USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 92 CYS SG : rot 8:sc= 1.47 USER MOD Set 1.2: A 103 CYS SG : rot -29:sc= 0.84 USER MOD Set 2.1: A 59 HIS : no HD1:sc=-0.00499 X(o=-0.011,f=-0.11) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -129:sc=-0.00595 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0.776 K(o=0.78,f=-0.24) USER MOD Single : A 18 THR OG1 : rot -140:sc= -0.914 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0812 (180deg=-0.297) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0833) USER MOD Single : A 50 MET CE :methyl -151:sc= -5.57! (180deg=-8.21!) USER MOD Single : A 54 SER OG : rot -59:sc= 0.0147 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 69 HIS : no HD1:sc= 0.134 K(o=0.13,f=-1.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 45:sc= 0.246 USER MOD Single : A 77 MET CE :methyl -166:sc= -5.2 (180deg=-6.67!) USER MOD Single : A 78 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 89 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.0063) USER MOD Single : A 90 TYR OH : rot 27:sc= 1.07 USER MOD Single : A 95 THR OG1 : rot -49:sc= 0.0201 USER MOD Single : A 96 TYR OH : rot -86:sc= 0.39 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.2!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.838 4.377 -0.637 1.00 0.00 N ATOM 125 CA ILE A 11 11.084 5.539 -1.481 1.00 0.00 C ATOM 126 C ILE A 11 9.775 6.190 -1.915 1.00 0.00 C ATOM 127 O ILE A 11 9.652 7.415 -1.920 1.00 0.00 O ATOM 128 CB ILE A 11 11.897 5.162 -2.734 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.547 6.408 -3.340 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.005 4.473 -3.757 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.830 6.816 -2.650 1.00 0.00 C ATOM 0 HA ILE A 11 11.659 6.247 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 11 12.686 4.468 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.754 6.224 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.840 7.236 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.594 4.213 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.584 3.567 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.197 5.145 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.235 7.706 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.626 7.032 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.554 6.004 -2.719 1.00 0.00 H new ATOM 143 N GLU A 12 8.800 5.363 -2.277 1.00 0.00 N ATOM 144 CA GLU A 12 7.499 5.859 -2.711 1.00 0.00 C ATOM 145 C GLU A 12 6.379 5.265 -1.862 1.00 0.00 C ATOM 146 O GLU A 12 6.428 4.096 -1.479 1.00 0.00 O ATOM 147 CB GLU A 12 7.268 5.525 -4.187 1.00 0.00 C ATOM 148 CG GLU A 12 6.214 6.396 -4.850 1.00 0.00 C ATOM 149 CD GLU A 12 4.804 6.018 -4.443 1.00 0.00 C ATOM 150 OE1 GLU A 12 4.506 4.806 -4.393 1.00 0.00 O ATOM 151 OE2 GLU A 12 3.997 6.933 -4.175 1.00 0.00 O ATOM 0 H GLU A 12 8.886 4.347 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 12 7.491 6.942 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.209 5.633 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.970 4.480 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.395 7.439 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.310 6.315 -5.933 1.00 0.00 H new ATOM 158 N LYS A 13 5.370 6.080 -1.571 1.00 0.00 N ATOM 159 CA LYS A 13 4.236 5.637 -0.768 1.00 0.00 C ATOM 160 C LYS A 13 2.917 5.990 -1.449 1.00 0.00 C ATOM 161 O LYS A 13 2.786 7.023 -2.105 1.00 0.00 O ATOM 162 CB LYS A 13 4.291 6.274 0.622 1.00 0.00 C ATOM 163 CG LYS A 13 4.965 7.635 0.642 1.00 0.00 C ATOM 164 CD LYS A 13 5.112 8.163 2.059 1.00 0.00 C ATOM 165 CE LYS A 13 3.866 7.891 2.888 1.00 0.00 C ATOM 166 NZ LYS A 13 3.818 8.738 4.112 1.00 0.00 N ATOM 0 H LYS A 13 5.315 7.051 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 13 4.294 4.553 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.276 6.375 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.823 5.605 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.948 7.562 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.382 8.340 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.975 7.697 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.304 9.236 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.979 8.077 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.842 6.839 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.954 8.523 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.651 8.542 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.815 9.742 3.840 1.00 0.00 H new ATOM 180 N PRO A 14 1.915 5.112 -1.289 1.00 0.00 N ATOM 181 CA PRO A 14 0.588 5.310 -1.879 1.00 0.00 C ATOM 182 C PRO A 14 -0.176 6.453 -1.218 1.00 0.00 C ATOM 183 O PRO A 14 -0.423 6.429 -0.012 1.00 0.00 O ATOM 184 CB PRO A 14 -0.117 3.976 -1.622 1.00 0.00 C ATOM 185 CG PRO A 14 0.569 3.409 -0.428 1.00 0.00 C ATOM 186 CD PRO A 14 2.001 3.860 -0.520 1.00 0.00 C ATOM 0 HA PRO A 14 0.647 5.580 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.181 4.120 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.031 3.311 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.106 3.764 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.502 2.321 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.435 4.023 0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.624 3.121 -1.024 1.00 0.00 H new ATOM 194 N GLN A 15 -0.546 7.450 -2.014 1.00 0.00 N ATOM 195 CA GLN A 15 -1.282 8.601 -1.504 1.00 0.00 C ATOM 196 C GLN A 15 -2.787 8.366 -1.588 1.00 0.00 C ATOM 197 O GLN A 15 -3.577 9.306 -1.516 1.00 0.00 O ATOM 198 CB GLN A 15 -0.906 9.860 -2.286 1.00 0.00 C ATOM 199 CG GLN A 15 0.562 10.237 -2.164 1.00 0.00 C ATOM 200 CD GLN A 15 1.070 10.149 -0.739 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.811 11.032 0.080 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.798 9.081 -0.434 1.00 0.00 N ATOM 0 H GLN A 15 -0.349 7.485 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.012 8.738 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.148 9.710 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.516 10.692 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.156 9.580 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.705 11.252 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.988 8.374 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.167 8.968 0.510 1.00 0.00 H new ATOM 211 N GLY A 16 -3.176 7.104 -1.742 1.00 0.00 N ATOM 212 CA GLY A 16 -4.585 6.769 -1.834 1.00 0.00 C ATOM 213 C GLY A 16 -5.325 7.640 -2.829 1.00 0.00 C ATOM 214 O GLY A 16 -4.726 8.494 -3.482 1.00 0.00 O ATOM 0 H GLY A 16 -2.541 6.308 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.688 5.723 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.045 6.874 -0.851 1.00 0.00 H new ATOM 218 N GLY A 17 -6.631 7.423 -2.947 1.00 0.00 N ATOM 219 CA GLY A 17 -7.432 8.202 -3.874 1.00 0.00 C ATOM 220 C GLY A 17 -8.912 7.896 -3.760 1.00 0.00 C ATOM 221 O GLY A 17 -9.407 7.574 -2.679 1.00 0.00 O ATOM 0 H GLY A 17 -7.149 6.722 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.268 9.263 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.100 8.002 -4.893 1.00 0.00 H new ATOM 225 N THR A 18 -9.624 7.998 -4.879 1.00 0.00 N ATOM 226 CA THR A 18 -11.056 7.733 -4.900 1.00 0.00 C ATOM 227 C THR A 18 -11.466 7.024 -6.186 1.00 0.00 C ATOM 228 O THR A 18 -11.189 7.503 -7.286 1.00 0.00 O ATOM 229 CB THR A 18 -11.871 9.033 -4.762 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.370 9.811 -3.670 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.344 8.728 -4.541 1.00 0.00 C ATOM 0 H THR A 18 -9.231 8.262 -5.782 1.00 0.00 H new ATOM 0 HA THR A 18 -11.269 7.087 -4.048 1.00 0.00 H new ATOM 0 HB THR A 18 -11.769 9.599 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.120 10.211 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.899 9.662 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.729 8.161 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.461 8.142 -3.629 1.00 0.00 H new ATOM 239 N VAL A 19 -12.127 5.880 -6.041 1.00 0.00 N ATOM 240 CA VAL A 19 -12.576 5.106 -7.192 1.00 0.00 C ATOM 241 C VAL A 19 -14.081 4.871 -7.143 1.00 0.00 C ATOM 242 O VAL A 19 -14.654 4.665 -6.073 1.00 0.00 O ATOM 243 CB VAL A 19 -11.857 3.745 -7.269 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.210 2.887 -6.064 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.208 3.030 -8.564 1.00 0.00 C ATOM 0 H VAL A 19 -12.363 5.469 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.331 5.689 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.781 3.920 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.693 1.930 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.903 3.398 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.286 2.718 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.692 2.071 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.284 2.865 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.900 3.641 -9.412 1.00 0.00 H new ATOM 255 N LYS A 20 -14.718 4.902 -8.309 1.00 0.00 N ATOM 256 CA LYS A 20 -16.158 4.691 -8.401 1.00 0.00 C ATOM 257 C LYS A 20 -16.507 3.221 -8.191 1.00 0.00 C ATOM 258 O LYS A 20 -15.695 2.335 -8.462 1.00 0.00 O ATOM 259 CB LYS A 20 -16.677 5.160 -9.762 1.00 0.00 C ATOM 260 CG LYS A 20 -18.177 5.399 -9.791 1.00 0.00 C ATOM 261 CD LYS A 20 -18.564 6.614 -8.966 1.00 0.00 C ATOM 262 CE LYS A 20 -18.169 7.909 -9.660 1.00 0.00 C ATOM 263 NZ LYS A 20 -19.164 8.310 -10.693 1.00 0.00 N ATOM 0 H LYS A 20 -14.259 5.071 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.637 5.276 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.165 6.082 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.422 4.415 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.504 5.538 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.694 4.519 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.640 6.608 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.081 6.561 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.074 8.703 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.191 7.788 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.859 9.197 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.237 7.563 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.092 8.450 -10.245 1.00 0.00 H new ATOM 277 N VAL A 21 -17.719 2.968 -7.709 1.00 0.00 N ATOM 278 CA VAL A 21 -18.176 1.605 -7.466 1.00 0.00 C ATOM 279 C VAL A 21 -18.215 0.799 -8.760 1.00 0.00 C ATOM 280 O VAL A 21 -18.956 1.127 -9.686 1.00 0.00 O ATOM 281 CB VAL A 21 -19.575 1.588 -6.822 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.116 0.168 -6.755 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.531 2.217 -5.437 1.00 0.00 C ATOM 0 H VAL A 21 -18.403 3.689 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.462 1.150 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.249 2.178 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.105 0.177 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.186 -0.243 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.445 -0.449 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.528 2.197 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.843 1.656 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.191 3.249 -5.517 1.00 0.00 H new ATOM 293 N GLY A 22 -17.411 -0.259 -8.817 1.00 0.00 N ATOM 294 CA GLY A 22 -17.369 -1.096 -10.001 1.00 0.00 C ATOM 295 C GLY A 22 -16.198 -0.763 -10.905 1.00 0.00 C ATOM 296 O GLY A 22 -15.914 -1.491 -11.855 1.00 0.00 O ATOM 0 H GLY A 22 -16.788 -0.551 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.306 -2.142 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.299 -0.979 -10.558 1.00 0.00 H new ATOM 300 N GLU A 23 -15.519 0.341 -10.609 1.00 0.00 N ATOM 301 CA GLU A 23 -14.374 0.769 -11.404 1.00 0.00 C ATOM 302 C GLU A 23 -13.111 0.022 -10.984 1.00 0.00 C ATOM 303 O GLU A 23 -13.148 -0.837 -10.103 1.00 0.00 O ATOM 304 CB GLU A 23 -14.160 2.277 -11.260 1.00 0.00 C ATOM 305 CG GLU A 23 -14.904 3.099 -12.298 1.00 0.00 C ATOM 306 CD GLU A 23 -14.639 4.586 -12.164 1.00 0.00 C ATOM 307 OE1 GLU A 23 -14.300 5.031 -11.047 1.00 0.00 O ATOM 308 OE2 GLU A 23 -14.771 5.306 -13.177 1.00 0.00 O ATOM 0 H GLU A 23 -15.742 0.955 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.582 0.537 -12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.480 2.588 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.094 2.493 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.611 2.770 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.974 2.914 -12.203 1.00 0.00 H new ATOM 315 N ASP A 24 -11.994 0.356 -11.622 1.00 0.00 N ATOM 316 CA ASP A 24 -10.719 -0.282 -11.316 1.00 0.00 C ATOM 317 C ASP A 24 -9.640 0.763 -11.047 1.00 0.00 C ATOM 318 O ASP A 24 -9.409 1.655 -11.863 1.00 0.00 O ATOM 319 CB ASP A 24 -10.290 -1.191 -12.469 1.00 0.00 C ATOM 320 CG ASP A 24 -9.642 -0.421 -13.603 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.374 0.261 -14.350 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.404 -0.502 -13.745 1.00 0.00 O ATOM 0 H ASP A 24 -11.946 1.065 -12.354 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.848 -0.885 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.591 -1.940 -12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.160 -1.727 -12.848 1.00 0.00 H new ATOM 327 N ILE A 25 -8.985 0.646 -9.897 1.00 0.00 N ATOM 328 CA ILE A 25 -7.931 1.580 -9.520 1.00 0.00 C ATOM 329 C ILE A 25 -6.649 0.842 -9.150 1.00 0.00 C ATOM 330 O ILE A 25 -6.686 -0.307 -8.707 1.00 0.00 O ATOM 331 CB ILE A 25 -8.361 2.465 -8.336 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.209 3.377 -7.908 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.822 1.604 -7.170 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.648 4.545 -7.054 1.00 0.00 C ATOM 0 H ILE A 25 -9.165 -0.086 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.745 2.213 -10.387 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.196 3.089 -8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.477 2.788 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.707 3.757 -8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.123 2.245 -6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.669 0.993 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.005 0.957 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.780 5.148 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.358 5.157 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.124 4.174 -6.146 1.00 0.00 H new ATOM 346 N THR A 26 -5.514 1.510 -9.333 1.00 0.00 N ATOM 347 CA THR A 26 -4.220 0.919 -9.018 1.00 0.00 C ATOM 348 C THR A 26 -3.359 1.881 -8.208 1.00 0.00 C ATOM 349 O THR A 26 -3.276 3.069 -8.520 1.00 0.00 O ATOM 350 CB THR A 26 -3.460 0.518 -10.296 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.350 -0.125 -11.215 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.303 -0.414 -9.967 1.00 0.00 C ATOM 0 H THR A 26 -5.465 2.461 -9.698 1.00 0.00 H new ATOM 0 HA THR A 26 -4.416 0.025 -8.426 1.00 0.00 H new ATOM 0 HB THR A 26 -3.059 1.423 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.859 -0.375 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.781 -0.684 -10.885 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.612 0.089 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.687 -1.316 -9.489 1.00 0.00 H new ATOM 360 N PHE A 27 -2.717 1.360 -7.167 1.00 0.00 N ATOM 361 CA PHE A 27 -1.861 2.174 -6.312 1.00 0.00 C ATOM 362 C PHE A 27 -0.388 1.887 -6.586 1.00 0.00 C ATOM 363 O PHE A 27 -0.031 0.803 -7.049 1.00 0.00 O ATOM 364 CB PHE A 27 -2.178 1.911 -4.838 1.00 0.00 C ATOM 365 CG PHE A 27 -3.633 2.071 -4.500 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.534 1.051 -4.757 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.099 3.243 -3.926 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.873 1.195 -4.447 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.437 3.392 -3.613 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.325 2.367 -3.875 1.00 0.00 C ATOM 0 H PHE A 27 -2.773 0.378 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.057 3.222 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.863 0.900 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.593 2.593 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.186 0.132 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.409 4.049 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.565 0.391 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.788 4.309 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.371 2.482 -3.633 1.00 0.00 H new ATOM 380 N ILE A 28 0.463 2.866 -6.297 1.00 0.00 N ATOM 381 CA ILE A 28 1.898 2.718 -6.511 1.00 0.00 C ATOM 382 C ILE A 28 2.653 2.705 -5.187 1.00 0.00 C ATOM 383 O ILE A 28 2.375 3.505 -4.294 1.00 0.00 O ATOM 384 CB ILE A 28 2.454 3.851 -7.395 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.855 3.771 -8.801 1.00 0.00 C ATOM 386 CG2 ILE A 28 3.972 3.778 -7.455 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.164 2.474 -9.516 1.00 0.00 C ATOM 0 H ILE A 28 0.184 3.769 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 28 2.045 1.765 -7.019 1.00 0.00 H new ATOM 0 HB ILE A 28 2.173 4.808 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.774 3.891 -8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.232 4.603 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.351 4.585 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.381 3.878 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.274 2.819 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.708 2.487 -10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.244 2.361 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.763 1.638 -8.943 1.00 0.00 H new ATOM 399 N ALA A 29 3.611 1.791 -5.068 1.00 0.00 N ATOM 400 CA ALA A 29 4.409 1.675 -3.854 1.00 0.00 C ATOM 401 C ALA A 29 5.742 0.989 -4.136 1.00 0.00 C ATOM 402 O ALA A 29 5.784 -0.196 -4.465 1.00 0.00 O ATOM 403 CB ALA A 29 3.638 0.915 -2.785 1.00 0.00 C ATOM 0 H ALA A 29 3.853 1.120 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 29 4.618 2.681 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.247 0.836 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.715 1.447 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.399 -0.084 -3.150 1.00 0.00 H new ATOM 409 N LYS A 30 6.829 1.742 -4.007 1.00 0.00 N ATOM 410 CA LYS A 30 8.164 1.207 -4.248 1.00 0.00 C ATOM 411 C LYS A 30 8.986 1.198 -2.963 1.00 0.00 C ATOM 412 O LYS A 30 8.588 1.782 -1.955 1.00 0.00 O ATOM 413 CB LYS A 30 8.880 2.032 -5.319 1.00 0.00 C ATOM 414 CG LYS A 30 8.399 1.745 -6.731 1.00 0.00 C ATOM 415 CD LYS A 30 8.700 2.902 -7.668 1.00 0.00 C ATOM 416 CE LYS A 30 7.553 3.900 -7.709 1.00 0.00 C ATOM 417 NZ LYS A 30 7.622 4.777 -8.911 1.00 0.00 N ATOM 0 H LYS A 30 6.812 2.725 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 30 8.060 0.180 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.739 3.091 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.951 1.835 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.879 0.840 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.326 1.555 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.611 3.406 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.887 2.520 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.604 3.363 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.575 4.515 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.823 5.443 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.516 5.309 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.576 4.193 -9.770 1.00 0.00 H new ATOM 431 N VAL A 31 10.136 0.533 -3.006 1.00 0.00 N ATOM 432 CA VAL A 31 11.016 0.451 -1.847 1.00 0.00 C ATOM 433 C VAL A 31 12.480 0.416 -2.269 1.00 0.00 C ATOM 434 O VAL A 31 12.845 -0.262 -3.230 1.00 0.00 O ATOM 435 CB VAL A 31 10.708 -0.796 -0.996 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.187 -2.055 -1.703 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.345 -0.672 0.380 1.00 0.00 C ATOM 0 H VAL A 31 10.480 0.043 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 31 10.835 1.344 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 31 9.628 -0.869 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.961 -2.926 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.680 -2.148 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.263 -1.994 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.117 -1.561 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.425 -0.574 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.949 0.209 0.886 1.00 0.00 H new ATOM 447 N LYS A 32 13.317 1.151 -1.545 1.00 0.00 N ATOM 448 CA LYS A 32 14.744 1.204 -1.842 1.00 0.00 C ATOM 449 C LYS A 32 15.445 -0.066 -1.370 1.00 0.00 C ATOM 450 O LYS A 32 15.521 -0.335 -0.172 1.00 0.00 O ATOM 451 CB LYS A 32 15.379 2.427 -1.178 1.00 0.00 C ATOM 452 CG LYS A 32 16.737 2.794 -1.751 1.00 0.00 C ATOM 453 CD LYS A 32 16.603 3.595 -3.035 1.00 0.00 C ATOM 454 CE LYS A 32 17.771 3.342 -3.975 1.00 0.00 C ATOM 455 NZ LYS A 32 18.941 4.205 -3.651 1.00 0.00 N ATOM 0 H LYS A 32 13.032 1.719 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 32 14.862 1.283 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.707 3.278 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.484 2.236 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.298 3.373 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.308 1.886 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.670 3.332 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.549 4.658 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.065 2.294 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.457 3.527 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.716 4.002 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.668 5.205 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.257 4.011 -2.679 1.00 0.00 H new ATOM 469 N ALA A 33 15.958 -0.841 -2.320 1.00 0.00 N ATOM 470 CA ALA A 33 16.656 -2.080 -2.000 1.00 0.00 C ATOM 471 C ALA A 33 18.157 -1.939 -2.231 1.00 0.00 C ATOM 472 O ALA A 33 18.612 -0.972 -2.841 1.00 0.00 O ATOM 473 CB ALA A 33 16.098 -3.229 -2.827 1.00 0.00 C ATOM 0 H ALA A 33 15.903 -0.633 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 33 16.496 -2.296 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.629 -4.148 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.037 -3.352 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.228 -3.011 -3.887 1.00 0.00 H new ATOM 479 N GLU A 34 18.920 -2.911 -1.740 1.00 0.00 N ATOM 480 CA GLU A 34 20.370 -2.893 -1.893 1.00 0.00 C ATOM 481 C GLU A 34 20.887 -4.256 -2.345 1.00 0.00 C ATOM 482 O GLU A 34 21.736 -4.347 -3.231 1.00 0.00 O ATOM 483 CB GLU A 34 21.039 -2.493 -0.576 1.00 0.00 C ATOM 484 CG GLU A 34 20.445 -1.245 0.054 1.00 0.00 C ATOM 485 CD GLU A 34 21.049 -0.932 1.410 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.292 -0.945 1.522 1.00 0.00 O ATOM 487 OE2 GLU A 34 20.278 -0.674 2.358 1.00 0.00 O ATOM 0 H GLU A 34 18.559 -3.719 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 34 20.620 -2.157 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.957 -3.320 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.102 -2.330 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.600 -0.397 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.368 -1.374 0.161 1.00 0.00 H new ATOM 494 N ASP A 35 20.368 -5.312 -1.730 1.00 0.00 N ATOM 495 CA ASP A 35 20.775 -6.671 -2.068 1.00 0.00 C ATOM 496 C ASP A 35 19.781 -7.312 -3.033 1.00 0.00 C ATOM 497 O ASP A 35 18.616 -6.917 -3.094 1.00 0.00 O ATOM 498 CB ASP A 35 20.896 -7.521 -0.802 1.00 0.00 C ATOM 499 CG ASP A 35 19.576 -8.149 -0.398 1.00 0.00 C ATOM 500 OD1 ASP A 35 19.008 -8.908 -1.211 1.00 0.00 O ATOM 501 OD2 ASP A 35 19.112 -7.881 0.730 1.00 0.00 O ATOM 0 H ASP A 35 19.664 -5.254 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 35 21.748 -6.621 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.634 -8.306 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.265 -6.901 0.015 1.00 0.00 H new ATOM 506 N LEU A 36 20.249 -8.301 -3.785 1.00 0.00 N ATOM 507 CA LEU A 36 19.403 -8.996 -4.748 1.00 0.00 C ATOM 508 C LEU A 36 18.939 -10.341 -4.195 1.00 0.00 C ATOM 509 O LEU A 36 17.757 -10.680 -4.267 1.00 0.00 O ATOM 510 CB LEU A 36 20.156 -9.205 -6.063 1.00 0.00 C ATOM 511 CG LEU A 36 20.889 -7.983 -6.618 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.533 -8.309 -7.956 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.934 -6.806 -6.755 1.00 0.00 C ATOM 0 H LEU A 36 21.210 -8.640 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 36 18.525 -8.378 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.882 -10.005 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.446 -9.550 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 36 21.677 -7.706 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.050 -7.428 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.248 -9.122 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.763 -8.612 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.472 -5.945 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.124 -7.072 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.521 -6.557 -5.778 1.00 0.00 H new ATOM 525 N LEU A 37 19.877 -11.101 -3.642 1.00 0.00 N ATOM 526 CA LEU A 37 19.565 -12.408 -3.074 1.00 0.00 C ATOM 527 C LEU A 37 18.277 -12.355 -2.260 1.00 0.00 C ATOM 528 O LEU A 37 17.402 -13.208 -2.407 1.00 0.00 O ATOM 529 CB LEU A 37 20.719 -12.892 -2.193 1.00 0.00 C ATOM 530 CG LEU A 37 22.048 -13.145 -2.906 1.00 0.00 C ATOM 531 CD1 LEU A 37 23.155 -13.399 -1.896 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.922 -14.317 -3.868 1.00 0.00 C ATOM 0 H LEU A 37 20.859 -10.835 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 37 19.424 -13.110 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.885 -12.153 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.412 -13.815 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 37 22.306 -12.255 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.093 -13.577 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.262 -12.530 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.905 -14.273 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.877 -14.483 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.641 -15.213 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.157 -14.096 -4.613 1.00 0.00 H new ATOM 544 N ARG A 38 18.166 -11.346 -1.402 1.00 0.00 N ATOM 545 CA ARG A 38 16.983 -11.180 -0.566 1.00 0.00 C ATOM 546 C ARG A 38 15.940 -10.313 -1.264 1.00 0.00 C ATOM 547 O ARG A 38 16.273 -9.482 -2.110 1.00 0.00 O ATOM 548 CB ARG A 38 17.366 -10.555 0.777 1.00 0.00 C ATOM 549 CG ARG A 38 18.497 -11.280 1.486 1.00 0.00 C ATOM 550 CD ARG A 38 17.972 -12.394 2.379 1.00 0.00 C ATOM 551 NE ARG A 38 18.901 -13.518 2.456 1.00 0.00 N ATOM 552 CZ ARG A 38 18.660 -14.624 3.151 1.00 0.00 C ATOM 553 NH1 ARG A 38 17.525 -14.753 3.825 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.554 -15.604 3.172 1.00 0.00 N ATOM 0 H ARG A 38 18.881 -10.631 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 38 16.551 -12.166 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.656 -9.517 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.490 -10.544 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.183 -11.696 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.067 -10.570 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.794 -12.002 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.012 -12.743 1.997 1.00 0.00 H new ATOM 0 HE ARG A 38 19.783 -13.450 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.835 -14.002 3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.342 -15.603 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.428 -15.509 2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.368 -16.453 3.706 1.00 0.00 H new ATOM 568 N LYS A 39 14.676 -10.512 -0.905 1.00 0.00 N ATOM 569 CA LYS A 39 13.583 -9.748 -1.496 1.00 0.00 C ATOM 570 C LYS A 39 12.527 -9.411 -0.448 1.00 0.00 C ATOM 571 O LYS A 39 11.967 -10.289 0.208 1.00 0.00 O ATOM 572 CB LYS A 39 12.946 -10.535 -2.643 1.00 0.00 C ATOM 573 CG LYS A 39 11.616 -9.967 -3.106 1.00 0.00 C ATOM 574 CD LYS A 39 11.305 -10.368 -4.538 1.00 0.00 C ATOM 575 CE LYS A 39 10.661 -11.744 -4.604 1.00 0.00 C ATOM 576 NZ LYS A 39 10.782 -12.348 -5.960 1.00 0.00 N ATOM 0 H LYS A 39 14.383 -11.196 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 39 13.993 -8.816 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.636 -10.555 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.800 -11.568 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.821 -10.318 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.637 -8.880 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.639 -9.631 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.223 -10.366 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.130 -12.400 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.608 -11.666 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.331 -13.285 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.312 -11.735 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.787 -12.447 -6.208 1.00 0.00 H new ATOM 590 N PRO A 40 12.247 -8.109 -0.287 1.00 0.00 N ATOM 591 CA PRO A 40 11.254 -7.627 0.678 1.00 0.00 C ATOM 592 C PRO A 40 9.829 -7.984 0.271 1.00 0.00 C ATOM 593 O PRO A 40 9.514 -8.071 -0.916 1.00 0.00 O ATOM 594 CB PRO A 40 11.451 -6.109 0.660 1.00 0.00 C ATOM 595 CG PRO A 40 12.028 -5.818 -0.682 1.00 0.00 C ATOM 596 CD PRO A 40 12.876 -7.008 -1.036 1.00 0.00 C ATOM 0 HA PRO A 40 11.389 -8.077 1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.506 -5.585 0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.121 -5.787 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.241 -5.666 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.625 -4.906 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.873 -7.199 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.915 -6.863 -0.741 1.00 0.00 H new ATOM 604 N THR A 41 8.969 -8.191 1.264 1.00 0.00 N ATOM 605 CA THR A 41 7.577 -8.539 1.010 1.00 0.00 C ATOM 606 C THR A 41 6.638 -7.436 1.483 1.00 0.00 C ATOM 607 O THR A 41 6.845 -6.846 2.544 1.00 0.00 O ATOM 608 CB THR A 41 7.192 -9.859 1.706 1.00 0.00 C ATOM 609 OG1 THR A 41 8.111 -10.893 1.337 1.00 0.00 O ATOM 610 CG2 THR A 41 5.777 -10.274 1.334 1.00 0.00 C ATOM 0 H THR A 41 9.213 -8.123 2.252 1.00 0.00 H new ATOM 0 HA THR A 41 7.474 -8.661 -0.068 1.00 0.00 H new ATOM 0 HB THR A 41 7.236 -9.702 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.861 -11.728 1.785 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.528 -11.208 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.077 -9.498 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.711 -10.414 0.255 1.00 0.00 H new ATOM 618 N ILE A 42 5.607 -7.162 0.691 1.00 0.00 N ATOM 619 CA ILE A 42 4.636 -6.130 1.031 1.00 0.00 C ATOM 620 C ILE A 42 3.295 -6.743 1.419 1.00 0.00 C ATOM 621 O ILE A 42 2.941 -7.830 0.962 1.00 0.00 O ATOM 622 CB ILE A 42 4.421 -5.151 -0.139 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.407 -4.073 0.249 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.957 -5.902 -1.378 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.627 -2.754 -0.458 1.00 0.00 C ATOM 0 H ILE A 42 5.423 -7.641 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 42 5.042 -5.583 1.882 1.00 0.00 H new ATOM 0 HB ILE A 42 5.370 -4.665 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.403 -4.433 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.455 -3.911 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.809 -5.197 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.711 -6.636 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.018 -6.412 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.872 -2.037 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.618 -2.372 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.550 -2.901 -1.535 1.00 0.00 H new ATOM 637 N LYS A 43 2.551 -6.038 2.265 1.00 0.00 N ATOM 638 CA LYS A 43 1.246 -6.510 2.713 1.00 0.00 C ATOM 639 C LYS A 43 0.264 -5.351 2.845 1.00 0.00 C ATOM 640 O LYS A 43 0.464 -4.445 3.655 1.00 0.00 O ATOM 641 CB LYS A 43 1.377 -7.237 4.053 1.00 0.00 C ATOM 642 CG LYS A 43 0.210 -8.158 4.362 1.00 0.00 C ATOM 643 CD LYS A 43 0.444 -9.558 3.818 1.00 0.00 C ATOM 644 CE LYS A 43 1.434 -10.331 4.675 1.00 0.00 C ATOM 645 NZ LYS A 43 1.959 -11.533 3.969 1.00 0.00 N ATOM 0 H LYS A 43 2.830 -5.137 2.654 1.00 0.00 H new ATOM 0 HA LYS A 43 0.862 -7.204 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.298 -7.820 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.467 -6.499 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.059 -8.206 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.703 -7.747 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.503 -10.097 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.818 -9.495 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.264 -9.679 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.950 -10.637 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.630 -12.033 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.170 -12.167 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.443 -11.239 3.097 1.00 0.00 H new ATOM 659 N TRP A 44 -0.797 -5.386 2.047 1.00 0.00 N ATOM 660 CA TRP A 44 -1.811 -4.338 2.077 1.00 0.00 C ATOM 661 C TRP A 44 -2.902 -4.666 3.090 1.00 0.00 C ATOM 662 O TRP A 44 -3.394 -5.793 3.145 1.00 0.00 O ATOM 663 CB TRP A 44 -2.425 -4.155 0.688 1.00 0.00 C ATOM 664 CG TRP A 44 -1.407 -3.905 -0.384 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.578 -4.827 -0.957 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.110 -2.652 -1.008 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.217 -4.221 -1.900 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.091 -2.887 -1.951 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.607 -1.353 -0.863 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.439 -1.872 -2.743 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.079 -0.347 -1.649 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.066 -0.610 -2.580 1.00 0.00 C ATOM 0 H TRP A 44 -0.978 -6.128 1.371 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.329 -3.408 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.000 -5.045 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.126 -3.320 0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.551 -5.877 -0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.922 -4.689 -2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.389 -1.140 -0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.221 -2.073 -3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.454 0.660 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.324 0.198 -3.181 1.00 0.00 H new ATOM 683 N PHE A 45 -3.277 -3.674 3.890 1.00 0.00 N ATOM 684 CA PHE A 45 -4.311 -3.857 4.903 1.00 0.00 C ATOM 685 C PHE A 45 -5.412 -2.811 4.752 1.00 0.00 C ATOM 686 O PHE A 45 -5.288 -1.871 3.966 1.00 0.00 O ATOM 687 CB PHE A 45 -3.702 -3.775 6.304 1.00 0.00 C ATOM 688 CG PHE A 45 -2.921 -4.998 6.691 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.555 -6.087 7.267 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.553 -5.058 6.479 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.839 -7.214 7.624 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.832 -6.183 6.834 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.476 -7.262 7.408 1.00 0.00 C ATOM 0 H PHE A 45 -2.881 -2.735 3.857 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.751 -4.844 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.048 -2.904 6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.500 -3.619 7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.621 -6.055 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.044 -4.217 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.345 -8.057 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.234 -6.218 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.915 -8.141 7.687 1.00 0.00 H new ATOM 703 N LYS A 46 -6.489 -2.982 5.510 1.00 0.00 N ATOM 704 CA LYS A 46 -7.613 -2.054 5.463 1.00 0.00 C ATOM 705 C LYS A 46 -8.496 -2.206 6.698 1.00 0.00 C ATOM 706 O LYS A 46 -8.658 -3.305 7.226 1.00 0.00 O ATOM 707 CB LYS A 46 -8.442 -2.289 4.198 1.00 0.00 C ATOM 708 CG LYS A 46 -9.373 -1.138 3.859 1.00 0.00 C ATOM 709 CD LYS A 46 -10.729 -1.301 4.525 1.00 0.00 C ATOM 710 CE LYS A 46 -11.531 -0.010 4.479 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.669 -0.030 5.439 1.00 0.00 N ATOM 0 H LYS A 46 -6.608 -3.755 6.165 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.214 -1.040 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.768 -2.460 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.031 -3.197 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.921 -0.198 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.502 -1.080 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.287 -2.095 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.592 -1.609 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.878 0.832 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.910 0.146 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.323 0.748 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.172 -0.937 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.308 0.086 6.408 1.00 0.00 H new ATOM 725 N GLY A 47 -9.066 -1.094 7.153 1.00 0.00 N ATOM 726 CA GLY A 47 -9.926 -1.126 8.321 1.00 0.00 C ATOM 727 C GLY A 47 -9.159 -1.404 9.598 1.00 0.00 C ATOM 728 O GLY A 47 -8.124 -0.789 9.857 1.00 0.00 O ATOM 0 H GLY A 47 -8.947 -0.172 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.445 -0.172 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.690 -1.892 8.185 1.00 0.00 H new ATOM 732 N LYS A 48 -9.667 -2.333 10.401 1.00 0.00 N ATOM 733 CA LYS A 48 -9.024 -2.693 11.659 1.00 0.00 C ATOM 734 C LYS A 48 -8.303 -4.032 11.539 1.00 0.00 C ATOM 735 O LYS A 48 -7.104 -4.127 11.799 1.00 0.00 O ATOM 736 CB LYS A 48 -10.059 -2.758 12.784 1.00 0.00 C ATOM 737 CG LYS A 48 -9.496 -2.407 14.150 1.00 0.00 C ATOM 738 CD LYS A 48 -8.457 -3.419 14.602 1.00 0.00 C ATOM 739 CE LYS A 48 -7.787 -2.989 15.898 1.00 0.00 C ATOM 740 NZ LYS A 48 -6.876 -1.829 15.693 1.00 0.00 N ATOM 0 H LYS A 48 -10.523 -2.851 10.202 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.288 -1.924 11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.878 -2.077 12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.480 -3.763 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.047 -1.414 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.306 -2.365 14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.931 -4.391 14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.703 -3.540 13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.550 -2.727 16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.223 -3.826 16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.313 -1.673 16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.240 -2.024 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.438 -0.978 15.488 1.00 0.00 H new ATOM 754 N TRP A 49 -9.041 -5.062 11.141 1.00 0.00 N ATOM 755 CA TRP A 49 -8.471 -6.395 10.985 1.00 0.00 C ATOM 756 C TRP A 49 -8.442 -6.806 9.517 1.00 0.00 C ATOM 757 O TRP A 49 -7.553 -7.540 9.086 1.00 0.00 O ATOM 758 CB TRP A 49 -9.273 -7.414 11.797 1.00 0.00 C ATOM 759 CG TRP A 49 -9.589 -6.949 13.187 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.638 -6.163 13.570 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.848 -7.241 14.377 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.594 -5.948 14.926 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.506 -6.599 15.445 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.694 -7.982 14.645 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.046 -6.678 16.756 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.239 -8.059 15.947 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.914 -7.411 16.990 1.00 0.00 C ATOM 0 H TRP A 49 -10.035 -5.000 10.921 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.447 -6.371 11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.204 -7.633 11.274 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.712 -8.347 11.852 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.392 -5.768 12.905 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.263 -5.393 15.460 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.167 -8.486 13.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.564 -6.178 17.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.348 -8.629 16.165 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.534 -7.491 17.998 1.00 0.00 H new ATOM 778 N MET A 50 -9.420 -6.329 8.754 1.00 0.00 N ATOM 779 CA MET A 50 -9.505 -6.646 7.333 1.00 0.00 C ATOM 780 C MET A 50 -8.131 -6.568 6.676 1.00 0.00 C ATOM 781 O MET A 50 -7.500 -5.510 6.659 1.00 0.00 O ATOM 782 CB MET A 50 -10.474 -5.692 6.632 1.00 0.00 C ATOM 783 CG MET A 50 -11.185 -6.315 5.442 1.00 0.00 C ATOM 784 SD MET A 50 -11.963 -5.085 4.377 1.00 0.00 S ATOM 785 CE MET A 50 -10.668 -4.816 3.169 1.00 0.00 C ATOM 0 H MET A 50 -10.165 -5.722 9.096 1.00 0.00 H new ATOM 0 HA MET A 50 -9.878 -7.666 7.235 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.218 -5.350 7.351 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.926 -4.811 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.470 -6.895 4.859 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.943 -7.012 5.800 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.736 -3.799 2.783 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.696 -4.961 3.640 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.783 -5.524 2.348 1.00 0.00 H new ATOM 795 N ASP A 51 -7.673 -7.692 6.137 1.00 0.00 N ATOM 796 CA ASP A 51 -6.373 -7.750 5.477 1.00 0.00 C ATOM 797 C ASP A 51 -6.534 -7.989 3.979 1.00 0.00 C ATOM 798 O ASP A 51 -6.785 -9.113 3.542 1.00 0.00 O ATOM 799 CB ASP A 51 -5.514 -8.855 6.093 1.00 0.00 C ATOM 800 CG ASP A 51 -4.211 -9.060 5.345 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.466 -8.072 5.168 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.935 -10.207 4.938 1.00 0.00 O ATOM 0 H ASP A 51 -8.182 -8.576 6.144 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.876 -6.791 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.298 -8.607 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.077 -9.788 6.099 1.00 0.00 H new ATOM 807 N LEU A 52 -6.390 -6.925 3.197 1.00 0.00 N ATOM 808 CA LEU A 52 -6.520 -7.018 1.747 1.00 0.00 C ATOM 809 C LEU A 52 -5.671 -8.160 1.196 1.00 0.00 C ATOM 810 O LEU A 52 -6.088 -8.873 0.284 1.00 0.00 O ATOM 811 CB LEU A 52 -6.108 -5.699 1.092 1.00 0.00 C ATOM 812 CG LEU A 52 -6.735 -4.434 1.679 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.145 -3.193 1.026 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.247 -4.460 1.510 1.00 0.00 C ATOM 0 H LEU A 52 -6.183 -5.988 3.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.565 -7.221 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.024 -5.607 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.361 -5.748 0.033 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.509 -4.401 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.603 -2.303 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.069 -3.167 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.339 -3.219 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.676 -3.552 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.494 -4.518 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.656 -5.329 2.025 1.00 0.00 H new ATOM 826 N ALA A 53 -4.478 -8.327 1.758 1.00 0.00 N ATOM 827 CA ALA A 53 -3.572 -9.384 1.326 1.00 0.00 C ATOM 828 C ALA A 53 -4.320 -10.695 1.112 1.00 0.00 C ATOM 829 O ALA A 53 -4.168 -11.346 0.078 1.00 0.00 O ATOM 830 CB ALA A 53 -2.456 -9.571 2.343 1.00 0.00 C ATOM 0 H ALA A 53 -4.117 -7.744 2.513 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.134 -9.086 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.787 -10.363 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.896 -8.641 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.885 -9.842 3.308 1.00 0.00 H new ATOM 836 N SER A 54 -5.128 -11.077 2.096 1.00 0.00 N ATOM 837 CA SER A 54 -5.897 -12.314 2.017 1.00 0.00 C ATOM 838 C SER A 54 -7.141 -12.126 1.153 1.00 0.00 C ATOM 839 O SER A 54 -7.712 -13.092 0.647 1.00 0.00 O ATOM 840 CB SER A 54 -6.301 -12.779 3.417 1.00 0.00 C ATOM 841 OG SER A 54 -7.581 -12.285 3.770 1.00 0.00 O ATOM 0 H SER A 54 -5.267 -10.548 2.957 1.00 0.00 H new ATOM 0 HA SER A 54 -5.267 -13.075 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.305 -13.868 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.563 -12.438 4.144 1.00 0.00 H new ATOM 0 HG SER A 54 -7.571 -11.305 3.750 1.00 0.00 H new ATOM 847 N LYS A 55 -7.556 -10.874 0.989 1.00 0.00 N ATOM 848 CA LYS A 55 -8.731 -10.556 0.187 1.00 0.00 C ATOM 849 C LYS A 55 -8.430 -10.702 -1.301 1.00 0.00 C ATOM 850 O LYS A 55 -9.318 -11.003 -2.097 1.00 0.00 O ATOM 851 CB LYS A 55 -9.207 -9.133 0.484 1.00 0.00 C ATOM 852 CG LYS A 55 -9.557 -8.901 1.944 1.00 0.00 C ATOM 853 CD LYS A 55 -10.832 -9.630 2.334 1.00 0.00 C ATOM 854 CE LYS A 55 -11.353 -9.158 3.683 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.144 -10.215 4.373 1.00 0.00 N ATOM 0 H LYS A 55 -7.095 -10.063 1.401 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.521 -11.259 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.428 -8.429 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.081 -8.916 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.735 -9.240 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.677 -7.833 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.593 -9.467 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.642 -10.703 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.514 -8.863 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.974 -8.273 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.481 -9.854 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.959 -10.479 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.545 -11.050 4.530 1.00 0.00 H new ATOM 869 N ALA A 56 -7.170 -10.488 -1.669 1.00 0.00 N ATOM 870 CA ALA A 56 -6.751 -10.600 -3.060 1.00 0.00 C ATOM 871 C ALA A 56 -7.109 -11.967 -3.634 1.00 0.00 C ATOM 872 O ALA A 56 -6.654 -12.997 -3.137 1.00 0.00 O ATOM 873 CB ALA A 56 -5.256 -10.348 -3.183 1.00 0.00 C ATOM 0 H ALA A 56 -6.422 -10.236 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.284 -9.843 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.957 -10.435 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.025 -9.346 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.713 -11.082 -2.588 1.00 0.00 H new ATOM 879 N GLY A 57 -7.927 -11.969 -4.682 1.00 0.00 N ATOM 880 CA GLY A 57 -8.331 -13.216 -5.304 1.00 0.00 C ATOM 881 C GLY A 57 -8.933 -13.008 -6.680 1.00 0.00 C ATOM 882 O GLY A 57 -8.345 -13.402 -7.689 1.00 0.00 O ATOM 0 H GLY A 57 -8.317 -11.130 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.467 -13.875 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.057 -13.719 -4.665 1.00 0.00 H new ATOM 886 N LYS A 58 -10.108 -12.390 -6.724 1.00 0.00 N ATOM 887 CA LYS A 58 -10.791 -12.131 -7.986 1.00 0.00 C ATOM 888 C LYS A 58 -11.072 -10.642 -8.156 1.00 0.00 C ATOM 889 O LYS A 58 -10.553 -10.002 -9.072 1.00 0.00 O ATOM 890 CB LYS A 58 -12.100 -12.920 -8.052 1.00 0.00 C ATOM 891 CG LYS A 58 -12.497 -13.323 -9.462 1.00 0.00 C ATOM 892 CD LYS A 58 -14.004 -13.459 -9.600 1.00 0.00 C ATOM 893 CE LYS A 58 -14.504 -14.764 -9.001 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.930 -15.021 -9.342 1.00 0.00 N ATOM 0 H LYS A 58 -10.608 -12.059 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.139 -12.454 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.005 -13.817 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.899 -12.320 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.132 -12.579 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.020 -14.269 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.493 -12.620 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.279 -13.412 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.890 -15.588 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.390 -14.733 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.233 -15.920 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.520 -14.247 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.035 -15.076 -10.375 1.00 0.00 H new ATOM 908 N HIS A 59 -11.896 -10.095 -7.269 1.00 0.00 N ATOM 909 CA HIS A 59 -12.245 -8.679 -7.320 1.00 0.00 C ATOM 910 C HIS A 59 -11.015 -7.808 -7.085 1.00 0.00 C ATOM 911 O HIS A 59 -10.932 -6.685 -7.584 1.00 0.00 O ATOM 912 CB HIS A 59 -13.318 -8.358 -6.279 1.00 0.00 C ATOM 913 CG HIS A 59 -14.663 -8.929 -6.609 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.289 -8.727 -7.821 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.501 -9.700 -5.878 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.455 -9.348 -7.821 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.607 -9.947 -6.653 1.00 0.00 N ATOM 0 H HIS A 59 -12.335 -10.610 -6.506 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.638 -8.463 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.998 -8.740 -5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.406 -7.276 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.331 -10.055 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.163 -9.363 -8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.415 -10.503 -6.373 1.00 0.00 H new ATOM 926 N LEU A 60 -10.061 -8.332 -6.323 1.00 0.00 N ATOM 927 CA LEU A 60 -8.835 -7.601 -6.021 1.00 0.00 C ATOM 928 C LEU A 60 -7.610 -8.374 -6.498 1.00 0.00 C ATOM 929 O LEU A 60 -7.591 -9.604 -6.470 1.00 0.00 O ATOM 930 CB LEU A 60 -8.732 -7.337 -4.518 1.00 0.00 C ATOM 931 CG LEU A 60 -7.374 -6.849 -4.014 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.292 -5.332 -4.082 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.127 -7.335 -2.593 1.00 0.00 C ATOM 0 H LEU A 60 -10.113 -9.260 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.870 -6.648 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.485 -6.597 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.984 -8.257 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.599 -7.263 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.318 -5.004 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.423 -5.006 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.076 -4.897 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.156 -6.978 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.907 -6.950 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.141 -8.425 -2.574 1.00 0.00 H new ATOM 945 N GLN A 61 -6.588 -7.644 -6.933 1.00 0.00 N ATOM 946 CA GLN A 61 -5.358 -8.262 -7.415 1.00 0.00 C ATOM 947 C GLN A 61 -4.153 -7.374 -7.123 1.00 0.00 C ATOM 948 O GLN A 61 -4.116 -6.209 -7.519 1.00 0.00 O ATOM 949 CB GLN A 61 -5.453 -8.535 -8.917 1.00 0.00 C ATOM 950 CG GLN A 61 -6.530 -9.544 -9.284 1.00 0.00 C ATOM 951 CD GLN A 61 -6.066 -10.978 -9.120 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.320 -11.500 -9.948 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.507 -11.623 -8.047 1.00 0.00 N ATOM 0 H GLN A 61 -6.587 -6.624 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.226 -9.208 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.652 -7.598 -9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.489 -8.898 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.408 -9.376 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.838 -9.382 -10.317 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.124 -11.151 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.229 -12.590 -7.883 1.00 0.00 H new ATOM 962 N LEU A 62 -3.168 -7.932 -6.427 1.00 0.00 N ATOM 963 CA LEU A 62 -1.960 -7.191 -6.081 1.00 0.00 C ATOM 964 C LEU A 62 -0.857 -7.439 -7.105 1.00 0.00 C ATOM 965 O LEU A 62 -0.911 -8.402 -7.871 1.00 0.00 O ATOM 966 CB LEU A 62 -1.476 -7.589 -4.686 1.00 0.00 C ATOM 967 CG LEU A 62 -2.547 -7.660 -3.598 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.960 -8.201 -2.304 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.169 -6.289 -3.372 1.00 0.00 C ATOM 0 H LEU A 62 -3.182 -8.895 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.202 -6.128 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.992 -8.563 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.714 -6.877 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.330 -8.342 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.738 -8.244 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.564 -9.202 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.157 -7.545 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.929 -6.358 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.396 -5.585 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.627 -5.940 -4.297 1.00 0.00 H new ATOM 981 N LYS A 63 0.144 -6.566 -7.112 1.00 0.00 N ATOM 982 CA LYS A 63 1.263 -6.691 -8.039 1.00 0.00 C ATOM 983 C LYS A 63 2.584 -6.387 -7.341 1.00 0.00 C ATOM 984 O LYS A 63 2.646 -5.537 -6.453 1.00 0.00 O ATOM 985 CB LYS A 63 1.074 -5.748 -9.229 1.00 0.00 C ATOM 986 CG LYS A 63 1.521 -6.342 -10.553 1.00 0.00 C ATOM 987 CD LYS A 63 0.377 -7.046 -11.264 1.00 0.00 C ATOM 988 CE LYS A 63 0.735 -7.378 -12.704 1.00 0.00 C ATOM 989 NZ LYS A 63 1.768 -8.448 -12.787 1.00 0.00 N ATOM 0 H LYS A 63 0.204 -5.763 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 63 1.291 -7.719 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.022 -5.473 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.631 -4.829 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.916 -5.552 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.333 -7.049 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.125 -7.962 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.509 -6.412 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.161 -7.696 -13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.101 -6.481 -13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.984 -8.645 -13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.632 -8.135 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.410 -9.312 -12.333 1.00 0.00 H new ATOM 1003 N GLU A 64 3.639 -7.086 -7.749 1.00 0.00 N ATOM 1004 CA GLU A 64 4.959 -6.889 -7.162 1.00 0.00 C ATOM 1005 C GLU A 64 6.057 -7.232 -8.164 1.00 0.00 C ATOM 1006 O GLU A 64 6.079 -8.326 -8.730 1.00 0.00 O ATOM 1007 CB GLU A 64 5.115 -7.746 -5.904 1.00 0.00 C ATOM 1008 CG GLU A 64 6.562 -8.046 -5.547 1.00 0.00 C ATOM 1009 CD GLU A 64 7.071 -9.318 -6.195 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.378 -10.352 -6.099 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.164 -9.280 -6.799 1.00 0.00 O ATOM 0 H GLU A 64 3.605 -7.793 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 64 5.055 -5.838 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.641 -7.235 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.582 -8.686 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.189 -7.210 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.655 -8.132 -4.464 1.00 0.00 H new ATOM 1018 N THR A 65 6.968 -6.289 -8.381 1.00 0.00 N ATOM 1019 CA THR A 65 8.068 -6.489 -9.316 1.00 0.00 C ATOM 1020 C THR A 65 9.376 -5.946 -8.750 1.00 0.00 C ATOM 1021 O THR A 65 9.379 -5.205 -7.767 1.00 0.00 O ATOM 1022 CB THR A 65 7.786 -5.810 -10.669 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.789 -6.181 -11.622 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.757 -4.296 -10.519 1.00 0.00 C ATOM 0 H THR A 65 6.966 -5.378 -7.921 1.00 0.00 H new ATOM 0 HA THR A 65 8.160 -7.564 -9.470 1.00 0.00 H new ATOM 0 HB THR A 65 6.810 -6.143 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.602 -5.746 -12.480 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.556 -3.838 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.973 -4.015 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.721 -3.949 -10.146 1.00 0.00 H new ATOM 1032 N PHE A 66 10.486 -6.319 -9.378 1.00 0.00 N ATOM 1033 CA PHE A 66 11.802 -5.869 -8.937 1.00 0.00 C ATOM 1034 C PHE A 66 12.586 -5.262 -10.097 1.00 0.00 C ATOM 1035 O PHE A 66 12.486 -5.721 -11.234 1.00 0.00 O ATOM 1036 CB PHE A 66 12.586 -7.035 -8.331 1.00 0.00 C ATOM 1037 CG PHE A 66 14.038 -6.727 -8.105 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.422 -5.759 -7.191 1.00 0.00 C ATOM 1039 CD2 PHE A 66 15.021 -7.405 -8.809 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.758 -5.474 -6.981 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.359 -7.125 -8.602 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.727 -6.157 -7.688 1.00 0.00 C ATOM 0 H PHE A 66 10.501 -6.931 -10.194 1.00 0.00 H new ATOM 0 HA PHE A 66 11.660 -5.101 -8.176 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.130 -7.315 -7.381 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.504 -7.899 -8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.668 -5.221 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.738 -8.160 -9.527 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.043 -4.718 -6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.116 -7.663 -9.154 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.772 -5.935 -7.527 1.00 0.00 H new ATOM 1052 N GLU A 67 13.366 -4.227 -9.799 1.00 0.00 N ATOM 1053 CA GLU A 67 14.166 -3.557 -10.817 1.00 0.00 C ATOM 1054 C GLU A 67 15.634 -3.498 -10.403 1.00 0.00 C ATOM 1055 O GLU A 67 16.047 -2.599 -9.671 1.00 0.00 O ATOM 1056 CB GLU A 67 13.637 -2.142 -11.063 1.00 0.00 C ATOM 1057 CG GLU A 67 12.249 -2.111 -11.680 1.00 0.00 C ATOM 1058 CD GLU A 67 11.148 -2.067 -10.638 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.315 -1.349 -9.630 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.120 -2.749 -10.831 1.00 0.00 O ATOM 0 H GLU A 67 13.461 -3.835 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 67 14.089 -4.132 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.617 -1.601 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.329 -1.613 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.164 -1.240 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.115 -2.992 -12.308 1.00 0.00 H new ATOM 1067 N ARG A 68 16.415 -4.462 -10.878 1.00 0.00 N ATOM 1068 CA ARG A 68 17.836 -4.522 -10.556 1.00 0.00 C ATOM 1069 C ARG A 68 18.570 -3.304 -11.109 1.00 0.00 C ATOM 1070 O ARG A 68 19.581 -2.871 -10.556 1.00 0.00 O ATOM 1071 CB ARG A 68 18.455 -5.802 -11.119 1.00 0.00 C ATOM 1072 CG ARG A 68 17.822 -6.263 -12.423 1.00 0.00 C ATOM 1073 CD ARG A 68 16.689 -7.246 -12.175 1.00 0.00 C ATOM 1074 NE ARG A 68 17.159 -8.629 -12.158 1.00 0.00 N ATOM 1075 CZ ARG A 68 17.457 -9.318 -13.254 1.00 0.00 C ATOM 1076 NH1 ARG A 68 17.334 -8.755 -14.448 1.00 0.00 N ATOM 1077 NH2 ARG A 68 17.878 -10.572 -13.157 1.00 0.00 N ATOM 0 H ARG A 68 16.088 -5.212 -11.487 1.00 0.00 H new ATOM 0 HA ARG A 68 17.937 -4.525 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.521 -5.640 -11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.362 -6.597 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.443 -5.400 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.580 -6.731 -13.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.209 -7.014 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.932 -7.130 -12.950 1.00 0.00 H new ATOM 0 HE ARG A 68 17.264 -9.091 -11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.010 -7.791 -14.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.563 -9.286 -15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.973 -11.008 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.106 -11.100 -13.999 1.00 0.00 H new ATOM 1091 N HIS A 69 18.054 -2.755 -12.205 1.00 0.00 N ATOM 1092 CA HIS A 69 18.660 -1.587 -12.833 1.00 0.00 C ATOM 1093 C HIS A 69 18.890 -0.478 -11.810 1.00 0.00 C ATOM 1094 O HIS A 69 19.899 0.226 -11.861 1.00 0.00 O ATOM 1095 CB HIS A 69 17.772 -1.073 -13.967 1.00 0.00 C ATOM 1096 CG HIS A 69 17.098 -2.164 -14.741 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.882 -2.703 -14.377 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.475 -2.815 -15.865 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.542 -3.641 -15.244 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.492 -3.728 -16.157 1.00 0.00 N ATOM 0 H HIS A 69 17.218 -3.101 -12.676 1.00 0.00 H new ATOM 0 HA HIS A 69 19.625 -1.886 -13.243 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.012 -0.411 -13.551 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.377 -0.475 -14.649 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.381 -2.648 -16.428 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.641 -4.235 -15.211 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.495 -4.369 -16.950 1.00 0.00 H new ATOM 1109 N SER A 70 17.950 -0.329 -10.883 1.00 0.00 N ATOM 1110 CA SER A 70 18.048 0.696 -9.851 1.00 0.00 C ATOM 1111 C SER A 70 17.983 0.075 -8.460 1.00 0.00 C ATOM 1112 O SER A 70 18.053 0.776 -7.451 1.00 0.00 O ATOM 1113 CB SER A 70 16.927 1.725 -10.016 1.00 0.00 C ATOM 1114 OG SER A 70 16.930 2.278 -11.321 1.00 0.00 O ATOM 0 H SER A 70 17.111 -0.906 -10.825 1.00 0.00 H new ATOM 0 HA SER A 70 19.010 1.196 -9.961 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.964 1.253 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.048 2.520 -9.280 1.00 0.00 H new ATOM 0 HG SER A 70 16.204 2.931 -11.401 1.00 0.00 H new ATOM 1120 N ARG A 71 17.848 -1.247 -8.414 1.00 0.00 N ATOM 1121 CA ARG A 71 17.772 -1.964 -7.147 1.00 0.00 C ATOM 1122 C ARG A 71 16.585 -1.481 -6.320 1.00 0.00 C ATOM 1123 O ARG A 71 16.722 -1.185 -5.133 1.00 0.00 O ATOM 1124 CB ARG A 71 19.068 -1.782 -6.355 1.00 0.00 C ATOM 1125 CG ARG A 71 20.212 -2.653 -6.848 1.00 0.00 C ATOM 1126 CD ARG A 71 21.161 -3.019 -5.717 1.00 0.00 C ATOM 1127 NE ARG A 71 22.232 -2.038 -5.564 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.292 -1.977 -6.362 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.422 -2.835 -7.364 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.226 -1.056 -6.158 1.00 0.00 N ATOM 0 H ARG A 71 17.789 -1.843 -9.240 1.00 0.00 H new ATOM 0 HA ARG A 71 17.634 -3.023 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.371 -0.736 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.877 -2.008 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.811 -3.562 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.761 -2.127 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.602 -3.094 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.593 -4.001 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 71 22.162 -1.363 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.707 -3.545 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.237 -2.786 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.130 -0.394 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.040 -1.010 -6.771 1.00 0.00 H new ATOM 1144 N VAL A 72 15.420 -1.405 -6.955 1.00 0.00 N ATOM 1145 CA VAL A 72 14.208 -0.959 -6.277 1.00 0.00 C ATOM 1146 C VAL A 72 13.006 -1.799 -6.692 1.00 0.00 C ATOM 1147 O VAL A 72 12.788 -2.048 -7.878 1.00 0.00 O ATOM 1148 CB VAL A 72 13.912 0.523 -6.575 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.631 0.962 -5.882 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.083 1.396 -6.151 1.00 0.00 C ATOM 0 H VAL A 72 15.289 -1.646 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 72 14.380 -1.080 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 72 13.773 0.638 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.438 2.012 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.798 0.357 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.737 0.833 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.856 2.440 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.256 1.278 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.977 1.097 -6.698 1.00 0.00 H new ATOM 1160 N TYR A 73 12.227 -2.233 -5.707 1.00 0.00 N ATOM 1161 CA TYR A 73 11.047 -3.048 -5.969 1.00 0.00 C ATOM 1162 C TYR A 73 9.812 -2.173 -6.159 1.00 0.00 C ATOM 1163 O TYR A 73 9.603 -1.205 -5.427 1.00 0.00 O ATOM 1164 CB TYR A 73 10.816 -4.033 -4.821 1.00 0.00 C ATOM 1165 CG TYR A 73 11.897 -5.083 -4.698 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.155 -4.760 -4.205 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.659 -6.400 -5.074 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.145 -5.716 -4.092 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.643 -7.363 -4.962 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.884 -7.016 -4.471 1.00 0.00 C ATOM 1171 OH TYR A 73 14.868 -7.972 -4.359 1.00 0.00 O ATOM 0 H TYR A 73 12.392 -2.034 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 73 11.220 -3.607 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.752 -3.478 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.855 -4.528 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.362 -3.743 -3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.689 -6.675 -5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.118 -5.447 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.441 -8.382 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 73 14.522 -8.835 -4.667 1.00 0.00 H new ATOM 1181 N THR A 74 8.994 -2.521 -7.147 1.00 0.00 N ATOM 1182 CA THR A 74 7.779 -1.769 -7.436 1.00 0.00 C ATOM 1183 C THR A 74 6.536 -2.617 -7.193 1.00 0.00 C ATOM 1184 O THR A 74 6.221 -3.513 -7.976 1.00 0.00 O ATOM 1185 CB THR A 74 7.765 -1.262 -8.890 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.012 -0.631 -9.202 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.624 -0.279 -9.109 1.00 0.00 C ATOM 0 H THR A 74 9.151 -3.320 -7.761 1.00 0.00 H new ATOM 0 HA THR A 74 7.769 -0.914 -6.761 1.00 0.00 H new ATOM 0 HB THR A 74 7.618 -2.118 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.750 -1.182 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.634 0.066 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.674 -0.771 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.745 0.574 -8.441 1.00 0.00 H new ATOM 1195 N PHE A 75 5.833 -2.329 -6.103 1.00 0.00 N ATOM 1196 CA PHE A 75 4.623 -3.066 -5.756 1.00 0.00 C ATOM 1197 C PHE A 75 3.378 -2.231 -6.038 1.00 0.00 C ATOM 1198 O PHE A 75 3.313 -1.056 -5.679 1.00 0.00 O ATOM 1199 CB PHE A 75 4.654 -3.476 -4.282 1.00 0.00 C ATOM 1200 CG PHE A 75 6.010 -3.921 -3.812 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.659 -4.978 -4.431 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.634 -3.284 -2.752 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.906 -5.391 -4.001 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.881 -3.692 -2.318 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.518 -4.747 -2.943 1.00 0.00 C ATOM 0 H PHE A 75 6.080 -1.590 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 75 4.585 -3.963 -6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.325 -2.635 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.940 -4.284 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.185 -5.485 -5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.141 -2.459 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.401 -6.216 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.357 -3.187 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.492 -5.068 -2.605 1.00 0.00 H new ATOM 1215 N GLU A 76 2.392 -2.847 -6.683 1.00 0.00 N ATOM 1216 CA GLU A 76 1.150 -2.160 -7.014 1.00 0.00 C ATOM 1217 C GLU A 76 -0.055 -2.922 -6.469 1.00 0.00 C ATOM 1218 O GLU A 76 0.063 -4.074 -6.052 1.00 0.00 O ATOM 1219 CB GLU A 76 1.020 -1.995 -8.530 1.00 0.00 C ATOM 1220 CG GLU A 76 2.227 -1.335 -9.175 1.00 0.00 C ATOM 1221 CD GLU A 76 2.348 -1.657 -10.652 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.320 -1.600 -11.358 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.472 -1.967 -11.101 1.00 0.00 O ATOM 0 H GLU A 76 2.430 -3.820 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 76 1.175 -1.174 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.867 -2.975 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.132 -1.402 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.157 -0.255 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.132 -1.659 -8.661 1.00 0.00 H new ATOM 1230 N MET A 77 -1.213 -2.270 -6.477 1.00 0.00 N ATOM 1231 CA MET A 77 -2.440 -2.885 -5.984 1.00 0.00 C ATOM 1232 C MET A 77 -3.599 -2.630 -6.942 1.00 0.00 C ATOM 1233 O MET A 77 -4.203 -1.558 -6.926 1.00 0.00 O ATOM 1234 CB MET A 77 -2.784 -2.347 -4.594 1.00 0.00 C ATOM 1235 CG MET A 77 -4.095 -2.883 -4.042 1.00 0.00 C ATOM 1236 SD MET A 77 -4.262 -2.616 -2.267 1.00 0.00 S ATOM 1237 CE MET A 77 -4.329 -0.827 -2.199 1.00 0.00 C ATOM 0 H MET A 77 -1.327 -1.316 -6.819 1.00 0.00 H new ATOM 0 HA MET A 77 -2.276 -3.961 -5.918 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.978 -2.601 -3.905 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.835 -1.259 -4.637 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.926 -2.401 -4.558 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.164 -3.950 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.182 -0.496 -1.171 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.545 -0.409 -2.830 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.301 -0.486 -2.554 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.902 -3.620 -7.775 1.00 0.00 N ATOM 1248 CA GLN A 78 -4.989 -3.500 -8.740 1.00 0.00 C ATOM 1249 C GLN A 78 -6.313 -3.945 -8.128 1.00 0.00 C ATOM 1250 O GLN A 78 -6.508 -5.126 -7.838 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.685 -4.332 -9.987 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.105 -3.660 -11.284 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.842 -4.524 -12.502 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.693 -4.652 -13.382 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.658 -5.123 -12.558 1.00 0.00 N ATOM 0 H GLN A 78 -3.411 -4.514 -7.801 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.076 -2.451 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.615 -4.538 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.192 -5.293 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.167 -3.420 -11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.569 -2.717 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.982 -4.989 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.424 -5.717 -13.353 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.218 -2.993 -7.933 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.524 -3.287 -7.356 1.00 0.00 C ATOM 1266 C ILE A 79 -9.607 -3.310 -8.429 1.00 0.00 C ATOM 1267 O ILE A 79 -9.877 -2.297 -9.074 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.908 -2.257 -6.277 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.817 -2.176 -5.207 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.246 -2.620 -5.650 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.323 -1.705 -3.862 1.00 0.00 C ATOM 0 H ILE A 79 -7.071 -2.011 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.451 -4.273 -6.896 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.003 -1.278 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.360 -3.159 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.034 -1.499 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.503 -1.883 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.017 -2.632 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.177 -3.606 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.496 -1.672 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.754 -0.709 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.085 -2.394 -3.498 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.226 -4.471 -8.612 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.282 -4.625 -9.605 1.00 0.00 C ATOM 1285 C ILE A 80 -12.658 -4.633 -8.947 1.00 0.00 C ATOM 1286 O ILE A 80 -12.891 -5.354 -7.977 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.107 -5.922 -10.417 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.634 -6.129 -10.777 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.963 -5.879 -11.674 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.902 -7.047 -9.822 1.00 0.00 C ATOM 0 H ILE A 80 -10.015 -5.319 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.208 -3.771 -10.279 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.434 -6.763 -9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.569 -6.539 -11.785 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.133 -5.161 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.829 -6.802 -12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.012 -5.772 -11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.663 -5.031 -12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.864 -7.148 -10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.936 -6.628 -8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.378 -8.027 -9.823 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.568 -3.827 -9.483 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.923 -3.742 -8.951 1.00 0.00 C ATOM 1304 C LYS A 81 -14.910 -3.262 -7.503 1.00 0.00 C ATOM 1305 O LYS A 81 -15.490 -3.898 -6.624 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.615 -5.104 -9.042 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.570 -5.717 -10.431 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.737 -6.662 -10.662 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.404 -7.715 -11.708 1.00 0.00 C ATOM 1310 NZ LYS A 81 -16.718 -7.245 -13.086 1.00 0.00 N ATOM 0 H LYS A 81 -13.392 -3.223 -10.286 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.477 -3.019 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.145 -5.789 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.655 -4.995 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.588 -4.925 -11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.632 -6.257 -10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.002 -7.150 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.609 -6.093 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.346 -7.970 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.965 -8.626 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.477 -7.990 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.732 -7.026 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.164 -6.390 -13.296 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.247 -2.136 -7.263 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.162 -1.570 -5.923 1.00 0.00 C ATOM 1326 C ALA A 82 -15.550 -1.299 -5.353 1.00 0.00 C ATOM 1327 O ALA A 82 -16.274 -0.430 -5.840 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.338 -0.291 -5.941 1.00 0.00 C ATOM 0 H ALA A 82 -13.761 -1.597 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.669 -2.298 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.283 0.121 -4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.332 -0.511 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.808 0.435 -6.604 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.917 -2.048 -4.318 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.218 -1.888 -3.681 1.00 0.00 C ATOM 1336 C LYS A 83 -17.167 -0.812 -2.601 1.00 0.00 C ATOM 1337 O LYS A 83 -16.090 -0.360 -2.213 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.677 -3.215 -3.072 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.304 -4.428 -3.906 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.459 -5.717 -3.117 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.771 -6.883 -3.811 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.505 -7.311 -5.034 1.00 0.00 N ATOM 0 H LYS A 83 -15.331 -2.772 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.932 -1.578 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.241 -3.319 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.759 -3.191 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.933 -4.467 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.274 -4.332 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.039 -5.587 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.518 -5.942 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.754 -6.597 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.695 -7.723 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.663 -8.338 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.421 -6.821 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.944 -7.073 -5.877 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.337 -0.408 -2.119 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.425 0.613 -1.081 1.00 0.00 C ATOM 1358 C ASP A 84 -17.678 0.176 0.175 1.00 0.00 C ATOM 1359 O ASP A 84 -17.466 0.971 1.090 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.888 0.904 -0.745 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.416 0.014 0.363 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.199 0.348 1.546 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.045 -1.018 0.047 1.00 0.00 O ATOM 0 H ASP A 84 -19.238 -0.772 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.960 1.523 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.989 1.948 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.497 0.767 -1.638 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.284 -1.092 0.213 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.563 -1.635 1.359 1.00 0.00 C ATOM 1370 C ASN A 85 -15.064 -1.382 1.227 1.00 0.00 C ATOM 1371 O ASN A 85 -14.318 -1.486 2.201 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.828 -3.136 1.490 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.076 -3.434 2.300 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -18.191 -3.026 3.455 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -19.017 -4.149 1.695 1.00 0.00 N ATOM 0 H ASN A 85 -17.452 -1.763 -0.536 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.922 -1.130 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.930 -3.572 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.969 -3.614 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.878 -4.381 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.879 -4.466 0.736 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.630 -1.048 0.016 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.220 -0.780 -0.243 1.00 0.00 C ATOM 1384 C PHE A 86 -12.837 0.620 0.229 1.00 0.00 C ATOM 1385 O PHE A 86 -11.665 0.995 0.207 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.918 -0.927 -1.736 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.975 -2.347 -2.221 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.129 -3.098 -2.072 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.874 -2.931 -2.828 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.184 -4.406 -2.517 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.923 -4.237 -3.276 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.081 -4.975 -3.121 1.00 0.00 C ATOM 0 H PHE A 86 -15.234 -0.957 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.629 -1.507 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.631 -0.329 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.927 -0.521 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.996 -2.657 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.967 -2.358 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.089 -4.982 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.058 -4.680 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.123 -5.996 -3.472 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.834 1.388 0.656 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.602 2.745 1.135 1.00 0.00 C ATOM 1404 C ALA A 87 -13.342 2.759 2.638 1.00 0.00 C ATOM 1405 O ALA A 87 -14.146 2.257 3.422 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.788 3.634 0.794 1.00 0.00 C ATOM 0 H ALA A 87 -14.810 1.093 0.680 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.715 3.134 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.602 4.645 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.927 3.657 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.687 3.239 1.267 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.212 3.339 3.033 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.866 3.407 4.440 1.00 0.00 C ATOM 1414 C GLY A 88 -10.416 3.790 4.663 1.00 0.00 C ATOM 1415 O GLY A 88 -9.910 4.720 4.036 1.00 0.00 O ATOM 0 H GLY A 88 -11.531 3.763 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.511 4.133 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.059 2.440 4.906 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.747 3.073 5.560 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.348 3.345 5.865 1.00 0.00 C ATOM 1421 C ASN A 89 -7.468 2.156 5.490 1.00 0.00 C ATOM 1422 O ASN A 89 -7.688 1.036 5.953 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.182 3.666 7.352 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.725 3.745 7.767 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.266 2.973 8.609 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -5.992 4.681 7.177 1.00 0.00 N ATOM 0 H ASN A 89 -10.151 2.300 6.088 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.035 4.207 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.672 4.614 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.685 2.902 7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.006 4.782 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.415 5.299 6.484 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.471 2.407 4.648 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.559 1.358 4.209 1.00 0.00 C ATOM 1435 C TYR A 90 -4.238 1.431 4.968 1.00 0.00 C ATOM 1436 O TYR A 90 -3.887 2.471 5.526 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.304 1.473 2.705 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.466 1.011 1.856 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.749 1.496 2.077 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.282 0.090 0.832 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.815 1.076 1.304 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.341 -0.335 0.054 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.605 0.161 0.294 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.664 -0.259 -0.479 1.00 0.00 O ATOM 0 H TYR A 90 -6.274 3.328 4.256 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.024 0.395 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.078 2.511 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.422 0.886 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.916 2.214 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.293 -0.300 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.806 1.462 1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.180 -1.052 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.352 0.438 -0.498 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.509 0.320 4.982 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.227 0.257 5.673 1.00 0.00 C ATOM 1456 C ARG A 91 -1.315 -0.786 5.032 1.00 0.00 C ATOM 1457 O ARG A 91 -1.680 -1.956 4.916 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.435 -0.073 7.152 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.172 0.053 7.988 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.368 -0.518 9.384 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.271 0.302 10.188 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.378 0.198 11.508 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.642 -0.684 12.169 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -3.223 0.979 12.169 1.00 0.00 N ATOM 0 H ARG A 91 -3.784 -0.548 4.523 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.750 1.234 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.198 0.590 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.818 -1.090 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.353 -0.468 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.885 1.102 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.767 -1.530 9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.403 -0.592 9.885 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.851 0.992 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.991 -1.285 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.727 -0.761 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.791 1.659 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.305 0.899 13.183 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.130 -0.353 4.617 1.00 0.00 N ATOM 1479 CA CYS A 92 0.833 -1.248 3.987 1.00 0.00 C ATOM 1480 C CYS A 92 2.088 -1.388 4.843 1.00 0.00 C ATOM 1481 O CYS A 92 2.591 -0.406 5.388 1.00 0.00 O ATOM 1482 CB CYS A 92 1.206 -0.733 2.596 1.00 0.00 C ATOM 1483 SG CYS A 92 2.520 0.509 2.596 1.00 0.00 S ATOM 0 H CYS A 92 0.187 0.612 4.706 1.00 0.00 H new ATOM 0 HA CYS A 92 0.369 -2.230 3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.518 -1.576 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.318 -0.307 2.128 1.00 0.00 H new ATOM 0 HG CYS A 92 3.029 0.603 3.789 1.00 0.00 H new ATOM 1489 N GLU A 93 2.586 -2.615 4.959 1.00 0.00 N ATOM 1490 CA GLU A 93 3.780 -2.883 5.752 1.00 0.00 C ATOM 1491 C GLU A 93 4.743 -3.793 4.995 1.00 0.00 C ATOM 1492 O GLU A 93 4.343 -4.819 4.445 1.00 0.00 O ATOM 1493 CB GLU A 93 3.399 -3.524 7.088 1.00 0.00 C ATOM 1494 CG GLU A 93 2.869 -2.532 8.109 1.00 0.00 C ATOM 1495 CD GLU A 93 2.801 -3.115 9.508 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.979 -4.027 9.732 1.00 0.00 O ATOM 1497 OE2 GLU A 93 3.573 -2.658 10.378 1.00 0.00 O ATOM 0 H GLU A 93 2.181 -3.439 4.514 1.00 0.00 H new ATOM 0 HA GLU A 93 4.279 -1.933 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.644 -4.290 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.273 -4.027 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.508 -1.649 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.875 -2.203 7.808 1.00 0.00 H new ATOM 1504 N VAL A 94 6.015 -3.409 4.970 1.00 0.00 N ATOM 1505 CA VAL A 94 7.036 -4.189 4.282 1.00 0.00 C ATOM 1506 C VAL A 94 8.289 -4.334 5.139 1.00 0.00 C ATOM 1507 O VAL A 94 8.944 -3.346 5.474 1.00 0.00 O ATOM 1508 CB VAL A 94 7.421 -3.547 2.935 1.00 0.00 C ATOM 1509 CG1 VAL A 94 6.176 -3.130 2.168 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.343 -2.358 3.157 1.00 0.00 C ATOM 0 H VAL A 94 6.363 -2.562 5.419 1.00 0.00 H new ATOM 0 HA VAL A 94 6.609 -5.175 4.098 1.00 0.00 H new ATOM 0 HB VAL A 94 7.956 -4.286 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.467 -2.679 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.555 -4.006 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.612 -2.406 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.605 -1.916 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.836 -1.614 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.250 -2.690 3.663 1.00 0.00 H new ATOM 1520 N THR A 95 8.617 -5.572 5.493 1.00 0.00 N ATOM 1521 CA THR A 95 9.791 -5.847 6.312 1.00 0.00 C ATOM 1522 C THR A 95 10.958 -6.328 5.458 1.00 0.00 C ATOM 1523 O THR A 95 10.907 -7.411 4.874 1.00 0.00 O ATOM 1524 CB THR A 95 9.488 -6.906 7.390 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.185 -6.684 7.942 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.528 -6.861 8.499 1.00 0.00 C ATOM 0 H THR A 95 8.086 -6.401 5.225 1.00 0.00 H new ATOM 0 HA THR A 95 10.063 -4.910 6.799 1.00 0.00 H new ATOM 0 HB THR A 95 9.521 -7.890 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.090 -5.740 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.294 -7.617 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.515 -7.058 8.081 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.522 -5.875 8.964 1.00 0.00 H new ATOM 1534 N TYR A 96 12.007 -5.518 5.388 1.00 0.00 N ATOM 1535 CA TYR A 96 13.187 -5.860 4.603 1.00 0.00 C ATOM 1536 C TYR A 96 14.359 -6.223 5.510 1.00 0.00 C ATOM 1537 O TYR A 96 14.428 -5.788 6.660 1.00 0.00 O ATOM 1538 CB TYR A 96 13.575 -4.695 3.691 1.00 0.00 C ATOM 1539 CG TYR A 96 14.698 -5.023 2.734 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.779 -6.270 2.127 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.678 -4.084 2.435 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.804 -6.574 1.252 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.706 -4.379 1.560 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.765 -5.625 0.972 1.00 0.00 C ATOM 1545 OH TYR A 96 17.787 -5.924 0.100 1.00 0.00 O ATOM 0 H TYR A 96 12.065 -4.619 5.866 1.00 0.00 H new ATOM 0 HA TYR A 96 12.944 -6.727 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.700 -4.386 3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.870 -3.845 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.027 -7.015 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.635 -3.107 2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.853 -7.549 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.459 -3.638 1.338 1.00 0.00 H new ATOM 0 HH TYR A 96 18.515 -6.362 0.588 1.00 0.00 H new ATOM 1611 N PHE A 100 12.969 -1.834 8.174 1.00 0.00 N ATOM 1612 CA PHE A 100 11.533 -2.019 8.003 1.00 0.00 C ATOM 1613 C PHE A 100 10.795 -0.688 8.120 1.00 0.00 C ATOM 1614 O PHE A 100 10.943 0.031 9.108 1.00 0.00 O ATOM 1615 CB PHE A 100 10.997 -3.005 9.044 1.00 0.00 C ATOM 1616 CG PHE A 100 9.568 -2.750 9.431 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.532 -3.125 8.592 1.00 0.00 C ATOM 1618 CD2 PHE A 100 9.262 -2.135 10.634 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.216 -2.893 8.945 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.948 -1.900 10.993 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.924 -2.278 10.147 1.00 0.00 C ATOM 0 HA PHE A 100 11.360 -2.424 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 100 11.084 -4.018 8.652 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.621 -2.954 9.936 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.755 -3.605 7.650 1.00 0.00 H new ATOM 0 HD2 PHE A 100 10.059 -1.836 11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.417 -3.192 8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.722 -1.421 11.934 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.897 -2.093 10.425 1.00 0.00 H new ATOM 1631 N ASP A 101 10.002 -0.368 7.104 1.00 0.00 N ATOM 1632 CA ASP A 101 9.240 0.876 7.091 1.00 0.00 C ATOM 1633 C ASP A 101 7.823 0.640 6.577 1.00 0.00 C ATOM 1634 O ASP A 101 7.593 -0.232 5.739 1.00 0.00 O ATOM 1635 CB ASP A 101 9.943 1.920 6.223 1.00 0.00 C ATOM 1636 CG ASP A 101 9.500 3.334 6.545 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.334 3.671 6.251 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.319 4.104 7.090 1.00 0.00 O ATOM 0 H ASP A 101 9.870 -0.952 6.278 1.00 0.00 H new ATOM 0 HA ASP A 101 9.179 1.247 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 101 11.021 1.839 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.742 1.710 5.173 1.00 0.00 H new ATOM 1643 N SER A 102 6.877 1.422 7.086 1.00 0.00 N ATOM 1644 CA SER A 102 5.481 1.295 6.682 1.00 0.00 C ATOM 1645 C SER A 102 4.793 2.657 6.670 1.00 0.00 C ATOM 1646 O SER A 102 5.334 3.642 7.175 1.00 0.00 O ATOM 1647 CB SER A 102 4.740 0.345 7.625 1.00 0.00 C ATOM 1648 OG SER A 102 4.541 0.939 8.896 1.00 0.00 O ATOM 0 H SER A 102 7.051 2.150 7.779 1.00 0.00 H new ATOM 0 HA SER A 102 5.456 0.886 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.777 0.076 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.309 -0.578 7.737 1.00 0.00 H new ATOM 0 HG SER A 102 4.064 0.312 9.479 1.00 0.00 H new ATOM 1654 N CYS A 103 3.599 2.703 6.091 1.00 0.00 N ATOM 1655 CA CYS A 103 2.836 3.944 6.011 1.00 0.00 C ATOM 1656 C CYS A 103 1.338 3.666 6.072 1.00 0.00 C ATOM 1657 O CYS A 103 0.914 2.517 6.196 1.00 0.00 O ATOM 1658 CB CYS A 103 3.176 4.695 4.723 1.00 0.00 C ATOM 1659 SG CYS A 103 2.721 3.812 3.212 1.00 0.00 S ATOM 0 H CYS A 103 3.138 1.896 5.670 1.00 0.00 H new ATOM 0 HA CYS A 103 3.107 4.564 6.866 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.670 5.660 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.247 4.897 4.705 1.00 0.00 H new ATOM 0 HG CYS A 103 2.759 2.531 3.430 1.00 0.00 H new ATOM 1665 N SER A 104 0.540 4.725 5.984 1.00 0.00 N ATOM 1666 CA SER A 104 -0.912 4.596 6.034 1.00 0.00 C ATOM 1667 C SER A 104 -1.577 5.554 5.051 1.00 0.00 C ATOM 1668 O SER A 104 -1.109 6.674 4.845 1.00 0.00 O ATOM 1669 CB SER A 104 -1.420 4.866 7.451 1.00 0.00 C ATOM 1670 OG SER A 104 -0.830 3.977 8.384 1.00 0.00 O ATOM 0 H SER A 104 0.874 5.683 5.878 1.00 0.00 H new ATOM 0 HA SER A 104 -1.172 3.576 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.194 5.895 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.504 4.759 7.478 1.00 0.00 H new ATOM 0 HG SER A 104 -1.170 4.172 9.282 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.672 5.105 4.446 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.402 5.922 3.483 1.00 0.00 C ATOM 1678 C PHE A 105 -4.906 5.705 3.617 1.00 0.00 C ATOM 1679 O PHE A 105 -5.363 4.969 4.492 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.952 5.592 2.058 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.758 4.123 1.815 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.754 3.426 2.468 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.579 3.438 0.934 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.573 2.074 2.247 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.403 2.086 0.710 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.398 1.403 1.366 1.00 0.00 C ATOM 0 H PHE A 105 -3.073 4.181 4.605 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.184 6.969 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.692 5.974 1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.017 6.113 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.105 3.946 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.366 3.967 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.787 1.543 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.051 1.564 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.258 0.347 1.190 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.671 6.350 2.743 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.124 6.228 2.761 1.00 0.00 C ATOM 1698 C ASP A 106 -7.673 6.057 1.349 1.00 0.00 C ATOM 1699 O ASP A 106 -7.085 6.538 0.379 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.752 7.457 3.421 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.850 8.636 2.472 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -8.746 8.625 1.602 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.032 9.570 2.601 1.00 0.00 O ATOM 0 H ASP A 106 -5.309 6.963 2.013 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.382 5.342 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.748 7.202 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.159 7.742 4.290 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.803 5.368 1.238 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.432 5.131 -0.057 1.00 0.00 C ATOM 1710 C LEU A 107 -10.915 5.486 -0.014 1.00 0.00 C ATOM 1711 O LEU A 107 -11.642 5.048 0.877 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.257 3.670 -0.472 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.556 3.347 -1.936 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.044 3.109 -2.138 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.067 4.470 -2.840 1.00 0.00 C ATOM 0 H LEU A 107 -9.303 4.963 2.030 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.945 5.771 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.230 3.373 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.904 3.055 0.154 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.024 2.434 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.237 2.881 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.366 2.272 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.597 4.004 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.288 4.223 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.571 5.398 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.991 4.593 -2.717 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.357 6.279 -0.985 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.754 6.690 -1.059 1.00 0.00 C ATOM 1729 C GLU A 108 -13.471 5.980 -2.204 1.00 0.00 C ATOM 1730 O GLU A 108 -12.872 5.686 -3.239 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.854 8.206 -1.242 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.601 8.991 0.034 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.507 10.485 -0.209 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -13.466 11.055 -0.771 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -11.476 11.083 0.162 1.00 0.00 O ATOM 0 H GLU A 108 -10.768 6.649 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.238 6.412 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.137 8.520 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.846 8.453 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.404 8.792 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.676 8.642 0.493 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.757 5.707 -2.011 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.557 5.033 -3.026 1.00 0.00 C ATOM 1744 C VAL A 109 -16.838 5.806 -3.320 1.00 0.00 C ATOM 1745 O VAL A 109 -17.644 6.055 -2.424 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.922 3.601 -2.593 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.642 2.870 -3.717 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.676 2.840 -2.164 1.00 0.00 C ATOM 0 H VAL A 109 -15.268 5.943 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.949 4.988 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.597 3.659 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.892 1.860 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.556 3.406 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.994 2.820 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.953 1.830 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.975 2.790 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.206 3.354 -1.326 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.019 6.182 -4.582 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.204 6.926 -4.995 1.00 0.00 C ATOM 1760 C HIS A 110 -19.192 6.016 -5.718 1.00 0.00 C ATOM 1761 O HIS A 110 -18.796 5.148 -6.496 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.809 8.092 -5.902 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.099 9.197 -5.182 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.090 10.502 -5.629 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.374 9.187 -4.039 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.388 11.245 -4.793 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.943 10.472 -3.819 1.00 0.00 N ATOM 0 H HIS A 110 -16.361 5.984 -5.336 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.687 7.319 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.168 7.719 -6.701 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.705 8.494 -6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.172 8.328 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.208 12.306 -4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.372 10.779 -3.032 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.479 6.220 -5.455 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.523 5.416 -6.080 1.00 0.00 C ATOM 1778 C GLU A 111 -21.550 5.638 -7.590 1.00 0.00 C ATOM 1779 O GLU A 111 -21.689 6.767 -8.060 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.888 5.757 -5.479 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.057 5.284 -4.045 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.513 5.144 -3.644 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.318 4.689 -4.482 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.846 5.490 -2.491 1.00 0.00 O ATOM 0 H GLU A 111 -20.824 6.935 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.301 4.366 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.032 6.837 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.669 5.310 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.556 4.324 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.565 5.988 -3.374 1.00 0.00 H new ATOM 1791 N SER A 112 -21.416 4.552 -8.344 1.00 0.00 N ATOM 1792 CA SER A 112 -21.420 4.627 -9.800 1.00 0.00 C ATOM 1793 C SER A 112 -22.827 4.893 -10.326 1.00 0.00 C ATOM 1794 O SER A 112 -23.681 4.006 -10.327 1.00 0.00 O ATOM 1795 CB SER A 112 -20.876 3.329 -10.400 1.00 0.00 C ATOM 1796 OG SER A 112 -20.647 3.467 -11.792 1.00 0.00 O ATOM 0 H SER A 112 -21.303 3.610 -7.971 1.00 0.00 H new ATOM 0 HA SER A 112 -20.777 5.455 -10.099 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.946 3.056 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.583 2.519 -10.223 1.00 0.00 H new ATOM 0 HG SER A 112 -20.298 2.625 -12.151 1.00 0.00 H new