USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 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 90 THR OG1 : rot -105:sc= -0.302 USER MOD Set 1.2: A 110 ASN : amide:sc= 1.19 K(o=0.89,f=-1) USER MOD Set 2.1: A 35 TYR OH : rot -139:sc= 2.02 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.246 K(o=2.3,f=-1.2) USER MOD Set 3.1: A 80 SER OG : rot 46:sc= 1.03 USER MOD Set 3.2: A 82 ASN : amide:sc= 0.847 K(o=1.9,f=0.14) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -1.7! C(o=-0.95!,f=-13!) USER MOD Set 4.2: A 108 CYS SG : rot 119:sc= 0.753 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 105:sc= 0.249 USER MOD Single : A 17 ASN : amide:sc= 0.234 K(o=0.23,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot -22:sc= 0.0965 USER MOD Single : A 27 HIS : no HD1:sc= -0.0485 X(o=-0.049,f=-0.049) USER MOD Single : A 29 CYS SG : rot 85:sc= -1.26 USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.62 USER MOD Single : A 36 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= -0.0059 X(o=-0.0059,f=-0.0059) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 0.0191 (180deg=-0.0241) USER MOD Single : A 44 ASN : amide:sc= -2.22! C(o=-2.2!,f=-14!) USER MOD Single : A 49 CYS SG : rot -48:sc= -2.53! USER MOD Single : A 50 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-8.3!) USER MOD Single : A 54 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.7!) USER MOD Single : A 55 GLN : amide:sc= -0.184 K(o=-0.18,f=-3.9!) USER MOD Single : A 60 SER OG : rot 88:sc= 1.13 USER MOD Single : A 62 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 168:sc= -0.341 (180deg=-0.481) USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 88 MET CE :methyl 160:sc= -1.85! (180deg=-2.34) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 76:sc= 0.465 USER MOD Single : A 94 THR OG1 : rot -137:sc= -0.45! USER MOD Single : A 96 GLN : amide:sc= -2.63! K(o=-2.6!,f=-1.2) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 112 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.922 10.984 -10.843 1.00 0.00 N ATOM 108 CA PRO A 9 -2.117 9.657 -11.447 1.00 0.00 C ATOM 109 C PRO A 9 -2.684 8.646 -10.446 1.00 0.00 C ATOM 110 O PRO A 9 -2.650 8.871 -9.236 1.00 0.00 O ATOM 111 CB PRO A 9 -0.704 9.236 -11.865 1.00 0.00 C ATOM 112 CG PRO A 9 0.086 10.496 -11.906 1.00 0.00 C ATOM 113 CD PRO A 9 -0.507 11.385 -10.855 1.00 0.00 C ATOM 0 HA PRO A 9 -2.830 9.691 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.278 8.528 -11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.712 8.745 -12.838 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.140 10.303 -11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.028 10.962 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.036 11.232 -9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.388 12.439 -11.104 1.00 0.00 H new ATOM 121 N THR A 10 -3.177 7.525 -10.962 1.00 0.00 N ATOM 122 CA THR A 10 -3.828 6.511 -10.140 1.00 0.00 C ATOM 123 C THR A 10 -2.811 5.501 -9.586 1.00 0.00 C ATOM 124 O THR A 10 -3.138 4.342 -9.312 1.00 0.00 O ATOM 125 CB THR A 10 -4.908 5.769 -10.956 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.539 6.683 -11.863 1.00 0.00 O ATOM 127 CG2 THR A 10 -5.968 5.170 -10.043 1.00 0.00 C ATOM 0 H THR A 10 -3.137 7.295 -11.955 1.00 0.00 H new ATOM 0 HA THR A 10 -4.298 7.020 -9.299 1.00 0.00 H new ATOM 0 HB THR A 10 -4.422 4.964 -11.507 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.223 6.210 -12.381 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.716 4.653 -10.644 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.501 4.462 -9.358 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.447 5.965 -9.472 1.00 0.00 H new ATOM 135 N GLU A 11 -1.569 5.945 -9.458 1.00 0.00 N ATOM 136 CA GLU A 11 -0.533 5.171 -8.786 1.00 0.00 C ATOM 137 C GLU A 11 0.140 6.041 -7.741 1.00 0.00 C ATOM 138 O GLU A 11 0.466 7.193 -8.018 1.00 0.00 O ATOM 139 CB GLU A 11 0.526 4.685 -9.779 1.00 0.00 C ATOM 140 CG GLU A 11 0.019 3.699 -10.812 1.00 0.00 C ATOM 141 CD GLU A 11 1.129 3.213 -11.717 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.420 3.890 -12.724 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.734 2.162 -11.414 1.00 0.00 O ATOM 0 H GLU A 11 -1.251 6.846 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.001 4.303 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.944 5.549 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.341 4.221 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.438 2.847 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.760 4.170 -11.412 1.00 0.00 H new ATOM 150 N PHE A 12 0.355 5.503 -6.550 1.00 0.00 N ATOM 151 CA PHE A 12 1.030 6.261 -5.504 1.00 0.00 C ATOM 152 C PHE A 12 2.038 5.396 -4.768 1.00 0.00 C ATOM 153 O PHE A 12 1.826 4.200 -4.573 1.00 0.00 O ATOM 154 CB PHE A 12 0.023 6.876 -4.520 1.00 0.00 C ATOM 155 CG PHE A 12 -0.760 5.891 -3.692 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.879 5.257 -4.206 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.390 5.626 -2.383 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.612 4.377 -3.431 1.00 0.00 C ATOM 159 CE2 PHE A 12 -1.117 4.743 -1.605 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.229 4.118 -2.130 1.00 0.00 C ATOM 0 H PHE A 12 0.077 4.558 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 12 1.568 7.077 -5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.561 7.543 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.680 7.490 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.183 5.452 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.477 6.115 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.484 3.892 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.814 4.543 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.798 3.428 -1.525 1.00 0.00 H new ATOM 170 N ILE A 13 3.142 6.008 -4.376 1.00 0.00 N ATOM 171 CA ILE A 13 4.186 5.310 -3.648 1.00 0.00 C ATOM 172 C ILE A 13 4.118 5.665 -2.171 1.00 0.00 C ATOM 173 O ILE A 13 4.098 6.841 -1.804 1.00 0.00 O ATOM 174 CB ILE A 13 5.591 5.647 -4.196 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.675 5.293 -5.684 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.667 4.908 -3.408 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.997 5.655 -6.321 1.00 0.00 C ATOM 0 H ILE A 13 3.339 6.993 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 13 4.019 4.241 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 13 5.761 6.717 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.505 4.223 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.873 5.805 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.649 5.159 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.617 5.203 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.505 3.833 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.982 5.375 -7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.161 6.729 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.802 5.123 -5.815 1.00 0.00 H new ATOM 189 N SER A 14 4.075 4.648 -1.334 1.00 0.00 N ATOM 190 CA SER A 14 3.993 4.850 0.096 1.00 0.00 C ATOM 191 C SER A 14 5.017 3.989 0.817 1.00 0.00 C ATOM 192 O SER A 14 5.132 2.788 0.559 1.00 0.00 O ATOM 193 CB SER A 14 2.583 4.525 0.588 1.00 0.00 C ATOM 194 OG SER A 14 1.624 5.344 -0.057 1.00 0.00 O ATOM 0 H SER A 14 4.096 3.670 -1.622 1.00 0.00 H new ATOM 0 HA SER A 14 4.212 5.895 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.359 3.476 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.527 4.672 1.667 1.00 0.00 H new ATOM 0 HG SER A 14 1.147 4.819 -0.733 1.00 0.00 H new ATOM 200 N ARG A 15 5.754 4.599 1.728 1.00 0.00 N ATOM 201 CA ARG A 15 6.740 3.885 2.507 1.00 0.00 C ATOM 202 C ARG A 15 6.150 3.603 3.878 1.00 0.00 C ATOM 203 O ARG A 15 5.740 4.521 4.595 1.00 0.00 O ATOM 204 CB ARG A 15 8.039 4.691 2.629 1.00 0.00 C ATOM 205 CG ARG A 15 8.636 5.083 1.284 1.00 0.00 C ATOM 206 CD ARG A 15 10.023 5.691 1.433 1.00 0.00 C ATOM 207 NE ARG A 15 10.037 6.835 2.345 1.00 0.00 N ATOM 208 CZ ARG A 15 10.327 8.083 1.974 1.00 0.00 C ATOM 209 NH1 ARG A 15 10.580 8.372 0.706 1.00 0.00 N ATOM 210 NH2 ARG A 15 10.373 9.050 2.880 1.00 0.00 N ATOM 0 H ARG A 15 5.685 5.593 1.945 1.00 0.00 H new ATOM 0 HA ARG A 15 6.991 2.948 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.845 5.593 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.770 4.105 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.692 4.204 0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.978 5.797 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.713 4.930 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.385 6.006 0.454 1.00 0.00 H new ATOM 0 HE ARG A 15 9.811 6.668 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.554 7.636 0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.800 9.330 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.187 8.840 3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.595 10.004 2.596 1.00 0.00 H new ATOM 224 N HIS A 16 6.074 2.335 4.228 1.00 0.00 N ATOM 225 CA HIS A 16 5.405 1.937 5.449 1.00 0.00 C ATOM 226 C HIS A 16 6.228 0.901 6.199 1.00 0.00 C ATOM 227 O HIS A 16 6.942 0.110 5.593 1.00 0.00 O ATOM 228 CB HIS A 16 3.985 1.414 5.157 1.00 0.00 C ATOM 229 CG HIS A 16 3.896 0.143 4.366 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.841 -0.735 4.489 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.712 -0.387 3.428 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.013 -1.748 3.663 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.142 -1.563 3.006 1.00 0.00 N ATOM 0 H HIS A 16 6.466 1.565 3.686 1.00 0.00 H new ATOM 0 HA HIS A 16 5.309 2.817 6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.474 1.262 6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.438 2.190 4.621 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.049 -0.619 5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.641 0.036 3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.343 -2.587 3.544 1.00 0.00 H new ATOM 242 N ASN A 17 6.106 0.905 7.515 1.00 0.00 N ATOM 243 CA ASN A 17 6.878 0.006 8.354 1.00 0.00 C ATOM 244 C ASN A 17 6.326 -1.406 8.220 1.00 0.00 C ATOM 245 O ASN A 17 5.156 -1.580 7.876 1.00 0.00 O ATOM 246 CB ASN A 17 6.836 0.464 9.815 1.00 0.00 C ATOM 247 CG ASN A 17 7.725 -0.380 10.706 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.752 -0.897 10.267 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.336 -0.536 11.958 1.00 0.00 N ATOM 0 H ASN A 17 5.477 1.524 8.027 1.00 0.00 H new ATOM 0 HA ASN A 17 7.918 0.017 8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.148 1.507 9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.810 0.417 10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.893 -1.101 12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.478 -0.091 12.285 1.00 0.00 H new ATOM 256 N ILE A 18 7.178 -2.387 8.522 1.00 0.00 N ATOM 257 CA ILE A 18 6.935 -3.806 8.226 1.00 0.00 C ATOM 258 C ILE A 18 5.598 -4.335 8.749 1.00 0.00 C ATOM 259 O ILE A 18 5.105 -5.351 8.260 1.00 0.00 O ATOM 260 CB ILE A 18 8.076 -4.683 8.786 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.232 -4.467 10.299 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.383 -4.378 8.061 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.295 -5.342 10.937 1.00 0.00 C ATOM 0 H ILE A 18 8.071 -2.219 8.986 1.00 0.00 H new ATOM 0 HA ILE A 18 6.899 -3.868 7.138 1.00 0.00 H new ATOM 0 HB ILE A 18 7.823 -5.730 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.477 -3.421 10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.276 -4.661 10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.178 -5.004 8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.266 -4.584 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.640 -3.328 8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.346 -5.132 12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.042 -6.391 10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.262 -5.132 10.480 1.00 0.00 H new ATOM 275 N GLU A 19 5.017 -3.661 9.734 1.00 0.00 N ATOM 276 CA GLU A 19 3.706 -4.047 10.245 1.00 0.00 C ATOM 277 C GLU A 19 2.622 -3.743 9.218 1.00 0.00 C ATOM 278 O GLU A 19 1.530 -4.304 9.262 1.00 0.00 O ATOM 279 CB GLU A 19 3.395 -3.300 11.541 1.00 0.00 C ATOM 280 CG GLU A 19 4.423 -3.518 12.634 1.00 0.00 C ATOM 281 CD GLU A 19 4.031 -2.846 13.932 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.359 -1.655 14.115 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.388 -3.506 14.771 1.00 0.00 O ATOM 0 H GLU A 19 5.429 -2.849 10.193 1.00 0.00 H new ATOM 0 HA GLU A 19 3.724 -5.119 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.326 -2.233 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.418 -3.616 11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.548 -4.587 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.388 -3.133 12.305 1.00 0.00 H new ATOM 290 N GLY A 20 2.953 -2.872 8.275 1.00 0.00 N ATOM 291 CA GLY A 20 1.983 -2.385 7.324 1.00 0.00 C ATOM 292 C GLY A 20 1.620 -0.940 7.593 1.00 0.00 C ATOM 293 O GLY A 20 0.788 -0.363 6.892 1.00 0.00 O ATOM 0 H GLY A 20 3.891 -2.491 8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.383 -2.479 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.085 -3.002 7.370 1.00 0.00 H new ATOM 297 N ILE A 21 2.287 -0.343 8.576 1.00 0.00 N ATOM 298 CA ILE A 21 1.923 0.987 9.070 1.00 0.00 C ATOM 299 C ILE A 21 2.552 2.081 8.216 1.00 0.00 C ATOM 300 O ILE A 21 3.772 2.165 8.120 1.00 0.00 O ATOM 301 CB ILE A 21 2.387 1.181 10.532 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.821 0.081 11.434 1.00 0.00 C ATOM 303 CG2 ILE A 21 1.981 2.555 11.048 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.314 0.104 11.557 1.00 0.00 C ATOM 0 H ILE A 21 3.088 -0.760 9.051 1.00 0.00 H new ATOM 0 HA ILE A 21 0.837 1.060 9.016 1.00 0.00 H new ATOM 0 HB ILE A 21 3.475 1.113 10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.129 -0.889 11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.258 0.179 12.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.317 2.671 12.078 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.439 3.326 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.896 2.653 11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.010 -0.705 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.002 1.059 11.976 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.134 -0.025 10.572 1.00 0.00 H new ATOM 316 N PHE A 22 1.729 2.928 7.612 1.00 0.00 N ATOM 317 CA PHE A 22 2.232 3.986 6.744 1.00 0.00 C ATOM 318 C PHE A 22 2.883 5.097 7.561 1.00 0.00 C ATOM 319 O PHE A 22 2.303 5.587 8.530 1.00 0.00 O ATOM 320 CB PHE A 22 1.105 4.566 5.890 1.00 0.00 C ATOM 321 CG PHE A 22 0.498 3.583 4.930 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.112 3.305 3.720 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.693 2.942 5.234 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.553 2.407 2.833 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.256 2.043 4.351 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.633 1.777 3.148 1.00 0.00 C ATOM 0 H PHE A 22 0.714 2.904 7.706 1.00 0.00 H new ATOM 0 HA PHE A 22 2.984 3.547 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.323 4.946 6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.490 5.417 5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.040 3.797 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.186 3.148 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.044 2.198 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.183 1.548 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.074 1.076 2.454 1.00 0.00 H new ATOM 336 N THR A 23 4.093 5.480 7.173 1.00 0.00 N ATOM 337 CA THR A 23 4.796 6.567 7.836 1.00 0.00 C ATOM 338 C THR A 23 5.121 7.682 6.840 1.00 0.00 C ATOM 339 O THR A 23 5.440 8.809 7.229 1.00 0.00 O ATOM 340 CB THR A 23 6.088 6.075 8.531 1.00 0.00 C ATOM 341 OG1 THR A 23 6.686 7.142 9.283 1.00 0.00 O ATOM 342 CG2 THR A 23 7.090 5.540 7.518 1.00 0.00 C ATOM 0 H THR A 23 4.607 5.053 6.402 1.00 0.00 H new ATOM 0 HA THR A 23 4.135 6.962 8.607 1.00 0.00 H new ATOM 0 HB THR A 23 5.814 5.264 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.384 8.003 8.926 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.987 5.202 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.648 4.704 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.354 6.330 6.815 1.00 0.00 H new ATOM 350 N PHE A 24 5.052 7.360 5.552 1.00 0.00 N ATOM 351 CA PHE A 24 5.189 8.358 4.503 1.00 0.00 C ATOM 352 C PHE A 24 4.376 7.945 3.283 1.00 0.00 C ATOM 353 O PHE A 24 4.546 6.847 2.760 1.00 0.00 O ATOM 354 CB PHE A 24 6.659 8.548 4.116 1.00 0.00 C ATOM 355 CG PHE A 24 6.873 9.642 3.106 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.930 10.969 3.503 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.010 9.347 1.758 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.119 11.978 2.578 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.198 10.351 0.829 1.00 0.00 C ATOM 360 CZ PHE A 24 7.254 11.669 1.239 1.00 0.00 C ATOM 0 H PHE A 24 4.901 6.411 5.211 1.00 0.00 H new ATOM 0 HA PHE A 24 4.811 9.308 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.237 8.773 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.045 7.611 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.825 11.217 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.969 8.319 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.161 13.007 2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.301 10.106 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.403 12.456 0.514 1.00 0.00 H new ATOM 370 N VAL A 25 3.488 8.820 2.848 1.00 0.00 N ATOM 371 CA VAL A 25 2.639 8.549 1.694 1.00 0.00 C ATOM 372 C VAL A 25 2.715 9.698 0.695 1.00 0.00 C ATOM 373 O VAL A 25 2.746 10.866 1.083 1.00 0.00 O ATOM 374 CB VAL A 25 1.168 8.348 2.127 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.247 8.244 0.921 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.030 7.116 3.007 1.00 0.00 C ATOM 0 H VAL A 25 3.333 9.732 3.278 1.00 0.00 H new ATOM 0 HA VAL A 25 3.000 7.634 1.224 1.00 0.00 H new ATOM 0 HB VAL A 25 0.870 9.223 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.780 8.103 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.313 9.159 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.547 7.395 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.013 6.993 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.358 6.236 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.646 7.235 3.898 1.00 0.00 H new ATOM 386 N ASP A 26 2.767 9.369 -0.590 1.00 0.00 N ATOM 387 CA ASP A 26 2.754 10.379 -1.635 1.00 0.00 C ATOM 388 C ASP A 26 1.326 10.828 -1.943 1.00 0.00 C ATOM 389 O ASP A 26 0.370 10.057 -1.825 1.00 0.00 O ATOM 390 CB ASP A 26 3.425 9.848 -2.900 1.00 0.00 C ATOM 391 CG ASP A 26 3.337 10.832 -4.044 1.00 0.00 C ATOM 392 OD1 ASP A 26 4.090 11.824 -4.041 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.493 10.628 -4.932 1.00 0.00 O ATOM 0 H ASP A 26 2.819 8.409 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 26 3.314 11.242 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.472 9.629 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.955 8.909 -3.193 1.00 0.00 H new ATOM 398 N HIS A 27 1.208 12.094 -2.335 1.00 0.00 N ATOM 399 CA HIS A 27 -0.080 12.768 -2.520 1.00 0.00 C ATOM 400 C HIS A 27 -0.974 12.085 -3.550 1.00 0.00 C ATOM 401 O HIS A 27 -2.181 12.315 -3.557 1.00 0.00 O ATOM 402 CB HIS A 27 0.149 14.213 -2.948 1.00 0.00 C ATOM 403 CG HIS A 27 0.987 15.011 -1.995 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.290 15.367 -2.261 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.695 15.534 -0.779 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.766 16.071 -1.250 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.817 16.186 -0.340 1.00 0.00 N ATOM 0 H HIS A 27 2.011 12.690 -2.536 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.593 12.721 -1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.628 14.219 -3.927 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.818 14.704 -3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.246 15.452 -0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.762 16.482 -1.180 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.905 16.681 0.548 1.00 0.00 H new ATOM 416 N ARG A 28 -0.391 11.253 -4.411 1.00 0.00 N ATOM 417 CA ARG A 28 -1.163 10.542 -5.433 1.00 0.00 C ATOM 418 C ARG A 28 -2.161 9.566 -4.811 1.00 0.00 C ATOM 419 O ARG A 28 -3.012 9.001 -5.502 1.00 0.00 O ATOM 420 CB ARG A 28 -0.230 9.807 -6.393 1.00 0.00 C ATOM 421 CG ARG A 28 0.509 10.732 -7.341 1.00 0.00 C ATOM 422 CD ARG A 28 1.549 9.990 -8.156 1.00 0.00 C ATOM 423 NE ARG A 28 2.685 9.571 -7.337 1.00 0.00 N ATOM 424 CZ ARG A 28 3.569 8.647 -7.701 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.368 7.930 -8.806 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.635 8.420 -6.942 1.00 0.00 N ATOM 0 H ARG A 28 0.609 11.054 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.731 11.286 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.496 9.235 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.810 9.091 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.205 11.210 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.992 11.526 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.092 9.115 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.901 10.630 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 28 2.807 10.016 -6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.536 8.090 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.047 7.221 -9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.773 8.954 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.316 7.712 -7.217 1.00 0.00 H new ATOM 440 N CYS A 29 -2.057 9.384 -3.501 1.00 0.00 N ATOM 441 CA CYS A 29 -2.986 8.550 -2.758 1.00 0.00 C ATOM 442 C CYS A 29 -4.416 9.070 -2.897 1.00 0.00 C ATOM 443 O CYS A 29 -5.371 8.289 -2.967 1.00 0.00 O ATOM 444 CB CYS A 29 -2.578 8.512 -1.284 1.00 0.00 C ATOM 445 SG CYS A 29 -3.600 7.434 -0.258 1.00 0.00 S ATOM 0 H CYS A 29 -1.329 9.809 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.952 7.541 -3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.541 8.184 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.620 9.524 -0.881 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.160 6.213 -0.339 1.00 0.00 H new ATOM 451 N VAL A 30 -4.557 10.389 -2.978 1.00 0.00 N ATOM 452 CA VAL A 30 -5.871 11.018 -3.020 1.00 0.00 C ATOM 453 C VAL A 30 -6.606 10.665 -4.306 1.00 0.00 C ATOM 454 O VAL A 30 -7.813 10.450 -4.299 1.00 0.00 O ATOM 455 CB VAL A 30 -5.766 12.559 -2.879 1.00 0.00 C ATOM 456 CG1 VAL A 30 -4.923 12.915 -1.670 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.191 13.208 -4.129 1.00 0.00 C ATOM 0 H VAL A 30 -3.776 11.044 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.439 10.632 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.776 12.946 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.855 13.999 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.384 12.504 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.923 12.498 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.135 14.287 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.192 12.815 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.833 12.988 -4.982 1.00 0.00 H new ATOM 467 N ALA A 31 -5.864 10.566 -5.397 1.00 0.00 N ATOM 468 CA ALA A 31 -6.458 10.288 -6.692 1.00 0.00 C ATOM 469 C ALA A 31 -6.785 8.810 -6.831 1.00 0.00 C ATOM 470 O ALA A 31 -7.870 8.442 -7.283 1.00 0.00 O ATOM 471 CB ALA A 31 -5.526 10.735 -7.804 1.00 0.00 C ATOM 0 H ALA A 31 -4.850 10.674 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.389 10.849 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.983 10.521 -8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.344 11.806 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.580 10.199 -7.723 1.00 0.00 H new ATOM 477 N THR A 32 -5.829 7.970 -6.465 1.00 0.00 N ATOM 478 CA THR A 32 -5.999 6.528 -6.527 1.00 0.00 C ATOM 479 C THR A 32 -7.162 6.025 -5.667 1.00 0.00 C ATOM 480 O THR A 32 -7.997 5.255 -6.146 1.00 0.00 O ATOM 481 CB THR A 32 -4.708 5.826 -6.079 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.576 6.462 -6.691 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.734 4.359 -6.470 1.00 0.00 C ATOM 0 H THR A 32 -4.917 8.268 -6.118 1.00 0.00 H new ATOM 0 HA THR A 32 -6.228 6.288 -7.565 1.00 0.00 H new ATOM 0 HB THR A 32 -4.631 5.900 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.316 7.245 -6.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.811 3.879 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.584 3.871 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.825 4.273 -7.553 1.00 0.00 H new ATOM 491 N VAL A 33 -7.224 6.446 -4.404 1.00 0.00 N ATOM 492 CA VAL A 33 -8.213 5.883 -3.486 1.00 0.00 C ATOM 493 C VAL A 33 -9.019 6.947 -2.748 1.00 0.00 C ATOM 494 O VAL A 33 -10.111 6.666 -2.268 1.00 0.00 O ATOM 495 CB VAL A 33 -7.564 4.932 -2.459 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.076 3.670 -3.145 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.418 5.613 -1.725 1.00 0.00 C ATOM 0 H VAL A 33 -6.616 7.159 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.900 5.319 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.322 4.663 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.620 3.008 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.918 3.163 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.338 3.930 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.981 4.918 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.657 5.920 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.794 6.490 -1.197 1.00 0.00 H new ATOM 507 N GLY A 34 -8.500 8.160 -2.647 1.00 0.00 N ATOM 508 CA GLY A 34 -9.227 9.189 -1.934 1.00 0.00 C ATOM 509 C GLY A 34 -8.592 9.554 -0.613 1.00 0.00 C ATOM 510 O GLY A 34 -8.843 10.632 -0.073 1.00 0.00 O ATOM 0 H GLY A 34 -7.603 8.448 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.291 10.080 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.248 8.849 -1.758 1.00 0.00 H new ATOM 514 N TYR A 35 -7.785 8.652 -0.076 1.00 0.00 N ATOM 515 CA TYR A 35 -7.094 8.919 1.175 1.00 0.00 C ATOM 516 C TYR A 35 -5.992 9.932 0.962 1.00 0.00 C ATOM 517 O TYR A 35 -5.402 10.011 -0.110 1.00 0.00 O ATOM 518 CB TYR A 35 -6.483 7.650 1.771 1.00 0.00 C ATOM 519 CG TYR A 35 -7.489 6.651 2.286 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.708 7.066 2.804 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.208 5.290 2.277 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.622 6.155 3.291 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.113 4.374 2.765 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.319 4.812 3.270 1.00 0.00 C ATOM 525 OH TYR A 35 -10.228 3.906 3.756 1.00 0.00 O ATOM 0 H TYR A 35 -7.594 7.736 -0.483 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.837 9.310 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.867 7.168 1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.819 7.931 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.945 8.120 2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.264 4.945 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.569 6.493 3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.880 3.320 2.752 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.760 3.218 4.274 1.00 0.00 H new ATOM 535 N GLN A 36 -5.714 10.686 1.997 1.00 0.00 N ATOM 536 CA GLN A 36 -4.635 11.645 1.966 1.00 0.00 C ATOM 537 C GLN A 36 -3.439 11.008 2.644 1.00 0.00 C ATOM 538 O GLN A 36 -3.625 10.106 3.460 1.00 0.00 O ATOM 539 CB GLN A 36 -5.032 12.929 2.707 1.00 0.00 C ATOM 540 CG GLN A 36 -6.491 13.301 2.518 1.00 0.00 C ATOM 541 CD GLN A 36 -6.800 13.827 1.135 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.041 14.607 0.566 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.892 13.353 0.563 1.00 0.00 N ATOM 0 H GLN A 36 -6.225 10.654 2.879 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.401 11.913 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.830 12.804 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.406 13.750 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.110 12.425 2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.765 14.055 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.495 12.707 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.132 13.633 -0.388 1.00 0.00 H new ATOM 552 N PRO A 37 -2.215 11.422 2.305 1.00 0.00 N ATOM 553 CA PRO A 37 -1.016 10.937 2.985 1.00 0.00 C ATOM 554 C PRO A 37 -1.214 10.886 4.496 1.00 0.00 C ATOM 555 O PRO A 37 -0.990 9.856 5.134 1.00 0.00 O ATOM 556 CB PRO A 37 0.036 11.976 2.610 1.00 0.00 C ATOM 557 CG PRO A 37 -0.398 12.503 1.281 1.00 0.00 C ATOM 558 CD PRO A 37 -1.901 12.365 1.221 1.00 0.00 C ATOM 0 HA PRO A 37 -0.746 9.922 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.087 12.772 3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.029 11.530 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.101 13.545 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.073 11.945 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.396 13.324 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.229 11.985 0.254 1.00 0.00 H new ATOM 566 N GLN A 38 -1.708 11.998 5.037 1.00 0.00 N ATOM 567 CA GLN A 38 -1.972 12.139 6.465 1.00 0.00 C ATOM 568 C GLN A 38 -2.878 11.022 6.987 1.00 0.00 C ATOM 569 O GLN A 38 -2.629 10.466 8.057 1.00 0.00 O ATOM 570 CB GLN A 38 -2.632 13.494 6.742 1.00 0.00 C ATOM 571 CG GLN A 38 -1.815 14.694 6.283 1.00 0.00 C ATOM 572 CD GLN A 38 -0.525 14.865 7.061 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.497 15.529 8.100 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.559 14.299 6.556 1.00 0.00 N ATOM 0 H GLN A 38 -1.937 12.830 4.493 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.016 12.074 6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.603 13.520 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.817 13.583 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.582 14.584 5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.417 15.597 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.497 13.757 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.457 14.405 7.028 1.00 0.00 H new ATOM 583 N GLU A 39 -3.896 10.671 6.202 1.00 0.00 N ATOM 584 CA GLU A 39 -4.936 9.748 6.647 1.00 0.00 C ATOM 585 C GLU A 39 -4.362 8.369 6.918 1.00 0.00 C ATOM 586 O GLU A 39 -4.840 7.647 7.791 1.00 0.00 O ATOM 587 CB GLU A 39 -6.044 9.637 5.595 1.00 0.00 C ATOM 588 CG GLU A 39 -6.750 10.949 5.294 1.00 0.00 C ATOM 589 CD GLU A 39 -7.520 11.491 6.478 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.701 11.126 6.638 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.953 12.298 7.241 1.00 0.00 O ATOM 0 H GLU A 39 -4.022 11.015 5.250 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.354 10.145 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.615 9.248 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.781 8.910 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.013 11.687 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.434 10.804 4.458 1.00 0.00 H new ATOM 598 N LEU A 40 -3.334 8.013 6.169 1.00 0.00 N ATOM 599 CA LEU A 40 -2.735 6.698 6.289 1.00 0.00 C ATOM 600 C LEU A 40 -1.624 6.679 7.332 1.00 0.00 C ATOM 601 O LEU A 40 -1.289 5.622 7.866 1.00 0.00 O ATOM 602 CB LEU A 40 -2.190 6.254 4.931 1.00 0.00 C ATOM 603 CG LEU A 40 -3.245 5.975 3.860 1.00 0.00 C ATOM 604 CD1 LEU A 40 -2.581 5.540 2.565 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.218 4.906 4.337 1.00 0.00 C ATOM 0 H LEU A 40 -2.897 8.616 5.472 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.508 6.004 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.515 7.025 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.595 5.352 5.075 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.801 6.894 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.345 5.345 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.918 6.330 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.003 4.632 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.962 4.720 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.673 3.985 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.716 5.246 5.245 1.00 0.00 H new ATOM 617 N LEU A 41 -1.053 7.845 7.617 1.00 0.00 N ATOM 618 CA LEU A 41 0.056 7.937 8.565 1.00 0.00 C ATOM 619 C LEU A 41 -0.369 7.482 9.956 1.00 0.00 C ATOM 620 O LEU A 41 -1.104 8.181 10.660 1.00 0.00 O ATOM 621 CB LEU A 41 0.610 9.364 8.628 1.00 0.00 C ATOM 622 CG LEU A 41 1.050 9.952 7.288 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.688 11.313 7.493 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.010 9.011 6.576 1.00 0.00 C ATOM 0 H LEU A 41 -1.337 8.736 7.209 1.00 0.00 H new ATOM 0 HA LEU A 41 0.844 7.273 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.152 10.014 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.461 9.376 9.309 1.00 0.00 H new ATOM 0 HG LEU A 41 0.168 10.075 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.996 11.719 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.967 11.986 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.559 11.213 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.310 9.449 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.892 8.852 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.517 8.056 6.396 1.00 0.00 H new ATOM 636 N GLY A 42 0.087 6.299 10.339 1.00 0.00 N ATOM 637 CA GLY A 42 -0.237 5.764 11.644 1.00 0.00 C ATOM 638 C GLY A 42 -1.245 4.638 11.570 1.00 0.00 C ATOM 639 O GLY A 42 -1.524 3.979 12.574 1.00 0.00 O ATOM 0 H GLY A 42 0.679 5.698 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.673 5.403 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.632 6.562 12.273 1.00 0.00 H new ATOM 643 N LYS A 43 -1.808 4.420 10.389 1.00 0.00 N ATOM 644 CA LYS A 43 -2.774 3.358 10.196 1.00 0.00 C ATOM 645 C LYS A 43 -2.192 2.283 9.289 1.00 0.00 C ATOM 646 O LYS A 43 -1.332 2.557 8.448 1.00 0.00 O ATOM 647 CB LYS A 43 -4.066 3.930 9.610 1.00 0.00 C ATOM 648 CG LYS A 43 -4.567 5.151 10.366 1.00 0.00 C ATOM 649 CD LYS A 43 -6.028 5.442 10.080 1.00 0.00 C ATOM 650 CE LYS A 43 -6.921 4.311 10.559 1.00 0.00 C ATOM 651 NZ LYS A 43 -8.362 4.664 10.466 1.00 0.00 N ATOM 0 H LYS A 43 -1.609 4.968 9.552 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.007 2.902 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.899 4.198 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.837 3.160 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.432 4.994 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.965 6.018 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.319 6.371 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.168 5.590 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.727 3.419 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.673 4.066 11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.898 4.126 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.482 5.682 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.716 4.431 9.516 1.00 0.00 H new ATOM 665 N ASN A 44 -2.641 1.056 9.487 1.00 0.00 N ATOM 666 CA ASN A 44 -2.114 -0.085 8.751 1.00 0.00 C ATOM 667 C ASN A 44 -2.861 -0.277 7.437 1.00 0.00 C ATOM 668 O ASN A 44 -4.063 -0.029 7.348 1.00 0.00 O ATOM 669 CB ASN A 44 -2.242 -1.349 9.609 1.00 0.00 C ATOM 670 CG ASN A 44 -1.295 -2.458 9.188 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.036 -2.661 8.004 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.763 -3.179 10.163 1.00 0.00 N ATOM 0 H ASN A 44 -3.375 0.821 10.156 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.065 0.102 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.051 -1.093 10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.267 -1.715 9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.113 -3.934 9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.003 -2.980 11.134 1.00 0.00 H new ATOM 679 N ILE A 45 -2.134 -0.729 6.422 1.00 0.00 N ATOM 680 CA ILE A 45 -2.722 -1.058 5.131 1.00 0.00 C ATOM 681 C ILE A 45 -3.731 -2.197 5.280 1.00 0.00 C ATOM 682 O ILE A 45 -4.699 -2.281 4.530 1.00 0.00 O ATOM 683 CB ILE A 45 -1.634 -1.446 4.094 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.260 -1.721 2.722 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.835 -2.653 4.567 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.248 -2.047 1.643 1.00 0.00 C ATOM 0 H ILE A 45 -1.126 -0.877 6.471 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.236 -0.169 4.766 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.951 -0.602 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.961 -2.551 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.837 -0.849 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.080 -2.904 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.348 -2.419 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.505 -3.502 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.766 -2.229 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.561 -1.209 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.687 -2.938 1.927 1.00 0.00 H new ATOM 698 N VAL A 46 -3.515 -3.055 6.281 1.00 0.00 N ATOM 699 CA VAL A 46 -4.408 -4.182 6.533 1.00 0.00 C ATOM 700 C VAL A 46 -5.737 -3.692 7.115 1.00 0.00 C ATOM 701 O VAL A 46 -6.760 -4.370 7.013 1.00 0.00 O ATOM 702 CB VAL A 46 -3.765 -5.219 7.486 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.791 -4.741 8.929 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.445 -6.574 7.351 1.00 0.00 C ATOM 0 H VAL A 46 -2.729 -2.988 6.928 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.593 -4.672 5.577 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.720 -5.331 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.332 -5.494 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.237 -3.806 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.823 -4.580 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.976 -7.286 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.502 -6.477 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.345 -6.931 6.326 1.00 0.00 H new ATOM 714 N GLU A 47 -5.713 -2.497 7.707 1.00 0.00 N ATOM 715 CA GLU A 47 -6.914 -1.884 8.265 1.00 0.00 C ATOM 716 C GLU A 47 -7.901 -1.579 7.151 1.00 0.00 C ATOM 717 O GLU A 47 -9.107 -1.761 7.298 1.00 0.00 O ATOM 718 CB GLU A 47 -6.556 -0.590 8.996 1.00 0.00 C ATOM 719 CG GLU A 47 -5.652 -0.794 10.197 1.00 0.00 C ATOM 720 CD GLU A 47 -6.422 -1.018 11.479 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.213 -1.975 11.546 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.247 -0.216 12.418 1.00 0.00 O ATOM 0 H GLU A 47 -4.869 -1.934 7.811 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.366 -2.580 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.067 0.088 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.474 -0.103 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.001 -1.649 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.008 0.077 10.313 1.00 0.00 H new ATOM 729 N PHE A 48 -7.373 -1.119 6.027 1.00 0.00 N ATOM 730 CA PHE A 48 -8.199 -0.791 4.878 1.00 0.00 C ATOM 731 C PHE A 48 -8.056 -1.863 3.813 1.00 0.00 C ATOM 732 O PHE A 48 -8.324 -1.627 2.637 1.00 0.00 O ATOM 733 CB PHE A 48 -7.824 0.573 4.304 1.00 0.00 C ATOM 734 CG PHE A 48 -7.737 1.659 5.335 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.878 2.289 5.828 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.499 2.053 5.817 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.771 3.286 6.777 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.393 3.046 6.762 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.527 3.663 7.242 1.00 0.00 C ATOM 0 H PHE A 48 -6.374 -0.965 5.887 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.238 -0.747 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.864 0.491 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.561 0.856 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.852 1.996 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.605 1.574 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.659 3.770 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.421 3.342 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.443 4.443 7.984 1.00 0.00 H new ATOM 749 N CYS A 49 -7.612 -3.037 4.232 1.00 0.00 N ATOM 750 CA CYS A 49 -7.536 -4.184 3.345 1.00 0.00 C ATOM 751 C CYS A 49 -8.754 -5.069 3.536 1.00 0.00 C ATOM 752 O CYS A 49 -9.117 -5.401 4.668 1.00 0.00 O ATOM 753 CB CYS A 49 -6.267 -4.993 3.611 1.00 0.00 C ATOM 754 SG CYS A 49 -6.172 -6.533 2.667 1.00 0.00 S ATOM 0 H CYS A 49 -7.298 -3.220 5.185 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.508 -3.820 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.399 -4.378 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.212 -5.226 4.674 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.293 -7.182 2.781 1.00 0.00 H new ATOM 760 N HIS A 50 -9.398 -5.409 2.422 1.00 0.00 N ATOM 761 CA HIS A 50 -10.553 -6.305 2.427 1.00 0.00 C ATOM 762 C HIS A 50 -10.242 -7.552 3.254 1.00 0.00 C ATOM 763 O HIS A 50 -9.234 -8.217 3.024 1.00 0.00 O ATOM 764 CB HIS A 50 -10.924 -6.668 0.977 1.00 0.00 C ATOM 765 CG HIS A 50 -12.000 -7.702 0.832 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.265 -7.569 1.363 1.00 0.00 N ATOM 767 CD2 HIS A 50 -11.988 -8.903 0.208 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.976 -8.645 1.078 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.226 -9.463 0.376 1.00 0.00 N ATOM 0 H HIS A 50 -9.136 -5.074 1.495 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.407 -5.807 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.242 -5.761 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.028 -7.025 0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.156 -9.339 -0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.000 -8.822 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.519 -10.370 0.014 1.00 0.00 H new ATOM 778 N PRO A 51 -11.103 -7.853 4.246 1.00 0.00 N ATOM 779 CA PRO A 51 -10.891 -8.934 5.227 1.00 0.00 C ATOM 780 C PRO A 51 -10.501 -10.277 4.614 1.00 0.00 C ATOM 781 O PRO A 51 -9.857 -11.094 5.270 1.00 0.00 O ATOM 782 CB PRO A 51 -12.252 -9.051 5.912 1.00 0.00 C ATOM 783 CG PRO A 51 -12.817 -7.682 5.838 1.00 0.00 C ATOM 784 CD PRO A 51 -12.353 -7.118 4.523 1.00 0.00 C ATOM 0 HA PRO A 51 -10.058 -8.695 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.892 -9.774 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.150 -9.384 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.905 -7.705 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.470 -7.070 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.092 -7.275 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.180 -6.044 4.587 1.00 0.00 H new ATOM 792 N GLU A 52 -10.873 -10.507 3.362 1.00 0.00 N ATOM 793 CA GLU A 52 -10.573 -11.773 2.711 1.00 0.00 C ATOM 794 C GLU A 52 -9.200 -11.743 2.041 1.00 0.00 C ATOM 795 O GLU A 52 -8.684 -12.778 1.629 1.00 0.00 O ATOM 796 CB GLU A 52 -11.642 -12.113 1.683 1.00 0.00 C ATOM 797 CG GLU A 52 -13.043 -12.184 2.264 1.00 0.00 C ATOM 798 CD GLU A 52 -14.078 -12.568 1.232 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.165 -11.883 0.189 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.814 -13.542 1.460 1.00 0.00 O ATOM 0 H GLU A 52 -11.379 -9.838 2.781 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.561 -12.544 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.624 -11.364 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.400 -13.071 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.059 -12.909 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.304 -11.217 2.694 1.00 0.00 H new ATOM 807 N ASP A 53 -8.598 -10.559 1.963 1.00 0.00 N ATOM 808 CA ASP A 53 -7.318 -10.396 1.277 1.00 0.00 C ATOM 809 C ASP A 53 -6.227 -10.057 2.282 1.00 0.00 C ATOM 810 O ASP A 53 -5.053 -9.942 1.928 1.00 0.00 O ATOM 811 CB ASP A 53 -7.383 -9.272 0.233 1.00 0.00 C ATOM 812 CG ASP A 53 -8.502 -9.442 -0.775 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.637 -10.539 -1.350 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.260 -8.473 -0.988 1.00 0.00 O ATOM 0 H ASP A 53 -8.974 -9.700 2.365 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.093 -11.337 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.509 -8.318 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.432 -9.225 -0.297 1.00 0.00 H new ATOM 819 N GLN A 54 -6.623 -9.901 3.544 1.00 0.00 N ATOM 820 CA GLN A 54 -5.703 -9.489 4.599 1.00 0.00 C ATOM 821 C GLN A 54 -4.557 -10.483 4.750 1.00 0.00 C ATOM 822 O GLN A 54 -3.394 -10.093 4.845 1.00 0.00 O ATOM 823 CB GLN A 54 -6.451 -9.338 5.923 1.00 0.00 C ATOM 824 CG GLN A 54 -7.426 -8.169 5.936 1.00 0.00 C ATOM 825 CD GLN A 54 -8.204 -8.067 7.233 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.487 -9.073 7.882 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.556 -6.852 7.615 1.00 0.00 N ATOM 0 H GLN A 54 -7.580 -10.055 3.860 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.278 -8.525 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.996 -10.259 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.728 -9.207 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.877 -7.242 5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.125 -8.275 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.300 -6.045 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.083 -6.722 8.478 1.00 0.00 H new ATOM 836 N GLN A 55 -4.887 -11.766 4.757 1.00 0.00 N ATOM 837 CA GLN A 55 -3.873 -12.805 4.871 1.00 0.00 C ATOM 838 C GLN A 55 -3.033 -12.865 3.602 1.00 0.00 C ATOM 839 O GLN A 55 -1.826 -13.097 3.663 1.00 0.00 O ATOM 840 CB GLN A 55 -4.518 -14.164 5.143 1.00 0.00 C ATOM 841 CG GLN A 55 -3.515 -15.271 5.428 1.00 0.00 C ATOM 842 CD GLN A 55 -2.610 -14.950 6.604 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.004 -14.234 7.529 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.397 -15.473 6.577 1.00 0.00 N ATOM 0 H GLN A 55 -5.844 -12.112 4.686 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.224 -12.559 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.195 -14.072 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.124 -14.447 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.051 -16.199 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.905 -15.441 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.112 -16.060 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.746 -15.290 7.340 1.00 0.00 H new ATOM 853 N LEU A 56 -3.676 -12.637 2.461 1.00 0.00 N ATOM 854 CA LEU A 56 -2.986 -12.604 1.176 1.00 0.00 C ATOM 855 C LEU A 56 -1.905 -11.530 1.186 1.00 0.00 C ATOM 856 O LEU A 56 -0.795 -11.744 0.689 1.00 0.00 O ATOM 857 CB LEU A 56 -3.988 -12.345 0.046 1.00 0.00 C ATOM 858 CG LEU A 56 -3.388 -12.244 -1.361 1.00 0.00 C ATOM 859 CD1 LEU A 56 -2.707 -13.546 -1.755 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.468 -11.877 -2.371 1.00 0.00 C ATOM 0 H LEU A 56 -4.681 -12.471 2.401 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.512 -13.571 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.727 -13.146 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.520 -11.419 0.262 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.634 -11.457 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.289 -13.449 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.907 -13.767 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.436 -14.356 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.028 -11.809 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.243 -12.643 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.907 -10.916 -2.102 1.00 0.00 H new ATOM 872 N LEU A 57 -2.231 -10.378 1.760 1.00 0.00 N ATOM 873 CA LEU A 57 -1.258 -9.309 1.918 1.00 0.00 C ATOM 874 C LEU A 57 -0.141 -9.727 2.862 1.00 0.00 C ATOM 875 O LEU A 57 1.029 -9.551 2.545 1.00 0.00 O ATOM 876 CB LEU A 57 -1.911 -8.025 2.431 1.00 0.00 C ATOM 877 CG LEU A 57 -2.555 -7.145 1.359 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.001 -5.822 1.963 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.583 -6.900 0.220 1.00 0.00 C ATOM 0 H LEU A 57 -3.160 -10.162 2.122 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.837 -9.111 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.672 -8.292 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.157 -7.438 2.955 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.429 -7.663 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.458 -5.205 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.727 -6.010 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.138 -5.303 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.057 -6.272 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.693 -6.399 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.299 -7.853 -0.227 1.00 0.00 H new ATOM 891 N ARG A 58 -0.505 -10.300 4.007 1.00 0.00 N ATOM 892 CA ARG A 58 0.486 -10.703 5.003 1.00 0.00 C ATOM 893 C ARG A 58 1.478 -11.685 4.404 1.00 0.00 C ATOM 894 O ARG A 58 2.685 -11.470 4.455 1.00 0.00 O ATOM 895 CB ARG A 58 -0.187 -11.347 6.215 1.00 0.00 C ATOM 896 CG ARG A 58 -1.067 -10.400 7.010 1.00 0.00 C ATOM 897 CD ARG A 58 -1.712 -11.111 8.183 1.00 0.00 C ATOM 898 NE ARG A 58 -2.655 -10.249 8.889 1.00 0.00 N ATOM 899 CZ ARG A 58 -3.904 -10.598 9.179 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.352 -11.803 8.838 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.699 -9.745 9.809 1.00 0.00 N ATOM 0 H ARG A 58 -1.472 -10.495 4.267 1.00 0.00 H new ATOM 0 HA ARG A 58 1.014 -9.805 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.790 -12.190 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.583 -11.750 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.471 -9.562 7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.840 -9.986 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.230 -12.002 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.939 -11.446 8.874 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.336 -9.324 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.737 -12.458 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.310 -12.072 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.352 -8.822 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.658 -10.011 10.032 1.00 0.00 H new ATOM 915 N ASP A 59 0.942 -12.743 3.811 1.00 0.00 N ATOM 916 CA ASP A 59 1.745 -13.809 3.216 1.00 0.00 C ATOM 917 C ASP A 59 2.737 -13.249 2.205 1.00 0.00 C ATOM 918 O ASP A 59 3.915 -13.607 2.194 1.00 0.00 O ATOM 919 CB ASP A 59 0.818 -14.803 2.519 1.00 0.00 C ATOM 920 CG ASP A 59 1.534 -16.039 2.021 1.00 0.00 C ATOM 921 OD1 ASP A 59 1.787 -16.953 2.836 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.817 -16.116 0.807 1.00 0.00 O ATOM 0 H ASP A 59 -0.064 -12.889 3.727 1.00 0.00 H new ATOM 0 HA ASP A 59 2.306 -14.305 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.030 -15.102 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.333 -14.309 1.678 1.00 0.00 H new ATOM 927 N SER A 60 2.251 -12.343 1.379 1.00 0.00 N ATOM 928 CA SER A 60 3.047 -11.781 0.305 1.00 0.00 C ATOM 929 C SER A 60 4.048 -10.754 0.833 1.00 0.00 C ATOM 930 O SER A 60 5.158 -10.631 0.312 1.00 0.00 O ATOM 931 CB SER A 60 2.119 -11.163 -0.732 1.00 0.00 C ATOM 932 OG SER A 60 1.182 -12.123 -1.200 1.00 0.00 O ATOM 0 H SER A 60 1.300 -11.978 1.432 1.00 0.00 H new ATOM 0 HA SER A 60 3.627 -12.577 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.592 -10.315 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.703 -10.780 -1.568 1.00 0.00 H new ATOM 0 HG SER A 60 0.392 -12.120 -0.619 1.00 0.00 H new ATOM 938 N PHE A 61 3.664 -10.027 1.879 1.00 0.00 N ATOM 939 CA PHE A 61 4.565 -9.070 2.512 1.00 0.00 C ATOM 940 C PHE A 61 5.685 -9.809 3.232 1.00 0.00 C ATOM 941 O PHE A 61 6.815 -9.333 3.303 1.00 0.00 O ATOM 942 CB PHE A 61 3.813 -8.162 3.494 1.00 0.00 C ATOM 943 CG PHE A 61 2.978 -7.090 2.836 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.229 -6.690 1.531 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.942 -6.475 3.530 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.471 -5.701 0.933 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.181 -5.481 2.935 1.00 0.00 C ATOM 948 CZ PHE A 61 1.445 -5.097 1.634 1.00 0.00 C ATOM 0 H PHE A 61 2.739 -10.082 2.304 1.00 0.00 H new ATOM 0 HA PHE A 61 4.992 -8.439 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.166 -8.779 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.536 -7.687 4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.028 -7.158 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.728 -6.775 4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.681 -5.400 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.383 -5.007 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.850 -4.326 1.166 1.00 0.00 H new ATOM 958 N GLN A 62 5.368 -10.986 3.749 1.00 0.00 N ATOM 959 CA GLN A 62 6.373 -11.832 4.367 1.00 0.00 C ATOM 960 C GLN A 62 7.373 -12.280 3.316 1.00 0.00 C ATOM 961 O GLN A 62 8.571 -12.358 3.570 1.00 0.00 O ATOM 962 CB GLN A 62 5.722 -13.054 5.021 1.00 0.00 C ATOM 963 CG GLN A 62 4.806 -12.719 6.185 1.00 0.00 C ATOM 964 CD GLN A 62 5.547 -12.124 7.369 1.00 0.00 C ATOM 965 OE1 GLN A 62 5.727 -10.910 7.464 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.970 -12.975 8.290 1.00 0.00 N ATOM 0 H GLN A 62 4.425 -11.375 3.752 1.00 0.00 H new ATOM 0 HA GLN A 62 6.887 -11.261 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.151 -13.595 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.505 -13.726 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.043 -12.016 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.288 -13.623 6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.802 -13.975 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.464 -12.631 9.114 1.00 0.00 H new ATOM 975 N GLN A 63 6.868 -12.545 2.120 1.00 0.00 N ATOM 976 CA GLN A 63 7.699 -13.016 1.029 1.00 0.00 C ATOM 977 C GLN A 63 8.569 -11.916 0.446 1.00 0.00 C ATOM 978 O GLN A 63 9.647 -12.198 -0.057 1.00 0.00 O ATOM 979 CB GLN A 63 6.848 -13.655 -0.058 1.00 0.00 C ATOM 980 CG GLN A 63 6.303 -15.002 0.360 1.00 0.00 C ATOM 981 CD GLN A 63 5.495 -15.678 -0.720 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.733 -15.489 -1.914 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.541 -16.479 -0.299 1.00 0.00 N ATOM 0 H GLN A 63 5.881 -12.440 1.883 1.00 0.00 H new ATOM 0 HA GLN A 63 8.369 -13.769 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.020 -12.991 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.445 -13.771 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.132 -15.650 0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.680 -14.876 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.383 -16.602 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.959 -16.977 -0.973 1.00 0.00 H new ATOM 992 N VAL A 64 8.128 -10.665 0.509 1.00 0.00 N ATOM 993 CA VAL A 64 8.982 -9.579 0.055 1.00 0.00 C ATOM 994 C VAL A 64 10.106 -9.360 1.068 1.00 0.00 C ATOM 995 O VAL A 64 11.190 -8.891 0.720 1.00 0.00 O ATOM 996 CB VAL A 64 8.219 -8.257 -0.217 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.734 -7.594 1.061 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.093 -7.301 -1.016 1.00 0.00 C ATOM 0 H VAL A 64 7.212 -10.384 0.859 1.00 0.00 H new ATOM 0 HA VAL A 64 9.396 -9.879 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 64 7.333 -8.508 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.206 -6.673 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.059 -8.269 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.588 -7.364 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.546 -6.376 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.000 -7.080 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.360 -7.761 -1.967 1.00 0.00 H new ATOM 1008 N VAL A 65 9.848 -9.727 2.320 1.00 0.00 N ATOM 1009 CA VAL A 65 10.887 -9.738 3.341 1.00 0.00 C ATOM 1010 C VAL A 65 11.794 -10.952 3.133 1.00 0.00 C ATOM 1011 O VAL A 65 12.975 -10.926 3.461 1.00 0.00 O ATOM 1012 CB VAL A 65 10.293 -9.769 4.767 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.394 -9.762 5.820 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.349 -8.593 4.982 1.00 0.00 C ATOM 0 H VAL A 65 8.929 -10.020 2.650 1.00 0.00 H new ATOM 0 HA VAL A 65 11.463 -8.818 3.243 1.00 0.00 H new ATOM 0 HB VAL A 65 9.727 -10.694 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.947 -9.784 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.029 -10.638 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.995 -8.859 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.942 -8.633 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.895 -7.659 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.534 -8.644 4.260 1.00 0.00 H new ATOM 1024 N LYS A 66 11.227 -12.009 2.567 1.00 0.00 N ATOM 1025 CA LYS A 66 11.993 -13.205 2.232 1.00 0.00 C ATOM 1026 C LYS A 66 12.791 -12.999 0.942 1.00 0.00 C ATOM 1027 O LYS A 66 13.799 -13.669 0.709 1.00 0.00 O ATOM 1028 CB LYS A 66 11.063 -14.421 2.117 1.00 0.00 C ATOM 1029 CG LYS A 66 10.466 -14.836 3.454 1.00 0.00 C ATOM 1030 CD LYS A 66 9.420 -15.932 3.311 1.00 0.00 C ATOM 1031 CE LYS A 66 10.020 -17.217 2.764 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.032 -18.328 2.764 1.00 0.00 N ATOM 0 H LYS A 66 10.237 -12.064 2.329 1.00 0.00 H new ATOM 0 HA LYS A 66 12.705 -13.394 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.257 -14.191 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.619 -15.259 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.263 -15.183 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.014 -13.967 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.964 -16.128 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.625 -15.591 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.378 -17.048 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.885 -17.499 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.477 -19.188 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.709 -18.506 3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.218 -18.069 2.171 1.00 0.00 H new ATOM 1046 N LEU A 67 12.329 -12.077 0.106 1.00 0.00 N ATOM 1047 CA LEU A 67 13.033 -11.730 -1.124 1.00 0.00 C ATOM 1048 C LEU A 67 14.112 -10.680 -0.874 1.00 0.00 C ATOM 1049 O LEU A 67 15.263 -10.867 -1.264 1.00 0.00 O ATOM 1050 CB LEU A 67 12.046 -11.227 -2.182 1.00 0.00 C ATOM 1051 CG LEU A 67 11.136 -12.302 -2.775 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.312 -11.729 -3.912 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.956 -13.486 -3.262 1.00 0.00 C ATOM 0 H LEU A 67 11.467 -11.554 0.258 1.00 0.00 H new ATOM 0 HA LEU A 67 13.520 -12.633 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.424 -10.450 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.609 -10.761 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 67 10.459 -12.648 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.669 -12.507 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.697 -10.910 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.977 -11.357 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.291 -14.241 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.656 -13.153 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.510 -13.914 -2.426 1.00 0.00 H new ATOM 1065 N LYS A 68 13.730 -9.584 -0.223 1.00 0.00 N ATOM 1066 CA LYS A 68 14.656 -8.495 0.105 1.00 0.00 C ATOM 1067 C LYS A 68 15.242 -7.845 -1.141 1.00 0.00 C ATOM 1068 O LYS A 68 16.242 -8.302 -1.696 1.00 0.00 O ATOM 1069 CB LYS A 68 15.780 -8.991 1.010 1.00 0.00 C ATOM 1070 CG LYS A 68 15.286 -9.387 2.378 1.00 0.00 C ATOM 1071 CD LYS A 68 16.375 -10.015 3.214 1.00 0.00 C ATOM 1072 CE LYS A 68 15.829 -10.419 4.564 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.834 -11.151 5.377 1.00 0.00 N ATOM 0 H LYS A 68 12.774 -9.423 0.093 1.00 0.00 H new ATOM 0 HA LYS A 68 14.077 -7.738 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.269 -9.846 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.533 -8.209 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.897 -8.508 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.458 -10.089 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.780 -10.888 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.197 -9.311 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.505 -9.530 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.949 -11.047 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.417 -11.409 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.125 -12.014 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.664 -10.544 5.532 1.00 0.00 H new ATOM 1087 N GLY A 69 14.617 -6.765 -1.561 1.00 0.00 N ATOM 1088 CA GLY A 69 15.090 -6.034 -2.721 1.00 0.00 C ATOM 1089 C GLY A 69 14.385 -6.452 -3.991 1.00 0.00 C ATOM 1090 O GLY A 69 14.509 -5.799 -5.028 1.00 0.00 O ATOM 0 H GLY A 69 13.784 -6.374 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.941 -4.966 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.162 -6.192 -2.835 1.00 0.00 H new ATOM 1094 N GLN A 70 13.639 -7.542 -3.907 1.00 0.00 N ATOM 1095 CA GLN A 70 12.885 -8.039 -5.037 1.00 0.00 C ATOM 1096 C GLN A 70 11.468 -7.501 -4.986 1.00 0.00 C ATOM 1097 O GLN A 70 10.858 -7.448 -3.915 1.00 0.00 O ATOM 1098 CB GLN A 70 12.865 -9.567 -5.032 1.00 0.00 C ATOM 1099 CG GLN A 70 13.800 -10.205 -6.044 1.00 0.00 C ATOM 1100 CD GLN A 70 15.255 -9.811 -5.867 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.716 -9.539 -4.760 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.986 -9.789 -6.966 1.00 0.00 N ATOM 0 H GLN A 70 13.542 -8.100 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 70 13.364 -7.700 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.131 -9.919 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.848 -9.907 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 70 13.715 -11.289 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.478 -9.928 -7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.563 -10.022 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.974 -9.539 -6.917 1.00 0.00 H new ATOM 1111 N VAL A 71 10.955 -7.096 -6.133 1.00 0.00 N ATOM 1112 CA VAL A 71 9.609 -6.561 -6.207 1.00 0.00 C ATOM 1113 C VAL A 71 8.583 -7.690 -6.137 1.00 0.00 C ATOM 1114 O VAL A 71 8.593 -8.619 -6.949 1.00 0.00 O ATOM 1115 CB VAL A 71 9.398 -5.712 -7.486 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.745 -6.501 -8.743 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.972 -5.189 -7.557 1.00 0.00 C ATOM 0 H VAL A 71 11.449 -7.127 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 71 9.468 -5.902 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 71 10.076 -4.860 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.585 -5.875 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.790 -6.809 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.108 -7.384 -8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.847 -4.596 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.277 -6.029 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.769 -4.567 -6.685 1.00 0.00 H new ATOM 1127 N LEU A 72 7.720 -7.618 -5.137 1.00 0.00 N ATOM 1128 CA LEU A 72 6.693 -8.630 -4.937 1.00 0.00 C ATOM 1129 C LEU A 72 5.333 -8.036 -5.283 1.00 0.00 C ATOM 1130 O LEU A 72 4.863 -7.126 -4.609 1.00 0.00 O ATOM 1131 CB LEU A 72 6.716 -9.105 -3.474 1.00 0.00 C ATOM 1132 CG LEU A 72 6.169 -10.515 -3.200 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.678 -10.608 -3.495 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.941 -11.542 -4.010 1.00 0.00 C ATOM 0 H LEU A 72 7.710 -6.866 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 72 6.883 -9.486 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.746 -9.064 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.144 -8.395 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 72 6.304 -10.726 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.329 -11.620 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.138 -9.902 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.499 -10.369 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.545 -12.537 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.839 -11.319 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.994 -11.507 -3.732 1.00 0.00 H new ATOM 1146 N SER A 73 4.699 -8.550 -6.320 1.00 0.00 N ATOM 1147 CA SER A 73 3.416 -8.019 -6.746 1.00 0.00 C ATOM 1148 C SER A 73 2.286 -8.777 -6.069 1.00 0.00 C ATOM 1149 O SER A 73 2.166 -9.994 -6.206 1.00 0.00 O ATOM 1150 CB SER A 73 3.286 -8.106 -8.269 1.00 0.00 C ATOM 1151 OG SER A 73 4.280 -7.320 -8.907 1.00 0.00 O ATOM 0 H SER A 73 5.047 -9.328 -6.880 1.00 0.00 H new ATOM 0 HA SER A 73 3.353 -6.971 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.378 -9.144 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.296 -7.766 -8.574 1.00 0.00 H new ATOM 0 HG SER A 73 4.179 -7.392 -9.879 1.00 0.00 H new ATOM 1157 N VAL A 74 1.468 -8.051 -5.330 1.00 0.00 N ATOM 1158 CA VAL A 74 0.321 -8.636 -4.663 1.00 0.00 C ATOM 1159 C VAL A 74 -0.901 -7.796 -4.925 1.00 0.00 C ATOM 1160 O VAL A 74 -0.855 -6.569 -4.911 1.00 0.00 O ATOM 1161 CB VAL A 74 0.559 -8.805 -3.142 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.910 -7.476 -2.489 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.651 -9.434 -2.466 1.00 0.00 C ATOM 0 H VAL A 74 1.578 -7.049 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 74 0.165 -9.635 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 74 1.407 -9.477 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.071 -7.626 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.818 -7.077 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.092 -6.771 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.457 -9.541 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.523 -8.797 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.841 -10.415 -2.900 1.00 0.00 H new ATOM 1173 N MET A 75 -1.983 -8.475 -5.196 1.00 0.00 N ATOM 1174 CA MET A 75 -3.185 -7.820 -5.618 1.00 0.00 C ATOM 1175 C MET A 75 -4.294 -8.059 -4.605 1.00 0.00 C ATOM 1176 O MET A 75 -4.547 -9.193 -4.204 1.00 0.00 O ATOM 1177 CB MET A 75 -3.571 -8.327 -7.000 1.00 0.00 C ATOM 1178 CG MET A 75 -4.654 -7.506 -7.639 1.00 0.00 C ATOM 1179 SD MET A 75 -5.037 -8.046 -9.316 1.00 0.00 S ATOM 1180 CE MET A 75 -6.343 -6.899 -9.745 1.00 0.00 C ATOM 0 H MET A 75 -2.053 -9.490 -5.130 1.00 0.00 H new ATOM 0 HA MET A 75 -3.022 -6.744 -5.678 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.691 -8.322 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.904 -9.362 -6.923 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.555 -7.562 -7.029 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.348 -6.460 -7.659 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.542 -6.958 -10.815 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.248 -7.155 -9.193 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.036 -5.885 -9.488 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.941 -6.979 -4.206 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.939 -7.017 -3.143 1.00 0.00 C ATOM 1192 C PHE A 76 -6.943 -5.889 -3.344 1.00 0.00 C ATOM 1193 O PHE A 76 -6.828 -5.108 -4.294 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.265 -6.880 -1.772 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.645 -5.533 -1.527 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.486 -5.160 -2.184 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.222 -4.643 -0.637 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.913 -3.927 -1.959 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.653 -3.407 -0.407 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.497 -3.049 -1.070 1.00 0.00 C ATOM 0 H PHE A 76 -4.793 -6.052 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.459 -7.974 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.004 -7.075 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.494 -7.645 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.025 -5.843 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.127 -4.919 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.008 -3.649 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.111 -2.721 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.050 -2.082 -0.893 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.923 -5.805 -2.459 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.925 -4.757 -2.543 1.00 0.00 C ATOM 1212 C ARG A 77 -8.653 -3.679 -1.497 1.00 0.00 C ATOM 1213 O ARG A 77 -8.869 -3.885 -0.299 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.326 -5.344 -2.370 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.637 -6.438 -3.377 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.031 -7.005 -3.190 1.00 0.00 C ATOM 1217 NE ARG A 77 -13.076 -6.067 -3.596 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.239 -6.446 -4.123 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.465 -7.738 -4.348 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -15.165 -5.541 -4.435 1.00 0.00 N ATOM 0 H ARG A 77 -8.045 -6.448 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.869 -4.297 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.424 -5.747 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.063 -4.547 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.541 -6.039 -4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.904 -7.239 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.127 -7.924 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.174 -7.272 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.906 -5.069 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.751 -8.428 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.353 -8.038 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.986 -4.550 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.053 -5.839 -4.838 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.166 -2.535 -1.969 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.806 -1.418 -1.107 1.00 0.00 C ATOM 1236 C PHE A 78 -9.039 -0.563 -0.845 1.00 0.00 C ATOM 1237 O PHE A 78 -9.856 -0.355 -1.743 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.720 -0.575 -1.792 1.00 0.00 C ATOM 1239 CG PHE A 78 -5.981 0.366 -0.873 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.497 1.616 -0.566 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.760 0.003 -0.330 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.809 2.482 0.262 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.070 0.863 0.501 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.595 2.105 0.797 1.00 0.00 C ATOM 0 H PHE A 78 -8.010 -2.358 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.423 -1.794 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.999 -1.246 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.180 0.006 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.449 1.916 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.342 -0.966 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.222 3.454 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.120 0.564 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.056 2.780 1.446 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.183 -0.082 0.376 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.350 0.703 0.734 1.00 0.00 C ATOM 1256 C ARG A 79 -10.229 2.145 0.231 1.00 0.00 C ATOM 1257 O ARG A 79 -9.339 2.885 0.634 1.00 0.00 O ATOM 1258 CB ARG A 79 -10.571 0.693 2.246 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.034 0.802 2.625 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.234 1.200 4.077 1.00 0.00 C ATOM 1261 NE ARG A 79 -11.678 0.250 5.035 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.158 0.096 6.272 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.219 0.794 6.663 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.587 -0.747 7.117 1.00 0.00 N ATOM 0 H ARG A 79 -8.512 -0.220 1.132 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.212 0.243 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.160 -0.226 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.021 1.520 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.518 1.536 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.525 -0.154 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.777 2.176 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.301 1.311 4.269 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.885 -0.324 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.666 1.446 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.587 0.677 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.772 -1.287 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.962 -0.857 8.059 1.00 0.00 H new ATOM 1278 N SER A 80 -11.112 2.502 -0.688 1.00 0.00 N ATOM 1279 CA SER A 80 -11.262 3.873 -1.163 1.00 0.00 C ATOM 1280 C SER A 80 -11.744 4.788 -0.030 1.00 0.00 C ATOM 1281 O SER A 80 -12.166 4.304 1.016 1.00 0.00 O ATOM 1282 CB SER A 80 -12.264 3.880 -2.328 1.00 0.00 C ATOM 1283 OG SER A 80 -12.667 5.191 -2.688 1.00 0.00 O ATOM 0 H SER A 80 -11.752 1.843 -1.131 1.00 0.00 H new ATOM 0 HA SER A 80 -10.298 4.251 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.815 3.391 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.142 3.296 -2.052 1.00 0.00 H new ATOM 0 HG SER A 80 -11.879 5.770 -2.750 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.705 6.105 -0.242 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.216 7.055 0.744 1.00 0.00 C ATOM 1291 C LYS A 81 -13.727 6.883 0.899 1.00 0.00 C ATOM 1292 O LYS A 81 -14.314 7.270 1.906 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.897 8.498 0.330 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.317 9.530 1.370 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.538 9.368 2.669 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.184 10.124 3.822 1.00 0.00 C ATOM 1297 NZ LYS A 81 -12.437 11.553 3.488 1.00 0.00 N ATOM 0 H LYS A 81 -11.326 6.535 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.728 6.854 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.826 8.589 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.398 8.718 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.158 10.533 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.384 9.432 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.472 8.310 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.518 9.726 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.125 9.643 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.539 10.067 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.734 12.063 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.566 11.982 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.188 11.614 2.771 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.329 6.230 -0.088 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.760 5.967 -0.097 1.00 0.00 C ATOM 1313 C ASN A 82 -15.993 4.680 0.667 1.00 0.00 C ATOM 1314 O ASN A 82 -17.118 4.214 0.828 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.282 5.815 -1.534 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.993 7.019 -2.414 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.780 7.961 -2.477 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.869 6.986 -3.115 1.00 0.00 N ATOM 0 H ASN A 82 -13.837 5.868 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.291 6.800 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.832 4.930 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.358 5.646 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.631 7.761 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.241 6.186 -3.035 1.00 0.00 H new ATOM 1325 N GLN A 83 -14.871 4.110 1.102 1.00 0.00 N ATOM 1326 CA GLN A 83 -14.829 2.891 1.888 1.00 0.00 C ATOM 1327 C GLN A 83 -15.280 1.690 1.069 1.00 0.00 C ATOM 1328 O GLN A 83 -15.732 0.679 1.611 1.00 0.00 O ATOM 1329 CB GLN A 83 -15.627 3.055 3.178 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.153 4.239 4.013 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.699 4.148 4.424 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.371 3.575 5.463 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -12.819 4.736 3.632 1.00 0.00 N ATOM 0 H GLN A 83 -13.947 4.497 0.910 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.795 2.698 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -16.681 3.186 2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -15.547 2.143 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -15.304 5.157 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.771 4.312 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.131 5.201 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.828 4.725 3.874 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.150 1.819 -0.249 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.262 0.688 -1.146 1.00 0.00 C ATOM 1344 C GLU A 84 -13.929 -0.033 -1.185 1.00 0.00 C ATOM 1345 O GLU A 84 -12.950 0.461 -0.642 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.650 1.138 -2.548 1.00 0.00 C ATOM 1347 CG GLU A 84 -17.084 1.606 -2.660 1.00 0.00 C ATOM 1348 CD GLU A 84 -18.058 0.608 -2.073 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -18.313 -0.428 -2.722 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.555 0.842 -0.953 1.00 0.00 O ATOM 0 H GLU A 84 -14.965 2.707 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.042 0.020 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.988 1.947 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.491 0.313 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.193 2.562 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.328 1.776 -3.709 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.875 -1.178 -1.832 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.666 -1.988 -1.804 1.00 0.00 C ATOM 1359 C TRP A 85 -12.258 -2.349 -3.227 1.00 0.00 C ATOM 1360 O TRP A 85 -12.748 -3.321 -3.796 1.00 0.00 O ATOM 1361 CB TRP A 85 -12.900 -3.242 -0.953 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.504 -2.941 0.391 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -14.811 -2.648 0.669 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.820 -2.912 1.637 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -14.965 -2.423 2.017 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.761 -2.591 2.632 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.505 -3.126 2.007 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.417 -2.487 3.975 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.166 -3.024 3.333 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.114 -2.708 4.306 1.00 0.00 C ATOM 0 H TRP A 85 -14.642 -1.569 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.852 -1.421 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.556 -3.924 -1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -11.951 -3.759 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.605 -2.600 -0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.838 -2.171 2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.758 -3.369 1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.153 -2.241 4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.141 -3.192 3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.810 -2.637 5.340 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.357 -1.553 -3.789 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.019 -1.631 -5.210 1.00 0.00 C ATOM 1383 C LEU A 86 -9.779 -2.473 -5.483 1.00 0.00 C ATOM 1384 O LEU A 86 -8.928 -2.654 -4.622 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.825 -0.223 -5.771 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.284 0.815 -4.785 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.775 0.684 -4.633 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.664 2.220 -5.223 1.00 0.00 C ATOM 0 H LEU A 86 -10.840 -0.837 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.852 -2.126 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.144 -0.281 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.782 0.131 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.737 0.628 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.414 1.432 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.532 -0.312 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.297 0.838 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.270 2.943 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.245 2.419 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.750 2.307 -5.265 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.683 -2.954 -6.714 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.586 -3.827 -7.122 1.00 0.00 C ATOM 1402 C TRP A 87 -7.295 -3.055 -7.328 1.00 0.00 C ATOM 1403 O TRP A 87 -7.126 -2.351 -8.327 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.937 -4.573 -8.407 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.965 -5.634 -8.207 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.226 -5.655 -8.715 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.818 -6.825 -7.431 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.877 -6.793 -8.305 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -11.031 -7.528 -7.512 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.774 -7.367 -6.672 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.231 -8.747 -6.867 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.971 -8.574 -6.032 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.193 -9.253 -6.131 1.00 0.00 C ATOM 0 H TRP A 87 -10.356 -2.754 -7.454 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.434 -4.542 -6.314 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.300 -3.859 -9.147 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.033 -5.024 -8.816 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.653 -4.890 -9.347 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.833 -7.050 -8.550 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.830 -6.849 -6.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.171 -9.274 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.171 -9.002 -5.446 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.319 -10.194 -5.616 1.00 0.00 H new ATOM 1424 N MET A 88 -6.391 -3.203 -6.382 1.00 0.00 N ATOM 1425 CA MET A 88 -5.084 -2.581 -6.450 1.00 0.00 C ATOM 1426 C MET A 88 -4.004 -3.648 -6.379 1.00 0.00 C ATOM 1427 O MET A 88 -4.083 -4.567 -5.563 1.00 0.00 O ATOM 1428 CB MET A 88 -4.928 -1.594 -5.293 1.00 0.00 C ATOM 1429 CG MET A 88 -3.545 -0.980 -5.162 1.00 0.00 C ATOM 1430 SD MET A 88 -3.511 0.734 -5.705 1.00 0.00 S ATOM 1431 CE MET A 88 -4.566 1.479 -4.466 1.00 0.00 C ATOM 0 H MET A 88 -6.542 -3.760 -5.541 1.00 0.00 H new ATOM 0 HA MET A 88 -4.985 -2.043 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.656 -0.792 -5.417 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.173 -2.105 -4.362 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.221 -1.037 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.834 -1.560 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.379 2.552 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.610 1.301 -4.723 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.352 1.038 -3.493 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.020 -3.550 -7.253 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.884 -4.446 -7.208 1.00 0.00 C ATOM 1443 C ARG A 89 -0.665 -3.668 -6.750 1.00 0.00 C ATOM 1444 O ARG A 89 -0.142 -2.815 -7.469 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.631 -5.093 -8.571 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.563 -6.173 -8.541 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.422 -6.853 -9.893 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.656 -7.515 -10.309 1.00 0.00 N ATOM 1449 CZ ARG A 89 -1.779 -8.237 -11.425 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.737 -8.396 -12.239 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -2.946 -8.799 -11.719 1.00 0.00 N ATOM 0 H ARG A 89 -2.986 -2.858 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.093 -5.251 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.562 -5.524 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.336 -4.321 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.392 -5.734 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.815 -6.915 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.138 -6.114 -10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.384 -7.586 -9.847 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.475 -7.420 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.159 -7.965 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.835 -8.948 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.742 -8.678 -11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.046 -9.352 -12.570 1.00 0.00 H new ATOM 1465 N THR A 90 -0.235 -3.952 -5.542 1.00 0.00 N ATOM 1466 CA THR A 90 0.846 -3.220 -4.928 1.00 0.00 C ATOM 1467 C THR A 90 2.180 -3.917 -5.164 1.00 0.00 C ATOM 1468 O THR A 90 2.310 -5.131 -4.977 1.00 0.00 O ATOM 1469 CB THR A 90 0.590 -3.059 -3.417 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.646 -2.362 -3.211 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.715 -2.300 -2.740 1.00 0.00 C ATOM 0 H THR A 90 -0.624 -4.694 -4.960 1.00 0.00 H new ATOM 0 HA THR A 90 0.892 -2.232 -5.387 1.00 0.00 H new ATOM 0 HB THR A 90 0.538 -4.055 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.460 -1.441 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.501 -2.205 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.652 -2.841 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.802 -1.308 -3.182 1.00 0.00 H new ATOM 1479 N SER A 91 3.156 -3.141 -5.605 1.00 0.00 N ATOM 1480 CA SER A 91 4.499 -3.634 -5.813 1.00 0.00 C ATOM 1481 C SER A 91 5.292 -3.483 -4.523 1.00 0.00 C ATOM 1482 O SER A 91 5.559 -2.366 -4.072 1.00 0.00 O ATOM 1483 CB SER A 91 5.162 -2.858 -6.950 1.00 0.00 C ATOM 1484 OG SER A 91 4.359 -2.893 -8.119 1.00 0.00 O ATOM 0 H SER A 91 3.036 -2.153 -5.828 1.00 0.00 H new ATOM 0 HA SER A 91 4.470 -4.688 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.323 -1.824 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.142 -3.284 -7.164 1.00 0.00 H new ATOM 0 HG SER A 91 4.800 -2.389 -8.834 1.00 0.00 H new ATOM 1490 N SER A 92 5.641 -4.603 -3.920 1.00 0.00 N ATOM 1491 CA SER A 92 6.306 -4.597 -2.633 1.00 0.00 C ATOM 1492 C SER A 92 7.811 -4.559 -2.810 1.00 0.00 C ATOM 1493 O SER A 92 8.377 -5.346 -3.570 1.00 0.00 O ATOM 1494 CB SER A 92 5.920 -5.834 -1.824 1.00 0.00 C ATOM 1495 OG SER A 92 4.523 -6.076 -1.904 1.00 0.00 O ATOM 0 H SER A 92 5.474 -5.533 -4.304 1.00 0.00 H new ATOM 0 HA SER A 92 5.988 -3.704 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.465 -6.701 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.210 -5.697 -0.782 1.00 0.00 H new ATOM 0 HG SER A 92 4.308 -6.463 -2.778 1.00 0.00 H new ATOM 1501 N PHE A 93 8.443 -3.630 -2.125 1.00 0.00 N ATOM 1502 CA PHE A 93 9.886 -3.563 -2.064 1.00 0.00 C ATOM 1503 C PHE A 93 10.310 -3.462 -0.608 1.00 0.00 C ATOM 1504 O PHE A 93 9.720 -2.714 0.162 1.00 0.00 O ATOM 1505 CB PHE A 93 10.388 -2.348 -2.853 1.00 0.00 C ATOM 1506 CG PHE A 93 11.850 -2.041 -2.655 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.268 -1.212 -1.619 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.806 -2.582 -3.498 1.00 0.00 C ATOM 1509 CE1 PHE A 93 13.610 -0.934 -1.432 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.147 -2.304 -3.316 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.549 -1.480 -2.283 1.00 0.00 C ATOM 0 H PHE A 93 7.969 -2.899 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 93 10.318 -4.460 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.205 -2.518 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.803 -1.475 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.536 -0.780 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.500 -3.229 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.922 -0.291 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.882 -2.731 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.597 -1.263 -2.141 1.00 0.00 H new ATOM 1521 N THR A 94 11.310 -4.225 -0.226 1.00 0.00 N ATOM 1522 CA THR A 94 11.831 -4.152 1.122 1.00 0.00 C ATOM 1523 C THR A 94 13.132 -3.370 1.148 1.00 0.00 C ATOM 1524 O THR A 94 14.146 -3.808 0.605 1.00 0.00 O ATOM 1525 CB THR A 94 12.030 -5.555 1.704 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.402 -6.467 0.658 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.761 -6.037 2.388 1.00 0.00 C ATOM 0 H THR A 94 11.778 -4.902 -0.828 1.00 0.00 H new ATOM 0 HA THR A 94 11.104 -3.628 1.742 1.00 0.00 H new ATOM 0 HB THR A 94 12.827 -5.514 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.914 -7.309 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.923 -7.035 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.501 -5.354 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.947 -6.068 1.664 1.00 0.00 H new ATOM 1535 N PHE A 95 13.088 -2.197 1.768 1.00 0.00 N ATOM 1536 CA PHE A 95 14.217 -1.286 1.749 1.00 0.00 C ATOM 1537 C PHE A 95 15.269 -1.721 2.750 1.00 0.00 C ATOM 1538 O PHE A 95 15.023 -1.755 3.959 1.00 0.00 O ATOM 1539 CB PHE A 95 13.752 0.142 2.039 1.00 0.00 C ATOM 1540 CG PHE A 95 14.745 1.194 1.632 1.00 0.00 C ATOM 1541 CD1 PHE A 95 14.881 1.555 0.302 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.539 1.821 2.573 1.00 0.00 C ATOM 1543 CE1 PHE A 95 15.788 2.520 -0.081 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.450 2.787 2.194 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.574 3.137 0.868 1.00 0.00 C ATOM 0 H PHE A 95 12.280 -1.857 2.290 1.00 0.00 H new ATOM 0 HA PHE A 95 14.664 -1.308 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.812 0.321 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.549 0.239 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.268 1.074 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.446 1.553 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 95 15.882 2.792 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.066 3.269 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.286 3.894 0.572 1.00 0.00 H new ATOM 1555 N GLN A 96 16.438 -2.062 2.236 1.00 0.00 N ATOM 1556 CA GLN A 96 17.521 -2.545 3.069 1.00 0.00 C ATOM 1557 C GLN A 96 18.523 -1.450 3.377 1.00 0.00 C ATOM 1558 O GLN A 96 18.747 -0.545 2.576 1.00 0.00 O ATOM 1559 CB GLN A 96 18.250 -3.711 2.400 1.00 0.00 C ATOM 1560 CG GLN A 96 17.509 -5.032 2.476 1.00 0.00 C ATOM 1561 CD GLN A 96 18.388 -6.201 2.082 1.00 0.00 C ATOM 1562 OE1 GLN A 96 19.285 -6.072 1.249 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.155 -7.349 2.698 1.00 0.00 N ATOM 0 H GLN A 96 16.660 -2.012 1.242 1.00 0.00 H new ATOM 0 HA GLN A 96 17.071 -2.883 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.423 -3.464 1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.228 -3.829 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.140 -5.182 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.638 -4.997 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.402 -7.417 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.728 -8.166 2.488 1.00 0.00 H new ATOM 1659 N ILE A 103 16.330 -4.717 7.006 1.00 0.00 N ATOM 1660 CA ILE A 103 15.222 -4.027 6.382 1.00 0.00 C ATOM 1661 C ILE A 103 14.687 -2.964 7.310 1.00 0.00 C ATOM 1662 O ILE A 103 14.315 -3.240 8.451 1.00 0.00 O ATOM 1663 CB ILE A 103 14.095 -4.983 5.971 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.592 -5.887 4.857 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.857 -4.210 5.526 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.571 -6.888 4.399 1.00 0.00 C ATOM 0 HA ILE A 103 15.601 -3.564 5.471 1.00 0.00 H new ATOM 0 HB ILE A 103 13.810 -5.590 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.893 -5.273 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.481 -6.417 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.073 -4.912 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.503 -3.586 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.109 -3.580 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.994 -7.500 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.287 -7.527 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.690 -6.365 4.026 1.00 0.00 H new ATOM 1678 N GLU A 104 14.672 -1.751 6.809 1.00 0.00 N ATOM 1679 CA GLU A 104 14.293 -0.605 7.597 1.00 0.00 C ATOM 1680 C GLU A 104 12.785 -0.451 7.593 1.00 0.00 C ATOM 1681 O GLU A 104 12.165 -0.162 8.618 1.00 0.00 O ATOM 1682 CB GLU A 104 14.961 0.634 7.028 1.00 0.00 C ATOM 1683 CG GLU A 104 16.246 0.301 6.314 1.00 0.00 C ATOM 1684 CD GLU A 104 17.124 1.513 6.088 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.832 2.318 5.188 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.109 1.678 6.837 1.00 0.00 O ATOM 0 H GLU A 104 14.922 -1.532 5.845 1.00 0.00 H new ATOM 0 HA GLU A 104 14.619 -0.742 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.279 1.129 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.165 1.339 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.798 -0.438 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.014 -0.158 5.353 1.00 0.00 H new ATOM 1693 N TYR A 105 12.215 -0.667 6.419 1.00 0.00 N ATOM 1694 CA TYR A 105 10.784 -0.552 6.203 1.00 0.00 C ATOM 1695 C TYR A 105 10.443 -1.058 4.810 1.00 0.00 C ATOM 1696 O TYR A 105 11.327 -1.450 4.045 1.00 0.00 O ATOM 1697 CB TYR A 105 10.317 0.905 6.369 1.00 0.00 C ATOM 1698 CG TYR A 105 11.168 1.931 5.642 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.051 2.129 4.272 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.089 2.703 6.338 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.831 3.066 3.618 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.868 3.640 5.693 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.737 3.819 4.336 1.00 0.00 C ATOM 1704 OH TYR A 105 13.517 4.750 3.692 1.00 0.00 O ATOM 0 H TYR A 105 12.737 -0.929 5.583 1.00 0.00 H new ATOM 0 HA TYR A 105 10.266 -1.156 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.290 0.986 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.305 1.150 7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.340 1.542 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.197 2.567 7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.731 3.207 2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.579 4.231 6.252 1.00 0.00 H new ATOM 0 HH TYR A 105 14.100 5.194 4.342 1.00 0.00 H new ATOM 1714 N ILE A 106 9.168 -1.044 4.486 1.00 0.00 N ATOM 1715 CA ILE A 106 8.702 -1.499 3.194 1.00 0.00 C ATOM 1716 C ILE A 106 8.325 -0.298 2.333 1.00 0.00 C ATOM 1717 O ILE A 106 7.777 0.684 2.832 1.00 0.00 O ATOM 1718 CB ILE A 106 7.478 -2.434 3.341 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.770 -3.547 4.354 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.097 -3.037 1.994 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.592 -4.463 4.613 1.00 0.00 C ATOM 0 H ILE A 106 8.428 -0.718 5.108 1.00 0.00 H new ATOM 0 HA ILE A 106 9.507 -2.059 2.718 1.00 0.00 H new ATOM 0 HB ILE A 106 6.639 -1.841 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.609 -4.142 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.081 -3.095 5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.234 -3.691 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.848 -2.238 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.936 -3.613 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.876 -5.224 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.758 -3.881 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.294 -4.944 3.682 1.00 0.00 H new ATOM 1733 N ILE A 107 8.598 -0.384 1.048 1.00 0.00 N ATOM 1734 CA ILE A 107 8.256 0.673 0.119 1.00 0.00 C ATOM 1735 C ILE A 107 7.283 0.110 -0.895 1.00 0.00 C ATOM 1736 O ILE A 107 7.642 -0.743 -1.704 1.00 0.00 O ATOM 1737 CB ILE A 107 9.491 1.245 -0.614 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.460 1.877 0.387 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.065 2.267 -1.663 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.672 2.514 -0.258 1.00 0.00 C ATOM 0 H ILE A 107 9.061 -1.185 0.619 1.00 0.00 H new ATOM 0 HA ILE A 107 7.815 1.495 0.683 1.00 0.00 H new ATOM 0 HB ILE A 107 10.002 0.426 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.929 2.632 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.793 1.113 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.948 2.659 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.411 1.789 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.531 3.085 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.313 2.941 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.227 1.759 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.350 3.302 -0.939 1.00 0.00 H new ATOM 1752 N CYS A 108 6.046 0.547 -0.824 1.00 0.00 N ATOM 1753 CA CYS A 108 5.013 -0.019 -1.665 1.00 0.00 C ATOM 1754 C CYS A 108 4.501 0.974 -2.694 1.00 0.00 C ATOM 1755 O CYS A 108 3.930 2.011 -2.349 1.00 0.00 O ATOM 1756 CB CYS A 108 3.860 -0.531 -0.805 1.00 0.00 C ATOM 1757 SG CYS A 108 4.247 -2.043 0.108 1.00 0.00 S ATOM 0 H CYS A 108 5.731 1.288 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 108 5.457 -0.851 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.574 0.247 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.996 -0.714 -1.444 1.00 0.00 H new ATOM 0 HG CYS A 108 4.155 -1.815 1.384 1.00 0.00 H new ATOM 1763 N THR A 109 4.736 0.657 -3.956 1.00 0.00 N ATOM 1764 CA THR A 109 4.108 1.366 -5.050 1.00 0.00 C ATOM 1765 C THR A 109 2.740 0.743 -5.298 1.00 0.00 C ATOM 1766 O THR A 109 2.611 -0.476 -5.342 1.00 0.00 O ATOM 1767 CB THR A 109 4.958 1.290 -6.335 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.292 1.734 -6.064 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.356 2.144 -7.442 1.00 0.00 C ATOM 0 H THR A 109 5.363 -0.093 -4.246 1.00 0.00 H new ATOM 0 HA THR A 109 4.011 2.419 -4.784 1.00 0.00 H new ATOM 0 HB THR A 109 4.975 0.252 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.827 1.682 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.976 2.071 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.350 1.790 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.310 3.183 -7.116 1.00 0.00 H new ATOM 1777 N ASN A 110 1.728 1.567 -5.454 1.00 0.00 N ATOM 1778 CA ASN A 110 0.362 1.074 -5.522 1.00 0.00 C ATOM 1779 C ASN A 110 -0.222 1.355 -6.890 1.00 0.00 C ATOM 1780 O ASN A 110 -0.449 2.508 -7.252 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.496 1.715 -4.431 1.00 0.00 C ATOM 1782 CG ASN A 110 0.001 1.383 -3.035 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.406 0.387 -2.437 1.00 0.00 O ATOM 1784 ND2 ASN A 110 0.885 2.217 -2.509 1.00 0.00 N ATOM 0 H ASN A 110 1.820 2.580 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 110 0.370 -0.004 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.500 2.797 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.527 1.376 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.255 2.045 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.196 3.031 -3.039 1.00 0.00 H new ATOM 1791 N THR A 111 -0.444 0.296 -7.647 1.00 0.00 N ATOM 1792 CA THR A 111 -0.993 0.399 -8.975 1.00 0.00 C ATOM 1793 C THR A 111 -2.420 -0.114 -8.970 1.00 0.00 C ATOM 1794 O THR A 111 -2.666 -1.317 -8.851 1.00 0.00 O ATOM 1795 CB THR A 111 -0.160 -0.414 -9.988 1.00 0.00 C ATOM 1796 OG1 THR A 111 1.218 -0.023 -9.920 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.675 -0.213 -11.403 1.00 0.00 C ATOM 0 H THR A 111 -0.246 -0.660 -7.352 1.00 0.00 H new ATOM 0 HA THR A 111 -0.970 1.447 -9.275 1.00 0.00 H new ATOM 0 HB THR A 111 -0.253 -1.469 -9.730 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.385 0.700 -10.560 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.070 -0.797 -12.097 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.713 -0.540 -11.462 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.612 0.843 -11.667 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.355 0.797 -9.088 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.757 0.446 -9.081 1.00 0.00 C ATOM 1807 C ASN A 112 -5.130 -0.079 -10.459 1.00 0.00 C ATOM 1808 O ASN A 112 -5.022 0.637 -11.455 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.587 1.671 -8.712 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.073 1.504 -8.974 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.586 1.888 -10.024 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.777 0.915 -8.023 1.00 0.00 N ATOM 0 H ASN A 112 -3.170 1.795 -9.191 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.957 -0.329 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.436 1.896 -7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.222 2.529 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.778 0.766 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.319 0.609 -7.165 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.539 -1.334 -10.521 1.00 0.00 N ATOM 1820 CA VAL A 113 -5.765 -1.987 -11.798 1.00 0.00 C ATOM 1821 C VAL A 113 -7.220 -1.849 -12.231 1.00 0.00 C ATOM 1822 O VAL A 113 -7.607 -0.835 -12.809 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.371 -3.485 -11.751 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.472 -4.121 -13.131 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -3.969 -3.653 -11.183 1.00 0.00 C ATOM 0 H VAL A 113 -5.721 -1.919 -9.706 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.129 -1.489 -12.529 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.073 -3.997 -11.093 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.190 -5.172 -13.069 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.497 -4.041 -13.494 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.802 -3.606 -13.819 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.711 -4.712 -11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.256 -3.120 -11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.935 -3.248 -10.172 1.00 0.00 H new