ILE A 64 3.130 -2.653 0.783 1.00 1.00 C ATOM 1041 CD1 ILE A 64 0.071 -3.309 0.444 1.00 1.00 C ATOM 0 H ILE A 64 1.253 -6.046 -0.189 1.00 1.00 H new ATOM 0 HA ILE A 64 2.145 -3.604 -1.440 1.00 1.00 H new ATOM 0 HB ILE A 64 3.178 -4.788 1.147 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.768 -5.163 1.321 1.00 1.00 H new ATOM 0 HG13 ILE A 64 1.141 -3.743 2.277 1.00 1.00 H new ATOM 0 HG21 ILE A 64 3.167 -2.388 1.840 1.00 1.00 H new ATOM 0 HG22 ILE A 64 4.138 -2.632 0.368 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.503 -1.937 0.251 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -0.906 -3.374 0.922 1.00 1.00 H new ATOM 0 HD12 ILE A 64 0.386 -2.266 0.403 1.00 1.00 H new ATOM 0 HD13 ILE A 64 0.007 -3.709 -0.568 1.00 1.00 H new ATOM 1053 N TYR A 65 4.555 -4.054 -2.099 1.00 1.00 N ATOM 1054 CA TYR A 65 5.869 -4.381 -2.642 1.00 1.00 C ATOM 1055 C TYR A 65 6.809 -4.818 -1.527 1.00 1.00 C ATOM 1056 O TYR A 65 7.770 -5.549 -1.772 1.00 1.00 O ATOM 1057 CB TYR A 65 6.444 -3.156 -3.372 1.00 1.00 C ATOM 1058 CG TYR A 65 7.723 -3.561 -4.131 1.00 1.00 C ATOM 1059 CD1 TYR A 65 8.969 -3.572 -3.475 1.00 1.00 C ATOM 1060 CD2 TYR A 65 7.657 -3.927 -5.495 1.00 1.00 C ATOM 1061 CE1 TYR A 65 10.128 -3.952 -4.168 1.00 1.00 C ATOM 1062 CE2 TYR A 65 8.823 -4.303 -6.179 1.00 1.00 C ATOM 1063 CZ TYR A 65 10.055 -4.305 -5.519 1.00 1.00 C ATOM 1064 OH TYR A 65 11.199 -4.671 -6.196 1.00 1.00 O ATOM 0 H TYR A 65 4.241 -3.107 -2.314 1.00 1.00 H new ATOM 0 HA TYR A 65 5.767 -5.205 -3.349 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.707 -2.756 -4.068 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.669 -2.365 -2.656 1.00 1.00 H new ATOM 0 HD1 TYR A 65 9.033 -3.287 -2.435 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.708 -3.917 -6.011 1.00 1.00 H new ATOM 0 HE1 TYR A 65 11.079 -3.972 -3.657 1.00 1.00 H new ATOM 0 HE2 TYR A 65 8.768 -4.592 -7.218 1.00 1.00 H new ATOM 0 HH TYR A 65 10.974 -4.887 -7.125 1.00 1.00 H new ATOM 1074 N TRP A 66 6.540 -4.378 -0.303 1.00 1.00 N ATOM 1075 CA TRP A 66 7.336 -4.718 0.874 1.00 1.00 C ATOM 1076 C TRP A 66 8.795 -4.259 0.710 1.00 1.00 C ATOM 1077 O TRP A 66 9.506 -4.747 -0.169 1.00 1.00 O ATOM 1078 CB TRP A 66 7.251 -6.246 1.109 1.00 1.00 C ATOM 1079 CG TRP A 66 7.895 -6.646 2.403 1.00 1.00 C ATOM 1080 CD1 TRP A 66 7.279 -6.682 3.608 1.00 1.00 C ATOM 1081 CD2 TRP A 66 9.261 -7.095 2.627 1.00 1.00 C ATOM 1082 NE1 TRP A 66 8.185 -7.119 4.556 1.00 1.00 N ATOM 1083 CE2 TRP A 66 9.422 -7.377 4.001 1.00 1.00 C ATOM 1084 CE3 TRP A 66 10.370 -7.269 1.777 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 10.636 -7.825 4.521 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 11.596 -7.721 2.295 1.00 1.00 C ATOM 1087 CH2 TRP A 66 11.729 -7.996 3.666 1.00 1.00 C ATOM 0 H TRP A 66 5.751 -3.766 -0.096 1.00 1.00 H new ATOM 0 HA TRP A 66 6.937 -4.197 1.744 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.206 -6.556 1.112 1.00 1.00 H new ATOM 0 HB3 TRP A 66 7.736 -6.768 0.285 1.00 1.00 H new ATOM 0 HD1 TRP A 66 6.250 -6.414 3.797 1.00 1.00 H new ATOM 0 HE1 TRP A 66 7.966 -7.236 5.545 1.00 1.00 H new ATOM 0 HE3 TRP A 66 10.278 -7.054 0.723 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 10.731 -8.038 5.575 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 12.440 -7.858 1.635 1.00 1.00 H new ATOM 0 HH2 TRP A 66 12.674 -8.339 4.059 1.00 1.00 H new ATOM 1098 N GLN A 67 9.234 -3.335 1.558 1.00 1.00 N ATOM 1099 CA GLN A 67 10.615 -2.837 1.498 1.00 1.00 C ATOM 1100 C GLN A 67 11.074 -2.349 2.866 1.00 1.00 C ATOM 1101 O GLN A 67 10.728 -1.249 3.296 1.00 1.00 O ATOM 1102 CB GLN A 67 10.699 -1.689 0.480 1.00 1.00 C ATOM 1103 CG GLN A 67 12.164 -1.229 0.273 1.00 1.00 C ATOM 1104 CD GLN A 67 12.235 -0.108 -0.762 1.00 1.00 C ATOM 1105 OE1 GLN A 67 11.739 0.989 -0.523 1.00 1.00 O ATOM 1106 NE2 GLN A 67 12.825 -0.321 -1.901 1.00 1.00 N ATOM 0 H GLN A 67 8.663 -2.915 2.292 1.00 1.00 H new ATOM 0 HA GLN A 67 11.269 -3.653 1.189 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.279 -2.013 -0.472 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.097 -0.849 0.825 1.00 1.00 H new ATOM 0 HG2 GLN A 67 12.580 -0.884 1.220 1.00 1.00 H new ATOM 0 HG3 GLN A 67 12.773 -2.072 -0.054 1.00 1.00 H new ATOM 0 HE21 GLN A 67 13.237 -1.233 -2.099 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.876 0.424 -2.596 1.00 1.00 H new ATOM 1115 N LEU A 68 11.868 -3.165 3.552 1.00 1.00 N ATOM 1116 CA LEU A 68 12.399 -2.788 4.856 1.00 1.00 C ATOM 1117 C LEU A 68 13.640 -3.655 5.219 1.00 1.00 C ATOM 1118 O LEU A 68 13.636 -4.862 4.973 1.00 1.00 O ATOM 1119 CB LEU A 68 11.324 -2.899 5.984 1.00 1.00 C ATOM 1120 CG LEU A 68 10.510 -4.239 5.877 1.00 1.00 C ATOM 1121 CD1 LEU A 68 9.838 -4.555 7.237 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.421 -4.205 4.723 1.00 1.00 C ATOM 0 H LEU A 68 12.157 -4.088 3.228 1.00 1.00 H new ATOM 0 HA LEU A 68 12.700 -1.743 4.785 1.00 1.00 H new ATOM 0 HB2 LEU A 68 11.811 -2.845 6.958 1.00 1.00 H new ATOM 0 HB3 LEU A 68 10.641 -2.052 5.921 1.00 1.00 H new ATOM 0 HG LEU A 68 11.218 -5.027 5.620 1.00 1.00 H new ATOM 0 HD11 LEU A 68 9.275 -5.485 7.157 1.00 1.00 H new ATOM 0 HD12 LEU A 68 10.604 -4.659 8.006 1.00 1.00 H new ATOM 0 HD13 LEU A 68 9.162 -3.743 7.506 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.890 -5.156 4.696 1.00 1.00 H new ATOM 0 HD22 LEU A 68 8.712 -3.399 4.915 1.00 1.00 H new ATOM 0 HD23 LEU A 68 9.912 -4.036 3.765 1.00 1.00 H new ATOM 1134 N PRO A 69 14.670 -3.082 5.779 1.00 1.00 N ATOM 1135 CA PRO A 69 15.902 -3.857 6.149 1.00 1.00 C ATOM 1136 C PRO A 69 15.745 -4.559 7.510 1.00 1.00 C ATOM 1137 O PRO A 69 14.660 -4.912 7.968 1.00 1.00 O ATOM 1138 CB PRO A 69 16.992 -2.740 6.137 1.00 1.00 C ATOM 1139 CG PRO A 69 16.286 -1.501 6.629 1.00 1.00 C ATOM 1140 CD PRO A 69 14.823 -1.643 6.157 1.00 1.00 C ATOM 0 HA PRO A 69 16.140 -4.683 5.478 1.00 1.00 H new ATOM 0 HB2 PRO A 69 17.830 -3.000 6.783 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.396 -2.593 5.135 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.342 -1.423 7.715 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.744 -0.600 6.221 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.126 -1.368 6.948 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.618 -0.989 5.309 1.00 1.00 H new ATOM 1148 N ALA A 70 16.891 -4.754 8.153 1.00 1.00 N ATOM 1149 CA ALA A 70 16.945 -5.404 9.462 1.00 1.00 C ATOM 1150 C ALA A 70 16.702 -6.901 9.318 1.00 1.00 C ATOM 1151 O ALA A 70 16.663 -7.457 8.220 1.00 1.00 O ATOM 1152 CB ALA A 70 15.925 -4.745 10.453 1.00 1.00 C ATOM 0 H ALA A 70 17.801 -4.470 7.789 1.00 1.00 H new ATOM 0 HA ALA A 70 17.941 -5.266 9.882 1.00 1.00 H new ATOM 0 HB1 ALA A 70 15.983 -5.245 11.420 1.00 1.00 H new ATOM 0 HB2 ALA A 70 16.167 -3.689 10.575 1.00 1.00 H new ATOM 0 HB3 ALA A 70 14.915 -4.842 10.054 1.00 1.00 H new ATOM 1158 N GLY A 71 16.512 -7.565 10.454 1.00 1.00 N ATOM 1159 CA GLY A 71 16.259 -9.029 10.510 1.00 1.00 C ATOM 1160 C GLY A 71 14.801 -9.286 10.855 1.00 1.00 C ATOM 1161 O GLY A 71 14.487 -10.035 11.780 1.00 1.00 O ATOM 0 H GLY A 71 16.526 -7.117 11.370 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.501 -9.486 9.551 1.00 1.00 H new ATOM 0 HA3 GLY A 71 16.906 -9.491 11.256 1.00 1.00 H new ATOM 1165 N ILE A 72 13.905 -8.648 10.109 1.00 1.00 N ATOM 1166 CA ILE A 72 12.445 -8.790 10.320 1.00 1.00 C ATOM 1167 C ILE A 72 11.898 -9.931 9.469 1.00 1.00 C ATOM 1168 O ILE A 72 12.282 -10.136 8.319 1.00 1.00 O ATOM 1169 CB ILE A 72 11.690 -7.419 9.991 1.00 1.00 C ATOM 1170 CG1 ILE A 72 11.334 -6.632 11.310 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.367 -7.631 9.150 1.00 1.00 C ATOM 1172 CD1 ILE A 72 12.575 -6.124 12.055 1.00 1.00 C ATOM 0 H ILE A 72 14.154 -8.020 9.344 1.00 1.00 H new ATOM 0 HA ILE A 72 12.266 -9.027 11.369 1.00 1.00 H new ATOM 0 HB ILE A 72 12.387 -6.838 9.388 1.00 1.00 H new ATOM 0 HG12 ILE A 72 10.694 -5.785 11.061 1.00 1.00 H new ATOM 0 HG13 ILE A 72 10.760 -7.281 11.971 1.00 1.00 H new ATOM 0 HG21 ILE A 72 9.899 -6.665 8.958 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.611 -8.111 8.202 1.00 1.00 H new ATOM 0 HG23 ILE A 72 9.678 -8.263 9.710 1.00 1.00 H new ATOM 0 HD11 ILE A 72 12.267 -5.590 12.954 1.00 1.00 H new ATOM 0 HD12 ILE A 72 13.204 -6.970 12.333 1.00 1.00 H new ATOM 0 HD13 ILE A 72 13.137 -5.450 11.408 1.00 1.00 H new ATOM 1184 N GLU A 73 10.960 -10.669 10.053 1.00 1.00 N ATOM 1185 CA GLU A 73 10.287 -11.782 9.373 1.00 1.00 C ATOM 1186 C GLU A 73 8.829 -11.395 9.055 1.00 1.00 C ATOM 1187 O GLU A 73 8.090 -10.843 9.870 1.00 1.00 O ATOM 1188 CB GLU A 73 10.308 -13.009 10.296 1.00 1.00 C ATOM 1189 CG GLU A 73 11.769 -13.430 10.567 1.00 1.00 C ATOM 1190 CD GLU A 73 11.828 -14.648 11.488 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.791 -15.247 11.737 1.00 1.00 O ATOM 1192 OE2 GLU A 73 12.918 -14.964 11.936 1.00 1.00 O ATOM 0 H GLU A 73 10.641 -10.517 11.010 1.00 1.00 H new ATOM 0 HA GLU A 73 10.802 -12.011 8.440 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.805 -12.778 11.235 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.761 -13.832 9.836 1.00 1.00 H new ATOM 0 HG2 GLU A 73 12.266 -13.659 9.624 1.00 1.00 H new ATOM 0 HG3 GLU A 73 12.312 -12.601 11.020 1.00 1.00 H new ATOM 1199 N MET A 74 8.411 -11.720 7.835 1.00 1.00 N ATOM 1200 CA MET A 74 7.033 -11.414 7.401 1.00 1.00 C ATOM 1201 C MET A 74 6.081 -12.502 7.909 1.00 1.00 C ATOM 1202 O MET A 74 6.003 -13.599 7.356 1.00 1.00 O ATOM 1203 CB MET A 74 6.998 -11.350 5.874 1.00 1.00 C ATOM 1204 CG MET A 74 7.858 -10.170 5.374 1.00 1.00 C ATOM 1205 SD MET A 74 7.943 -10.183 3.559 1.00 1.00 S ATOM 1206 CE MET A 74 6.206 -9.830 3.151 1.00 1.00 C ATOM 0 H MET A 74 8.987 -12.187 7.134 1.00 1.00 H new ATOM 0 HA MET A 74 6.716 -10.455 7.810 1.00 1.00 H new ATOM 0 HB2 MET A 74 7.370 -12.285 5.454 1.00 1.00 H new ATOM 0 HB3 MET A 74 5.970 -11.233 5.530 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.432 -9.228 5.719 1.00 1.00 H new ATOM 0 HG3 MET A 74 8.862 -10.238 5.793 1.00 1.00 H new ATOM 0 HE1 MET A 74 6.151 -9.357 2.170 1.00 1.00 H new ATOM 0 HE2 MET A 74 5.639 -10.761 3.137 1.00 1.00 H new ATOM 0 HE3 MET A 74 5.785 -9.160 3.901 1.00 1.00 H new ATOM 1216 N VAL A 75 5.341 -12.197 8.969 1.00 1.00 N ATOM 1217 CA VAL A 75 4.402 -13.174 9.541 1.00 1.00 C ATOM 1218 C VAL A 75 3.390 -13.573 8.482 1.00 1.00 C ATOM 1219 O VAL A 75 3.487 -14.650 7.895 1.00 1.00 O ATOM 1220 CB VAL A 75 3.671 -12.561 10.768 1.00 1.00 C ATOM 1221 CG1 VAL A 75 2.618 -13.547 11.368 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.712 -12.182 11.853 1.00 1.00 C ATOM 0 H VAL A 75 5.366 -11.297 9.449 1.00 1.00 H new ATOM 0 HA VAL A 75 4.954 -14.055 9.870 1.00 1.00 H new ATOM 0 HB VAL A 75 3.138 -11.671 10.433 1.00 1.00 H new ATOM 0 HG11 VAL A 75 2.129 -13.081 12.224 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.872 -13.788 10.611 1.00 1.00 H new ATOM 0 HG13 VAL A 75 3.117 -14.461 11.689 1.00 1.00 H new ATOM 0 HG21 VAL A 75 4.200 -11.752 12.714 1.00 1.00 H new ATOM 0 HG22 VAL A 75 5.256 -13.074 12.163 1.00 1.00 H new ATOM 0 HG23 VAL A 75 5.413 -11.453 11.446 1.00 1.00 H new ATOM 1232 N SER A 76 2.391 -12.726 8.255 1.00 1.00 N ATOM 1233 CA SER A 76 1.349 -13.006 7.281 1.00 1.00 C ATOM 1234 C SER A 76 0.490 -11.778 7.108 1.00 1.00 C ATOM 1235 O SER A 76 0.443 -10.915 7.985 1.00 1.00 O ATOM 1236 CB SER A 76 0.459 -14.128 7.814 1.00 1.00 C ATOM 1237 OG SER A 76 1.176 -15.355 7.861 1.00 1.00 O ATOM 0 H SER A 76 2.284 -11.834 8.738 1.00 1.00 H new ATOM 0 HA SER A 76 1.805 -13.292 6.333 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.099 -13.872 8.811 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.419 -14.237 7.177 1.00 1.00 H new ATOM 0 HG SER A 76 2.048 -15.241 7.428 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.209 -11.701 5.980 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.142 -10.587 5.729 1.00 1.00 C ATOM 1245 C ILE A 77 -0.430 -9.211 5.843 1.00 1.00 C ATOM 1246 O ILE A 77 0.747 -9.202 6.209 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.410 -10.734 6.730 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.193 -9.995 8.125 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -2.794 -12.221 6.952 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.487 -9.857 8.904 1.00 1.00 C ATOM 0 H ILE A 77 -0.154 -12.386 5.226 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.510 -10.634 4.704 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.241 -10.233 6.233 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.469 -10.551 8.721 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -1.769 -9.006 7.949 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.647 -12.279 7.628 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.056 -12.676 5.997 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.949 -12.754 7.388 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.291 -9.348 9.848 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.203 -9.278 8.321 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.898 -10.846 9.104 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.084 -8.099 5.643 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.514 -7.973 5.192 1.00 1.00 C ATOM 1264 C PRO A 78 -2.618 -7.648 3.741 1.00 1.00 C ATOM 1265 O PRO A 78 -1.640 -7.353 3.055 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.037 -6.873 6.114 1.00 1.00 C ATOM 1267 CG PRO A 78 -1.883 -5.900 6.202 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.579 -6.738 5.909 1.00 1.00 C ATOM 0 HA PRO A 78 -3.094 -8.893 5.268 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -3.930 -6.399 5.706 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.305 -7.266 7.095 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.998 -5.093 5.478 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.836 -5.439 7.189 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.032 -6.340 5.054 1.00 1.00 H new ATOM 0 HD3 PRO A 78 0.104 -6.724 6.758 1.00 1.00 H new ATOM 1276 N ASP A 79 -3.850 -7.704 3.247 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.196 -7.457 1.876 1.00 1.00 C ATOM 1278 C ASP A 79 -4.984 -6.179 1.823 1.00 1.00 C ATOM 1279 O ASP A 79 -5.605 -5.721 2.784 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.022 -8.672 1.323 1.00 1.00 C ATOM 1281 CG ASP A 79 -5.966 -9.273 2.386 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -5.474 -9.901 3.309 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -7.171 -9.112 2.243 1.00 1.00 O ATOM 0 H ASP A 79 -4.659 -7.933 3.825 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.308 -7.352 1.253 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.607 -8.348 0.462 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.337 -9.444 0.971 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.961 -5.548 0.655 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.672 -4.278 0.462 1.00 1.00 C ATOM 1290 C VAL A 80 -6.615 -4.381 -0.733 1.00 1.00 C ATOM 1291 O VAL A 80 -6.289 -4.940 -1.779 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.651 -3.139 0.261 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -5.377 -1.772 0.152 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.658 -3.112 1.450 1.00 1.00 C ATOM 0 H VAL A 80 -4.464 -5.886 -0.169 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.269 -4.058 1.347 1.00 1.00 H new ATOM 0 HB VAL A 80 -4.104 -3.318 -0.665 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.642 -0.980 0.011 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -6.060 -1.789 -0.697 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -5.940 -1.585 1.066 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.938 -2.306 1.305 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -4.206 -2.946 2.378 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -3.130 -4.064 1.505 1.00 1.00 H new ATOM 1304 N THR A 81 -7.805 -3.809 -0.575 1.00 1.00 N ATOM 1305 CA THR A 81 -8.825 -3.803 -1.635 1.00 1.00 C ATOM 1306 C THR A 81 -9.462 -2.404 -1.725 1.00 1.00 C ATOM 1307 O THR A 81 -9.880 -1.823 -0.723 1.00 1.00 O ATOM 1308 CB THR A 81 -9.910 -4.862 -1.330 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.282 -6.099 -1.024 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.843 -5.051 -2.546 1.00 1.00 C ATOM 0 H THR A 81 -8.094 -3.338 0.282 1.00 1.00 H new ATOM 0 HA THR A 81 -8.357 -4.047 -2.589 1.00 1.00 H new ATOM 0 HB THR A 81 -10.505 -4.522 -0.482 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.966 -6.773 -0.828 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.599 -5.800 -2.311 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.330 -4.105 -2.781 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.259 -5.382 -3.405 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.546 -1.877 -2.942 1.00 1.00 N ATOM 1319 CA TYR A 82 -10.144 -0.546 -3.162 1.00 1.00 C ATOM 1320 C TYR A 82 -10.843 -0.483 -4.501 1.00 1.00 C ATOM 1321 O TYR A 82 -10.901 -1.455 -5.256 1.00 1.00 O ATOM 1322 CB TYR A 82 -9.054 0.536 -3.065 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.960 0.300 -4.126 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -6.912 -0.599 -3.863 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -7.993 0.978 -5.363 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -5.911 -0.812 -4.817 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -6.982 0.758 -6.312 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.946 -0.135 -6.036 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.953 -0.345 -6.970 1.00 1.00 O ATOM 0 H TYR A 82 -9.214 -2.338 -3.789 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.891 -0.366 -2.389 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.498 1.521 -3.206 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.611 0.525 -2.069 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -6.879 -1.127 -2.921 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -8.796 1.666 -5.580 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -5.108 -1.503 -4.609 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -7.006 1.281 -7.257 1.00 1.00 H new ATOM 0 HH TYR A 82 -5.129 0.203 -7.763 1.00 1.00 H new ATOM 1339 N THR A 83 -11.403 0.676 -4.832 1.00 1.00 N ATOM 1340 CA THR A 83 -12.132 0.850 -6.130 1.00 1.00 C ATOM 1341 C THR A 83 -11.500 1.955 -6.964 1.00 1.00 C ATOM 1342 O THR A 83 -11.357 3.091 -6.515 1.00 1.00 O ATOM 1343 CB THR A 83 -13.614 1.196 -5.861 1.00 1.00 C ATOM 1344 OG1 THR A 83 -14.147 0.232 -4.964 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.432 1.173 -7.179 1.00 1.00 C ATOM 0 H THR A 83 -11.380 1.510 -4.245 1.00 1.00 H new ATOM 0 HA THR A 83 -12.068 -0.087 -6.683 1.00 1.00 H new ATOM 0 HB THR A 83 -13.676 2.197 -5.433 1.00 1.00 H new ATOM 0 HG1 THR A 83 -15.087 0.439 -4.782 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.472 1.419 -6.966 1.00 1.00 H new ATOM 0 HG22 THR A 83 -14.021 1.904 -7.875 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.378 0.179 -7.623 1.00 1.00 H new ATOM 1353 N LEU A 84 -11.132 1.629 -8.199 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.520 2.607 -9.111 1.00 1.00 C ATOM 1355 C LEU A 84 -11.537 3.043 -10.166 1.00 1.00 C ATOM 1356 O LEU A 84 -12.244 2.222 -10.750 1.00 1.00 O ATOM 1357 CB LEU A 84 -9.288 1.983 -9.799 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.469 3.047 -10.606 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.950 4.211 -9.679 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -7.269 2.353 -11.311 1.00 1.00 C ATOM 0 H LEU A 84 -11.244 0.697 -8.597 1.00 1.00 H new ATOM 0 HA LEU A 84 -10.206 3.479 -8.537 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.646 1.524 -9.047 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.611 1.188 -10.471 1.00 1.00 H new ATOM 0 HG LEU A 84 -9.131 3.490 -11.350 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -7.387 4.928 -10.276 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.799 4.713 -9.215 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.304 3.798 -8.904 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.699 3.093 -11.873 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.625 1.891 -10.563 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.640 1.588 -11.993 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.615 4.345 -10.423 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.545 4.904 -11.431 1.00 1.00 C ATOM 1374 C LYS A 85 -11.816 5.871 -12.354 1.00 1.00 C ATOM 1375 O LYS A 85 -10.743 6.394 -12.053 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.708 5.615 -10.717 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.521 4.584 -9.900 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.706 5.266 -9.195 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.504 4.232 -8.381 1.00 1.00 C ATOM 1380 NZ LYS A 85 -17.640 4.915 -7.719 1.00 1.00 N ATOM 0 H LYS A 85 -11.046 5.047 -9.950 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.941 4.091 -12.039 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.323 6.394 -10.059 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -14.352 6.105 -11.447 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.887 3.797 -10.559 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.877 4.107 -9.161 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.342 6.056 -8.537 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -16.355 5.739 -9.932 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.869 3.439 -9.034 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -15.862 3.761 -7.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -18.186 4.224 -7.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.278 5.657 -7.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -18.255 5.345 -8.440 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.422 6.123 -13.510 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.857 7.022 -14.520 1.00 1.00 C ATOM 1396 C ALA A 86 -12.020 8.481 -14.099 1.00 1.00 C ATOM 1397 O ALA A 86 -13.004 8.861 -13.466 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.567 6.798 -15.864 1.00 1.00 C ATOM 0 H ALA A 86 -13.317 5.712 -13.776 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.794 6.804 -14.620 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -12.146 7.467 -16.614 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.428 5.764 -16.181 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.632 7.003 -15.752 1.00 1.00 H new ATOM 1404 N LYS A 87 -11.036 9.301 -14.457 1.00 1.00 N ATOM 1405 CA LYS A 87 -11.063 10.723 -14.135 1.00 1.00 C ATOM 1406 C LYS A 87 -12.311 11.375 -14.732 1.00 1.00 C ATOM 1407 O LYS A 87 -12.863 10.940 -15.743 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.788 11.402 -14.673 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.681 12.854 -14.154 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.389 13.506 -14.673 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.262 14.944 -14.145 1.00 1.00 C ATOM 1412 NZ LYS A 87 -7.011 15.552 -14.669 1.00 1.00 N ATOM 0 H LYS A 87 -10.208 9.003 -14.972 1.00 1.00 H new ATOM 0 HA LYS A 87 -11.096 10.845 -13.052 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.910 10.835 -14.364 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.801 11.400 -15.763 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -10.546 13.431 -14.482 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -9.689 12.860 -13.064 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -7.526 12.919 -14.358 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -8.390 13.511 -15.763 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -9.124 15.535 -14.455 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -8.251 14.944 -13.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -6.923 16.525 -14.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -6.194 14.992 -14.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -7.040 15.565 -15.709 1.00 1.00 H new