USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 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 Single : A 11 THR OG1 : rot 180:sc= 0.00195 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1) USER MOD Single : A 19 TYR OH : rot -172:sc= 0.967 USER MOD Single : A 27 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=0.0017) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.061 K(o=-0.061,f=-1.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.301 K(o=0.3,f=-8.5!) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= -0.345 (180deg=-1.57!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 176:sc= -1.01 (180deg=-1.04) USER MOD Single : A 52 SER OG : rot 178:sc= 0.268 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.743 F(o=-1.5,f=-0.74) USER MOD Single : A 70 MET CE :methyl 152:sc= -2.28! (180deg=-2.72) USER MOD Single : A 80 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Single : A 81 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.77) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.41! X(o=-2.4!,f=-2.7) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 91 ASN : amide:sc= -0.0017 K(o=-0.0017,f=-1) USER MOD Single : A 93 SER OG : rot -49:sc= 0.098 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -41:sc= 1.2 USER MOD Single : A 101 SER OG : rot 180:sc= -0.459 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0.0575 (180deg=0.032) USER MOD Single : A 110 ASN : amide:sc= -0.484 K(o=-0.48,f=-7.1!) USER MOD Single : A 115 ASN : amide:sc= -2.64! C(o=-2.6!,f=-5.5!) USER MOD Single : A 116 GLN : amide:sc= -0.0961 K(o=-0.096,f=-1.6!) USER MOD Single : A 117 MET CE :methyl -127:sc= -3.48! (180deg=-10.7!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.416 -10.965 11.773 1.00 0.00 N ATOM 89 CA PHE A 10 1.135 -9.714 11.078 1.00 0.00 C ATOM 90 C PHE A 10 1.279 -8.523 12.021 1.00 0.00 C ATOM 91 O PHE A 10 0.785 -7.430 11.740 1.00 0.00 O ATOM 92 CB PHE A 10 -0.275 -9.742 10.484 1.00 0.00 C ATOM 93 CG PHE A 10 -0.443 -10.751 9.384 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.840 -12.047 9.670 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.203 -10.403 8.065 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.995 -12.978 8.660 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.357 -11.329 7.051 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.753 -12.619 7.349 1.00 0.00 C ATOM 0 HA PHE A 10 1.860 -9.605 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.990 -9.959 11.277 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.518 -8.752 10.098 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.031 -12.333 10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.108 -9.397 7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.305 -13.985 8.896 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.168 -11.045 6.026 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.873 -13.345 6.558 1.00 0.00 H new ATOM 108 N THR A 11 1.959 -8.743 13.142 1.00 0.00 N ATOM 109 CA THR A 11 2.167 -7.690 14.128 1.00 0.00 C ATOM 110 C THR A 11 3.227 -6.700 13.660 1.00 0.00 C ATOM 111 O THR A 11 4.281 -7.095 13.160 1.00 0.00 O ATOM 112 CB THR A 11 2.589 -8.272 15.491 1.00 0.00 C ATOM 113 OG1 THR A 11 3.685 -9.176 15.318 1.00 0.00 O ATOM 114 CG2 THR A 11 1.427 -8.996 16.153 1.00 0.00 C ATOM 0 H THR A 11 2.375 -9.641 13.389 1.00 0.00 H new ATOM 0 HA THR A 11 1.215 -7.171 14.242 1.00 0.00 H new ATOM 0 HB THR A 11 2.896 -7.448 16.135 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.949 -9.541 16.189 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.749 -9.398 17.114 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.605 -8.298 16.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.093 -9.812 15.511 1.00 0.00 H new ATOM 122 N ASP A 12 2.943 -5.413 13.827 1.00 0.00 N ATOM 123 CA ASP A 12 3.874 -4.366 13.423 1.00 0.00 C ATOM 124 C ASP A 12 5.318 -4.811 13.636 1.00 0.00 C ATOM 125 O ASP A 12 6.188 -4.542 12.809 1.00 0.00 O ATOM 126 CB ASP A 12 3.602 -3.081 14.207 1.00 0.00 C ATOM 127 CG ASP A 12 2.132 -2.901 14.529 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.331 -2.747 13.583 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.782 -2.914 15.728 1.00 0.00 O ATOM 0 H ASP A 12 2.076 -5.070 14.239 1.00 0.00 H new ATOM 0 HA ASP A 12 3.725 -4.172 12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.175 -3.096 15.134 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.952 -2.225 13.630 1.00 0.00 H new ATOM 134 N GLN A 13 5.563 -5.491 14.752 1.00 0.00 N ATOM 135 CA GLN A 13 6.902 -5.971 15.074 1.00 0.00 C ATOM 136 C GLN A 13 7.388 -6.971 14.030 1.00 0.00 C ATOM 137 O GLN A 13 8.484 -6.833 13.485 1.00 0.00 O ATOM 138 CB GLN A 13 6.915 -6.616 16.461 1.00 0.00 C ATOM 139 CG GLN A 13 8.275 -7.161 16.865 1.00 0.00 C ATOM 140 CD GLN A 13 8.243 -7.878 18.201 1.00 0.00 C ATOM 141 OE1 GLN A 13 7.220 -8.441 18.592 1.00 0.00 O ATOM 142 NE2 GLN A 13 9.366 -7.859 18.910 1.00 0.00 N ATOM 0 H GLN A 13 4.853 -5.722 15.447 1.00 0.00 H new ATOM 0 HA GLN A 13 7.578 -5.116 15.072 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.594 -5.880 17.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.187 -7.427 16.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.630 -7.848 16.097 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.991 -6.341 16.914 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.190 -7.380 18.547 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.404 -8.323 19.817 1.00 0.00 H new ATOM 151 N LYS A 14 6.566 -7.978 13.755 1.00 0.00 N ATOM 152 CA LYS A 14 6.911 -9.002 12.776 1.00 0.00 C ATOM 153 C LYS A 14 6.892 -8.430 11.362 1.00 0.00 C ATOM 154 O LYS A 14 7.506 -8.985 10.450 1.00 0.00 O ATOM 155 CB LYS A 14 5.938 -10.179 12.875 1.00 0.00 C ATOM 156 CG LYS A 14 6.234 -11.117 14.032 1.00 0.00 C ATOM 157 CD LYS A 14 7.325 -12.114 13.677 1.00 0.00 C ATOM 158 CE LYS A 14 7.400 -13.244 14.692 1.00 0.00 C ATOM 159 NZ LYS A 14 6.482 -14.364 14.343 1.00 0.00 N ATOM 0 H LYS A 14 5.656 -8.107 14.197 1.00 0.00 H new ATOM 0 HA LYS A 14 7.920 -9.353 12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.924 -9.793 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.968 -10.744 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.539 -10.537 14.903 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.326 -11.653 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.134 -12.526 12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.286 -11.602 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.423 -13.616 14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.147 -12.862 15.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.562 -15.114 15.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.503 -14.015 14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.739 -14.746 13.411 1.00 0.00 H new ATOM 173 N ILE A 15 6.185 -7.319 11.187 1.00 0.00 N ATOM 174 CA ILE A 15 6.089 -6.672 9.885 1.00 0.00 C ATOM 175 C ILE A 15 7.352 -5.876 9.572 1.00 0.00 C ATOM 176 O ILE A 15 7.975 -6.067 8.528 1.00 0.00 O ATOM 177 CB ILE A 15 4.872 -5.731 9.812 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.589 -6.494 10.149 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.772 -5.101 8.431 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.408 -5.594 10.438 1.00 0.00 C ATOM 0 H ILE A 15 5.670 -6.848 11.931 1.00 0.00 H new ATOM 0 HA ILE A 15 5.970 -7.465 9.147 1.00 0.00 H new ATOM 0 HB ILE A 15 5.002 -4.935 10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.339 -7.152 9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.771 -7.130 11.015 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.907 -4.439 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.676 -4.528 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.661 -5.884 7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.534 -6.203 10.669 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.639 -4.953 11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.199 -4.976 9.565 1.00 0.00 H new ATOM 192 N ARG A 16 7.724 -4.984 10.484 1.00 0.00 N ATOM 193 CA ARG A 16 8.913 -4.160 10.306 1.00 0.00 C ATOM 194 C ARG A 16 10.157 -5.028 10.146 1.00 0.00 C ATOM 195 O ARG A 16 11.068 -4.689 9.391 1.00 0.00 O ATOM 196 CB ARG A 16 9.087 -3.215 11.496 1.00 0.00 C ATOM 197 CG ARG A 16 9.312 -3.933 12.817 1.00 0.00 C ATOM 198 CD ARG A 16 9.529 -2.950 13.956 1.00 0.00 C ATOM 199 NE ARG A 16 10.934 -2.575 14.096 1.00 0.00 N ATOM 200 CZ ARG A 16 11.348 -1.525 14.796 1.00 0.00 C ATOM 201 NH1 ARG A 16 10.470 -0.750 15.417 1.00 0.00 N ATOM 202 NH2 ARG A 16 12.643 -1.250 14.877 1.00 0.00 N ATOM 0 H ARG A 16 7.219 -4.814 11.354 1.00 0.00 H new ATOM 0 HA ARG A 16 8.783 -3.570 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.932 -2.554 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.202 -2.585 11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.452 -4.565 13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.178 -4.590 12.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.931 -2.056 13.782 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.177 -3.392 14.888 1.00 0.00 H new ATOM 0 HE ARG A 16 11.635 -3.151 13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.473 -0.959 15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.791 0.056 15.954 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.321 -1.845 14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.960 -0.443 15.415 1.00 0.00 H new ATOM 216 N GLN A 17 10.188 -6.148 10.861 1.00 0.00 N ATOM 217 CA GLN A 17 11.321 -7.063 10.799 1.00 0.00 C ATOM 218 C GLN A 17 11.297 -7.872 9.506 1.00 0.00 C ATOM 219 O GLN A 17 12.343 -8.183 8.937 1.00 0.00 O ATOM 220 CB GLN A 17 11.310 -8.005 12.004 1.00 0.00 C ATOM 221 CG GLN A 17 11.931 -7.401 13.254 1.00 0.00 C ATOM 222 CD GLN A 17 12.493 -8.451 14.192 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.199 -9.640 14.059 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.307 -8.017 15.147 1.00 0.00 N ATOM 0 H GLN A 17 9.441 -6.443 11.490 1.00 0.00 H new ATOM 0 HA GLN A 17 12.236 -6.470 10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.281 -8.291 12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.847 -8.918 11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.727 -6.715 12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.179 -6.813 13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.523 -7.023 15.220 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.716 -8.678 15.808 1.00 0.00 H new ATOM 233 N ARG A 18 10.096 -8.210 9.049 1.00 0.00 N ATOM 234 CA ARG A 18 9.936 -8.985 7.824 1.00 0.00 C ATOM 235 C ARG A 18 10.338 -8.162 6.604 1.00 0.00 C ATOM 236 O ARG A 18 11.017 -8.658 5.704 1.00 0.00 O ATOM 237 CB ARG A 18 8.488 -9.457 7.679 1.00 0.00 C ATOM 238 CG ARG A 18 8.044 -9.626 6.235 1.00 0.00 C ATOM 239 CD ARG A 18 6.836 -10.544 6.128 1.00 0.00 C ATOM 240 NE ARG A 18 5.585 -9.834 6.381 1.00 0.00 N ATOM 241 CZ ARG A 18 5.063 -9.672 7.591 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.681 -10.168 8.655 1.00 0.00 N ATOM 243 NH2 ARG A 18 3.921 -9.014 7.740 1.00 0.00 N ATOM 0 H ARG A 18 9.220 -7.960 9.508 1.00 0.00 H new ATOM 0 HA ARG A 18 10.590 -9.855 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.371 -10.407 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.830 -8.740 8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.801 -8.652 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.866 -10.033 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.806 -10.989 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.939 -11.363 6.840 1.00 0.00 H new ATOM 0 HE ARG A 18 5.085 -9.441 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.559 -10.675 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.278 -10.042 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.443 -8.632 6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.521 -8.890 8.670 1.00 0.00 H new ATOM 257 N TYR A 19 9.915 -6.903 6.580 1.00 0.00 N ATOM 258 CA TYR A 19 10.228 -6.012 5.469 1.00 0.00 C ATOM 259 C TYR A 19 11.333 -5.032 5.852 1.00 0.00 C ATOM 260 O TYR A 19 11.534 -4.016 5.187 1.00 0.00 O ATOM 261 CB TYR A 19 8.978 -5.245 5.034 1.00 0.00 C ATOM 262 CG TYR A 19 7.824 -6.140 4.644 1.00 0.00 C ATOM 263 CD1 TYR A 19 7.743 -6.687 3.369 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.814 -6.440 5.550 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.690 -7.504 3.008 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.758 -7.258 5.198 1.00 0.00 C ATOM 267 CZ TYR A 19 5.700 -7.787 3.926 1.00 0.00 C ATOM 268 OH TYR A 19 4.650 -8.602 3.570 1.00 0.00 O ATOM 0 H TYR A 19 9.354 -6.476 7.318 1.00 0.00 H new ATOM 0 HA TYR A 19 10.580 -6.621 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.662 -4.592 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.231 -4.604 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.517 -6.469 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.855 -6.026 6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.642 -7.919 2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.982 -7.482 5.915 1.00 0.00 H new ATOM 0 HH TYR A 19 3.978 -8.600 4.283 1.00 0.00 H new ATOM 278 N ALA A 20 12.046 -5.346 6.928 1.00 0.00 N ATOM 279 CA ALA A 20 13.132 -4.495 7.399 1.00 0.00 C ATOM 280 C ALA A 20 14.307 -4.516 6.427 1.00 0.00 C ATOM 281 O ALA A 20 15.116 -3.589 6.396 1.00 0.00 O ATOM 282 CB ALA A 20 13.583 -4.934 8.784 1.00 0.00 C ATOM 0 H ALA A 20 11.892 -6.183 7.490 1.00 0.00 H new ATOM 0 HA ALA A 20 12.760 -3.472 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.394 -4.290 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.747 -4.861 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.932 -5.966 8.743 1.00 0.00 H new ATOM 288 N ASP A 21 14.395 -5.579 5.635 1.00 0.00 N ATOM 289 CA ASP A 21 15.471 -5.720 4.661 1.00 0.00 C ATOM 290 C ASP A 21 15.278 -4.757 3.494 1.00 0.00 C ATOM 291 O ASP A 21 16.236 -4.388 2.814 1.00 0.00 O ATOM 292 CB ASP A 21 15.536 -7.159 4.146 1.00 0.00 C ATOM 293 CG ASP A 21 14.445 -7.462 3.137 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.515 -6.931 2.009 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.521 -8.231 3.476 1.00 0.00 O ATOM 0 H ASP A 21 13.734 -6.356 5.648 1.00 0.00 H new ATOM 0 HA ASP A 21 16.411 -5.477 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.509 -7.334 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.451 -7.847 4.987 1.00 0.00 H new ATOM 300 N LEU A 22 14.033 -4.352 3.268 1.00 0.00 N ATOM 301 CA LEU A 22 13.713 -3.432 2.182 1.00 0.00 C ATOM 302 C LEU A 22 14.538 -2.154 2.291 1.00 0.00 C ATOM 303 O LEU A 22 14.930 -1.729 3.378 1.00 0.00 O ATOM 304 CB LEU A 22 12.221 -3.092 2.198 1.00 0.00 C ATOM 305 CG LEU A 22 11.262 -4.279 2.097 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.842 -3.797 1.840 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.709 -5.234 1.000 1.00 0.00 C ATOM 0 H LEU A 22 13.229 -4.646 3.822 1.00 0.00 H new ATOM 0 HA LEU A 22 13.958 -3.922 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.002 -2.551 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.015 -2.412 1.371 1.00 0.00 H new ATOM 0 HG LEU A 22 11.276 -4.815 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.173 -4.655 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.523 -3.153 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.811 -3.237 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.015 -6.073 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.724 -4.709 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.709 -5.605 1.226 1.00 0.00 H new ATOM 319 N PRO A 23 14.808 -1.523 1.138 1.00 0.00 N ATOM 320 CA PRO A 23 15.587 -0.283 1.077 1.00 0.00 C ATOM 321 C PRO A 23 14.831 0.905 1.664 1.00 0.00 C ATOM 322 O PRO A 23 15.359 1.637 2.500 1.00 0.00 O ATOM 323 CB PRO A 23 15.818 -0.082 -0.422 1.00 0.00 C ATOM 324 CG PRO A 23 14.688 -0.798 -1.079 1.00 0.00 C ATOM 325 CD PRO A 23 14.373 -1.973 -0.195 1.00 0.00 C ATOM 0 HA PRO A 23 16.507 -0.350 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.822 0.976 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.780 -0.491 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.821 -0.146 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.964 -1.126 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.310 -2.214 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.908 -2.869 -0.511 1.00 0.00 H new ATOM 333 N GLY A 24 13.592 1.090 1.220 1.00 0.00 N ATOM 334 CA GLY A 24 12.784 2.191 1.712 1.00 0.00 C ATOM 335 C GLY A 24 12.443 2.047 3.182 1.00 0.00 C ATOM 336 O GLY A 24 12.994 1.190 3.872 1.00 0.00 O ATOM 0 H GLY A 24 13.133 0.497 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.318 3.128 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.863 2.249 1.132 1.00 0.00 H new ATOM 340 N GLU A 25 11.534 2.890 3.662 1.00 0.00 N ATOM 341 CA GLU A 25 11.124 2.855 5.061 1.00 0.00 C ATOM 342 C GLU A 25 9.663 2.433 5.189 1.00 0.00 C ATOM 343 O GLU A 25 8.779 3.017 4.559 1.00 0.00 O ATOM 344 CB GLU A 25 11.330 4.224 5.711 1.00 0.00 C ATOM 345 CG GLU A 25 11.584 4.156 7.208 1.00 0.00 C ATOM 346 CD GLU A 25 12.367 5.348 7.722 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.605 5.361 7.556 1.00 0.00 O ATOM 348 OE2 GLU A 25 11.742 6.268 8.290 1.00 0.00 O ATOM 0 H GLU A 25 11.068 3.605 3.103 1.00 0.00 H new ATOM 0 HA GLU A 25 11.743 2.120 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.172 4.722 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.449 4.840 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.630 4.099 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.129 3.241 7.439 1.00 0.00 H new ATOM 355 N LEU A 26 9.416 1.416 6.007 1.00 0.00 N ATOM 356 CA LEU A 26 8.062 0.915 6.217 1.00 0.00 C ATOM 357 C LEU A 26 7.220 1.928 6.986 1.00 0.00 C ATOM 358 O LEU A 26 7.668 2.493 7.985 1.00 0.00 O ATOM 359 CB LEU A 26 8.101 -0.413 6.976 1.00 0.00 C ATOM 360 CG LEU A 26 6.838 -1.271 6.892 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.912 -2.215 5.701 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.637 -2.052 8.182 1.00 0.00 C ATOM 0 H LEU A 26 10.135 0.922 6.536 1.00 0.00 H new ATOM 0 HA LEU A 26 7.604 0.756 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.940 -0.999 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.304 -0.203 8.026 1.00 0.00 H new ATOM 0 HG LEU A 26 5.982 -0.611 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.005 -2.818 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.007 -1.635 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.777 -2.869 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.734 -2.657 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.495 -2.702 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.538 -1.357 9.016 1.00 0.00 H new ATOM 374 N HIS A 27 5.997 2.152 6.516 1.00 0.00 N ATOM 375 CA HIS A 27 5.090 3.095 7.162 1.00 0.00 C ATOM 376 C HIS A 27 3.684 2.512 7.266 1.00 0.00 C ATOM 377 O HIS A 27 2.975 2.396 6.266 1.00 0.00 O ATOM 378 CB HIS A 27 5.053 4.411 6.386 1.00 0.00 C ATOM 379 CG HIS A 27 6.128 5.374 6.787 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.941 6.359 7.733 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.409 5.497 6.366 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.059 7.048 7.876 1.00 0.00 C ATOM 383 NE2 HIS A 27 7.966 6.545 7.058 1.00 0.00 N ATOM 0 H HIS A 27 5.611 1.694 5.691 1.00 0.00 H new ATOM 0 HA HIS A 27 5.460 3.286 8.169 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.146 4.198 5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.081 4.882 6.533 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.901 4.885 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.206 7.881 8.548 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.924 6.880 6.957 1.00 0.00 H new ATOM 392 N ILE A 28 3.289 2.147 8.481 1.00 0.00 N ATOM 393 CA ILE A 28 1.968 1.577 8.714 1.00 0.00 C ATOM 394 C ILE A 28 0.997 2.633 9.232 1.00 0.00 C ATOM 395 O ILE A 28 1.222 3.237 10.280 1.00 0.00 O ATOM 396 CB ILE A 28 2.027 0.413 9.721 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.085 -0.606 9.294 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.663 -0.251 9.844 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.430 -1.607 10.374 1.00 0.00 C ATOM 0 H ILE A 28 3.864 2.236 9.319 1.00 0.00 H new ATOM 0 HA ILE A 28 1.614 1.200 7.755 1.00 0.00 H new ATOM 0 HB ILE A 28 2.305 0.810 10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.728 -1.141 8.414 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.990 -0.076 8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.721 -1.072 10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.068 0.480 10.189 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.358 -0.638 8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.186 -2.298 10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.817 -1.081 11.247 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.535 -2.164 10.653 1.00 0.00 H new ATOM 411 N ILE A 29 -0.084 2.849 8.490 1.00 0.00 N ATOM 412 CA ILE A 29 -1.091 3.830 8.875 1.00 0.00 C ATOM 413 C ILE A 29 -2.499 3.293 8.643 1.00 0.00 C ATOM 414 O ILE A 29 -2.758 2.610 7.652 1.00 0.00 O ATOM 415 CB ILE A 29 -0.921 5.147 8.096 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.164 4.916 6.603 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.466 5.726 8.330 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.092 6.181 5.776 1.00 0.00 C ATOM 0 H ILE A 29 -0.285 2.358 7.619 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.950 4.026 9.938 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.658 5.864 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.428 4.205 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.145 4.459 6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.571 6.657 7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.604 5.922 9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.219 5.014 7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.274 5.942 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.847 6.886 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.103 6.628 5.880 1.00 0.00 H new ATOM 430 N GLU A 30 -3.406 3.607 9.563 1.00 0.00 N ATOM 431 CA GLU A 30 -4.789 3.156 9.457 1.00 0.00 C ATOM 432 C GLU A 30 -5.647 4.195 8.741 1.00 0.00 C ATOM 433 O GLU A 30 -5.839 5.306 9.236 1.00 0.00 O ATOM 434 CB GLU A 30 -5.364 2.874 10.847 1.00 0.00 C ATOM 435 CG GLU A 30 -5.157 1.442 11.312 1.00 0.00 C ATOM 436 CD GLU A 30 -5.037 1.331 12.819 1.00 0.00 C ATOM 437 OE1 GLU A 30 -6.080 1.390 13.503 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.900 1.185 13.315 1.00 0.00 O ATOM 0 H GLU A 30 -3.208 4.171 10.389 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.801 2.236 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.903 3.551 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.431 3.095 10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.991 0.829 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.256 1.040 10.849 1.00 0.00 H new ATOM 445 N LEU A 31 -6.158 3.826 7.572 1.00 0.00 N ATOM 446 CA LEU A 31 -6.995 4.726 6.785 1.00 0.00 C ATOM 447 C LEU A 31 -8.450 4.268 6.800 1.00 0.00 C ATOM 448 O LEU A 31 -8.769 3.168 6.352 1.00 0.00 O ATOM 449 CB LEU A 31 -6.487 4.798 5.344 1.00 0.00 C ATOM 450 CG LEU A 31 -5.077 5.359 5.158 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.808 5.651 3.689 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.887 6.614 5.996 1.00 0.00 C ATOM 0 H LEU A 31 -6.008 2.911 7.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.940 5.718 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.517 3.795 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.179 5.410 4.766 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.361 4.609 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.800 6.050 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.901 4.731 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.530 6.382 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.878 6.999 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.611 7.369 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.036 6.374 7.049 1.00 0.00 H new ATOM 464 N GLU A 32 -9.329 5.122 7.318 1.00 0.00 N ATOM 465 CA GLU A 32 -10.750 4.804 7.390 1.00 0.00 C ATOM 466 C GLU A 32 -11.444 5.112 6.066 1.00 0.00 C ATOM 467 O GLU A 32 -11.585 6.273 5.681 1.00 0.00 O ATOM 468 CB GLU A 32 -11.414 5.591 8.522 1.00 0.00 C ATOM 469 CG GLU A 32 -12.597 4.873 9.150 1.00 0.00 C ATOM 470 CD GLU A 32 -13.622 5.831 9.725 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.942 6.832 9.050 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.105 5.579 10.848 1.00 0.00 O ATOM 0 H GLU A 32 -9.082 6.038 7.693 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.848 3.737 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.673 5.796 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.747 6.554 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.075 4.243 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.239 4.213 9.940 1.00 0.00 H new ATOM 479 N LYS A 33 -11.875 4.064 5.373 1.00 0.00 N ATOM 480 CA LYS A 33 -12.555 4.219 4.093 1.00 0.00 C ATOM 481 C LYS A 33 -13.503 5.414 4.122 1.00 0.00 C ATOM 482 O LYS A 33 -14.431 5.463 4.928 1.00 0.00 O ATOM 483 CB LYS A 33 -13.332 2.947 3.747 1.00 0.00 C ATOM 484 CG LYS A 33 -12.444 1.785 3.336 1.00 0.00 C ATOM 485 CD LYS A 33 -13.147 0.868 2.350 1.00 0.00 C ATOM 486 CE LYS A 33 -13.914 -0.235 3.063 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.116 -0.662 2.294 1.00 0.00 N ATOM 0 H LYS A 33 -11.765 3.097 5.677 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.799 4.395 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.929 2.650 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.028 3.165 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.527 2.167 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.154 1.217 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.833 1.451 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.413 0.425 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.258 -1.092 3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.219 0.114 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.611 -1.415 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.754 0.150 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.823 -1.019 1.362 1.00 0.00 H new ATOM 501 N ASP A 34 -13.263 6.375 3.236 1.00 0.00 N ATOM 502 CA ASP A 34 -14.096 7.569 3.159 1.00 0.00 C ATOM 503 C ASP A 34 -15.327 7.317 2.294 1.00 0.00 C ATOM 504 O ASP A 34 -15.556 6.199 1.831 1.00 0.00 O ATOM 505 CB ASP A 34 -13.293 8.743 2.595 1.00 0.00 C ATOM 506 CG ASP A 34 -13.807 10.083 3.082 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.586 10.101 4.059 1.00 0.00 O ATOM 508 OD2 ASP A 34 -13.431 11.114 2.487 1.00 0.00 O ATOM 0 H ASP A 34 -12.498 6.350 2.561 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.426 7.817 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.246 8.633 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.332 8.716 1.506 1.00 0.00 H new ATOM 513 N LYS A 35 -16.118 8.363 2.080 1.00 0.00 N ATOM 514 CA LYS A 35 -17.326 8.257 1.271 1.00 0.00 C ATOM 515 C LYS A 35 -17.122 7.285 0.113 1.00 0.00 C ATOM 516 O LYS A 35 -18.056 6.610 -0.315 1.00 0.00 O ATOM 517 CB LYS A 35 -17.727 9.632 0.732 1.00 0.00 C ATOM 518 CG LYS A 35 -16.766 10.181 -0.309 1.00 0.00 C ATOM 519 CD LYS A 35 -17.020 11.654 -0.581 1.00 0.00 C ATOM 520 CE LYS A 35 -18.185 11.851 -1.538 1.00 0.00 C ATOM 521 NZ LYS A 35 -17.762 11.726 -2.961 1.00 0.00 N ATOM 0 H LYS A 35 -15.944 9.295 2.456 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.126 7.876 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.723 9.565 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.790 10.335 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.740 10.045 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.870 9.616 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.228 12.168 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.122 12.108 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.960 11.115 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.626 12.834 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.585 11.867 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.041 12.445 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.364 10.779 -3.123 1.00 0.00 H new ATOM 535 N ASN A 36 -15.893 7.220 -0.389 1.00 0.00 N ATOM 536 CA ASN A 36 -15.566 6.330 -1.497 1.00 0.00 C ATOM 537 C ASN A 36 -14.550 5.275 -1.066 1.00 0.00 C ATOM 538 O ASN A 36 -14.332 4.286 -1.765 1.00 0.00 O ATOM 539 CB ASN A 36 -15.015 7.132 -2.678 1.00 0.00 C ATOM 540 CG ASN A 36 -16.114 7.758 -3.514 1.00 0.00 C ATOM 541 OD1 ASN A 36 -17.296 7.655 -3.184 1.00 0.00 O ATOM 542 ND2 ASN A 36 -15.729 8.412 -4.604 1.00 0.00 N ATOM 0 H ASN A 36 -15.107 7.773 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.481 5.824 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.355 7.915 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.411 6.478 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.424 8.854 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.738 8.472 -4.839 1.00 0.00 H new ATOM 549 N GLY A 37 -13.931 5.495 0.090 1.00 0.00 N ATOM 550 CA GLY A 37 -12.947 4.556 0.594 1.00 0.00 C ATOM 551 C GLY A 37 -11.525 4.994 0.303 1.00 0.00 C ATOM 552 O GLY A 37 -11.286 6.143 -0.071 1.00 0.00 O ATOM 0 H GLY A 37 -14.094 6.307 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.076 4.442 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.121 3.577 0.147 1.00 0.00 H new ATOM 556 N LEU A 38 -10.578 4.078 0.476 1.00 0.00 N ATOM 557 CA LEU A 38 -9.172 4.376 0.230 1.00 0.00 C ATOM 558 C LEU A 38 -8.914 4.602 -1.256 1.00 0.00 C ATOM 559 O LEU A 38 -8.886 3.656 -2.042 1.00 0.00 O ATOM 560 CB LEU A 38 -8.291 3.236 0.745 1.00 0.00 C ATOM 561 CG LEU A 38 -8.705 2.618 2.081 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.686 1.582 2.529 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.871 3.699 3.139 1.00 0.00 C ATOM 0 H LEU A 38 -10.759 3.123 0.786 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.921 5.291 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.275 2.448 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.270 3.607 0.840 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.664 2.118 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.998 1.153 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.617 0.792 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.712 2.057 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.166 3.242 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.927 4.227 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.640 4.404 2.822 1.00 0.00 H new ATOM 575 N GLY A 39 -8.724 5.862 -1.634 1.00 0.00 N ATOM 576 CA GLY A 39 -8.469 6.190 -3.024 1.00 0.00 C ATOM 577 C GLY A 39 -6.993 6.379 -3.314 1.00 0.00 C ATOM 578 O GLY A 39 -6.357 7.283 -2.770 1.00 0.00 O ATOM 0 H GLY A 39 -8.742 6.662 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.862 5.396 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.007 7.102 -3.283 1.00 0.00 H new ATOM 582 N LEU A 40 -6.446 5.525 -4.172 1.00 0.00 N ATOM 583 CA LEU A 40 -5.034 5.601 -4.532 1.00 0.00 C ATOM 584 C LEU A 40 -4.806 5.088 -5.950 1.00 0.00 C ATOM 585 O LEU A 40 -5.362 4.065 -6.348 1.00 0.00 O ATOM 586 CB LEU A 40 -4.191 4.793 -3.543 1.00 0.00 C ATOM 587 CG LEU A 40 -4.245 5.251 -2.085 1.00 0.00 C ATOM 588 CD1 LEU A 40 -3.837 4.118 -1.155 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.351 6.464 -1.874 1.00 0.00 C ATOM 0 H LEU A 40 -6.958 4.772 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.729 6.647 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.512 3.752 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.153 4.821 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.271 5.535 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.881 4.462 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.517 3.276 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.820 3.803 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.402 6.776 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.322 6.206 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.688 7.280 -2.514 1.00 0.00 H new ATOM 601 N SER A 41 -3.983 5.806 -6.708 1.00 0.00 N ATOM 602 CA SER A 41 -3.681 5.424 -8.083 1.00 0.00 C ATOM 603 C SER A 41 -2.536 4.418 -8.129 1.00 0.00 C ATOM 604 O SER A 41 -1.377 4.768 -7.898 1.00 0.00 O ATOM 605 CB SER A 41 -3.323 6.660 -8.910 1.00 0.00 C ATOM 606 OG SER A 41 -4.413 7.564 -8.975 1.00 0.00 O ATOM 0 H SER A 41 -3.514 6.655 -6.393 1.00 0.00 H new ATOM 0 HA SER A 41 -4.569 4.956 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.459 7.158 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.037 6.357 -9.917 1.00 0.00 H new ATOM 0 HG SER A 41 -4.158 8.346 -9.508 1.00 0.00 H new ATOM 612 N LEU A 42 -2.867 3.167 -8.428 1.00 0.00 N ATOM 613 CA LEU A 42 -1.867 2.108 -8.505 1.00 0.00 C ATOM 614 C LEU A 42 -1.426 1.879 -9.947 1.00 0.00 C ATOM 615 O LEU A 42 -2.217 2.024 -10.879 1.00 0.00 O ATOM 616 CB LEU A 42 -2.424 0.810 -7.918 1.00 0.00 C ATOM 617 CG LEU A 42 -3.086 0.925 -6.545 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.797 -0.371 -6.185 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.056 1.282 -5.483 1.00 0.00 C ATOM 0 H LEU A 42 -3.821 2.861 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.999 2.419 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.153 0.402 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.611 0.088 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.827 1.723 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.262 -0.270 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.563 -0.585 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.075 -1.188 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.546 1.359 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.291 0.506 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.592 2.236 -5.732 1.00 0.00 H new ATOM 631 N ALA A 43 -0.159 1.519 -10.123 1.00 0.00 N ATOM 632 CA ALA A 43 0.386 1.265 -11.451 1.00 0.00 C ATOM 633 C ALA A 43 1.497 0.222 -11.399 1.00 0.00 C ATOM 634 O ALA A 43 2.552 0.454 -10.810 1.00 0.00 O ATOM 635 CB ALA A 43 0.901 2.558 -12.066 1.00 0.00 C ATOM 0 H ALA A 43 0.509 1.397 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.416 0.872 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.305 2.354 -13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.082 3.273 -12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.685 2.975 -11.434 1.00 0.00 H new ATOM 641 N GLY A 44 1.252 -0.928 -12.019 1.00 0.00 N ATOM 642 CA GLY A 44 2.242 -1.990 -12.030 1.00 0.00 C ATOM 643 C GLY A 44 3.625 -1.490 -12.398 1.00 0.00 C ATOM 644 O GLY A 44 3.764 -0.536 -13.162 1.00 0.00 O ATOM 0 H GLY A 44 0.386 -1.144 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.278 -2.459 -11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.937 -2.760 -12.739 1.00 0.00 H new ATOM 648 N ASN A 45 4.650 -2.135 -11.852 1.00 0.00 N ATOM 649 CA ASN A 45 6.030 -1.749 -12.126 1.00 0.00 C ATOM 650 C ASN A 45 6.252 -1.548 -13.622 1.00 0.00 C ATOM 651 O ASN A 45 5.665 -2.248 -14.447 1.00 0.00 O ATOM 652 CB ASN A 45 6.994 -2.811 -11.594 1.00 0.00 C ATOM 653 CG ASN A 45 8.447 -2.431 -11.807 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.930 -2.390 -12.938 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.151 -2.151 -10.716 1.00 0.00 N ATOM 0 H ASN A 45 4.552 -2.927 -11.217 1.00 0.00 H new ATOM 0 HA ASN A 45 6.224 -0.804 -11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.813 -2.962 -10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.793 -3.761 -12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.134 -1.889 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.709 -2.198 -9.798 1.00 0.00 H new ATOM 662 N LYS A 46 7.103 -0.587 -13.964 1.00 0.00 N ATOM 663 CA LYS A 46 7.405 -0.294 -15.360 1.00 0.00 C ATOM 664 C LYS A 46 7.681 -1.576 -16.138 1.00 0.00 C ATOM 665 O LYS A 46 7.117 -1.797 -17.210 1.00 0.00 O ATOM 666 CB LYS A 46 8.612 0.643 -15.456 1.00 0.00 C ATOM 667 CG LYS A 46 8.306 2.073 -15.045 1.00 0.00 C ATOM 668 CD LYS A 46 9.568 2.824 -14.657 1.00 0.00 C ATOM 669 CE LYS A 46 9.244 4.131 -13.949 1.00 0.00 C ATOM 670 NZ LYS A 46 8.164 4.885 -14.644 1.00 0.00 N ATOM 0 H LYS A 46 7.596 0.003 -13.293 1.00 0.00 H new ATOM 0 HA LYS A 46 6.536 0.196 -15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.413 0.256 -14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.983 0.640 -16.481 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.812 2.591 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.611 2.070 -14.206 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.179 2.199 -14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.159 3.029 -15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.939 3.923 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.141 4.748 -13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.407 5.896 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.063 4.530 -15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.267 4.757 -14.133 1.00 0.00 H new ATOM 684 N ASP A 47 8.550 -2.419 -15.591 1.00 0.00 N ATOM 685 CA ASP A 47 8.899 -3.681 -16.233 1.00 0.00 C ATOM 686 C ASP A 47 7.886 -4.767 -15.882 1.00 0.00 C ATOM 687 O ASP A 47 7.770 -5.171 -14.724 1.00 0.00 O ATOM 688 CB ASP A 47 10.302 -4.121 -15.814 1.00 0.00 C ATOM 689 CG ASP A 47 11.378 -3.575 -16.732 1.00 0.00 C ATOM 690 OD1 ASP A 47 11.783 -2.408 -16.544 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.815 -4.314 -17.638 1.00 0.00 O ATOM 0 H ASP A 47 9.026 -2.251 -14.704 1.00 0.00 H new ATOM 0 HA ASP A 47 8.882 -3.528 -17.312 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.495 -3.788 -14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.352 -5.210 -15.808 1.00 0.00 H new ATOM 696 N ARG A 48 7.155 -5.235 -16.888 1.00 0.00 N ATOM 697 CA ARG A 48 6.151 -6.273 -16.685 1.00 0.00 C ATOM 698 C ARG A 48 6.739 -7.456 -15.923 1.00 0.00 C ATOM 699 O ARG A 48 6.168 -7.916 -14.934 1.00 0.00 O ATOM 700 CB ARG A 48 5.594 -6.744 -18.030 1.00 0.00 C ATOM 701 CG ARG A 48 4.645 -7.925 -17.916 1.00 0.00 C ATOM 702 CD ARG A 48 3.201 -7.469 -17.786 1.00 0.00 C ATOM 703 NE ARG A 48 2.860 -7.114 -16.410 1.00 0.00 N ATOM 704 CZ ARG A 48 2.948 -5.881 -15.926 1.00 0.00 C ATOM 705 NH1 ARG A 48 3.362 -4.888 -16.702 1.00 0.00 N ATOM 706 NH2 ARG A 48 2.620 -5.637 -14.664 1.00 0.00 N ATOM 0 H ARG A 48 7.239 -4.912 -17.852 1.00 0.00 H new ATOM 0 HA ARG A 48 5.340 -5.849 -16.093 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.073 -5.915 -18.508 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.424 -7.017 -18.682 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.749 -8.562 -18.794 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.916 -8.529 -17.050 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.033 -6.609 -18.434 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.538 -8.263 -18.130 1.00 0.00 H new ATOM 0 HE ARG A 48 2.537 -7.854 -15.787 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.614 -5.071 -17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.429 -3.942 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.300 -6.397 -14.064 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.688 -4.689 -14.293 1.00 0.00 H new ATOM 720 N SER A 49 7.883 -7.945 -16.390 1.00 0.00 N ATOM 721 CA SER A 49 8.546 -9.079 -15.755 1.00 0.00 C ATOM 722 C SER A 49 8.395 -9.016 -14.238 1.00 0.00 C ATOM 723 O SER A 49 8.222 -10.041 -13.578 1.00 0.00 O ATOM 724 CB SER A 49 10.029 -9.105 -16.131 1.00 0.00 C ATOM 725 OG SER A 49 10.242 -9.855 -17.314 1.00 0.00 O ATOM 0 H SER A 49 8.370 -7.574 -17.206 1.00 0.00 H new ATOM 0 HA SER A 49 8.072 -9.993 -16.112 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.389 -8.086 -16.273 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.607 -9.537 -15.314 1.00 0.00 H new ATOM 0 HG SER A 49 11.197 -9.855 -17.534 1.00 0.00 H new ATOM 731 N ARG A 50 8.462 -7.806 -13.692 1.00 0.00 N ATOM 732 CA ARG A 50 8.334 -7.609 -12.254 1.00 0.00 C ATOM 733 C ARG A 50 6.870 -7.444 -11.855 1.00 0.00 C ATOM 734 O ARG A 50 6.051 -6.974 -12.645 1.00 0.00 O ATOM 735 CB ARG A 50 9.135 -6.382 -11.813 1.00 0.00 C ATOM 736 CG ARG A 50 10.613 -6.665 -11.598 1.00 0.00 C ATOM 737 CD ARG A 50 11.284 -5.554 -10.805 1.00 0.00 C ATOM 738 NE ARG A 50 12.531 -5.998 -10.189 1.00 0.00 N ATOM 739 CZ ARG A 50 13.067 -5.422 -9.118 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.467 -4.387 -8.548 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.205 -5.884 -8.616 1.00 0.00 N ATOM 0 H ARG A 50 8.604 -6.948 -14.224 1.00 0.00 H new ATOM 0 HA ARG A 50 8.731 -8.493 -11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.029 -5.600 -12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.710 -5.994 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.730 -7.612 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.108 -6.774 -12.563 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.486 -4.709 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.604 -5.199 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 50 13.017 -6.793 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.592 -4.031 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.881 -3.947 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.668 -6.681 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.616 -5.442 -7.794 1.00 0.00 H new ATOM 755 N MET A 51 6.549 -7.834 -10.626 1.00 0.00 N ATOM 756 CA MET A 51 5.185 -7.728 -10.123 1.00 0.00 C ATOM 757 C MET A 51 5.160 -7.057 -8.754 1.00 0.00 C ATOM 758 O MET A 51 5.749 -7.558 -7.796 1.00 0.00 O ATOM 759 CB MET A 51 4.542 -9.114 -10.037 1.00 0.00 C ATOM 760 CG MET A 51 3.094 -9.084 -9.574 1.00 0.00 C ATOM 761 SD MET A 51 2.118 -7.831 -10.428 1.00 0.00 S ATOM 762 CE MET A 51 0.834 -8.843 -11.160 1.00 0.00 C ATOM 0 H MET A 51 7.215 -8.226 -9.960 1.00 0.00 H new ATOM 0 HA MET A 51 4.615 -7.113 -10.819 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.592 -9.590 -11.016 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.121 -9.733 -9.352 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.644 -10.063 -9.737 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.063 -8.894 -8.501 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.109 -8.203 -11.664 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.278 -9.528 -11.883 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.332 -9.415 -10.379 1.00 0.00 H new ATOM 772 N SER A 52 4.476 -5.921 -8.668 1.00 0.00 N ATOM 773 CA SER A 52 4.378 -5.179 -7.417 1.00 0.00 C ATOM 774 C SER A 52 3.351 -4.057 -7.529 1.00 0.00 C ATOM 775 O SER A 52 2.905 -3.716 -8.625 1.00 0.00 O ATOM 776 CB SER A 52 5.742 -4.601 -7.035 1.00 0.00 C ATOM 777 OG SER A 52 5.875 -4.495 -5.628 1.00 0.00 O ATOM 0 H SER A 52 3.981 -5.494 -9.451 1.00 0.00 H new ATOM 0 HA SER A 52 4.052 -5.869 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.534 -5.237 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.864 -3.618 -7.490 1.00 0.00 H new ATOM 0 HG SER A 52 6.766 -4.150 -5.409 1.00 0.00 H new ATOM 783 N ILE A 53 2.980 -3.486 -6.387 1.00 0.00 N ATOM 784 CA ILE A 53 2.007 -2.402 -6.357 1.00 0.00 C ATOM 785 C ILE A 53 2.636 -1.113 -5.840 1.00 0.00 C ATOM 786 O ILE A 53 3.332 -1.113 -4.824 1.00 0.00 O ATOM 787 CB ILE A 53 0.795 -2.758 -5.475 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.217 -4.114 -5.888 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.267 -1.673 -5.570 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.793 -4.664 -4.906 1.00 0.00 C ATOM 0 H ILE A 53 3.339 -3.757 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 53 1.669 -2.253 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 53 1.126 -2.825 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.255 -4.016 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.032 -4.829 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.117 -1.939 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.151 -0.724 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.597 -1.577 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.160 -5.626 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.320 -4.794 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.627 -3.969 -4.814 1.00 0.00 H new ATOM 802 N PHE A 54 2.385 -0.014 -6.545 1.00 0.00 N ATOM 803 CA PHE A 54 2.926 1.283 -6.157 1.00 0.00 C ATOM 804 C PHE A 54 1.825 2.339 -6.109 1.00 0.00 C ATOM 805 O PHE A 54 0.707 2.107 -6.569 1.00 0.00 O ATOM 806 CB PHE A 54 4.021 1.715 -7.134 1.00 0.00 C ATOM 807 CG PHE A 54 5.232 0.827 -7.108 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.086 0.829 -6.017 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.516 -0.010 -8.175 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.201 0.012 -5.990 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.629 -0.830 -8.154 1.00 0.00 C ATOM 812 CZ PHE A 54 7.473 -0.817 -7.061 1.00 0.00 C ATOM 0 H PHE A 54 1.810 0.004 -7.388 1.00 0.00 H new ATOM 0 HA PHE A 54 3.356 1.186 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.611 1.728 -8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.324 2.736 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.878 1.476 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.860 -0.022 -9.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.858 0.022 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.838 -1.480 -8.991 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.345 -1.454 -7.044 1.00 0.00 H new ATOM 822 N VAL A 55 2.151 3.500 -5.550 1.00 0.00 N ATOM 823 CA VAL A 55 1.192 4.593 -5.442 1.00 0.00 C ATOM 824 C VAL A 55 1.634 5.796 -6.267 1.00 0.00 C ATOM 825 O VAL A 55 2.344 6.673 -5.775 1.00 0.00 O ATOM 826 CB VAL A 55 1.001 5.030 -3.978 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.058 6.221 -3.894 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.485 3.871 -3.139 1.00 0.00 C ATOM 0 H VAL A 55 3.072 3.708 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 55 0.243 4.220 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 55 1.969 5.335 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.065 6.515 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.474 7.055 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.912 5.947 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.356 4.198 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.473 3.533 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.201 3.050 -3.173 1.00 0.00 H new ATOM 838 N VAL A 56 1.210 5.832 -7.526 1.00 0.00 N ATOM 839 CA VAL A 56 1.561 6.929 -8.421 1.00 0.00 C ATOM 840 C VAL A 56 0.557 8.071 -8.310 1.00 0.00 C ATOM 841 O VAL A 56 0.444 8.901 -9.210 1.00 0.00 O ATOM 842 CB VAL A 56 1.628 6.459 -9.886 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.470 5.198 -10.004 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.228 6.229 -10.436 1.00 0.00 C ATOM 0 H VAL A 56 0.623 5.114 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 56 2.546 7.284 -8.116 1.00 0.00 H new ATOM 0 HB VAL A 56 2.103 7.241 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.506 4.881 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.481 5.401 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.027 4.407 -9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.294 5.897 -11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.275 5.466 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.339 7.159 -10.388 1.00 0.00 H new ATOM 854 N GLY A 57 -0.171 8.106 -7.198 1.00 0.00 N ATOM 855 CA GLY A 57 -1.156 9.151 -6.989 1.00 0.00 C ATOM 856 C GLY A 57 -1.999 8.915 -5.751 1.00 0.00 C ATOM 857 O GLY A 57 -2.195 7.772 -5.335 1.00 0.00 O ATOM 0 H GLY A 57 -0.096 7.429 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.649 10.112 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.807 9.212 -7.861 1.00 0.00 H new ATOM 861 N ILE A 58 -2.495 9.996 -5.160 1.00 0.00 N ATOM 862 CA ILE A 58 -3.320 9.900 -3.962 1.00 0.00 C ATOM 863 C ILE A 58 -4.552 10.792 -4.070 1.00 0.00 C ATOM 864 O ILE A 58 -4.482 11.997 -3.832 1.00 0.00 O ATOM 865 CB ILE A 58 -2.527 10.290 -2.700 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.332 9.354 -2.513 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.430 10.257 -1.476 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.375 9.805 -1.432 1.00 0.00 C ATOM 0 H ILE A 58 -2.340 10.948 -5.491 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.634 8.860 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.152 11.306 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.697 8.356 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.791 9.275 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.855 10.535 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.251 10.961 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.831 9.252 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.448 9.094 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.019 10.790 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.901 9.856 -0.479 1.00 0.00 H new ATOM 880 N ASN A 59 -5.681 10.191 -4.430 1.00 0.00 N ATOM 881 CA ASN A 59 -6.931 10.931 -4.569 1.00 0.00 C ATOM 882 C ASN A 59 -7.078 11.963 -3.455 1.00 0.00 C ATOM 883 O ASN A 59 -7.058 11.638 -2.267 1.00 0.00 O ATOM 884 CB ASN A 59 -8.121 9.970 -4.550 1.00 0.00 C ATOM 885 CG ASN A 59 -9.326 10.528 -5.283 1.00 0.00 C ATOM 886 OD1 ASN A 59 -10.461 10.586 -4.596 1.00 0.00 O flip ATOM 887 ND2 ASN A 59 -9.237 10.902 -6.453 1.00 0.00 N flip ATOM 0 H ASN A 59 -5.757 9.194 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.911 11.455 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.828 9.024 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.395 9.755 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.344 10.839 -6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.056 11.275 -6.933 1.00 0.00 H new ATOM 894 N PRO A 60 -7.232 13.237 -3.845 1.00 0.00 N ATOM 895 CA PRO A 60 -7.387 14.342 -2.895 1.00 0.00 C ATOM 896 C PRO A 60 -8.728 14.300 -2.171 1.00 0.00 C ATOM 897 O PRO A 60 -8.963 15.065 -1.236 1.00 0.00 O ATOM 898 CB PRO A 60 -7.297 15.587 -3.782 1.00 0.00 C ATOM 899 CG PRO A 60 -7.726 15.123 -5.131 1.00 0.00 C ATOM 900 CD PRO A 60 -7.266 13.696 -5.244 1.00 0.00 C ATOM 0 HA PRO A 60 -6.637 14.309 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.943 16.383 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.282 15.985 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.808 15.194 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.284 15.739 -5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.951 13.099 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.285 13.626 -5.714 1.00 0.00 H new ATOM 908 N GLU A 61 -9.604 13.401 -2.609 1.00 0.00 N ATOM 909 CA GLU A 61 -10.922 13.261 -2.001 1.00 0.00 C ATOM 910 C GLU A 61 -10.971 12.043 -1.083 1.00 0.00 C ATOM 911 O GLU A 61 -11.885 11.899 -0.272 1.00 0.00 O ATOM 912 CB GLU A 61 -11.997 13.141 -3.083 1.00 0.00 C ATOM 913 CG GLU A 61 -12.057 14.337 -4.017 1.00 0.00 C ATOM 914 CD GLU A 61 -13.219 14.262 -4.988 1.00 0.00 C ATOM 915 OE1 GLU A 61 -14.330 14.698 -4.618 1.00 0.00 O ATOM 916 OE2 GLU A 61 -13.019 13.768 -6.117 1.00 0.00 O ATOM 0 H GLU A 61 -9.425 12.760 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.115 14.152 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.811 12.242 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.969 13.015 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.140 15.250 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.124 14.403 -4.577 1.00 0.00 H new ATOM 923 N GLY A 62 -9.979 11.168 -1.217 1.00 0.00 N ATOM 924 CA GLY A 62 -9.927 9.973 -0.394 1.00 0.00 C ATOM 925 C GLY A 62 -9.268 10.222 0.948 1.00 0.00 C ATOM 926 O GLY A 62 -8.791 11.320 1.236 1.00 0.00 O ATOM 0 H GLY A 62 -9.210 11.265 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.939 9.601 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.380 9.193 -0.925 1.00 0.00 H new ATOM 930 N PRO A 63 -9.237 9.184 1.798 1.00 0.00 N ATOM 931 CA PRO A 63 -8.636 9.271 3.132 1.00 0.00 C ATOM 932 C PRO A 63 -7.117 9.396 3.076 1.00 0.00 C ATOM 933 O PRO A 63 -6.521 10.175 3.820 1.00 0.00 O ATOM 934 CB PRO A 63 -9.040 7.949 3.790 1.00 0.00 C ATOM 935 CG PRO A 63 -9.256 7.011 2.653 1.00 0.00 C ATOM 936 CD PRO A 63 -9.787 7.847 1.522 1.00 0.00 C ATOM 0 HA PRO A 63 -8.974 10.154 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.261 7.586 4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.945 8.064 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.325 6.519 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.962 6.226 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.458 7.469 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.877 7.856 1.507 1.00 0.00 H new ATOM 944 N ALA A 64 -6.497 8.625 2.189 1.00 0.00 N ATOM 945 CA ALA A 64 -5.048 8.652 2.034 1.00 0.00 C ATOM 946 C ALA A 64 -4.537 10.082 1.898 1.00 0.00 C ATOM 947 O ALA A 64 -3.451 10.412 2.375 1.00 0.00 O ATOM 948 CB ALA A 64 -4.630 7.823 0.829 1.00 0.00 C ATOM 0 H ALA A 64 -6.976 7.974 1.567 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.604 8.219 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.545 7.852 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.954 6.791 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.091 8.230 -0.071 1.00 0.00 H new ATOM 954 N ALA A 65 -5.326 10.928 1.243 1.00 0.00 N ATOM 955 CA ALA A 65 -4.953 12.323 1.045 1.00 0.00 C ATOM 956 C ALA A 65 -5.206 13.143 2.306 1.00 0.00 C ATOM 957 O ALA A 65 -4.474 14.087 2.601 1.00 0.00 O ATOM 958 CB ALA A 65 -5.717 12.911 -0.131 1.00 0.00 C ATOM 0 H ALA A 65 -6.227 10.671 0.841 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.886 12.361 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.429 13.953 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.483 12.348 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.788 12.853 0.065 1.00 0.00 H new ATOM 964 N ALA A 66 -6.248 12.776 3.046 1.00 0.00 N ATOM 965 CA ALA A 66 -6.596 13.477 4.275 1.00 0.00 C ATOM 966 C ALA A 66 -5.547 13.244 5.357 1.00 0.00 C ATOM 967 O ALA A 66 -5.234 14.144 6.136 1.00 0.00 O ATOM 968 CB ALA A 66 -7.968 13.035 4.764 1.00 0.00 C ATOM 0 H ALA A 66 -6.865 11.997 2.815 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.625 14.545 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.215 13.567 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.715 13.259 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.957 11.962 4.957 1.00 0.00 H new ATOM 974 N ASP A 67 -5.007 12.031 5.399 1.00 0.00 N ATOM 975 CA ASP A 67 -3.992 11.679 6.385 1.00 0.00 C ATOM 976 C ASP A 67 -2.701 12.453 6.136 1.00 0.00 C ATOM 977 O ASP A 67 -2.149 13.070 7.046 1.00 0.00 O ATOM 978 CB ASP A 67 -3.715 10.175 6.350 1.00 0.00 C ATOM 979 CG ASP A 67 -3.047 9.680 7.617 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.270 10.290 8.684 1.00 0.00 O ATOM 981 OD2 ASP A 67 -2.302 8.681 7.543 1.00 0.00 O ATOM 0 H ASP A 67 -5.255 11.275 4.761 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.371 11.947 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.653 9.639 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.080 9.945 5.494 1.00 0.00 H new ATOM 986 N GLY A 68 -2.224 12.414 4.895 1.00 0.00 N ATOM 987 CA GLY A 68 -1.001 13.114 4.548 1.00 0.00 C ATOM 988 C GLY A 68 0.226 12.233 4.671 1.00 0.00 C ATOM 989 O GLY A 68 1.258 12.505 4.057 1.00 0.00 O ATOM 0 H GLY A 68 -2.663 11.910 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.076 13.486 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.887 13.983 5.196 1.00 0.00 H new ATOM 993 N ARG A 69 0.115 11.175 5.467 1.00 0.00 N ATOM 994 CA ARG A 69 1.226 10.252 5.671 1.00 0.00 C ATOM 995 C ARG A 69 1.585 9.538 4.371 1.00 0.00 C ATOM 996 O ARG A 69 2.760 9.361 4.053 1.00 0.00 O ATOM 997 CB ARG A 69 0.873 9.226 6.749 1.00 0.00 C ATOM 998 CG ARG A 69 1.108 9.724 8.165 1.00 0.00 C ATOM 999 CD ARG A 69 0.097 10.791 8.555 1.00 0.00 C ATOM 1000 NE ARG A 69 0.470 12.110 8.049 1.00 0.00 N ATOM 1001 CZ ARG A 69 1.433 12.855 8.580 1.00 0.00 C ATOM 1002 NH1 ARG A 69 2.117 12.413 9.627 1.00 0.00 N ATOM 1003 NH2 ARG A 69 1.714 14.044 8.063 1.00 0.00 N ATOM 0 H ARG A 69 -0.733 10.935 5.981 1.00 0.00 H new ATOM 0 HA ARG A 69 2.090 10.830 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.174 8.944 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.464 8.324 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.043 8.888 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.116 10.129 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.885 10.519 8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.012 10.830 9.641 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.037 12.479 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.904 11.499 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.856 12.987 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.190 14.386 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.454 14.616 8.471 1.00 0.00 H new ATOM 1017 N MET A 70 0.564 9.130 3.625 1.00 0.00 N ATOM 1018 CA MET A 70 0.772 8.436 2.359 1.00 0.00 C ATOM 1019 C MET A 70 1.272 9.399 1.287 1.00 0.00 C ATOM 1020 O MET A 70 0.775 10.519 1.165 1.00 0.00 O ATOM 1021 CB MET A 70 -0.526 7.770 1.899 1.00 0.00 C ATOM 1022 CG MET A 70 -0.696 6.350 2.413 1.00 0.00 C ATOM 1023 SD MET A 70 -1.652 5.313 1.289 1.00 0.00 S ATOM 1024 CE MET A 70 -0.340 4.527 0.356 1.00 0.00 C ATOM 0 H MET A 70 -0.415 9.268 3.875 1.00 0.00 H new ATOM 0 HA MET A 70 1.530 7.668 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.371 8.372 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.553 7.759 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.286 5.903 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.189 6.376 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.678 3.553 0.003 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.076 5.151 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.534 4.398 0.995 1.00 0.00 H new ATOM 1034 N ARG A 71 2.256 8.955 0.512 1.00 0.00 N ATOM 1035 CA ARG A 71 2.823 9.779 -0.549 1.00 0.00 C ATOM 1036 C ARG A 71 2.972 8.977 -1.839 1.00 0.00 C ATOM 1037 O ARG A 71 2.722 7.771 -1.864 1.00 0.00 O ATOM 1038 CB ARG A 71 4.183 10.334 -0.121 1.00 0.00 C ATOM 1039 CG ARG A 71 4.117 11.223 1.110 1.00 0.00 C ATOM 1040 CD ARG A 71 3.807 12.665 0.741 1.00 0.00 C ATOM 1041 NE ARG A 71 4.863 13.261 -0.072 1.00 0.00 N ATOM 1042 CZ ARG A 71 5.025 14.571 -0.220 1.00 0.00 C ATOM 1043 NH1 ARG A 71 4.205 15.417 0.387 1.00 0.00 N ATOM 1044 NH2 ARG A 71 6.011 15.038 -0.977 1.00 0.00 N ATOM 0 H ARG A 71 2.677 8.030 0.599 1.00 0.00 H new ATOM 0 HA ARG A 71 2.141 10.609 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.859 9.503 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.610 10.902 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.352 10.848 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.067 11.179 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.864 12.705 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.675 13.251 1.650 1.00 0.00 H new ATOM 0 HE ARG A 71 5.512 12.638 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.447 15.063 0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.332 16.422 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.645 14.391 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.135 16.044 -1.090 1.00 0.00 H new ATOM 1058 N ILE A 72 3.380 9.654 -2.907 1.00 0.00 N ATOM 1059 CA ILE A 72 3.563 9.005 -4.199 1.00 0.00 C ATOM 1060 C ILE A 72 4.834 8.163 -4.216 1.00 0.00 C ATOM 1061 O ILE A 72 5.933 8.675 -4.003 1.00 0.00 O ATOM 1062 CB ILE A 72 3.626 10.034 -5.343 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.518 11.077 -5.181 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.511 9.337 -6.690 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.184 10.485 -4.782 1.00 0.00 C ATOM 0 H ILE A 72 3.590 10.652 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 72 2.699 8.358 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 72 4.589 10.543 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.823 11.805 -4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.400 11.618 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.557 10.078 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.332 8.629 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.562 8.804 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.447 11.282 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.857 9.778 -5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.286 9.968 -3.828 1.00 0.00 H new ATOM 1077 N GLY A 73 4.678 6.868 -4.475 1.00 0.00 N ATOM 1078 CA GLY A 73 5.822 5.977 -4.517 1.00 0.00 C ATOM 1079 C GLY A 73 5.701 4.831 -3.533 1.00 0.00 C ATOM 1080 O GLY A 73 6.402 3.825 -3.651 1.00 0.00 O ATOM 0 H GLY A 73 3.780 6.421 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.930 5.576 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.728 6.543 -4.301 1.00 0.00 H new ATOM 1084 N ASP A 74 4.812 4.982 -2.558 1.00 0.00 N ATOM 1085 CA ASP A 74 4.601 3.951 -1.548 1.00 0.00 C ATOM 1086 C ASP A 74 4.189 2.633 -2.195 1.00 0.00 C ATOM 1087 O ASP A 74 3.219 2.578 -2.950 1.00 0.00 O ATOM 1088 CB ASP A 74 3.535 4.398 -0.547 1.00 0.00 C ATOM 1089 CG ASP A 74 4.032 5.492 0.378 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.264 5.664 0.485 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.188 6.175 0.994 1.00 0.00 O ATOM 0 H ASP A 74 4.225 5.809 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 74 5.542 3.797 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.659 4.754 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.216 3.541 0.047 1.00 0.00 H new ATOM 1096 N GLU A 75 4.933 1.573 -1.894 1.00 0.00 N ATOM 1097 CA GLU A 75 4.645 0.255 -2.448 1.00 0.00 C ATOM 1098 C GLU A 75 3.918 -0.617 -1.429 1.00 0.00 C ATOM 1099 O GLU A 75 4.534 -1.169 -0.516 1.00 0.00 O ATOM 1100 CB GLU A 75 5.939 -0.430 -2.892 1.00 0.00 C ATOM 1101 CG GLU A 75 5.785 -1.922 -3.135 1.00 0.00 C ATOM 1102 CD GLU A 75 7.112 -2.613 -3.383 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.154 -1.925 -3.344 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.109 -3.840 -3.614 1.00 0.00 O ATOM 0 H GLU A 75 5.739 1.601 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 75 3.997 0.387 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.296 0.044 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.704 -0.271 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.298 -2.378 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.131 -2.081 -3.992 1.00 0.00 H new ATOM 1111 N LEU A 76 2.605 -0.736 -1.590 1.00 0.00 N ATOM 1112 CA LEU A 76 1.792 -1.540 -0.684 1.00 0.00 C ATOM 1113 C LEU A 76 2.398 -2.927 -0.495 1.00 0.00 C ATOM 1114 O LEU A 76 2.967 -3.500 -1.426 1.00 0.00 O ATOM 1115 CB LEU A 76 0.365 -1.664 -1.221 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.463 -0.378 -1.226 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.784 -0.598 -1.947 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.703 0.107 0.196 1.00 0.00 C ATOM 0 H LEU A 76 2.080 -0.286 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 76 1.767 -1.039 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.414 -2.045 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.162 -2.410 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 76 0.096 0.390 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.360 0.327 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.591 -0.898 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.349 -1.381 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.294 1.023 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.241 -0.658 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.254 0.304 0.680 1.00 0.00 H new ATOM 1130 N LEU A 77 2.271 -3.463 0.713 1.00 0.00 N ATOM 1131 CA LEU A 77 2.804 -4.785 1.024 1.00 0.00 C ATOM 1132 C LEU A 77 1.708 -5.703 1.555 1.00 0.00 C ATOM 1133 O LEU A 77 1.638 -6.877 1.191 1.00 0.00 O ATOM 1134 CB LEU A 77 3.933 -4.673 2.050 1.00 0.00 C ATOM 1135 CG LEU A 77 5.109 -3.777 1.660 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.932 -3.413 2.885 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.978 -4.462 0.615 1.00 0.00 C ATOM 0 H LEU A 77 1.803 -3.003 1.494 1.00 0.00 H new ATOM 0 HA LEU A 77 3.199 -5.216 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.512 -4.300 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.316 -5.674 2.250 1.00 0.00 H new ATOM 0 HG LEU A 77 4.713 -2.858 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.764 -2.775 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.304 -2.881 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.318 -4.322 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.810 -3.810 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.365 -5.397 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.382 -4.670 -0.274 1.00 0.00 H new ATOM 1149 N GLU A 78 0.853 -5.160 2.416 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.241 -5.931 2.995 1.00 0.00 C ATOM 1151 C GLU A 78 -1.459 -5.045 3.242 1.00 0.00 C ATOM 1152 O GLU A 78 -1.337 -3.828 3.381 1.00 0.00 O ATOM 1153 CB GLU A 78 0.204 -6.583 4.306 1.00 0.00 C ATOM 1154 CG GLU A 78 1.498 -7.370 4.186 1.00 0.00 C ATOM 1155 CD GLU A 78 1.843 -8.122 5.456 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.369 -7.713 6.536 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.587 -9.122 5.369 1.00 0.00 O ATOM 0 H GLU A 78 0.897 -4.190 2.728 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.518 -6.711 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.328 -5.809 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.585 -7.248 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.414 -8.077 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.312 -6.688 3.939 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.633 -5.666 3.295 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.873 -4.935 3.526 1.00 0.00 C ATOM 1166 C ILE A 79 -4.919 -5.824 4.189 1.00 0.00 C ATOM 1167 O ILE A 79 -5.102 -6.978 3.805 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.450 -4.376 2.212 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.454 -3.415 1.560 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.776 -3.678 2.470 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.881 -2.939 0.189 1.00 0.00 C ATOM 0 H ILE A 79 -2.751 -6.673 3.181 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.631 -4.105 4.190 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.626 -5.206 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.318 -2.550 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.486 -3.909 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.171 -3.288 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.485 -4.389 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.624 -2.856 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.127 -2.261 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.989 -3.796 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.834 -2.416 0.266 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.605 -5.277 5.188 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.635 -6.020 5.905 1.00 0.00 C ATOM 1185 C ASN A 80 -6.194 -7.459 6.153 1.00 0.00 C ATOM 1186 O ASN A 80 -7.006 -8.383 6.118 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.946 -6.005 5.116 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.116 -6.526 5.929 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.656 -7.595 5.647 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.513 -5.769 6.946 1.00 0.00 N ATOM 0 H ASN A 80 -5.466 -4.322 5.519 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.793 -5.536 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.159 -4.987 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.833 -6.611 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.295 -6.067 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.036 -4.889 7.144 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.902 -7.641 6.406 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.352 -8.968 6.660 1.00 0.00 C ATOM 1199 C ASN A 81 -4.274 -9.781 5.372 1.00 0.00 C ATOM 1200 O ASN A 81 -4.694 -10.937 5.330 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.207 -9.707 7.692 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.696 -8.794 8.799 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.941 -7.972 9.319 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -6.965 -8.935 9.165 1.00 0.00 N ATOM 0 H ASN A 81 -4.216 -6.887 6.441 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.343 -8.847 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.064 -10.159 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.625 -10.520 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.350 -8.349 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.554 -9.630 8.706 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.732 -9.168 4.324 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.599 -9.835 3.034 1.00 0.00 C ATOM 1213 C GLN A 82 -2.327 -9.389 2.320 1.00 0.00 C ATOM 1214 O GLN A 82 -2.232 -8.253 1.854 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.819 -9.546 2.158 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.060 -10.322 2.568 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.172 -11.659 1.862 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -5.701 -12.680 2.364 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.798 -11.660 0.691 1.00 0.00 N ATOM 0 H GLN A 82 -3.378 -8.211 4.343 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.536 -10.908 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.039 -8.479 2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.577 -9.785 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.043 -10.485 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.946 -9.725 2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.173 -10.790 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.904 -12.531 0.170 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.354 -10.289 2.238 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.089 -9.988 1.579 1.00 0.00 C ATOM 1230 C ILE A 83 -0.279 -9.815 0.076 1.00 0.00 C ATOM 1231 O ILE A 83 -0.805 -10.701 -0.600 1.00 0.00 O ATOM 1232 CB ILE A 83 0.954 -11.093 1.830 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.219 -11.243 3.329 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.245 -10.782 1.087 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.328 -12.220 3.652 1.00 0.00 C ATOM 0 H ILE A 83 -1.417 -11.233 2.620 1.00 0.00 H new ATOM 0 HA ILE A 83 0.274 -9.053 2.006 1.00 0.00 H new ATOM 0 HB ILE A 83 0.559 -12.037 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.473 -10.268 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.303 -11.570 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.972 -11.572 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.044 -10.721 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.645 -9.830 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.461 -12.276 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.068 -13.206 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.256 -11.883 3.189 1.00 0.00 H new ATOM 1247 N LEU A 84 0.154 -8.671 -0.442 1.00 0.00 N ATOM 1248 CA LEU A 84 0.033 -8.383 -1.867 1.00 0.00 C ATOM 1249 C LEU A 84 1.342 -8.673 -2.594 1.00 0.00 C ATOM 1250 O LEU A 84 1.356 -8.894 -3.805 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.368 -6.922 -2.080 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.425 -6.370 -1.123 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.540 -4.861 -1.266 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.771 -7.035 -1.374 1.00 0.00 C ATOM 0 H LEU A 84 0.592 -7.928 0.103 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.742 -9.030 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.527 -6.305 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.737 -6.812 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.115 -6.595 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.297 -4.487 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.580 -4.399 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.826 -4.613 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.511 -6.630 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.087 -6.842 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.680 -8.110 -1.219 1.00 0.00 H new ATOM 1266 N TYR A 85 2.440 -8.674 -1.847 1.00 0.00 N ATOM 1267 CA TYR A 85 3.755 -8.937 -2.420 1.00 0.00 C ATOM 1268 C TYR A 85 3.716 -10.157 -3.335 1.00 0.00 C ATOM 1269 O TYR A 85 3.800 -11.295 -2.876 1.00 0.00 O ATOM 1270 CB TYR A 85 4.785 -9.152 -1.309 1.00 0.00 C ATOM 1271 CG TYR A 85 6.185 -9.401 -1.822 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.611 -10.685 -2.142 1.00 0.00 C ATOM 1273 CD2 TYR A 85 7.083 -8.354 -1.986 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.890 -10.918 -2.610 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.363 -8.577 -2.455 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.762 -9.860 -2.765 1.00 0.00 C ATOM 1277 OH TYR A 85 10.036 -10.087 -3.232 1.00 0.00 O ATOM 0 H TYR A 85 2.446 -8.496 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 85 4.045 -8.069 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.795 -8.276 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.475 -9.999 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.930 -11.515 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.775 -7.348 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.205 -11.922 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.048 -7.751 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 85 10.522 -9.237 -3.284 1.00 0.00 H new ATOM 1287 N GLY A 86 3.588 -9.909 -4.635 1.00 0.00 N ATOM 1288 CA GLY A 86 3.540 -10.996 -5.596 1.00 0.00 C ATOM 1289 C GLY A 86 2.199 -11.092 -6.296 1.00 0.00 C ATOM 1290 O GLY A 86 1.827 -12.154 -6.797 1.00 0.00 O ATOM 0 H GLY A 86 3.517 -8.975 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.325 -10.855 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.749 -11.937 -5.087 1.00 0.00 H new ATOM 1294 N ARG A 87 1.470 -9.981 -6.331 1.00 0.00 N ATOM 1295 CA ARG A 87 0.161 -9.946 -6.972 1.00 0.00 C ATOM 1296 C ARG A 87 -0.010 -8.668 -7.789 1.00 0.00 C ATOM 1297 O ARG A 87 0.891 -7.831 -7.845 1.00 0.00 O ATOM 1298 CB ARG A 87 -0.947 -10.044 -5.923 1.00 0.00 C ATOM 1299 CG ARG A 87 -0.935 -11.350 -5.145 1.00 0.00 C ATOM 1300 CD ARG A 87 -1.965 -11.341 -4.025 1.00 0.00 C ATOM 1301 NE ARG A 87 -2.153 -12.668 -3.445 1.00 0.00 N ATOM 1302 CZ ARG A 87 -3.158 -12.979 -2.633 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -4.060 -12.063 -2.308 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -3.262 -14.208 -2.145 1.00 0.00 N ATOM 0 H ARG A 87 1.764 -9.094 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 87 0.091 -10.800 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.848 -9.213 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.913 -9.933 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.139 -12.180 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.058 -11.516 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.648 -10.647 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.917 -10.975 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.476 -13.396 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.984 -11.117 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.830 -12.304 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.570 -14.915 -2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.034 -14.446 -1.522 1.00 0.00 H new ATOM 1318 N SER A 88 -1.170 -8.527 -8.422 1.00 0.00 N ATOM 1319 CA SER A 88 -1.457 -7.354 -9.239 1.00 0.00 C ATOM 1320 C SER A 88 -2.149 -6.273 -8.415 1.00 0.00 C ATOM 1321 O SER A 88 -2.793 -6.563 -7.406 1.00 0.00 O ATOM 1322 CB SER A 88 -2.333 -7.741 -10.433 1.00 0.00 C ATOM 1323 OG SER A 88 -2.548 -6.632 -11.288 1.00 0.00 O ATOM 0 H SER A 88 -1.926 -9.210 -8.385 1.00 0.00 H new ATOM 0 HA SER A 88 -0.510 -6.956 -9.605 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.857 -8.547 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.291 -8.121 -10.077 1.00 0.00 H new ATOM 0 HG SER A 88 -3.109 -6.905 -12.044 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.011 -5.026 -8.852 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.623 -3.900 -8.155 1.00 0.00 C ATOM 1331 C HIS A 89 -4.141 -4.047 -8.113 1.00 0.00 C ATOM 1332 O HIS A 89 -4.785 -3.652 -7.142 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.246 -2.584 -8.837 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.589 -2.545 -10.295 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.851 -2.248 -10.763 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.825 -2.767 -11.390 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.850 -2.290 -12.084 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.632 -2.602 -12.489 1.00 0.00 N ATOM 0 H HIS A 89 -1.481 -4.769 -9.685 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.247 -3.891 -7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.754 -1.763 -8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.175 -2.417 -8.719 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.776 -3.026 -11.398 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.700 -2.101 -12.723 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.338 -2.704 -13.461 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.705 -4.617 -9.173 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.148 -4.814 -9.257 1.00 0.00 C ATOM 1349 C GLN A 90 -6.657 -5.617 -8.064 1.00 0.00 C ATOM 1350 O GLN A 90 -7.783 -5.421 -7.608 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.511 -5.528 -10.560 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.206 -4.713 -11.806 1.00 0.00 C ATOM 1353 CD GLN A 90 -7.313 -3.736 -12.149 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -7.480 -2.712 -11.486 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -8.076 -4.047 -13.191 1.00 0.00 N ATOM 0 H GLN A 90 -4.186 -4.950 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.625 -3.834 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.967 -6.471 -10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.573 -5.772 -10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.276 -4.165 -11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.048 -5.388 -12.647 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.902 -4.906 -13.712 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.836 -3.426 -13.470 1.00 0.00 H new ATOM 1364 N ASN A 91 -5.821 -6.521 -7.564 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.187 -7.354 -6.425 1.00 0.00 C ATOM 1366 C ASN A 91 -6.304 -6.517 -5.154 1.00 0.00 C ATOM 1367 O ASN A 91 -7.272 -6.641 -4.404 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.154 -8.464 -6.225 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.276 -9.562 -7.263 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -5.382 -9.291 -8.460 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.262 -10.810 -6.809 1.00 0.00 N ATOM 0 H ASN A 91 -4.885 -6.695 -7.930 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.158 -7.804 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.152 -8.036 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.274 -8.893 -5.230 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.341 -11.591 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.172 -10.988 -5.809 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.311 -5.665 -4.920 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.304 -4.806 -3.743 1.00 0.00 C ATOM 1380 C ALA A 92 -6.656 -4.129 -3.548 1.00 0.00 C ATOM 1381 O ALA A 92 -7.385 -4.438 -2.605 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.202 -3.763 -3.858 1.00 0.00 C ATOM 0 H ALA A 92 -4.501 -5.552 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.111 -5.430 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.208 -3.128 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.236 -4.262 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.371 -3.151 -4.744 1.00 0.00 H new ATOM 1388 N SER A 93 -6.985 -3.205 -4.445 1.00 0.00 N ATOM 1389 CA SER A 93 -8.249 -2.481 -4.368 1.00 0.00 C ATOM 1390 C SER A 93 -9.382 -3.410 -3.940 1.00 0.00 C ATOM 1391 O SER A 93 -10.197 -3.059 -3.088 1.00 0.00 O ATOM 1392 CB SER A 93 -8.579 -1.845 -5.720 1.00 0.00 C ATOM 1393 OG SER A 93 -8.932 -2.831 -6.675 1.00 0.00 O ATOM 0 H SER A 93 -6.394 -2.940 -5.233 1.00 0.00 H new ATOM 0 HA SER A 93 -8.145 -1.695 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.400 -1.138 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.720 -1.278 -6.078 1.00 0.00 H new ATOM 0 HG SER A 93 -8.263 -3.547 -6.668 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.424 -4.596 -4.538 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.454 -5.576 -4.218 1.00 0.00 C ATOM 1401 C ALA A 94 -10.437 -5.926 -2.734 1.00 0.00 C ATOM 1402 O ALA A 94 -11.483 -5.972 -2.086 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.269 -6.830 -5.060 1.00 0.00 C ATOM 0 H ALA A 94 -8.757 -4.901 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.424 -5.136 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.045 -7.553 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.339 -6.572 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.290 -7.264 -4.857 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.245 -6.172 -2.203 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.093 -6.517 -0.795 1.00 0.00 C ATOM 1411 C ILE A 95 -9.660 -5.423 0.104 1.00 0.00 C ATOM 1412 O ILE A 95 -10.335 -5.707 1.094 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.616 -6.752 -0.429 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.011 -7.835 -1.325 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.488 -7.139 1.037 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.499 -7.855 -1.313 1.00 0.00 C ATOM 0 H ILE A 95 -8.370 -6.139 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.650 -7.440 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.066 -5.825 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.382 -8.809 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.356 -7.683 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.438 -7.302 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.885 -6.338 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.049 -8.055 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.140 -8.647 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.120 -6.895 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.146 -8.038 -0.298 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.383 -4.173 -0.249 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.868 -3.036 0.524 1.00 0.00 C ATOM 1430 C ILE A 96 -11.392 -2.981 0.523 1.00 0.00 C ATOM 1431 O ILE A 96 -12.018 -2.797 1.567 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.317 -1.706 -0.025 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.811 -1.612 0.225 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.041 -0.530 0.613 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.136 -0.508 -0.560 1.00 0.00 C ATOM 0 H ILE A 96 -8.825 -3.921 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.512 -3.173 1.545 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.490 -1.673 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.637 -1.449 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.348 -2.565 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.641 0.403 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.106 -0.593 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.896 -0.556 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.070 -0.500 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.279 -0.680 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.572 0.453 -0.286 1.00 0.00 H new ATOM 1447 N LYS A 97 -11.984 -3.143 -0.656 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.435 -3.115 -0.794 1.00 0.00 C ATOM 1449 C LYS A 97 -14.094 -4.078 0.189 1.00 0.00 C ATOM 1450 O LYS A 97 -15.090 -3.742 0.830 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.838 -3.476 -2.225 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.135 -2.824 -2.674 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.356 -2.993 -4.168 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.460 -2.063 -4.972 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.403 -2.454 -6.408 1.00 0.00 N ATOM 0 H LYS A 97 -11.480 -3.295 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.777 -2.105 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.038 -3.181 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.939 -4.558 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.971 -3.263 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.115 -1.763 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.158 -4.027 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.400 -2.791 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.829 -1.041 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.454 -2.074 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.783 -1.797 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.027 -3.420 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.359 -2.419 -6.816 1.00 0.00 H new ATOM 1469 N THR A 98 -13.530 -5.276 0.304 1.00 0.00 N ATOM 1470 CA THR A 98 -14.063 -6.287 1.209 1.00 0.00 C ATOM 1471 C THR A 98 -13.768 -5.934 2.662 1.00 0.00 C ATOM 1472 O THR A 98 -14.477 -6.364 3.571 1.00 0.00 O ATOM 1473 CB THR A 98 -13.479 -7.679 0.902 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.067 -7.682 1.142 1.00 0.00 O ATOM 1475 CG2 THR A 98 -13.754 -8.076 -0.540 1.00 0.00 C ATOM 0 H THR A 98 -12.704 -5.570 -0.218 1.00 0.00 H new ATOM 0 HA THR A 98 -15.142 -6.312 1.056 1.00 0.00 H new ATOM 0 HB THR A 98 -13.960 -8.403 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.678 -6.844 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.332 -9.062 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 98 -14.830 -8.102 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.297 -7.349 -1.211 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.718 -5.148 2.874 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.332 -4.734 4.218 1.00 0.00 C ATOM 1485 C ALA A 99 -13.314 -3.713 4.781 1.00 0.00 C ATOM 1486 O ALA A 99 -13.976 -2.981 4.045 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.921 -4.164 4.209 1.00 0.00 C ATOM 0 H ALA A 99 -12.119 -4.785 2.132 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.353 -5.613 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.645 -3.859 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.224 -4.924 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.882 -3.300 3.545 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.413 -3.661 6.118 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.312 -2.733 6.810 1.00 0.00 C ATOM 1495 C PRO A 100 -13.854 -1.283 6.689 1.00 0.00 C ATOM 1496 O PRO A 100 -12.958 -0.969 5.905 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.246 -3.195 8.267 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.922 -3.867 8.392 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.654 -4.504 7.057 1.00 0.00 C ATOM 0 HA PRO A 100 -15.317 -2.749 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.329 -2.352 8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.061 -3.879 8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.142 -3.149 8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.937 -4.614 9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.590 -4.510 6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.992 -5.540 7.031 1.00 0.00 H new ATOM 1507 N SER A 101 -14.473 -0.405 7.471 1.00 0.00 N ATOM 1508 CA SER A 101 -14.130 1.012 7.450 1.00 0.00 C ATOM 1509 C SER A 101 -12.637 1.214 7.692 1.00 0.00 C ATOM 1510 O SER A 101 -11.930 1.774 6.854 1.00 0.00 O ATOM 1511 CB SER A 101 -14.937 1.770 8.506 1.00 0.00 C ATOM 1512 OG SER A 101 -14.480 1.466 9.812 1.00 0.00 O ATOM 0 H SER A 101 -15.215 -0.650 8.127 1.00 0.00 H new ATOM 0 HA SER A 101 -14.377 1.405 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.856 2.843 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.992 1.511 8.417 1.00 0.00 H new ATOM 0 HG SER A 101 -15.010 1.964 10.468 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.164 0.754 8.845 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.756 0.882 9.201 1.00 0.00 C ATOM 1520 C LYS A 102 -9.934 -0.242 8.578 1.00 0.00 C ATOM 1521 O LYS A 102 -9.993 -1.388 9.023 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.589 0.867 10.722 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.461 1.754 11.219 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.572 2.014 12.712 1.00 0.00 C ATOM 1525 CE LYS A 102 -8.936 3.341 13.096 1.00 0.00 C ATOM 1526 NZ LYS A 102 -8.930 3.548 14.570 1.00 0.00 N ATOM 0 H LYS A 102 -12.736 0.289 9.550 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.394 1.833 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.523 1.187 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.406 -0.157 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.503 1.282 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.479 2.702 10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.622 2.014 13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.088 1.205 13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.913 3.376 12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.479 4.156 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.488 4.463 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.907 3.541 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.390 2.785 15.026 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.166 0.095 7.546 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.330 -0.886 6.863 1.00 0.00 C ATOM 1542 C VAL A 103 -6.850 -0.599 7.091 1.00 0.00 C ATOM 1543 O VAL A 103 -6.384 0.521 6.883 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.611 -0.906 5.349 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.827 -2.021 4.675 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -10.102 -1.057 5.086 1.00 0.00 C ATOM 0 H VAL A 103 -9.106 1.039 7.165 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.577 -1.861 7.283 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.285 0.043 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.038 -2.019 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.760 -1.863 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.120 -2.981 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.282 -1.069 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.456 -1.990 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.637 -0.220 5.534 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.115 -1.619 7.519 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.686 -1.479 7.774 1.00 0.00 C ATOM 1558 C LYS A 104 -3.892 -1.541 6.472 1.00 0.00 C ATOM 1559 O LYS A 104 -4.002 -2.503 5.711 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.207 -2.576 8.727 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.842 -2.302 9.334 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.347 -3.483 10.151 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.195 -3.088 11.062 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.675 -2.625 12.394 1.00 0.00 N ATOM 0 H LYS A 104 -6.485 -2.553 7.697 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.519 -0.506 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.935 -2.692 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.172 -3.523 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.128 -2.083 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.896 -1.417 9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.166 -3.881 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.025 -4.281 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.527 -3.939 11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.614 -2.296 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.870 -2.559 13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.120 -1.690 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.371 -3.302 12.767 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.093 -0.510 6.223 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.280 -0.447 5.014 1.00 0.00 C ATOM 1580 C LEU A 105 -0.794 -0.427 5.358 1.00 0.00 C ATOM 1581 O LEU A 105 -0.310 0.495 6.014 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.642 0.793 4.195 1.00 0.00 C ATOM 1583 CG LEU A 105 -4.110 0.923 3.787 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.470 2.381 3.546 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.393 0.090 2.545 1.00 0.00 C ATOM 0 H LEU A 105 -2.991 0.294 6.842 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.486 -1.338 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.366 1.677 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.033 0.797 3.291 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.729 0.547 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.518 2.454 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.305 2.952 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.845 2.783 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.442 0.194 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.765 0.436 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.174 -0.958 2.752 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.074 -1.450 4.908 1.00 0.00 N ATOM 1598 CA VAL A 106 1.358 -1.549 5.165 1.00 0.00 C ATOM 1599 C VAL A 106 2.160 -1.383 3.879 1.00 0.00 C ATOM 1600 O VAL A 106 2.191 -2.278 3.034 1.00 0.00 O ATOM 1601 CB VAL A 106 1.720 -2.899 5.813 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.214 -2.974 6.092 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.920 -3.109 7.089 1.00 0.00 C ATOM 0 H VAL A 106 -0.459 -2.222 4.364 1.00 0.00 H new ATOM 0 HA VAL A 106 1.612 -0.744 5.854 1.00 0.00 H new ATOM 0 HB VAL A 106 1.464 -3.697 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.451 -3.934 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.764 -2.872 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.498 -2.169 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.189 -4.067 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.142 -2.308 7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.145 -3.103 6.856 1.00 0.00 H new ATOM 1613 N PHE A 107 2.809 -0.232 3.738 1.00 0.00 N ATOM 1614 CA PHE A 107 3.612 0.052 2.554 1.00 0.00 C ATOM 1615 C PHE A 107 4.996 0.563 2.945 1.00 0.00 C ATOM 1616 O PHE A 107 5.297 0.726 4.128 1.00 0.00 O ATOM 1617 CB PHE A 107 2.907 1.082 1.669 1.00 0.00 C ATOM 1618 CG PHE A 107 2.645 2.389 2.362 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.633 3.356 2.444 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.409 2.650 2.932 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.395 4.558 3.082 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.164 3.851 3.571 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.158 4.807 3.645 1.00 0.00 C ATOM 0 H PHE A 107 2.795 0.519 4.428 1.00 0.00 H new ATOM 0 HA PHE A 107 3.731 -0.876 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.515 1.265 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.960 0.666 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.601 3.168 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.628 1.906 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.175 5.302 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.197 4.042 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.969 5.747 4.142 1.00 0.00 H new ATOM 1633 N ILE A 108 5.832 0.814 1.944 1.00 0.00 N ATOM 1634 CA ILE A 108 7.183 1.306 2.182 1.00 0.00 C ATOM 1635 C ILE A 108 7.471 2.548 1.346 1.00 0.00 C ATOM 1636 O ILE A 108 7.378 2.518 0.119 1.00 0.00 O ATOM 1637 CB ILE A 108 8.239 0.231 1.864 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.639 0.742 2.210 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.162 -0.169 0.398 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.616 -0.361 2.556 1.00 0.00 C ATOM 0 H ILE A 108 5.598 0.685 0.960 1.00 0.00 H new ATOM 0 HA ILE A 108 7.243 1.561 3.240 1.00 0.00 H new ATOM 0 HB ILE A 108 8.034 -0.650 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.029 1.310 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.568 1.431 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.914 -0.929 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.171 -0.569 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.345 0.705 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.588 0.074 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.248 -0.915 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.717 -1.037 1.707 1.00 0.00 H new ATOM 1652 N ARG A 109 7.822 3.640 2.019 1.00 0.00 N ATOM 1653 CA ARG A 109 8.124 4.893 1.337 1.00 0.00 C ATOM 1654 C ARG A 109 9.588 4.939 0.909 1.00 0.00 C ATOM 1655 O ARG A 109 10.487 5.021 1.745 1.00 0.00 O ATOM 1656 CB ARG A 109 7.810 6.081 2.248 1.00 0.00 C ATOM 1657 CG ARG A 109 7.835 7.421 1.530 1.00 0.00 C ATOM 1658 CD ARG A 109 7.958 8.576 2.512 1.00 0.00 C ATOM 1659 NE ARG A 109 6.654 9.040 2.978 1.00 0.00 N ATOM 1660 CZ ARG A 109 6.489 9.830 4.033 1.00 0.00 C ATOM 1661 NH1 ARG A 109 7.541 10.243 4.727 1.00 0.00 N ATOM 1662 NH2 ARG A 109 5.270 10.209 4.396 1.00 0.00 N ATOM 0 H ARG A 109 7.904 3.682 3.035 1.00 0.00 H new ATOM 0 HA ARG A 109 7.501 4.953 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.826 5.936 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.531 6.102 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.671 7.445 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.925 7.537 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.558 8.263 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.488 9.401 2.036 1.00 0.00 H new ATOM 0 HE ARG A 109 5.824 8.741 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.479 9.954 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.412 10.850 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.458 9.894 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.145 10.816 5.206 1.00 0.00 H new ATOM 1676 N ASN A 110 9.818 4.885 -0.399 1.00 0.00 N ATOM 1677 CA ASN A 110 11.173 4.920 -0.938 1.00 0.00 C ATOM 1678 C ASN A 110 11.311 6.014 -1.992 1.00 0.00 C ATOM 1679 O ASN A 110 10.317 6.494 -2.536 1.00 0.00 O ATOM 1680 CB ASN A 110 11.538 3.563 -1.545 1.00 0.00 C ATOM 1681 CG ASN A 110 13.037 3.350 -1.626 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.820 4.270 -1.385 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.444 2.133 -1.967 1.00 0.00 N ATOM 0 H ASN A 110 9.085 4.817 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 110 11.857 5.141 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.093 2.769 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.109 3.488 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.441 1.930 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.760 1.401 -2.158 1.00 0.00 H new ATOM 1690 N GLU A 111 12.550 6.403 -2.275 1.00 0.00 N ATOM 1691 CA GLU A 111 12.818 7.441 -3.264 1.00 0.00 C ATOM 1692 C GLU A 111 12.986 6.837 -4.655 1.00 0.00 C ATOM 1693 O GLU A 111 12.812 7.519 -5.665 1.00 0.00 O ATOM 1694 CB GLU A 111 14.073 8.228 -2.883 1.00 0.00 C ATOM 1695 CG GLU A 111 15.323 7.370 -2.783 1.00 0.00 C ATOM 1696 CD GLU A 111 16.576 8.189 -2.543 1.00 0.00 C ATOM 1697 OE1 GLU A 111 16.551 9.406 -2.824 1.00 0.00 O ATOM 1698 OE2 GLU A 111 17.581 7.615 -2.075 1.00 0.00 O ATOM 0 H GLU A 111 13.384 6.015 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 111 11.964 8.119 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 111 14.239 9.011 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.905 8.723 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.202 6.652 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.439 6.796 -3.702 1.00 0.00 H new ATOM 1705 N ASP A 112 13.326 5.553 -4.699 1.00 0.00 N ATOM 1706 CA ASP A 112 13.517 4.856 -5.966 1.00 0.00 C ATOM 1707 C ASP A 112 12.185 4.366 -6.523 1.00 0.00 C ATOM 1708 O ASP A 112 12.044 4.156 -7.727 1.00 0.00 O ATOM 1709 CB ASP A 112 14.473 3.676 -5.783 1.00 0.00 C ATOM 1710 CG ASP A 112 15.792 4.090 -5.161 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.394 5.070 -5.646 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.223 3.433 -4.190 1.00 0.00 O ATOM 0 H ASP A 112 13.475 4.974 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 112 13.951 5.559 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 112 13.999 2.922 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.661 3.211 -6.751 1.00 0.00 H new ATOM 1717 N ALA A 113 11.210 4.184 -5.638 1.00 0.00 N ATOM 1718 CA ALA A 113 9.888 3.720 -6.042 1.00 0.00 C ATOM 1719 C ALA A 113 9.289 4.630 -7.109 1.00 0.00 C ATOM 1720 O ALA A 113 8.541 4.177 -7.976 1.00 0.00 O ATOM 1721 CB ALA A 113 8.966 3.640 -4.835 1.00 0.00 C ATOM 0 H ALA A 113 11.311 4.351 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 113 9.995 2.724 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.982 3.292 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.380 2.943 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.874 4.627 -4.382 1.00 0.00 H new ATOM 1727 N VAL A 114 9.621 5.915 -7.039 1.00 0.00 N ATOM 1728 CA VAL A 114 9.116 6.888 -8.000 1.00 0.00 C ATOM 1729 C VAL A 114 9.702 6.647 -9.387 1.00 0.00 C ATOM 1730 O VAL A 114 9.099 7.007 -10.397 1.00 0.00 O ATOM 1731 CB VAL A 114 9.440 8.329 -7.562 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.667 8.691 -6.302 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.936 8.496 -7.346 1.00 0.00 C ATOM 0 H VAL A 114 10.237 6.306 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 114 8.034 6.762 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 114 9.133 9.010 -8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.909 9.712 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.597 8.613 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.941 8.007 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.147 9.520 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.271 7.807 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.464 8.281 -8.275 1.00 0.00 H new ATOM 1743 N ASN A 115 10.880 6.034 -9.427 1.00 0.00 N ATOM 1744 CA ASN A 115 11.548 5.743 -10.691 1.00 0.00 C ATOM 1745 C ASN A 115 11.242 4.322 -11.154 1.00 0.00 C ATOM 1746 O ASN A 115 11.512 3.961 -12.299 1.00 0.00 O ATOM 1747 CB ASN A 115 13.060 5.931 -10.547 1.00 0.00 C ATOM 1748 CG ASN A 115 13.424 7.302 -10.010 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.584 8.200 -9.948 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.682 7.468 -9.618 1.00 0.00 N ATOM 0 H ASN A 115 11.392 5.729 -8.599 1.00 0.00 H new ATOM 0 HA ASN A 115 11.172 6.439 -11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.457 5.166 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.535 5.786 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.986 8.368 -9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.344 6.695 -9.688 1.00 0.00 H new ATOM 1757 N GLN A 116 10.678 3.522 -10.255 1.00 0.00 N ATOM 1758 CA GLN A 116 10.336 2.140 -10.572 1.00 0.00 C ATOM 1759 C GLN A 116 8.885 2.030 -11.028 1.00 0.00 C ATOM 1760 O GLN A 116 8.609 1.635 -12.161 1.00 0.00 O ATOM 1761 CB GLN A 116 10.570 1.242 -9.356 1.00 0.00 C ATOM 1762 CG GLN A 116 12.037 1.086 -8.989 1.00 0.00 C ATOM 1763 CD GLN A 116 12.292 -0.115 -8.100 1.00 0.00 C ATOM 1764 OE1 GLN A 116 11.540 -1.090 -8.124 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.356 -0.051 -7.308 1.00 0.00 N ATOM 0 H GLN A 116 10.448 3.806 -9.303 1.00 0.00 H new ATOM 0 HA GLN A 116 10.980 1.811 -11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.032 1.653 -8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.147 0.257 -9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.627 0.990 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.378 1.988 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.952 0.777 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.577 -0.829 -6.687 1.00 0.00 H new ATOM 1774 N MET A 117 7.962 2.380 -10.139 1.00 0.00 N ATOM 1775 CA MET A 117 6.538 2.321 -10.451 1.00 0.00 C ATOM 1776 C MET A 117 6.252 2.961 -11.805 1.00 0.00 C ATOM 1777 O MET A 117 6.811 4.006 -12.139 1.00 0.00 O ATOM 1778 CB MET A 117 5.726 3.020 -9.360 1.00 0.00 C ATOM 1779 CG MET A 117 5.843 4.536 -9.392 1.00 0.00 C ATOM 1780 SD MET A 117 4.973 5.329 -8.027 1.00 0.00 S ATOM 1781 CE MET A 117 5.465 7.036 -8.258 1.00 0.00 C ATOM 0 H MET A 117 8.174 2.708 -9.197 1.00 0.00 H new ATOM 0 HA MET A 117 6.244 1.272 -10.496 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.677 2.742 -9.465 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.055 2.659 -8.386 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.896 4.816 -9.358 1.00 0.00 H new ATOM 0 HG3 MET A 117 5.445 4.907 -10.336 1.00 0.00 H new ATOM 0 HE1 MET A 117 5.879 7.425 -7.327 1.00 0.00 H new ATOM 0 HE2 MET A 117 6.219 7.094 -9.043 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.597 7.629 -8.545 1.00 0.00 H new ATOM 1791 N ALA A 118 5.378 2.329 -12.581 1.00 0.00 N ATOM 1792 CA ALA A 118 5.016 2.839 -13.898 1.00 0.00 C ATOM 1793 C ALA A 118 3.914 3.887 -13.797 1.00 0.00 C ATOM 1794 O ALA A 118 2.737 3.554 -13.661 1.00 0.00 O ATOM 1795 CB ALA A 118 4.580 1.697 -14.804 1.00 0.00 C ATOM 0 H ALA A 118 4.907 1.462 -12.320 1.00 0.00 H new ATOM 0 HA ALA A 118 5.896 3.316 -14.330 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.313 2.092 -15.784 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.398 0.985 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.717 1.195 -14.367 1.00 0.00 H new