USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -160:sc=-0.00443 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.0547 USER MOD Set 2.2: A 81 HIS : no HE2:sc= -2.92! C(o=-2.9!,f=-6!) USER MOD Set 3.1: A 56 LYS NZ :NH3+ -107:sc= 0.847 (180deg=0) USER MOD Set 3.2: A 91 SER OG : rot 69:sc= 1.38 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.1) USER MOD Single : A 27 ASN : amide:sc= -0.77 K(o=-0.77,f=-0.041) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 120:sc= -0.155 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 48 GLN : amide:sc= -0.512 K(o=-0.51,f=-3!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0081 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.177 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -138:sc= -4.61! (180deg=-7.07!) USER MOD Single : A 92 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.49) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.00162 USER MOD Single : A 96 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.33) USER MOD Single : A 101 ASN : amide:sc= -3.19 K(o=-3.2,f=-5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 170:sc= 0.0998 USER MOD Single : A 115 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0023) USER MOD Single : A 116 THR OG1 : rot 177:sc= 1.71 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.509 -16.584 9.424 1.00 0.00 N ATOM 129 CA LEU A 13 5.164 -15.905 8.177 1.00 0.00 C ATOM 130 C LEU A 13 3.685 -16.113 7.836 1.00 0.00 C ATOM 131 O LEU A 13 3.140 -17.173 8.137 1.00 0.00 O ATOM 132 CB LEU A 13 5.995 -16.486 7.017 1.00 0.00 C ATOM 133 CG LEU A 13 7.465 -16.042 6.995 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.172 -16.748 5.842 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.605 -14.522 6.822 1.00 0.00 C ATOM 0 HA LEU A 13 5.370 -14.843 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.959 -17.574 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.529 -16.199 6.075 1.00 0.00 H new ATOM 0 HG LEU A 13 7.916 -16.308 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.218 -16.442 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.113 -17.827 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.691 -16.480 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.661 -14.253 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.144 -14.219 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.109 -14.014 7.649 1.00 0.00 H new ATOM 147 N PRO A 14 3.049 -15.170 7.120 1.00 0.00 N ATOM 148 CA PRO A 14 1.689 -15.348 6.614 1.00 0.00 C ATOM 149 C PRO A 14 1.663 -16.320 5.428 1.00 0.00 C ATOM 150 O PRO A 14 2.707 -16.675 4.878 1.00 0.00 O ATOM 151 CB PRO A 14 1.249 -13.959 6.155 1.00 0.00 C ATOM 152 CG PRO A 14 2.563 -13.341 5.707 1.00 0.00 C ATOM 153 CD PRO A 14 3.635 -13.943 6.595 1.00 0.00 C ATOM 0 HA PRO A 14 1.033 -15.765 7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.524 -14.009 5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.785 -13.391 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.759 -13.559 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.538 -12.256 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.544 -14.151 6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.909 -13.261 7.400 1.00 0.00 H new ATOM 161 N MET A 15 0.462 -16.678 4.974 1.00 0.00 N ATOM 162 CA MET A 15 0.216 -17.670 3.934 1.00 0.00 C ATOM 163 C MET A 15 -0.545 -17.117 2.731 1.00 0.00 C ATOM 164 O MET A 15 -0.331 -17.610 1.624 1.00 0.00 O ATOM 165 CB MET A 15 -0.571 -18.841 4.541 1.00 0.00 C ATOM 166 CG MET A 15 0.194 -19.559 5.656 1.00 0.00 C ATOM 167 SD MET A 15 -0.368 -21.251 6.008 1.00 0.00 S ATOM 168 CE MET A 15 -2.057 -20.941 6.579 1.00 0.00 C ATOM 0 H MET A 15 -0.398 -16.267 5.337 1.00 0.00 H new ATOM 0 HA MET A 15 1.189 -17.993 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.517 -18.470 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.813 -19.556 3.755 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.250 -19.592 5.388 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.114 -18.969 6.569 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.534 -21.887 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.031 -20.299 7.459 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.624 -20.450 5.788 1.00 0.00 H new ATOM 178 N VAL A 16 -1.426 -16.121 2.901 1.00 0.00 N ATOM 179 CA VAL A 16 -2.217 -15.582 1.793 1.00 0.00 C ATOM 180 C VAL A 16 -2.356 -14.061 1.895 1.00 0.00 C ATOM 181 O VAL A 16 -2.103 -13.473 2.948 1.00 0.00 O ATOM 182 CB VAL A 16 -3.585 -16.291 1.664 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.447 -17.790 1.384 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.547 -16.147 2.833 1.00 0.00 C ATOM 0 H VAL A 16 -1.607 -15.673 3.799 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.674 -15.790 0.871 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.017 -15.754 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.438 -18.238 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.905 -17.937 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.900 -18.264 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.467 -16.690 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.089 -16.555 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.776 -15.093 2.988 1.00 0.00 H new ATOM 194 N ALA A 17 -2.744 -13.441 0.779 1.00 0.00 N ATOM 195 CA ALA A 17 -3.041 -12.028 0.626 1.00 0.00 C ATOM 196 C ALA A 17 -4.486 -11.767 1.083 1.00 0.00 C ATOM 197 O ALA A 17 -5.246 -12.723 1.277 1.00 0.00 O ATOM 198 CB ALA A 17 -2.872 -11.671 -0.860 1.00 0.00 C ATOM 0 H ALA A 17 -2.865 -13.952 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.371 -11.416 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.089 -10.613 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.848 -11.878 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.560 -12.269 -1.458 1.00 0.00 H new ATOM 204 N PRO A 18 -4.908 -10.500 1.237 1.00 0.00 N ATOM 205 CA PRO A 18 -6.324 -10.185 1.358 1.00 0.00 C ATOM 206 C PRO A 18 -7.040 -10.407 0.018 1.00 0.00 C ATOM 207 O PRO A 18 -6.398 -10.374 -1.035 1.00 0.00 O ATOM 208 CB PRO A 18 -6.383 -8.740 1.868 1.00 0.00 C ATOM 209 CG PRO A 18 -4.946 -8.201 1.778 1.00 0.00 C ATOM 210 CD PRO A 18 -4.142 -9.277 1.061 1.00 0.00 C ATOM 0 HA PRO A 18 -6.849 -10.837 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.063 -8.140 1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.750 -8.703 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.915 -7.260 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.539 -8.005 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.017 -9.038 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.143 -9.372 1.487 1.00 0.00 H new ATOM 218 N GLY A 19 -8.369 -10.555 0.053 1.00 0.00 N ATOM 219 CA GLY A 19 -9.221 -10.847 -1.101 1.00 0.00 C ATOM 220 C GLY A 19 -9.344 -9.702 -2.101 1.00 0.00 C ATOM 221 O GLY A 19 -8.471 -8.836 -2.197 1.00 0.00 O ATOM 0 H GLY A 19 -8.899 -10.471 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.826 -11.722 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.217 -11.110 -0.744 1.00 0.00 H new ATOM 225 N ASN A 20 -10.452 -9.674 -2.843 1.00 0.00 N ATOM 226 CA ASN A 20 -10.811 -8.591 -3.753 1.00 0.00 C ATOM 227 C ASN A 20 -10.640 -7.243 -3.064 1.00 0.00 C ATOM 228 O ASN A 20 -11.122 -7.058 -1.942 1.00 0.00 O ATOM 229 CB ASN A 20 -12.267 -8.729 -4.224 1.00 0.00 C ATOM 230 CG ASN A 20 -12.723 -7.476 -4.966 1.00 0.00 C ATOM 231 OD1 ASN A 20 -12.420 -7.297 -6.133 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.436 -6.580 -4.301 1.00 0.00 N ATOM 0 H ASN A 20 -11.142 -10.425 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.149 -8.650 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.361 -9.597 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.916 -8.904 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.740 -5.724 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.681 -6.746 -3.325 1.00 0.00 H new ATOM 239 N VAL A 21 -9.976 -6.306 -3.724 1.00 0.00 N ATOM 240 CA VAL A 21 -9.731 -4.963 -3.239 1.00 0.00 C ATOM 241 C VAL A 21 -10.687 -4.066 -4.013 1.00 0.00 C ATOM 242 O VAL A 21 -10.983 -4.299 -5.189 1.00 0.00 O ATOM 243 CB VAL A 21 -8.253 -4.625 -3.514 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.852 -3.209 -3.091 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.356 -5.607 -2.767 1.00 0.00 C ATOM 0 H VAL A 21 -9.579 -6.471 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.901 -4.839 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.128 -4.695 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.798 -3.047 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.456 -2.482 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.016 -3.089 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.311 -5.366 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.551 -5.536 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.565 -6.621 -3.107 1.00 0.00 H new ATOM 255 N ARG A 22 -11.144 -3.008 -3.362 1.00 0.00 N ATOM 256 CA ARG A 22 -11.930 -1.939 -3.951 1.00 0.00 C ATOM 257 C ARG A 22 -11.292 -0.637 -3.500 1.00 0.00 C ATOM 258 O ARG A 22 -10.543 -0.628 -2.532 1.00 0.00 O ATOM 259 CB ARG A 22 -13.407 -2.139 -3.566 1.00 0.00 C ATOM 260 CG ARG A 22 -13.884 -1.620 -2.218 1.00 0.00 C ATOM 261 CD ARG A 22 -15.310 -2.123 -1.936 1.00 0.00 C ATOM 262 NE ARG A 22 -15.887 -1.485 -0.741 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.783 -1.999 0.112 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.201 -3.253 -0.006 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.280 -1.248 1.084 1.00 0.00 N ATOM 0 H ARG A 22 -10.969 -2.866 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.932 -1.929 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.017 -1.668 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.617 -3.208 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.209 -1.955 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.866 -0.530 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.944 -1.920 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.294 -3.204 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.566 -0.538 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.839 -3.843 -0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.884 -3.627 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.980 -0.278 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.962 -1.640 1.733 1.00 0.00 H new ATOM 279 N VAL A 23 -11.508 0.461 -4.196 1.00 0.00 N ATOM 280 CA VAL A 23 -11.058 1.778 -3.782 1.00 0.00 C ATOM 281 C VAL A 23 -12.128 2.743 -4.272 1.00 0.00 C ATOM 282 O VAL A 23 -12.823 2.471 -5.256 1.00 0.00 O ATOM 283 CB VAL A 23 -9.591 2.036 -4.244 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.223 1.228 -5.482 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.109 3.495 -4.348 1.00 0.00 C ATOM 0 H VAL A 23 -12.011 0.465 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.972 1.906 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.025 1.667 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.192 1.443 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.326 0.165 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.887 1.498 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.071 3.512 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.729 4.033 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.185 3.974 -3.372 1.00 0.00 H new ATOM 295 N ASN A 24 -12.292 3.837 -3.551 1.00 0.00 N ATOM 296 CA ASN A 24 -13.106 4.985 -3.906 1.00 0.00 C ATOM 297 C ASN A 24 -12.182 6.168 -3.862 1.00 0.00 C ATOM 298 O ASN A 24 -11.529 6.385 -2.845 1.00 0.00 O ATOM 299 CB ASN A 24 -14.270 5.258 -2.937 1.00 0.00 C ATOM 300 CG ASN A 24 -14.224 4.553 -1.599 1.00 0.00 C ATOM 301 OD1 ASN A 24 -14.590 3.385 -1.484 1.00 0.00 O ATOM 302 ND2 ASN A 24 -13.875 5.258 -0.547 1.00 0.00 N ATOM 0 H ASN A 24 -11.833 3.955 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.558 4.797 -4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.315 6.332 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.199 4.981 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.905 4.837 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.574 6.226 -0.659 1.00 0.00 H new ATOM 309 N VAL A 25 -12.157 6.965 -4.914 1.00 0.00 N ATOM 310 CA VAL A 25 -11.649 8.315 -4.776 1.00 0.00 C ATOM 311 C VAL A 25 -12.632 9.069 -3.883 1.00 0.00 C ATOM 312 O VAL A 25 -13.837 8.809 -3.913 1.00 0.00 O ATOM 313 CB VAL A 25 -11.417 8.915 -6.167 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.918 10.359 -6.089 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.369 8.019 -6.850 1.00 0.00 C ATOM 0 H VAL A 25 -12.474 6.710 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.674 8.369 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.351 8.948 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.766 10.746 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.656 10.972 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.975 10.389 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.162 8.399 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.450 8.022 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.751 7.001 -6.921 1.00 0.00 H new ATOM 325 N VAL A 26 -12.093 9.948 -3.045 1.00 0.00 N ATOM 326 CA VAL A 26 -12.868 10.765 -2.130 1.00 0.00 C ATOM 327 C VAL A 26 -12.754 12.200 -2.640 1.00 0.00 C ATOM 328 O VAL A 26 -13.771 12.836 -2.910 1.00 0.00 O ATOM 329 CB VAL A 26 -12.350 10.584 -0.686 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.131 11.479 0.279 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.351 9.098 -0.218 1.00 0.00 C ATOM 0 H VAL A 26 -11.088 10.112 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.919 10.476 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.305 10.895 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.753 11.339 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.009 12.522 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.188 11.214 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.976 9.038 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.367 8.705 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.710 8.509 -0.874 1.00 0.00 H new ATOM 341 N ASN A 27 -11.526 12.691 -2.828 1.00 0.00 N ATOM 342 CA ASN A 27 -11.224 14.068 -3.204 1.00 0.00 C ATOM 343 C ASN A 27 -10.219 14.052 -4.359 1.00 0.00 C ATOM 344 O ASN A 27 -9.897 12.990 -4.884 1.00 0.00 O ATOM 345 CB ASN A 27 -10.683 14.852 -2.004 1.00 0.00 C ATOM 346 CG ASN A 27 -11.559 14.808 -0.774 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.689 15.288 -0.773 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.021 14.226 0.280 1.00 0.00 N ATOM 0 H ASN A 27 -10.689 12.119 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.135 14.570 -3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.698 14.462 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.546 15.892 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.549 14.159 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.077 13.843 0.225 1.00 0.00 H new ATOM 355 N SER A 28 -9.667 15.204 -4.742 1.00 0.00 N ATOM 356 CA SER A 28 -8.693 15.252 -5.840 1.00 0.00 C ATOM 357 C SER A 28 -7.412 14.490 -5.518 1.00 0.00 C ATOM 358 O SER A 28 -6.798 13.899 -6.402 1.00 0.00 O ATOM 359 CB SER A 28 -8.302 16.688 -6.197 1.00 0.00 C ATOM 360 OG SER A 28 -8.390 17.615 -5.126 1.00 0.00 O ATOM 0 H SER A 28 -9.872 16.108 -4.316 1.00 0.00 H new ATOM 0 HA SER A 28 -9.196 14.780 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.280 16.687 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.942 17.032 -7.010 1.00 0.00 H new ATOM 0 HG SER A 28 -8.122 18.504 -5.440 1.00 0.00 H new ATOM 366 N THR A 29 -6.989 14.568 -4.261 1.00 0.00 N ATOM 367 CA THR A 29 -5.670 14.171 -3.801 1.00 0.00 C ATOM 368 C THR A 29 -5.794 13.120 -2.688 1.00 0.00 C ATOM 369 O THR A 29 -4.802 12.816 -2.018 1.00 0.00 O ATOM 370 CB THR A 29 -4.904 15.444 -3.385 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.630 16.173 -2.413 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.709 16.405 -4.566 1.00 0.00 C ATOM 0 H THR A 29 -7.580 14.923 -3.509 1.00 0.00 H new ATOM 0 HA THR A 29 -5.096 13.688 -4.591 1.00 0.00 H new ATOM 0 HB THR A 29 -3.943 15.100 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.126 16.975 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.166 17.288 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.141 15.906 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.682 16.704 -4.956 1.00 0.00 H new ATOM 380 N LEU A 30 -7.008 12.579 -2.501 1.00 0.00 N ATOM 381 CA LEU A 30 -7.373 11.599 -1.493 1.00 0.00 C ATOM 382 C LEU A 30 -8.213 10.507 -2.144 1.00 0.00 C ATOM 383 O LEU A 30 -9.174 10.807 -2.857 1.00 0.00 O ATOM 384 CB LEU A 30 -8.168 12.277 -0.362 1.00 0.00 C ATOM 385 CG LEU A 30 -8.259 11.513 0.963 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.231 10.342 0.922 1.00 0.00 C ATOM 387 CD2 LEU A 30 -6.871 11.126 1.485 1.00 0.00 C ATOM 0 H LEU A 30 -7.800 12.836 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.472 11.159 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.718 13.250 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.181 12.461 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.689 12.202 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.245 9.847 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.231 10.707 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.914 9.633 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.974 10.586 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.372 10.490 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.279 12.027 1.647 1.00 0.00 H new ATOM 399 N ALA A 31 -7.943 9.258 -1.784 1.00 0.00 N ATOM 400 CA ALA A 31 -8.770 8.103 -2.097 1.00 0.00 C ATOM 401 C ALA A 31 -8.793 7.208 -0.862 1.00 0.00 C ATOM 402 O ALA A 31 -7.968 7.377 0.036 1.00 0.00 O ATOM 403 CB ALA A 31 -8.216 7.377 -3.329 1.00 0.00 C ATOM 0 H ALA A 31 -7.111 9.015 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.789 8.400 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.842 6.514 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.214 8.057 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.198 7.044 -3.128 1.00 0.00 H new ATOM 409 N GLU A 32 -9.708 6.251 -0.803 1.00 0.00 N ATOM 410 CA GLU A 32 -9.869 5.332 0.302 1.00 0.00 C ATOM 411 C GLU A 32 -10.005 3.940 -0.316 1.00 0.00 C ATOM 412 O GLU A 32 -10.896 3.686 -1.125 1.00 0.00 O ATOM 413 CB GLU A 32 -11.054 5.802 1.167 1.00 0.00 C ATOM 414 CG GLU A 32 -11.604 4.675 2.055 1.00 0.00 C ATOM 415 CD GLU A 32 -11.835 5.035 3.521 1.00 0.00 C ATOM 416 OE1 GLU A 32 -10.866 5.313 4.263 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.995 5.042 3.981 1.00 0.00 O ATOM 0 H GLU A 32 -10.380 6.092 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.023 5.298 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.737 6.635 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.849 6.174 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.548 4.333 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.912 3.834 2.012 1.00 0.00 H new ATOM 424 N VAL A 33 -9.075 3.052 0.015 1.00 0.00 N ATOM 425 CA VAL A 33 -9.025 1.667 -0.420 1.00 0.00 C ATOM 426 C VAL A 33 -9.773 0.842 0.612 1.00 0.00 C ATOM 427 O VAL A 33 -9.705 1.150 1.801 1.00 0.00 O ATOM 428 CB VAL A 33 -7.560 1.193 -0.521 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.471 -0.190 -1.178 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.698 2.158 -1.343 1.00 0.00 C ATOM 0 H VAL A 33 -8.296 3.295 0.627 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.480 1.556 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.186 1.153 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.427 -0.499 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.030 -0.912 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.892 -0.143 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.675 1.784 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.100 2.235 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.705 3.142 -0.874 1.00 0.00 H new ATOM 440 N HIS A 34 -10.415 -0.236 0.173 1.00 0.00 N ATOM 441 CA HIS A 34 -11.005 -1.232 1.054 1.00 0.00 C ATOM 442 C HIS A 34 -10.555 -2.609 0.585 1.00 0.00 C ATOM 443 O HIS A 34 -10.682 -2.952 -0.592 1.00 0.00 O ATOM 444 CB HIS A 34 -12.530 -1.126 1.009 1.00 0.00 C ATOM 445 CG HIS A 34 -13.158 -0.272 2.080 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.997 -0.734 3.066 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.103 1.092 2.185 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.463 0.325 3.740 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.955 1.467 3.235 1.00 0.00 N ATOM 0 H HIS A 34 -10.540 -0.443 -0.818 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.682 -1.068 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.820 -0.728 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.948 -2.130 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.512 1.757 1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.150 0.272 4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.151 2.416 3.553 1.00 0.00 H new ATOM 457 N TRP A 35 -10.120 -3.436 1.518 1.00 0.00 N ATOM 458 CA TRP A 35 -9.751 -4.832 1.346 1.00 0.00 C ATOM 459 C TRP A 35 -10.684 -5.687 2.217 1.00 0.00 C ATOM 460 O TRP A 35 -11.808 -5.260 2.506 1.00 0.00 O ATOM 461 CB TRP A 35 -8.245 -5.001 1.621 1.00 0.00 C ATOM 462 CG TRP A 35 -7.764 -4.514 2.947 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.751 -5.225 4.098 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.241 -3.195 3.276 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.265 -4.431 5.114 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.916 -3.180 4.660 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.039 -2.001 2.552 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.401 -2.044 5.290 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.517 -0.854 3.177 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.167 -0.884 4.539 1.00 0.00 C ATOM 0 H TRP A 35 -10.007 -3.130 2.484 1.00 0.00 H new ATOM 0 HA TRP A 35 -9.889 -5.180 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.996 -6.058 1.532 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -7.692 -4.477 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.071 -6.251 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.175 -4.734 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.289 -1.967 1.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.185 -2.060 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.384 0.054 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.720 -0.018 5.004 1.00 0.00 H new ATOM 481 N ASP A 36 -10.291 -6.910 2.561 1.00 0.00 N ATOM 482 CA ASP A 36 -11.073 -7.898 3.299 1.00 0.00 C ATOM 483 C ASP A 36 -10.237 -8.472 4.450 1.00 0.00 C ATOM 484 O ASP A 36 -9.029 -8.674 4.283 1.00 0.00 O ATOM 485 CB ASP A 36 -11.605 -8.961 2.331 1.00 0.00 C ATOM 486 CG ASP A 36 -11.903 -10.313 2.976 1.00 0.00 C ATOM 487 OD1 ASP A 36 -12.966 -10.443 3.619 1.00 0.00 O ATOM 488 OD2 ASP A 36 -11.110 -11.263 2.792 1.00 0.00 O ATOM 0 H ASP A 36 -9.364 -7.259 2.318 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.945 -7.433 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.516 -8.586 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.876 -9.106 1.534 1.00 0.00 H new ATOM 493 N PRO A 37 -10.834 -8.644 5.643 1.00 0.00 N ATOM 494 CA PRO A 37 -10.135 -9.097 6.830 1.00 0.00 C ATOM 495 C PRO A 37 -9.899 -10.594 6.736 1.00 0.00 C ATOM 496 O PRO A 37 -10.813 -11.388 6.958 1.00 0.00 O ATOM 497 CB PRO A 37 -11.025 -8.724 8.010 1.00 0.00 C ATOM 498 CG PRO A 37 -12.435 -8.637 7.444 1.00 0.00 C ATOM 499 CD PRO A 37 -12.225 -8.343 5.959 1.00 0.00 C ATOM 0 HA PRO A 37 -9.154 -8.635 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.965 -9.473 8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.719 -7.774 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.982 -9.568 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.011 -7.849 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.896 -8.949 5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.450 -7.299 5.740 1.00 0.00 H new ATOM 507 N VAL A 38 -8.682 -10.980 6.377 1.00 0.00 N ATOM 508 CA VAL A 38 -8.294 -12.385 6.351 1.00 0.00 C ATOM 509 C VAL A 38 -8.273 -12.932 7.785 1.00 0.00 C ATOM 510 O VAL A 38 -8.137 -12.152 8.737 1.00 0.00 O ATOM 511 CB VAL A 38 -6.951 -12.552 5.618 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.060 -12.022 4.199 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.769 -11.921 6.343 1.00 0.00 C ATOM 0 H VAL A 38 -7.942 -10.336 6.098 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.023 -12.971 5.792 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.744 -13.622 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.104 -12.145 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.831 -12.575 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.324 -10.965 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.859 -12.081 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.942 -10.851 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.659 -12.379 7.326 1.00 0.00 H new ATOM 523 N PRO A 39 -8.376 -14.256 7.957 1.00 0.00 N ATOM 524 CA PRO A 39 -8.373 -14.878 9.262 1.00 0.00 C ATOM 525 C PRO A 39 -6.967 -14.798 9.851 1.00 0.00 C ATOM 526 O PRO A 39 -5.972 -14.964 9.141 1.00 0.00 O ATOM 527 CB PRO A 39 -8.817 -16.325 9.018 1.00 0.00 C ATOM 528 CG PRO A 39 -8.470 -16.606 7.556 1.00 0.00 C ATOM 529 CD PRO A 39 -8.436 -15.240 6.895 1.00 0.00 C ATOM 0 HA PRO A 39 -9.038 -14.391 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.300 -17.014 9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.885 -16.446 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.508 -17.112 7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.214 -17.252 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.571 -15.151 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.322 -15.088 6.278 1.00 0.00 H new ATOM 537 N LEU A 40 -6.877 -14.687 11.178 1.00 0.00 N ATOM 538 CA LEU A 40 -5.610 -14.780 11.908 1.00 0.00 C ATOM 539 C LEU A 40 -4.874 -16.088 11.559 1.00 0.00 C ATOM 540 O LEU A 40 -3.651 -16.176 11.650 1.00 0.00 O ATOM 541 CB LEU A 40 -5.885 -14.598 13.411 1.00 0.00 C ATOM 542 CG LEU A 40 -4.692 -13.975 14.168 1.00 0.00 C ATOM 543 CD1 LEU A 40 -5.195 -12.982 15.217 1.00 0.00 C ATOM 544 CD2 LEU A 40 -3.811 -15.015 14.867 1.00 0.00 C ATOM 0 H LEU A 40 -7.685 -14.529 11.780 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.933 -13.981 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.762 -13.964 13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.123 -15.566 13.852 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.084 -13.474 13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.345 -12.549 15.745 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.760 -12.189 14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.839 -13.499 15.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.991 -14.512 15.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.407 -15.569 15.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.406 -15.705 14.127 1.00 0.00 H new ATOM 556 N LYS A 41 -5.607 -17.101 11.088 1.00 0.00 N ATOM 557 CA LYS A 41 -5.096 -18.368 10.591 1.00 0.00 C ATOM 558 C LYS A 41 -4.183 -18.250 9.369 1.00 0.00 C ATOM 559 O LYS A 41 -3.128 -18.877 9.386 1.00 0.00 O ATOM 560 CB LYS A 41 -6.273 -19.314 10.307 1.00 0.00 C ATOM 561 CG LYS A 41 -5.980 -20.768 10.693 1.00 0.00 C ATOM 562 CD LYS A 41 -6.057 -21.038 12.208 1.00 0.00 C ATOM 563 CE LYS A 41 -4.685 -21.016 12.893 1.00 0.00 C ATOM 564 NZ LYS A 41 -4.819 -21.000 14.360 1.00 0.00 N ATOM 0 H LYS A 41 -6.625 -17.050 11.044 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.459 -18.775 11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.150 -18.968 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.521 -19.268 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.688 -21.420 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.985 -21.035 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.700 -20.290 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.524 -22.008 12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.110 -21.890 12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.128 -20.138 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.874 -20.985 14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.347 -20.153 14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.330 -21.851 14.671 1.00 0.00 H new ATOM 578 N SER A 42 -4.536 -17.494 8.322 1.00 0.00 N ATOM 579 CA SER A 42 -3.636 -17.319 7.175 1.00 0.00 C ATOM 580 C SER A 42 -2.455 -16.437 7.576 1.00 0.00 C ATOM 581 O SER A 42 -1.358 -16.620 7.061 1.00 0.00 O ATOM 582 CB SER A 42 -4.362 -16.714 5.977 1.00 0.00 C ATOM 583 OG SER A 42 -5.178 -15.629 6.343 1.00 0.00 O ATOM 0 H SER A 42 -5.425 -17.000 8.245 1.00 0.00 H new ATOM 0 HA SER A 42 -3.273 -18.303 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.630 -16.384 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.972 -17.480 5.499 1.00 0.00 H new ATOM 0 HG SER A 42 -4.882 -14.823 5.870 1.00 0.00 H new ATOM 589 N ILE A 43 -2.665 -15.490 8.494 1.00 0.00 N ATOM 590 CA ILE A 43 -1.617 -14.616 9.016 1.00 0.00 C ATOM 591 C ILE A 43 -0.631 -15.438 9.870 1.00 0.00 C ATOM 592 O ILE A 43 0.535 -15.067 9.991 1.00 0.00 O ATOM 593 CB ILE A 43 -2.261 -13.453 9.804 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.287 -12.667 8.948 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.203 -12.444 10.277 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.330 -11.922 9.787 1.00 0.00 C ATOM 0 H ILE A 43 -3.583 -15.308 8.900 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.045 -14.178 8.198 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.761 -13.917 10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.755 -11.951 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.797 -13.359 8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.689 -11.639 10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.486 -12.946 10.926 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.683 -12.030 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.017 -11.393 9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.887 -12.636 10.393 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.829 -11.206 10.439 1.00 0.00 H new ATOM 608 N ARG A 44 -1.089 -16.558 10.445 1.00 0.00 N ATOM 609 CA ARG A 44 -0.390 -17.450 11.376 1.00 0.00 C ATOM 610 C ARG A 44 -0.076 -16.808 12.729 1.00 0.00 C ATOM 611 O ARG A 44 0.487 -17.479 13.594 1.00 0.00 O ATOM 612 CB ARG A 44 0.841 -18.107 10.719 1.00 0.00 C ATOM 613 CG ARG A 44 0.469 -18.901 9.447 1.00 0.00 C ATOM 614 CD ARG A 44 1.075 -20.307 9.391 1.00 0.00 C ATOM 615 NE ARG A 44 0.703 -21.103 10.572 1.00 0.00 N ATOM 616 CZ ARG A 44 1.418 -22.103 11.090 1.00 0.00 C ATOM 617 NH1 ARG A 44 2.437 -22.630 10.418 1.00 0.00 N ATOM 618 NH2 ARG A 44 1.100 -22.569 12.289 1.00 0.00 N ATOM 0 H ARG A 44 -2.035 -16.889 10.255 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.091 -18.251 11.611 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.569 -17.337 10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.320 -18.775 11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.616 -18.982 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.797 -18.340 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.736 -20.814 8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.161 -20.234 9.328 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.176 -20.870 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.680 -22.270 9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.976 -23.394 10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.318 -22.163 12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.637 -23.333 12.698 1.00 0.00 H new ATOM 632 N GLY A 45 -0.507 -15.575 12.978 1.00 0.00 N ATOM 633 CA GLY A 45 -0.134 -14.820 14.158 1.00 0.00 C ATOM 634 C GLY A 45 -0.679 -13.407 14.037 1.00 0.00 C ATOM 635 O GLY A 45 -1.619 -13.172 13.276 1.00 0.00 O ATOM 0 H GLY A 45 -1.135 -15.069 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.530 -15.300 15.053 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.951 -14.797 14.262 1.00 0.00 H new ATOM 639 N HIS A 46 -0.138 -12.470 14.813 1.00 0.00 N ATOM 640 CA HIS A 46 -0.644 -11.110 14.884 1.00 0.00 C ATOM 641 C HIS A 46 -0.329 -10.376 13.588 1.00 0.00 C ATOM 642 O HIS A 46 0.834 -10.082 13.305 1.00 0.00 O ATOM 643 CB HIS A 46 0.003 -10.340 16.037 1.00 0.00 C ATOM 644 CG HIS A 46 -0.526 -10.633 17.414 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.232 -11.019 18.494 1.00 0.00 N ATOM 646 CD2 HIS A 46 -1.798 -10.389 17.858 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.569 -11.001 19.574 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.817 -10.631 19.235 1.00 0.00 N ATOM 0 H HIS A 46 0.670 -12.639 15.413 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.721 -11.164 15.045 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.073 -10.549 16.030 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.115 -9.274 15.845 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.634 -10.068 17.255 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.253 -11.250 20.576 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.619 -10.544 19.859 1.00 0.00 H new ATOM 656 N LEU A 47 -1.379 -10.018 12.851 1.00 0.00 N ATOM 657 CA LEU A 47 -1.324 -9.027 11.790 1.00 0.00 C ATOM 658 C LEU A 47 -0.758 -7.749 12.387 1.00 0.00 C ATOM 659 O LEU A 47 -1.319 -7.199 13.335 1.00 0.00 O ATOM 660 CB LEU A 47 -2.738 -8.838 11.224 1.00 0.00 C ATOM 661 CG LEU A 47 -2.923 -7.828 10.084 1.00 0.00 C ATOM 662 CD1 LEU A 47 -3.146 -6.410 10.601 1.00 0.00 C ATOM 663 CD2 LEU A 47 -1.884 -7.908 8.973 1.00 0.00 C ATOM 0 H LEU A 47 -2.308 -10.419 12.981 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.682 -9.335 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.091 -9.808 10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.390 -8.540 12.045 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.844 -8.135 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.272 -5.731 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.041 -6.386 11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.285 -6.099 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.102 -7.154 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.892 -7.729 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.913 -8.898 8.518 1.00 0.00 H new ATOM 675 N GLN A 48 0.362 -7.292 11.846 1.00 0.00 N ATOM 676 CA GLN A 48 1.002 -6.048 12.251 1.00 0.00 C ATOM 677 C GLN A 48 0.374 -4.886 11.487 1.00 0.00 C ATOM 678 O GLN A 48 0.213 -3.792 12.030 1.00 0.00 O ATOM 679 CB GLN A 48 2.524 -6.142 12.022 1.00 0.00 C ATOM 680 CG GLN A 48 3.236 -7.118 12.981 1.00 0.00 C ATOM 681 CD GLN A 48 3.219 -6.746 14.468 1.00 0.00 C ATOM 682 OE1 GLN A 48 2.172 -6.581 15.089 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.359 -6.724 15.131 1.00 0.00 N ATOM 0 H GLN A 48 0.859 -7.782 11.102 1.00 0.00 H new ATOM 0 HA GLN A 48 0.846 -5.872 13.315 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.709 -6.456 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.962 -5.150 12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.779 -8.101 12.869 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.275 -7.212 12.664 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.240 -6.859 14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.360 -6.572 16.140 1.00 0.00 H new ATOM 692 N GLY A 49 -0.077 -5.131 10.257 1.00 0.00 N ATOM 693 CA GLY A 49 -0.718 -4.130 9.443 1.00 0.00 C ATOM 694 C GLY A 49 -0.798 -4.603 8.007 1.00 0.00 C ATOM 695 O GLY A 49 -0.098 -5.533 7.593 1.00 0.00 O ATOM 0 H GLY A 49 -0.001 -6.042 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.719 -3.926 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.160 -3.195 9.496 1.00 0.00 H new ATOM 699 N TYR A 50 -1.571 -3.876 7.223 1.00 0.00 N ATOM 700 CA TYR A 50 -1.702 -4.077 5.793 1.00 0.00 C ATOM 701 C TYR A 50 -0.801 -3.029 5.143 1.00 0.00 C ATOM 702 O TYR A 50 -1.015 -1.825 5.311 1.00 0.00 O ATOM 703 CB TYR A 50 -3.180 -3.975 5.394 1.00 0.00 C ATOM 704 CG TYR A 50 -4.020 -5.157 5.868 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.492 -5.221 7.195 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.332 -6.203 4.978 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.287 -6.300 7.621 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.128 -7.283 5.401 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.618 -7.331 6.721 1.00 0.00 C ATOM 710 OH TYR A 50 -6.433 -8.354 7.096 1.00 0.00 O ATOM 0 H TYR A 50 -2.142 -3.107 7.574 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.388 -5.066 5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.597 -3.055 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.251 -3.901 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.241 -4.434 7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.958 -6.176 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.644 -6.338 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.365 -8.079 4.711 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.065 -8.037 7.775 1.00 0.00 H new ATOM 720 N ARG A 51 0.282 -3.470 4.493 1.00 0.00 N ATOM 721 CA ARG A 51 1.116 -2.558 3.719 1.00 0.00 C ATOM 722 C ARG A 51 0.408 -2.382 2.387 1.00 0.00 C ATOM 723 O ARG A 51 -0.149 -3.348 1.857 1.00 0.00 O ATOM 724 CB ARG A 51 2.544 -3.111 3.566 1.00 0.00 C ATOM 725 CG ARG A 51 3.491 -2.153 2.824 1.00 0.00 C ATOM 726 CD ARG A 51 4.958 -2.565 3.009 1.00 0.00 C ATOM 727 NE ARG A 51 5.443 -2.195 4.348 1.00 0.00 N ATOM 728 CZ ARG A 51 6.190 -2.918 5.192 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.624 -4.139 4.893 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.501 -2.380 6.367 1.00 0.00 N ATOM 0 H ARG A 51 0.595 -4.441 4.490 1.00 0.00 H new ATOM 0 HA ARG A 51 1.238 -1.594 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.953 -3.321 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.504 -4.059 3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.245 -2.144 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.347 -1.137 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.058 -3.641 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.574 -2.084 2.249 1.00 0.00 H new ATOM 0 HE ARG A 51 5.175 -1.267 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.390 -4.557 3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.191 -4.657 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.172 -1.444 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.069 -2.904 7.033 1.00 0.00 H new ATOM 744 N ILE A 52 0.450 -1.177 1.838 1.00 0.00 N ATOM 745 CA ILE A 52 0.001 -0.905 0.485 1.00 0.00 C ATOM 746 C ILE A 52 1.250 -0.552 -0.310 1.00 0.00 C ATOM 747 O ILE A 52 2.166 0.091 0.204 1.00 0.00 O ATOM 748 CB ILE A 52 -1.111 0.173 0.497 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.369 -0.463 1.139 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.430 0.711 -0.915 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.636 0.394 1.114 1.00 0.00 C ATOM 0 H ILE A 52 0.801 -0.353 2.327 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.474 -1.759 0.003 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.770 1.033 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.579 -1.403 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.140 -0.708 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.216 1.463 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.534 1.159 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.766 -0.109 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.452 -0.150 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.457 1.324 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.903 0.619 0.081 1.00 0.00 H new ATOM 763 N TYR A 53 1.275 -0.981 -1.564 1.00 0.00 N ATOM 764 CA TYR A 53 2.206 -0.559 -2.598 1.00 0.00 C ATOM 765 C TYR A 53 1.358 0.207 -3.600 1.00 0.00 C ATOM 766 O TYR A 53 0.227 -0.201 -3.837 1.00 0.00 O ATOM 767 CB TYR A 53 2.840 -1.794 -3.250 1.00 0.00 C ATOM 768 CG TYR A 53 3.940 -2.396 -2.400 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.627 -3.216 -1.297 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.274 -2.030 -2.651 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.636 -3.598 -0.394 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.286 -2.407 -1.750 1.00 0.00 C ATOM 773 CZ TYR A 53 5.962 -3.149 -0.593 1.00 0.00 C ATOM 774 OH TYR A 53 6.920 -3.411 0.336 1.00 0.00 O ATOM 0 H TYR A 53 0.607 -1.672 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 53 3.020 0.054 -2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.069 -2.544 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.246 -1.519 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.612 -3.551 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.521 -1.460 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.399 -4.232 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.312 -2.129 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 53 7.774 -3.032 0.041 1.00 0.00 H new ATOM 784 N TYR A 54 1.833 1.310 -4.171 1.00 0.00 N ATOM 785 CA TYR A 54 1.164 2.043 -5.236 1.00 0.00 C ATOM 786 C TYR A 54 2.187 2.802 -6.078 1.00 0.00 C ATOM 787 O TYR A 54 3.323 3.005 -5.653 1.00 0.00 O ATOM 788 CB TYR A 54 0.113 2.987 -4.621 1.00 0.00 C ATOM 789 CG TYR A 54 0.672 4.125 -3.801 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.958 3.897 -2.448 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.819 5.410 -4.351 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.327 4.971 -1.618 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.218 6.485 -3.535 1.00 0.00 C ATOM 794 CZ TYR A 54 1.433 6.279 -2.151 1.00 0.00 C ATOM 795 OH TYR A 54 1.764 7.317 -1.331 1.00 0.00 O ATOM 0 H TYR A 54 2.721 1.729 -3.896 1.00 0.00 H new ATOM 0 HA TYR A 54 0.651 1.348 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.493 3.404 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.555 2.400 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.895 2.898 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.626 5.573 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.530 4.798 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.360 7.466 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 54 1.796 8.147 -1.851 1.00 0.00 H new ATOM 805 N TRP A 55 1.810 3.220 -7.283 1.00 0.00 N ATOM 806 CA TRP A 55 2.634 4.075 -8.131 1.00 0.00 C ATOM 807 C TRP A 55 1.729 4.966 -8.977 1.00 0.00 C ATOM 808 O TRP A 55 0.566 4.629 -9.218 1.00 0.00 O ATOM 809 CB TRP A 55 3.602 3.236 -8.981 1.00 0.00 C ATOM 810 CG TRP A 55 3.017 2.184 -9.867 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.871 2.299 -11.204 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.530 0.851 -9.518 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.238 1.181 -11.698 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.991 0.260 -10.698 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.475 0.084 -8.331 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.362 -0.991 -10.674 1.00 0.00 C ATOM 817 CZ3 TRP A 55 1.863 -1.185 -8.300 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.293 -1.713 -9.470 1.00 0.00 C ATOM 0 H TRP A 55 0.914 2.972 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 55 3.256 4.720 -7.511 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.177 3.919 -9.606 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.307 2.751 -8.306 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.201 3.140 -11.796 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.984 1.049 -12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.913 0.480 -7.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.932 -1.399 -11.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.832 -1.750 -7.380 1.00 0.00 H new ATOM 0 HH2 TRP A 55 0.801 -2.674 -9.445 1.00 0.00 H new ATOM 829 N LYS A 56 2.261 6.091 -9.455 1.00 0.00 N ATOM 830 CA LYS A 56 1.562 6.982 -10.386 1.00 0.00 C ATOM 831 C LYS A 56 1.443 6.264 -11.727 1.00 0.00 C ATOM 832 O LYS A 56 2.415 5.612 -12.129 1.00 0.00 O ATOM 833 CB LYS A 56 2.368 8.289 -10.509 1.00 0.00 C ATOM 834 CG LYS A 56 1.560 9.578 -10.721 1.00 0.00 C ATOM 835 CD LYS A 56 0.740 9.641 -12.004 1.00 0.00 C ATOM 836 CE LYS A 56 0.096 11.016 -12.166 1.00 0.00 C ATOM 837 NZ LYS A 56 -0.484 11.188 -13.507 1.00 0.00 N ATOM 0 H LYS A 56 3.196 6.414 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 56 0.561 7.232 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.966 8.407 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.064 8.183 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.886 9.706 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.249 10.423 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.380 9.430 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.032 8.872 -11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.682 11.145 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.842 11.791 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.109 11.838 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.529 10.266 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.443 11.581 -13.423 1.00 0.00 H new ATOM 851 N THR A 57 0.308 6.400 -12.409 1.00 0.00 N ATOM 852 CA THR A 57 0.122 5.931 -13.778 1.00 0.00 C ATOM 853 C THR A 57 -0.004 7.155 -14.692 1.00 0.00 C ATOM 854 O THR A 57 -0.537 8.200 -14.289 1.00 0.00 O ATOM 855 CB THR A 57 -1.156 5.079 -13.921 1.00 0.00 C ATOM 856 OG1 THR A 57 -1.612 4.538 -12.704 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.974 3.917 -14.892 1.00 0.00 C ATOM 0 H THR A 57 -0.522 6.847 -12.018 1.00 0.00 H new ATOM 0 HA THR A 57 0.977 5.312 -14.050 1.00 0.00 H new ATOM 0 HB THR A 57 -1.896 5.783 -14.301 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.204 3.779 -12.885 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.902 3.349 -14.957 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.715 4.304 -15.878 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.175 3.267 -14.536 1.00 0.00 H new ATOM 1096 N LYS A 71 5.763 3.686 -4.482 1.00 0.00 N ATOM 1097 CA LYS A 71 5.468 4.186 -3.162 1.00 0.00 C ATOM 1098 C LYS A 71 4.731 3.137 -2.362 1.00 0.00 C ATOM 1099 O LYS A 71 4.274 2.108 -2.864 1.00 0.00 O ATOM 1100 CB LYS A 71 4.629 5.463 -3.266 1.00 0.00 C ATOM 1101 CG LYS A 71 5.554 6.674 -3.224 1.00 0.00 C ATOM 1102 CD LYS A 71 4.770 7.922 -2.847 1.00 0.00 C ATOM 1103 CE LYS A 71 5.717 9.101 -2.630 1.00 0.00 C ATOM 1104 NZ LYS A 71 5.086 10.179 -1.846 1.00 0.00 N ATOM 0 HA LYS A 71 6.403 4.419 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.055 5.461 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.912 5.509 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.353 6.506 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.027 6.813 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.055 8.162 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.195 7.738 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.614 8.756 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.035 9.493 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.762 10.959 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.244 10.527 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.806 9.812 -0.914 1.00 0.00 H new ATOM 1118 N ILE A 72 4.672 3.435 -1.077 1.00 0.00 N ATOM 1119 CA ILE A 72 4.378 2.508 -0.007 1.00 0.00 C ATOM 1120 C ILE A 72 3.461 3.267 0.932 1.00 0.00 C ATOM 1121 O ILE A 72 3.525 4.497 1.036 1.00 0.00 O ATOM 1122 CB ILE A 72 5.665 2.042 0.715 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.829 1.776 -0.249 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.405 0.860 1.674 1.00 0.00 C ATOM 1125 CD1 ILE A 72 6.729 0.454 -0.952 1.00 0.00 C ATOM 0 H ILE A 72 4.837 4.382 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 72 3.912 1.597 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 72 5.982 2.879 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.865 2.573 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.767 1.814 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.339 0.570 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.683 1.160 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.010 0.015 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.583 0.330 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.723 -0.350 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.808 0.420 -1.534 1.00 0.00 H new ATOM 1137 N LEU A 73 2.624 2.538 1.643 1.00 0.00 N ATOM 1138 CA LEU A 73 1.857 3.108 2.727 1.00 0.00 C ATOM 1139 C LEU A 73 1.612 2.061 3.808 1.00 0.00 C ATOM 1140 O LEU A 73 1.717 0.854 3.562 1.00 0.00 O ATOM 1141 CB LEU A 73 0.559 3.710 2.167 1.00 0.00 C ATOM 1142 CG LEU A 73 0.318 5.138 2.702 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.035 6.211 1.673 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.885 5.103 3.599 1.00 0.00 C ATOM 0 H LEU A 73 2.459 1.544 1.486 1.00 0.00 H new ATOM 0 HA LEU A 73 2.413 3.916 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.608 3.732 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.284 3.073 2.436 1.00 0.00 H new ATOM 0 HG LEU A 73 1.270 5.405 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.179 7.166 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.775 6.301 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.954 5.932 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.076 6.102 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.752 4.763 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.702 4.418 4.427 1.00 0.00 H new ATOM 1156 N THR A 74 1.287 2.534 5.006 1.00 0.00 N ATOM 1157 CA THR A 74 1.391 1.770 6.237 1.00 0.00 C ATOM 1158 C THR A 74 0.094 1.965 7.019 1.00 0.00 C ATOM 1159 O THR A 74 -0.071 2.973 7.712 1.00 0.00 O ATOM 1160 CB THR A 74 2.635 2.268 6.996 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.783 2.185 6.164 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.916 1.480 8.275 1.00 0.00 C ATOM 0 H THR A 74 0.936 3.481 5.148 1.00 0.00 H new ATOM 0 HA THR A 74 1.515 0.701 6.065 1.00 0.00 H new ATOM 0 HB THR A 74 2.423 3.300 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.567 2.506 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.805 1.881 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.064 1.565 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.080 0.431 8.028 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.838 1.020 6.902 1.00 0.00 N ATOM 1171 CA PHE A 75 -2.017 0.960 7.756 1.00 0.00 C ATOM 1172 C PHE A 75 -1.782 -0.174 8.722 1.00 0.00 C ATOM 1173 O PHE A 75 -1.585 -1.321 8.321 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.302 0.824 6.945 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.514 2.067 6.111 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.698 3.318 6.741 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.377 1.998 4.717 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.731 4.500 5.987 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.414 3.180 3.968 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.578 4.426 4.597 1.00 0.00 C ATOM 0 H PHE A 75 -0.794 0.273 6.209 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.159 1.888 8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.245 -0.053 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.150 0.674 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.814 3.365 7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.245 1.045 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.873 5.455 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.315 3.134 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.586 5.330 4.006 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.615 0.183 9.986 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.331 -0.777 11.032 1.00 0.00 C ATOM 1192 C GLN A 76 -2.633 -1.371 11.559 1.00 0.00 C ATOM 1193 O GLN A 76 -3.711 -0.811 11.331 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.545 -0.062 12.138 1.00 0.00 C ATOM 1195 CG GLN A 76 -1.431 0.907 12.945 1.00 0.00 C ATOM 1196 CD GLN A 76 -0.614 1.926 13.719 1.00 0.00 C ATOM 1197 OE1 GLN A 76 -0.177 1.678 14.844 1.00 0.00 O ATOM 1198 NE2 GLN A 76 -0.374 3.075 13.120 1.00 0.00 N ATOM 0 H GLN A 76 -1.673 1.148 10.312 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.731 -1.602 10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.112 -0.802 12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.284 0.489 11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.108 1.427 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.050 0.338 13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.749 3.252 12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.187 3.787 13.588 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.512 -2.454 12.326 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.648 -3.129 12.933 1.00 0.00 C ATOM 1209 C GLY A 77 -4.560 -3.748 11.876 1.00 0.00 C ATOM 1210 O GLY A 77 -4.381 -3.551 10.669 1.00 0.00 O ATOM 0 H GLY A 77 -1.614 -2.887 12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.292 -3.907 13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.216 -2.419 13.535 1.00 0.00 H new ATOM 1214 N SER A 78 -5.553 -4.515 12.314 1.00 0.00 N ATOM 1215 CA SER A 78 -6.443 -5.251 11.422 1.00 0.00 C ATOM 1216 C SER A 78 -7.611 -4.375 10.949 1.00 0.00 C ATOM 1217 O SER A 78 -8.758 -4.827 10.883 1.00 0.00 O ATOM 1218 CB SER A 78 -6.896 -6.555 12.086 1.00 0.00 C ATOM 1219 OG SER A 78 -5.828 -7.348 12.565 1.00 0.00 O ATOM 0 H SER A 78 -5.764 -4.644 13.303 1.00 0.00 H new ATOM 0 HA SER A 78 -5.896 -5.525 10.520 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.562 -6.318 12.916 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.475 -7.136 11.368 1.00 0.00 H new ATOM 0 HG SER A 78 -6.185 -8.162 12.978 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.357 -3.109 10.611 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.284 -2.327 9.809 1.00 0.00 C ATOM 1227 C LYS A 79 -8.436 -2.946 8.432 1.00 0.00 C ATOM 1228 O LYS A 79 -7.521 -3.606 7.936 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.781 -0.881 9.692 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.679 0.056 10.504 1.00 0.00 C ATOM 1231 CD LYS A 79 -9.749 0.773 9.683 1.00 0.00 C ATOM 1232 CE LYS A 79 -9.113 1.900 8.877 1.00 0.00 C ATOM 1233 NZ LYS A 79 -8.965 3.153 9.645 1.00 0.00 N ATOM 0 H LYS A 79 -6.512 -2.607 10.884 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.259 -2.322 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.754 -0.815 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.773 -0.574 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.167 -0.520 11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.055 0.802 10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.240 0.067 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.518 1.175 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.132 1.578 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.720 2.093 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.527 3.879 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.901 3.481 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.362 2.982 10.475 1.00 0.00 H new ATOM 1247 N THR A 80 -9.570 -2.650 7.817 1.00 0.00 N ATOM 1248 CA THR A 80 -10.027 -3.176 6.543 1.00 0.00 C ATOM 1249 C THR A 80 -9.989 -2.122 5.432 1.00 0.00 C ATOM 1250 O THR A 80 -10.299 -2.440 4.278 1.00 0.00 O ATOM 1251 CB THR A 80 -11.449 -3.690 6.765 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.179 -2.697 7.467 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.413 -4.977 7.589 1.00 0.00 C ATOM 0 H THR A 80 -10.238 -1.994 8.222 1.00 0.00 H new ATOM 0 HA THR A 80 -9.365 -3.976 6.210 1.00 0.00 H new ATOM 0 HB THR A 80 -11.923 -3.900 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.096 -3.010 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.430 -5.338 7.744 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.836 -5.734 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.948 -4.778 8.554 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.632 -0.875 5.769 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.553 0.208 4.799 1.00 0.00 C ATOM 1263 C HIS A 81 -8.428 1.162 5.175 1.00 0.00 C ATOM 1264 O HIS A 81 -7.925 1.141 6.303 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.907 0.925 4.702 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.295 1.704 5.924 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.179 3.067 6.080 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.858 1.193 7.059 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.648 3.368 7.298 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.062 2.262 7.940 1.00 0.00 N ATOM 0 H HIS A 81 -9.392 -0.597 6.721 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.324 -0.198 3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.883 1.603 3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.681 0.185 4.499 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -10.806 3.725 5.396 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.101 0.157 7.243 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.688 4.366 7.709 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.026 2.010 4.235 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.941 2.951 4.429 1.00 0.00 C ATOM 1280 C GLY A 82 -6.881 3.913 3.258 1.00 0.00 C ATOM 1281 O GLY A 82 -7.412 3.638 2.183 1.00 0.00 O ATOM 0 H GLY A 82 -8.452 2.060 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.087 3.503 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.996 2.416 4.521 1.00 0.00 H new ATOM 1285 N MET A 83 -6.259 5.063 3.474 1.00 0.00 N ATOM 1286 CA MET A 83 -6.310 6.184 2.558 1.00 0.00 C ATOM 1287 C MET A 83 -5.159 6.125 1.549 1.00 0.00 C ATOM 1288 O MET A 83 -4.118 5.510 1.785 1.00 0.00 O ATOM 1289 CB MET A 83 -6.268 7.488 3.370 1.00 0.00 C ATOM 1290 CG MET A 83 -7.266 7.483 4.540 1.00 0.00 C ATOM 1291 SD MET A 83 -7.515 9.091 5.330 1.00 0.00 S ATOM 1292 CE MET A 83 -8.743 9.737 4.171 1.00 0.00 C ATOM 0 H MET A 83 -5.696 5.242 4.306 1.00 0.00 H new ATOM 0 HA MET A 83 -7.237 6.143 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.260 7.640 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.487 8.329 2.713 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.227 7.119 4.178 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.919 6.774 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.524 10.783 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.710 9.160 3.247 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.737 9.658 4.612 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.285 6.868 0.457 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.200 7.277 -0.417 1.00 0.00 C ATOM 1304 C LEU A 84 -4.228 8.805 -0.405 1.00 0.00 C ATOM 1305 O LEU A 84 -4.978 9.378 -1.189 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.373 6.676 -1.833 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.466 5.483 -2.173 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -1.976 5.706 -1.929 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.891 4.246 -1.400 1.00 0.00 C ATOM 0 H LEU A 84 -6.191 7.217 0.144 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.230 6.912 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.411 6.363 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.194 7.464 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.594 5.352 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.424 4.806 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.629 6.541 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.809 5.930 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.235 3.414 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.824 4.445 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.919 3.991 -1.658 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.506 9.471 0.515 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.385 10.924 0.574 1.00 0.00 C ATOM 1323 C PRO A 85 -2.115 11.425 -0.127 1.00 0.00 C ATOM 1324 O PRO A 85 -1.067 10.768 -0.097 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.303 11.220 2.072 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.558 10.008 2.637 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.865 8.869 1.673 1.00 0.00 C ATOM 0 HA PRO A 85 -4.216 11.419 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.766 12.148 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.293 11.324 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.486 10.196 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.896 9.773 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.952 8.348 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.519 8.132 2.139 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.173 12.629 -0.698 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.059 13.228 -1.427 1.00 0.00 C ATOM 1337 C GLY A 86 -0.900 12.556 -2.786 1.00 0.00 C ATOM 1338 O GLY A 86 0.173 12.047 -3.120 1.00 0.00 O ATOM 0 H GLY A 86 -3.004 13.220 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.233 14.296 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.139 13.124 -0.851 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.006 12.476 -3.522 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.146 11.912 -4.859 1.00 0.00 C ATOM 1344 C LEU A 87 -2.439 13.063 -5.823 1.00 0.00 C ATOM 1345 O LEU A 87 -2.506 14.214 -5.392 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.291 10.880 -4.836 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.945 9.502 -4.246 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.013 8.700 -5.131 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.291 9.566 -2.873 1.00 0.00 C ATOM 0 H LEU A 87 -2.895 12.832 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.239 11.404 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.120 11.299 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.646 10.737 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.918 9.017 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.805 7.738 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.483 8.537 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.080 9.247 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.077 8.556 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.361 10.131 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.965 10.057 -2.171 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.600 12.780 -7.111 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.852 13.773 -8.149 1.00 0.00 C ATOM 1363 C GLU A 88 -4.275 13.633 -8.689 1.00 0.00 C ATOM 1364 O GLU A 88 -4.753 12.507 -8.884 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.859 13.596 -9.304 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.511 14.239 -8.982 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.535 15.704 -9.395 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -0.260 15.971 -10.590 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.835 16.581 -8.557 1.00 0.00 O ATOM 0 H GLU A 88 -2.558 11.827 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.729 14.763 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.719 12.534 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.269 14.041 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.301 14.154 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.288 13.715 -9.507 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.933 14.763 -8.995 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.200 14.758 -9.693 1.00 0.00 C ATOM 1378 C PRO A 89 -6.022 14.281 -11.152 1.00 0.00 C ATOM 1379 O PRO A 89 -4.902 14.206 -11.674 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.762 16.177 -9.535 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.610 17.054 -9.051 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.433 16.116 -8.817 1.00 0.00 C ATOM 0 HA PRO A 89 -6.917 14.047 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.157 16.545 -10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.585 16.190 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.361 17.814 -9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.878 17.579 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.626 16.326 -9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.026 16.249 -7.815 1.00 0.00 H new ATOM 1390 N PHE A 90 -7.143 13.968 -11.802 1.00 0.00 N ATOM 1391 CA PHE A 90 -7.339 13.563 -13.197 1.00 0.00 C ATOM 1392 C PHE A 90 -6.225 12.662 -13.744 1.00 0.00 C ATOM 1393 O PHE A 90 -5.704 12.866 -14.842 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.612 14.820 -14.034 1.00 0.00 C ATOM 1395 CG PHE A 90 -8.763 14.735 -15.027 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -10.062 14.368 -14.624 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -8.559 15.157 -16.348 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -11.142 14.444 -15.526 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -9.636 15.246 -17.249 1.00 0.00 C ATOM 1400 CZ PHE A 90 -10.934 14.904 -16.836 1.00 0.00 C ATOM 0 H PHE A 90 -8.036 13.995 -11.310 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.212 12.913 -13.261 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.809 15.648 -13.353 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.704 15.068 -14.584 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.232 14.025 -13.614 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.564 15.417 -16.678 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -12.131 14.148 -15.209 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.464 15.579 -18.262 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.765 14.994 -17.520 1.00 0.00 H new ATOM 1410 N SER A 91 -5.849 11.657 -12.961 1.00 0.00 N ATOM 1411 CA SER A 91 -4.796 10.702 -13.266 1.00 0.00 C ATOM 1412 C SER A 91 -5.393 9.292 -13.304 1.00 0.00 C ATOM 1413 O SER A 91 -6.613 9.115 -13.193 1.00 0.00 O ATOM 1414 CB SER A 91 -3.685 10.876 -12.220 1.00 0.00 C ATOM 1415 OG SER A 91 -3.060 12.140 -12.390 1.00 0.00 O ATOM 0 H SER A 91 -6.290 11.480 -12.058 1.00 0.00 H new ATOM 0 HA SER A 91 -4.353 10.872 -14.247 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.102 10.798 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.949 10.079 -12.322 1.00 0.00 H new ATOM 0 HG SER A 91 -3.689 12.851 -12.147 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.534 8.292 -13.494 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.723 6.970 -12.927 1.00 0.00 C ATOM 1423 C HIS A 92 -3.652 6.817 -11.849 1.00 0.00 C ATOM 1424 O HIS A 92 -2.606 7.478 -11.888 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.604 5.863 -14.001 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.882 5.171 -14.408 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.964 3.972 -15.087 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -7.157 5.556 -14.106 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -7.262 3.626 -15.152 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -8.028 4.574 -14.584 1.00 0.00 N ATOM 0 H HIS A 92 -3.684 8.383 -14.050 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.724 6.865 -12.509 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.156 6.301 -14.893 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.910 5.107 -13.634 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.442 6.460 -13.589 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.636 2.716 -15.597 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.046 4.576 -14.516 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.926 5.919 -10.912 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.970 5.344 -9.991 1.00 0.00 C ATOM 1440 C TYR A 93 -3.297 3.861 -9.921 1.00 0.00 C ATOM 1441 O TYR A 93 -4.452 3.469 -10.117 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.087 5.991 -8.608 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.350 7.306 -8.483 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -2.987 8.515 -8.814 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.030 7.321 -7.999 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.327 9.738 -8.629 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.348 8.541 -7.836 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.006 9.758 -8.131 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.395 10.955 -7.921 1.00 0.00 O ATOM 0 H TYR A 93 -4.869 5.558 -10.771 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.947 5.511 -10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.141 6.153 -8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.703 5.298 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.990 8.501 -9.213 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.537 6.392 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.829 10.664 -8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.674 8.548 -7.487 1.00 0.00 H new ATOM 0 HH TYR A 93 0.510 10.804 -7.576 1.00 0.00 H new ATOM 1459 N THR A 94 -2.294 3.065 -9.576 1.00 0.00 N ATOM 1460 CA THR A 94 -2.420 1.644 -9.312 1.00 0.00 C ATOM 1461 C THR A 94 -1.862 1.423 -7.907 1.00 0.00 C ATOM 1462 O THR A 94 -0.894 2.092 -7.537 1.00 0.00 O ATOM 1463 CB THR A 94 -1.658 0.836 -10.374 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.948 1.280 -11.687 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.984 -0.651 -10.320 1.00 0.00 C ATOM 0 H THR A 94 -1.339 3.406 -9.469 1.00 0.00 H new ATOM 0 HA THR A 94 -3.455 1.307 -9.363 1.00 0.00 H new ATOM 0 HB THR A 94 -0.605 0.994 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.443 0.743 -12.333 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.419 -1.176 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.715 -1.047 -9.341 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.051 -0.796 -10.490 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.478 0.539 -7.123 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.105 0.151 -5.768 1.00 0.00 C ATOM 1475 C LEU A 95 -2.384 -1.342 -5.588 1.00 0.00 C ATOM 1476 O LEU A 95 -3.263 -1.879 -6.252 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.800 1.019 -4.696 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.350 1.105 -4.584 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.117 1.026 -5.895 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.880 0.001 -3.665 1.00 0.00 C ATOM 0 H LEU A 95 -3.309 0.042 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.039 0.329 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.433 0.677 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.437 2.038 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.525 2.103 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.186 1.096 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.814 1.848 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.901 0.077 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.965 0.074 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.607 -0.973 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.446 0.115 -2.672 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.693 -2.008 -4.668 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.986 -3.377 -4.218 1.00 0.00 C ATOM 1494 C ASN A 96 -1.939 -3.385 -2.691 1.00 0.00 C ATOM 1495 O ASN A 96 -1.411 -2.445 -2.094 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.003 -4.470 -4.705 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.223 -4.277 -5.990 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.661 -3.436 -6.092 1.00 0.00 O ATOM 1499 ND2 ASN A 96 -0.395 -5.160 -6.950 1.00 0.00 N ATOM 0 H ASN A 96 -0.886 -1.602 -4.196 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.958 -3.624 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.277 -4.630 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.572 -5.394 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.206 -5.142 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.130 -5.863 -6.871 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.387 -4.470 -2.055 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.340 -4.640 -0.605 1.00 0.00 C ATOM 1508 C VAL A 97 -1.516 -5.904 -0.303 1.00 0.00 C ATOM 1509 O VAL A 97 -1.435 -6.814 -1.132 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.784 -4.680 -0.041 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.796 -4.513 1.485 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.701 -3.587 -0.628 1.00 0.00 C ATOM 0 H VAL A 97 -2.798 -5.266 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.850 -3.802 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.166 -5.659 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.824 -4.546 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.224 -5.319 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.349 -3.555 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.696 -3.673 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.288 -2.604 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.768 -3.710 -1.709 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.878 -5.963 0.871 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.022 -7.066 1.303 1.00 0.00 C ATOM 1524 C ARG A 98 -0.174 -7.209 2.814 1.00 0.00 C ATOM 1525 O ARG A 98 -0.113 -6.195 3.519 1.00 0.00 O ATOM 1526 CB ARG A 98 1.428 -6.719 0.916 1.00 0.00 C ATOM 1527 CG ARG A 98 2.361 -7.936 0.859 1.00 0.00 C ATOM 1528 CD ARG A 98 3.775 -7.533 0.393 1.00 0.00 C ATOM 1529 NE ARG A 98 4.288 -8.456 -0.640 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.728 -8.099 -1.857 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.014 -6.834 -2.139 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.870 -8.998 -2.820 1.00 0.00 N ATOM 0 H ARG A 98 -0.947 -5.220 1.566 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.295 -8.010 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.427 -6.228 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.825 -6.002 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.418 -8.400 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.950 -8.681 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.753 -6.518 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.453 -7.528 1.247 1.00 0.00 H new ATOM 0 HE ARG A 98 4.310 -9.449 -0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.901 -6.114 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.347 -6.582 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.644 -9.976 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.205 -8.712 -3.740 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.405 -8.422 3.316 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.445 -8.657 4.759 1.00 0.00 C ATOM 1548 C VAL A 99 0.995 -8.706 5.281 1.00 0.00 C ATOM 1549 O VAL A 99 1.914 -9.082 4.545 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.277 -9.922 5.099 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.601 -10.008 4.314 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.517 -11.234 4.868 1.00 0.00 C ATOM 0 H VAL A 99 -0.567 -9.254 2.748 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.958 -7.840 5.267 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.486 -9.806 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.134 -10.915 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.217 -9.138 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.389 -10.031 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.159 -12.076 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.227 -11.307 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.375 -11.253 5.494 1.00 0.00 H new ATOM 1562 N VAL A 100 1.188 -8.320 6.541 1.00 0.00 N ATOM 1563 CA VAL A 100 2.477 -8.249 7.212 1.00 0.00 C ATOM 1564 C VAL A 100 2.238 -8.592 8.677 1.00 0.00 C ATOM 1565 O VAL A 100 1.292 -8.100 9.290 1.00 0.00 O ATOM 1566 CB VAL A 100 3.082 -6.843 7.051 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.473 -6.772 7.698 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.190 -6.371 5.590 1.00 0.00 C ATOM 0 H VAL A 100 0.416 -8.037 7.144 1.00 0.00 H new ATOM 0 HA VAL A 100 3.190 -8.950 6.778 1.00 0.00 H new ATOM 0 HB VAL A 100 2.386 -6.174 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.882 -5.769 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.392 -7.000 8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.134 -7.496 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.626 -5.372 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.824 -7.059 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.197 -6.347 5.141 1.00 0.00 H new ATOM 1578 N ASN A 101 3.098 -9.422 9.253 1.00 0.00 N ATOM 1579 CA ASN A 101 3.019 -9.874 10.637 1.00 0.00 C ATOM 1580 C ASN A 101 4.433 -9.867 11.209 1.00 0.00 C ATOM 1581 O ASN A 101 5.376 -9.473 10.515 1.00 0.00 O ATOM 1582 CB ASN A 101 2.271 -11.218 10.794 1.00 0.00 C ATOM 1583 CG ASN A 101 2.295 -12.114 9.574 1.00 0.00 C ATOM 1584 OD1 ASN A 101 1.696 -11.810 8.550 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.955 -13.246 9.644 1.00 0.00 N ATOM 0 H ASN A 101 3.897 -9.812 8.753 1.00 0.00 H new ATOM 0 HA ASN A 101 2.405 -9.189 11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.705 -11.762 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.233 -11.010 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.971 -13.877 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.452 -13.494 10.499 1.00 0.00 H new ATOM 1592 N GLY A 102 4.595 -10.227 12.484 1.00 0.00 N ATOM 1593 CA GLY A 102 5.858 -10.129 13.215 1.00 0.00 C ATOM 1594 C GLY A 102 6.837 -11.232 12.817 1.00 0.00 C ATOM 1595 O GLY A 102 7.230 -12.046 13.653 1.00 0.00 O ATOM 0 H GLY A 102 3.834 -10.603 13.049 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.312 -9.156 13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.663 -10.187 14.286 1.00 0.00 H new ATOM 1599 N LYS A 103 7.167 -11.320 11.529 1.00 0.00 N ATOM 1600 CA LYS A 103 8.173 -12.193 10.954 1.00 0.00 C ATOM 1601 C LYS A 103 8.573 -11.666 9.581 1.00 0.00 C ATOM 1602 O LYS A 103 9.758 -11.696 9.259 1.00 0.00 O ATOM 1603 CB LYS A 103 7.637 -13.633 10.838 1.00 0.00 C ATOM 1604 CG LYS A 103 8.656 -14.624 10.252 1.00 0.00 C ATOM 1605 CD LYS A 103 9.944 -14.698 11.068 1.00 0.00 C ATOM 1606 CE LYS A 103 10.899 -15.749 10.500 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.145 -15.739 11.283 1.00 0.00 N ATOM 0 H LYS A 103 6.708 -10.746 10.822 1.00 0.00 H new ATOM 0 HA LYS A 103 9.047 -12.208 11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.333 -13.979 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.744 -13.630 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.205 -15.615 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.895 -14.331 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.432 -13.723 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.708 -14.940 12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.438 -16.736 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.111 -15.537 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.800 -16.452 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.585 -14.798 11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.932 -15.960 12.277 1.00 0.00 H new ATOM 1621 N GLY A 104 7.612 -11.217 8.775 1.00 0.00 N ATOM 1622 CA GLY A 104 7.830 -10.857 7.391 1.00 0.00 C ATOM 1623 C GLY A 104 6.492 -10.584 6.719 1.00 0.00 C ATOM 1624 O GLY A 104 5.464 -10.448 7.395 1.00 0.00 O ATOM 0 H GLY A 104 6.646 -11.094 9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.466 -9.974 7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.351 -11.662 6.873 1.00 0.00 H new ATOM 1628 N GLU A 105 6.512 -10.465 5.394 1.00 0.00 N ATOM 1629 CA GLU A 105 5.350 -10.115 4.589 1.00 0.00 C ATOM 1630 C GLU A 105 4.742 -11.373 3.971 1.00 0.00 C ATOM 1631 O GLU A 105 5.375 -12.434 3.926 1.00 0.00 O ATOM 1632 CB GLU A 105 5.756 -9.141 3.473 1.00 0.00 C ATOM 1633 CG GLU A 105 6.483 -7.881 3.971 1.00 0.00 C ATOM 1634 CD GLU A 105 6.772 -6.939 2.804 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.595 -7.304 1.930 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.184 -5.835 2.755 1.00 0.00 O ATOM 0 H GLU A 105 7.356 -10.613 4.840 1.00 0.00 H new ATOM 0 HA GLU A 105 4.611 -9.637 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.401 -9.664 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.863 -8.839 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.872 -7.371 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.416 -8.161 4.461 1.00 0.00 H new ATOM 1643 N GLY A 106 3.524 -11.248 3.447 1.00 0.00 N ATOM 1644 CA GLY A 106 2.864 -12.270 2.653 1.00 0.00 C ATOM 1645 C GLY A 106 2.757 -11.911 1.182 1.00 0.00 C ATOM 1646 O GLY A 106 3.292 -10.886 0.742 1.00 0.00 O ATOM 0 H GLY A 106 2.958 -10.408 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.411 -13.207 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.864 -12.441 3.052 1.00 0.00 H new ATOM 1650 N PRO A 107 2.057 -12.760 0.416 1.00 0.00 N ATOM 1651 CA PRO A 107 1.796 -12.487 -0.980 1.00 0.00 C ATOM 1652 C PRO A 107 0.941 -11.230 -1.127 1.00 0.00 C ATOM 1653 O PRO A 107 0.187 -10.832 -0.228 1.00 0.00 O ATOM 1654 CB PRO A 107 1.157 -13.758 -1.542 1.00 0.00 C ATOM 1655 CG PRO A 107 0.573 -14.468 -0.323 1.00 0.00 C ATOM 1656 CD PRO A 107 1.450 -14.015 0.837 1.00 0.00 C ATOM 0 HA PRO A 107 2.699 -12.264 -1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.383 -13.523 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.894 -14.381 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.469 -14.192 -0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.601 -15.551 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.859 -13.878 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.212 -14.760 1.064 1.00 0.00 H new ATOM 1664 N ALA A 108 1.102 -10.594 -2.281 1.00 0.00 N ATOM 1665 CA ALA A 108 0.394 -9.392 -2.664 1.00 0.00 C ATOM 1666 C ALA A 108 -0.938 -9.763 -3.306 1.00 0.00 C ATOM 1667 O ALA A 108 -1.165 -10.911 -3.701 1.00 0.00 O ATOM 1668 CB ALA A 108 1.267 -8.610 -3.646 1.00 0.00 C ATOM 0 H ALA A 108 1.753 -10.917 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 108 0.190 -8.775 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.750 -7.699 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.211 -8.350 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.464 -9.223 -4.526 1.00 0.00 H new ATOM 1674 N SER A 109 -1.810 -8.768 -3.426 1.00 0.00 N ATOM 1675 CA SER A 109 -3.148 -8.919 -3.970 1.00 0.00 C ATOM 1676 C SER A 109 -3.301 -8.221 -5.341 1.00 0.00 C ATOM 1677 O SER A 109 -2.288 -7.818 -5.937 1.00 0.00 O ATOM 1678 CB SER A 109 -4.073 -8.468 -2.851 1.00 0.00 C ATOM 1679 OG SER A 109 -4.097 -7.068 -2.653 1.00 0.00 O ATOM 0 H SER A 109 -1.598 -7.812 -3.140 1.00 0.00 H new ATOM 0 HA SER A 109 -3.405 -9.943 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.084 -8.811 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.766 -8.951 -1.923 1.00 0.00 H new ATOM 0 HG SER A 109 -4.823 -6.837 -2.037 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.518 -8.113 -5.918 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.666 -7.559 -7.250 1.00 0.00 C ATOM 1687 C PRO A 110 -4.244 -6.093 -7.215 1.00 0.00 C ATOM 1688 O PRO A 110 -4.506 -5.363 -6.255 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.122 -7.768 -7.663 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.871 -7.859 -6.340 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.831 -8.342 -5.331 1.00 0.00 C ATOM 0 HA PRO A 110 -4.032 -8.047 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.487 -6.941 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.243 -8.676 -8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.282 -6.891 -6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.708 -8.554 -6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.930 -7.802 -4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.973 -9.400 -5.109 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.538 -5.689 -8.262 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.162 -4.314 -8.536 1.00 0.00 C ATOM 1701 C ASP A 111 -4.444 -3.575 -8.918 1.00 0.00 C ATOM 1702 O ASP A 111 -4.858 -3.557 -10.080 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.112 -4.233 -9.658 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.319 -5.185 -10.836 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.187 -6.415 -10.610 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -2.406 -4.717 -11.998 1.00 0.00 O ATOM 0 H ASP A 111 -3.199 -6.339 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.701 -3.858 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.094 -3.212 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.131 -4.429 -9.226 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.126 -3.019 -7.918 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.282 -2.171 -8.135 1.00 0.00 C ATOM 1713 C ARG A 112 -5.879 -0.904 -8.841 1.00 0.00 C ATOM 1714 O ARG A 112 -4.743 -0.451 -8.715 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.972 -1.795 -6.817 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.217 -2.627 -6.559 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.302 -2.470 -7.615 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.025 -1.180 -7.599 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.360 -1.079 -7.641 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -12.122 -2.164 -7.687 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -11.950 0.111 -7.603 1.00 0.00 N ATOM 0 H ARG A 112 -4.887 -3.148 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.981 -2.741 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.272 -1.928 -5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.242 -0.739 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.933 -3.678 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.629 -2.353 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.849 -2.601 -8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.027 -3.274 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.477 -0.321 -7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.692 -3.089 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.137 -2.073 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.386 0.958 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.967 0.177 -7.636 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.857 -0.249 -9.458 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.704 1.051 -10.026 1.00 0.00 C ATOM 1737 C VAL A 113 -7.836 1.927 -9.491 1.00 0.00 C ATOM 1738 O VAL A 113 -8.814 1.435 -8.908 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.697 0.813 -11.541 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -6.910 2.050 -12.368 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -5.410 0.093 -11.963 1.00 0.00 C ATOM 0 H VAL A 113 -7.795 -0.633 -9.570 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.790 1.585 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.560 0.179 -11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.890 1.788 -13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.876 2.491 -12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.119 2.769 -12.157 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.420 -0.069 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.547 0.703 -11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.347 -0.868 -11.453 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.693 3.226 -9.708 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.705 4.256 -9.534 1.00 0.00 C ATOM 1753 C PHE A 114 -8.344 5.438 -10.440 1.00 0.00 C ATOM 1754 O PHE A 114 -7.163 5.623 -10.756 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.783 4.665 -8.050 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.497 5.124 -7.365 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.617 4.175 -6.808 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.226 6.495 -7.179 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.512 4.588 -6.043 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.122 6.910 -6.407 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.275 5.951 -5.823 1.00 0.00 C ATOM 0 H PHE A 114 -6.807 3.614 -10.032 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.691 3.888 -9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.513 5.470 -7.963 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.175 3.816 -7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.793 3.122 -6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.870 7.234 -7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.843 3.851 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.927 7.963 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.445 6.264 -5.207 1.00 0.00 H new ATOM 1771 N ASN A 115 -9.316 6.280 -10.814 1.00 0.00 N ATOM 1772 CA ASN A 115 -9.111 7.546 -11.504 1.00 0.00 C ATOM 1773 C ASN A 115 -9.677 8.689 -10.674 1.00 0.00 C ATOM 1774 O ASN A 115 -10.697 8.514 -10.007 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.770 7.520 -12.885 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.247 7.886 -12.912 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -12.101 7.007 -12.846 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.592 9.162 -13.000 1.00 0.00 N ATOM 0 H ASN A 115 -10.301 6.085 -10.634 1.00 0.00 H new ATOM 0 HA ASN A 115 -8.040 7.699 -11.637 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.231 8.206 -13.539 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.653 6.521 -13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.578 9.424 -13.014 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.872 9.882 -13.054 1.00 0.00 H new ATOM 1785 N THR A 116 -9.055 9.858 -10.770 1.00 0.00 N ATOM 1786 CA THR A 116 -9.380 11.033 -9.967 1.00 0.00 C ATOM 1787 C THR A 116 -10.150 12.094 -10.798 1.00 0.00 C ATOM 1788 O THR A 116 -10.229 11.971 -12.029 1.00 0.00 O ATOM 1789 CB THR A 116 -8.067 11.536 -9.318 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.956 11.439 -10.197 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.700 10.736 -8.065 1.00 0.00 C ATOM 0 H THR A 116 -8.290 10.020 -11.425 1.00 0.00 H new ATOM 0 HA THR A 116 -10.073 10.787 -9.163 1.00 0.00 H new ATOM 0 HB THR A 116 -8.265 12.578 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.161 11.811 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.773 11.124 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.499 10.827 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.567 9.687 -8.329 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.773 13.112 -10.166 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.456 14.222 -10.837 1.00 0.00 C ATOM 1801 C PRO A 117 -10.474 15.310 -11.278 1.00 0.00 C ATOM 1802 O PRO A 117 -9.339 15.299 -10.821 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.456 14.762 -9.819 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.855 14.399 -8.463 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.860 13.282 -8.726 1.00 0.00 C ATOM 0 HA PRO A 117 -11.949 13.887 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.583 15.840 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.439 14.311 -9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.363 15.261 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.630 14.075 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.884 13.530 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.185 12.357 -8.249 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.888 16.267 -12.123 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.053 17.369 -12.625 1.00 0.00 C ATOM 1815 C GLU A 118 -9.463 18.180 -11.483 1.00 0.00 C ATOM 1816 O GLU A 118 -8.328 18.661 -11.541 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.887 18.288 -13.512 1.00 0.00 C ATOM 1818 CG GLU A 118 -11.396 17.529 -14.722 1.00 0.00 C ATOM 1819 CD GLU A 118 -12.032 18.416 -15.787 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -11.296 19.128 -16.504 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -13.275 18.366 -15.960 1.00 0.00 O ATOM 0 H GLU A 118 -11.841 16.296 -12.486 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.236 16.934 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.727 18.688 -12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.286 19.138 -13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.567 16.980 -15.169 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.128 16.791 -14.394 1.00 0.00 H new ATOM 1828 N GLY A 119 -10.256 18.251 -10.426 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.857 18.577 -9.079 1.00 0.00 C ATOM 1830 C GLY A 119 -10.731 19.703 -8.554 1.00 0.00 C ATOM 1831 O GLY A 119 -11.663 19.476 -7.784 1.00 0.00 O ATOM 0 H GLY A 119 -11.257 18.070 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.950 17.700 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.809 18.876 -9.060 1.00 0.00 H new