USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 783 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 22 TYR OH : rot -17:sc= -2.34! USER MOD Set 1.2: A 80 HIS : no HD1:sc= 0.421 K(o=-1.9,f=-3.2) USER MOD Set 2.1: A 48 THR OG1 : rot 60:sc= 1.1 USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= 0.714 F(o=1.1,f=1.8) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.8!) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -1.12 (180deg=-2.66!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.175 F(o=-1.6!,f=-0.17) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00471 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0515) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 0.851 (180deg=-0.252) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc=-0.00412 (180deg=-0.113) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 5:sc= 0.887 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= -0.0045 (180deg=-0.124) USER MOD Single : A 71 SER OG : rot 21:sc= 0.808 USER MOD Single : A 74 THR OG1 : rot 160:sc= -2.22! USER MOD Single : A 77 MET CE :methyl -117:sc= -1.06 (180deg=-1.28) USER MOD Single : A 78 SER OG : rot 62:sc= 0.858 USER MOD Single : A 81 MET CE :methyl 161:sc= -0.381 (180deg=-1.43) USER MOD Single : A 84 MET CE :methyl -169:sc= -2.63! (180deg=-3.14) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc=-0.00393 (180deg=-0.1) USER MOD Single : A 95 SER OG : rot -21:sc= 0.337 USER MOD Single : A 96 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -110:sc= -0.833 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.798 3.363 13.725 1.00 0.00 N ATOM 84 CA PRO A 7 3.154 2.972 13.372 1.00 0.00 C ATOM 85 C PRO A 7 3.224 2.442 11.947 1.00 0.00 C ATOM 86 O PRO A 7 3.777 1.374 11.693 1.00 0.00 O ATOM 87 CB PRO A 7 3.482 1.860 14.382 1.00 0.00 C ATOM 88 CG PRO A 7 2.208 1.578 15.121 1.00 0.00 C ATOM 89 CD PRO A 7 1.100 2.250 14.358 1.00 0.00 C ATOM 0 HA PRO A 7 3.854 3.807 13.410 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.843 0.966 13.873 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.268 2.176 15.068 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.032 0.505 15.191 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.261 1.960 16.141 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.647 1.583 13.625 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.300 2.591 15.016 1.00 0.00 H new ATOM 97 N GLY A 8 2.648 3.200 11.023 1.00 0.00 N ATOM 98 CA GLY A 8 2.603 2.783 9.637 1.00 0.00 C ATOM 99 C GLY A 8 3.933 2.954 8.943 1.00 0.00 C ATOM 100 O GLY A 8 4.237 2.246 7.987 1.00 0.00 O ATOM 0 H GLY A 8 2.209 4.101 11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.300 1.737 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.844 3.362 9.110 1.00 0.00 H new ATOM 104 N ALA A 9 4.717 3.908 9.441 1.00 0.00 N ATOM 105 CA ALA A 9 6.021 4.245 8.884 1.00 0.00 C ATOM 106 C ALA A 9 6.610 5.423 9.650 1.00 0.00 C ATOM 107 O ALA A 9 6.606 5.420 10.878 1.00 0.00 O ATOM 108 CB ALA A 9 5.927 4.560 7.396 1.00 0.00 C ATOM 0 H ALA A 9 4.460 4.473 10.250 1.00 0.00 H new ATOM 0 HA ALA A 9 6.678 3.382 8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.917 4.807 7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.539 3.692 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.258 5.407 7.245 1.00 0.00 H new ATOM 114 N ASP A 10 7.076 6.446 8.938 1.00 0.00 N ATOM 115 CA ASP A 10 7.687 7.597 9.594 1.00 0.00 C ATOM 116 C ASP A 10 7.147 8.916 9.046 1.00 0.00 C ATOM 117 O ASP A 10 6.765 9.797 9.810 1.00 0.00 O ATOM 118 CB ASP A 10 9.206 7.558 9.437 1.00 0.00 C ATOM 119 CG ASP A 10 9.887 8.693 10.172 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.060 8.593 11.403 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.250 9.697 9.528 1.00 0.00 O ATOM 0 H ASP A 10 7.043 6.501 7.920 1.00 0.00 H new ATOM 0 HA ASP A 10 7.429 7.540 10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.584 6.607 9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.461 7.608 8.379 1.00 0.00 H new ATOM 126 N CYS A 11 7.086 9.038 7.721 1.00 0.00 N ATOM 127 CA CYS A 11 6.722 10.303 7.075 1.00 0.00 C ATOM 128 C CYS A 11 5.214 10.578 7.110 1.00 0.00 C ATOM 129 O CYS A 11 4.712 11.350 6.290 1.00 0.00 O ATOM 130 CB CYS A 11 7.174 10.314 5.617 1.00 0.00 C ATOM 131 SG CYS A 11 8.930 9.928 5.325 1.00 0.00 S ATOM 0 H CYS A 11 7.284 8.277 7.071 1.00 0.00 H new ATOM 0 HA CYS A 11 7.229 11.083 7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.568 9.597 5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.964 11.299 5.199 1.00 0.00 H new ATOM 136 N GLU A 12 4.500 9.941 8.038 1.00 0.00 N ATOM 137 CA GLU A 12 3.069 10.195 8.254 1.00 0.00 C ATOM 138 C GLU A 12 2.182 9.652 7.125 1.00 0.00 C ATOM 139 O GLU A 12 1.426 8.712 7.334 1.00 0.00 O ATOM 140 CB GLU A 12 2.822 11.699 8.445 1.00 0.00 C ATOM 141 CG GLU A 12 1.357 12.093 8.534 1.00 0.00 C ATOM 142 CD GLU A 12 1.172 13.594 8.618 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.088 14.254 7.560 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.124 14.124 9.744 1.00 0.00 O ATOM 0 H GLU A 12 4.893 9.236 8.661 1.00 0.00 H new ATOM 0 HA GLU A 12 2.788 9.655 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.328 12.024 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.280 12.237 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.826 11.712 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.909 11.624 9.410 1.00 0.00 H new ATOM 151 N VAL A 13 2.285 10.234 5.937 1.00 0.00 N ATOM 152 CA VAL A 13 1.349 9.933 4.851 1.00 0.00 C ATOM 153 C VAL A 13 1.427 8.475 4.410 1.00 0.00 C ATOM 154 O VAL A 13 0.419 7.765 4.416 1.00 0.00 O ATOM 155 CB VAL A 13 1.581 10.856 3.640 1.00 0.00 C ATOM 156 CG1 VAL A 13 0.543 10.605 2.553 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.548 12.307 4.083 1.00 0.00 C ATOM 0 H VAL A 13 3.004 10.916 5.697 1.00 0.00 H new ATOM 0 HA VAL A 13 0.350 10.113 5.248 1.00 0.00 H new ATOM 0 HB VAL A 13 2.562 10.635 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.731 11.270 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.608 9.569 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.454 10.796 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.713 12.954 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.577 12.531 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.331 12.480 4.822 1.00 0.00 H new ATOM 167 N CYS A 14 2.619 8.020 4.035 1.00 0.00 N ATOM 168 CA CYS A 14 2.795 6.623 3.649 1.00 0.00 C ATOM 169 C CYS A 14 2.522 5.734 4.849 1.00 0.00 C ATOM 170 O CYS A 14 2.030 4.619 4.715 1.00 0.00 O ATOM 171 CB CYS A 14 4.206 6.365 3.118 1.00 0.00 C ATOM 172 SG CYS A 14 5.508 6.457 4.392 1.00 0.00 S ATOM 0 H CYS A 14 3.465 8.588 3.990 1.00 0.00 H new ATOM 0 HA CYS A 14 2.091 6.394 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.234 5.378 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.427 7.091 2.335 1.00 0.00 H new ATOM 177 N LYS A 15 2.824 6.269 6.023 1.00 0.00 N ATOM 178 CA LYS A 15 2.604 5.573 7.276 1.00 0.00 C ATOM 179 C LYS A 15 1.130 5.218 7.438 1.00 0.00 C ATOM 180 O LYS A 15 0.778 4.059 7.662 1.00 0.00 O ATOM 181 CB LYS A 15 3.090 6.464 8.437 1.00 0.00 C ATOM 182 CG LYS A 15 2.270 6.344 9.712 1.00 0.00 C ATOM 183 CD LYS A 15 2.576 7.465 10.694 1.00 0.00 C ATOM 184 CE LYS A 15 3.996 7.391 11.226 1.00 0.00 C ATOM 185 NZ LYS A 15 4.232 8.384 12.309 1.00 0.00 N ATOM 0 H LYS A 15 3.229 7.199 6.131 1.00 0.00 H new ATOM 0 HA LYS A 15 3.169 4.641 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.126 6.212 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.078 7.504 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.209 6.359 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.473 5.383 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.423 8.427 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.875 7.417 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.191 6.387 11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.699 7.567 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.212 8.303 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.071 9.343 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.578 8.200 13.097 1.00 0.00 H new ATOM 199 N GLU A 16 0.288 6.233 7.318 1.00 0.00 N ATOM 200 CA GLU A 16 -1.153 6.068 7.361 1.00 0.00 C ATOM 201 C GLU A 16 -1.593 4.963 6.421 1.00 0.00 C ATOM 202 O GLU A 16 -2.252 4.009 6.835 1.00 0.00 O ATOM 203 CB GLU A 16 -1.830 7.376 6.962 1.00 0.00 C ATOM 204 CG GLU A 16 -1.792 8.438 8.042 1.00 0.00 C ATOM 205 CD GLU A 16 -2.748 8.133 9.170 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.966 8.013 8.898 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.294 8.007 10.327 1.00 0.00 O ATOM 0 H GLU A 16 0.589 7.199 7.187 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.442 5.798 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.348 7.765 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.869 7.172 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.779 8.517 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.041 9.406 7.607 1.00 0.00 H new ATOM 214 N PHE A 17 -1.198 5.089 5.162 1.00 0.00 N ATOM 215 CA PHE A 17 -1.595 4.137 4.141 1.00 0.00 C ATOM 216 C PHE A 17 -1.151 2.723 4.506 1.00 0.00 C ATOM 217 O PHE A 17 -1.978 1.823 4.574 1.00 0.00 O ATOM 218 CB PHE A 17 -1.014 4.535 2.782 1.00 0.00 C ATOM 219 CG PHE A 17 -1.569 3.741 1.628 1.00 0.00 C ATOM 220 CD1 PHE A 17 -1.114 2.459 1.365 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.550 4.279 0.809 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.624 1.729 0.312 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.065 3.552 -0.249 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.599 2.275 -0.496 1.00 0.00 C ATOM 0 H PHE A 17 -0.601 5.844 4.825 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.683 4.149 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.209 5.594 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.069 4.411 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.350 2.026 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.916 5.277 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.260 0.730 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.829 3.981 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.998 1.705 -1.322 1.00 0.00 H new ATOM 234 N LEU A 18 0.142 2.545 4.776 1.00 0.00 N ATOM 235 CA LEU A 18 0.715 1.215 4.961 1.00 0.00 C ATOM 236 C LEU A 18 0.025 0.439 6.077 1.00 0.00 C ATOM 237 O LEU A 18 -0.445 -0.677 5.860 1.00 0.00 O ATOM 238 CB LEU A 18 2.215 1.307 5.260 1.00 0.00 C ATOM 239 CG LEU A 18 3.080 1.940 4.168 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.521 2.028 4.633 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.996 1.151 2.874 1.00 0.00 C ATOM 0 H LEU A 18 0.812 3.308 4.871 1.00 0.00 H new ATOM 0 HA LEU A 18 0.559 0.676 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.348 1.879 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.589 0.302 5.454 1.00 0.00 H new ATOM 0 HG LEU A 18 2.702 2.944 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.129 2.480 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.576 2.640 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.895 1.028 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.621 1.625 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.344 0.132 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.963 1.128 2.528 1.00 0.00 H new ATOM 253 N ASN A 19 -0.051 1.027 7.265 1.00 0.00 N ATOM 254 CA ASN A 19 -0.575 0.306 8.420 1.00 0.00 C ATOM 255 C ASN A 19 -2.078 0.087 8.287 1.00 0.00 C ATOM 256 O ASN A 19 -2.581 -1.000 8.581 1.00 0.00 O ATOM 257 CB ASN A 19 -0.271 1.050 9.719 1.00 0.00 C ATOM 258 CG ASN A 19 -0.192 0.119 10.921 1.00 0.00 C ATOM 259 OD1 ASN A 19 0.489 0.412 11.898 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.878 -1.014 10.858 1.00 0.00 N ATOM 0 H ASN A 19 0.239 1.987 7.453 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.080 -0.664 8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.673 1.584 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.043 1.799 9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.849 -1.672 11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.435 -1.228 10.031 1.00 0.00 H new ATOM 267 N ARG A 20 -2.791 1.120 7.855 1.00 0.00 N ATOM 268 CA ARG A 20 -4.225 1.017 7.617 1.00 0.00 C ATOM 269 C ARG A 20 -4.532 -0.017 6.540 1.00 0.00 C ATOM 270 O ARG A 20 -5.478 -0.795 6.673 1.00 0.00 O ATOM 271 CB ARG A 20 -4.800 2.387 7.237 1.00 0.00 C ATOM 272 CG ARG A 20 -5.001 3.315 8.428 1.00 0.00 C ATOM 273 CD ARG A 20 -5.041 4.777 8.020 1.00 0.00 C ATOM 274 NE ARG A 20 -5.972 5.030 6.926 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.946 6.130 6.180 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.108 7.117 6.477 1.00 0.00 N ATOM 277 NH2 ARG A 20 -6.782 6.260 5.165 1.00 0.00 N ATOM 0 H ARG A 20 -2.398 2.041 7.662 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.700 0.684 8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.132 2.867 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.756 2.244 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.931 3.056 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.194 3.162 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.325 5.383 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.042 5.095 7.722 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.681 4.325 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.483 7.032 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.089 7.960 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.447 5.516 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.762 7.104 4.593 1.00 0.00 H new ATOM 291 N PHE A 21 -3.723 -0.023 5.489 1.00 0.00 N ATOM 292 CA PHE A 21 -3.823 -1.016 4.426 1.00 0.00 C ATOM 293 C PHE A 21 -3.632 -2.402 5.005 1.00 0.00 C ATOM 294 O PHE A 21 -4.424 -3.319 4.778 1.00 0.00 O ATOM 295 CB PHE A 21 -2.730 -0.740 3.394 1.00 0.00 C ATOM 296 CG PHE A 21 -2.708 -1.678 2.223 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.818 -1.833 1.413 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.561 -2.396 1.931 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.785 -2.693 0.334 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.521 -3.256 0.853 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.635 -3.404 0.052 1.00 0.00 C ATOM 0 H PHE A 21 -2.979 0.660 5.349 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.805 -0.958 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.852 0.277 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.762 -0.784 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.718 -1.276 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.687 -2.282 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.659 -2.810 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.621 -3.812 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.608 -4.075 -0.794 1.00 0.00 H new ATOM 311 N TYR A 22 -2.573 -2.512 5.780 1.00 0.00 N ATOM 312 CA TYR A 22 -2.157 -3.757 6.380 1.00 0.00 C ATOM 313 C TYR A 22 -3.254 -4.359 7.256 1.00 0.00 C ATOM 314 O TYR A 22 -3.670 -5.501 7.047 1.00 0.00 O ATOM 315 CB TYR A 22 -0.904 -3.490 7.203 1.00 0.00 C ATOM 316 CG TYR A 22 -0.193 -4.740 7.663 1.00 0.00 C ATOM 317 CD1 TYR A 22 -0.653 -5.477 8.747 1.00 0.00 C ATOM 318 CD2 TYR A 22 0.939 -5.187 6.994 1.00 0.00 C ATOM 319 CE1 TYR A 22 -0.004 -6.628 9.146 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.594 -6.332 7.391 1.00 0.00 C ATOM 321 CZ TYR A 22 1.116 -7.050 8.465 1.00 0.00 C ATOM 322 OH TYR A 22 1.758 -8.195 8.857 1.00 0.00 O ATOM 0 H TYR A 22 -1.969 -1.724 6.013 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.950 -4.482 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.214 -2.889 6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.175 -2.896 8.076 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.529 -5.145 9.284 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.312 -4.628 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.373 -7.195 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.476 -6.664 6.864 1.00 0.00 H new ATOM 0 HH TYR A 22 1.477 -8.433 9.765 1.00 0.00 H new ATOM 332 N LYS A 23 -3.734 -3.585 8.225 1.00 0.00 N ATOM 333 CA LYS A 23 -4.723 -4.088 9.171 1.00 0.00 C ATOM 334 C LYS A 23 -6.050 -4.369 8.476 1.00 0.00 C ATOM 335 O LYS A 23 -6.819 -5.229 8.911 1.00 0.00 O ATOM 336 CB LYS A 23 -4.900 -3.118 10.359 1.00 0.00 C ATOM 337 CG LYS A 23 -5.402 -1.714 10.011 1.00 0.00 C ATOM 338 CD LYS A 23 -6.888 -1.710 9.665 1.00 0.00 C ATOM 339 CE LYS A 23 -7.576 -0.393 9.991 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.044 0.735 9.190 1.00 0.00 N ATOM 0 H LYS A 23 -3.457 -2.615 8.375 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.355 -5.032 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.597 -3.566 11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.942 -3.023 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.224 -1.046 10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.832 -1.323 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.008 -1.922 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.383 -2.515 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.646 -0.491 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.451 -0.173 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.795 1.439 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.250 1.177 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.713 0.382 8.270 1.00 0.00 H new ATOM 354 N SER A 24 -6.313 -3.646 7.397 1.00 0.00 N ATOM 355 CA SER A 24 -7.533 -3.842 6.640 1.00 0.00 C ATOM 356 C SER A 24 -7.481 -5.193 5.947 1.00 0.00 C ATOM 357 O SER A 24 -8.426 -5.971 6.006 1.00 0.00 O ATOM 358 CB SER A 24 -7.716 -2.721 5.614 1.00 0.00 C ATOM 359 OG SER A 24 -8.999 -2.775 5.018 1.00 0.00 O ATOM 0 H SER A 24 -5.697 -2.921 7.030 1.00 0.00 H new ATOM 0 HA SER A 24 -8.385 -3.818 7.320 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.578 -1.755 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.950 -2.802 4.843 1.00 0.00 H new ATOM 0 HG SER A 24 -9.089 -2.047 4.368 1.00 0.00 H new ATOM 365 N LEU A 25 -6.345 -5.469 5.327 1.00 0.00 N ATOM 366 CA LEU A 25 -6.128 -6.715 4.605 1.00 0.00 C ATOM 367 C LEU A 25 -6.339 -7.930 5.494 1.00 0.00 C ATOM 368 O LEU A 25 -7.111 -8.830 5.159 1.00 0.00 O ATOM 369 CB LEU A 25 -4.712 -6.728 4.039 1.00 0.00 C ATOM 370 CG LEU A 25 -4.595 -6.424 2.546 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.781 -5.600 2.055 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.291 -5.706 2.271 1.00 0.00 C ATOM 0 H LEU A 25 -5.546 -4.836 5.309 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.858 -6.769 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.114 -6.000 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.274 -7.708 4.227 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.603 -7.367 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.669 -5.400 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.704 -6.154 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.819 -4.656 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.212 -5.491 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.264 -4.772 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.457 -6.337 2.577 1.00 0.00 H new ATOM 384 N ILE A 26 -5.662 -7.947 6.628 1.00 0.00 N ATOM 385 CA ILE A 26 -5.722 -9.081 7.535 1.00 0.00 C ATOM 386 C ILE A 26 -7.140 -9.258 8.072 1.00 0.00 C ATOM 387 O ILE A 26 -7.640 -10.379 8.181 1.00 0.00 O ATOM 388 CB ILE A 26 -4.744 -8.908 8.722 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.344 -8.527 8.224 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.680 -10.181 9.556 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.724 -9.541 7.288 1.00 0.00 C ATOM 0 H ILE A 26 -5.062 -7.185 6.944 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.430 -9.967 6.971 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.117 -8.100 9.351 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.401 -7.565 7.714 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.688 -8.394 9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.987 -10.038 10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.671 -10.410 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.336 -11.007 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.736 -9.197 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.632 -10.499 7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.356 -9.658 6.408 1.00 0.00 H new ATOM 403 N ASP A 27 -7.790 -8.142 8.383 1.00 0.00 N ATOM 404 CA ASP A 27 -9.154 -8.172 8.898 1.00 0.00 C ATOM 405 C ASP A 27 -10.135 -8.613 7.821 1.00 0.00 C ATOM 406 O ASP A 27 -11.063 -9.375 8.089 1.00 0.00 O ATOM 407 CB ASP A 27 -9.553 -6.804 9.445 1.00 0.00 C ATOM 408 CG ASP A 27 -10.985 -6.778 9.931 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.265 -7.358 11.004 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.836 -6.176 9.245 1.00 0.00 O ATOM 0 H ASP A 27 -7.395 -7.206 8.288 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.188 -8.898 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.888 -6.535 10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.421 -6.051 8.668 1.00 0.00 H new ATOM 415 N ARG A 28 -9.920 -8.129 6.605 1.00 0.00 N ATOM 416 CA ARG A 28 -10.710 -8.555 5.455 1.00 0.00 C ATOM 417 C ARG A 28 -10.509 -10.045 5.209 1.00 0.00 C ATOM 418 O ARG A 28 -11.410 -10.739 4.740 1.00 0.00 O ATOM 419 CB ARG A 28 -10.326 -7.740 4.214 1.00 0.00 C ATOM 420 CG ARG A 28 -10.873 -6.320 4.241 1.00 0.00 C ATOM 421 CD ARG A 28 -10.164 -5.397 3.252 1.00 0.00 C ATOM 422 NE ARG A 28 -10.155 -5.916 1.881 1.00 0.00 N ATOM 423 CZ ARG A 28 -11.238 -6.091 1.127 1.00 0.00 C ATOM 424 NH1 ARG A 28 -12.450 -5.794 1.589 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.099 -6.547 -0.107 1.00 0.00 N ATOM 0 H ARG A 28 -9.202 -7.438 6.388 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.765 -8.378 5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.240 -7.703 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.696 -8.249 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.939 -6.341 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.771 -5.915 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.652 -4.422 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.137 -5.243 3.582 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.252 -6.161 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.560 -5.426 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.269 -5.934 0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.170 -6.760 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.921 -6.686 -0.695 1.00 0.00 H new ATOM 439 N GLY A 29 -9.317 -10.524 5.533 1.00 0.00 N ATOM 440 CA GLY A 29 -9.032 -11.939 5.462 1.00 0.00 C ATOM 441 C GLY A 29 -8.214 -12.262 4.244 1.00 0.00 C ATOM 442 O GLY A 29 -7.998 -13.425 3.907 1.00 0.00 O ATOM 0 H GLY A 29 -8.535 -9.949 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.496 -12.251 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.966 -12.501 5.437 1.00 0.00 H new ATOM 446 N VAL A 30 -7.759 -11.215 3.586 1.00 0.00 N ATOM 447 CA VAL A 30 -6.943 -11.335 2.403 1.00 0.00 C ATOM 448 C VAL A 30 -5.466 -11.389 2.803 1.00 0.00 C ATOM 449 O VAL A 30 -5.132 -11.799 3.917 1.00 0.00 O ATOM 450 CB VAL A 30 -7.190 -10.124 1.464 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.662 -9.890 1.247 1.00 0.00 C ATOM 452 CG2 VAL A 30 -6.576 -8.857 2.010 1.00 0.00 C ATOM 0 H VAL A 30 -7.949 -10.252 3.862 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.208 -12.251 1.876 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.715 -10.371 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.801 -9.035 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.108 -10.776 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.144 -9.690 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.771 -8.033 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.013 -8.631 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.500 -8.992 2.119 1.00 0.00 H new ATOM 462 N ASN A 31 -4.609 -10.988 1.878 1.00 0.00 N ATOM 463 CA ASN A 31 -3.203 -10.734 2.145 1.00 0.00 C ATOM 464 C ASN A 31 -2.376 -12.001 2.215 1.00 0.00 C ATOM 465 O ASN A 31 -2.234 -12.626 3.269 1.00 0.00 O ATOM 466 CB ASN A 31 -3.049 -9.893 3.399 1.00 0.00 C ATOM 467 CG ASN A 31 -1.624 -9.465 3.635 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.201 -8.428 2.933 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -0.898 -10.080 4.409 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.875 -10.828 0.906 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.810 -10.172 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.682 -9.009 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.401 -10.462 4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.266 -10.875 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.074 -9.796 4.531 1.00 0.00 H new ATOM 476 N PHE A 32 -1.849 -12.348 1.049 1.00 0.00 N ATOM 477 CA PHE A 32 -0.942 -13.467 0.853 1.00 0.00 C ATOM 478 C PHE A 32 -0.845 -13.726 -0.640 1.00 0.00 C ATOM 479 O PHE A 32 0.181 -14.175 -1.148 1.00 0.00 O ATOM 480 CB PHE A 32 -1.409 -14.739 1.570 1.00 0.00 C ATOM 481 CG PHE A 32 -0.352 -15.802 1.612 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.910 -15.515 2.108 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.610 -17.079 1.146 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.893 -16.481 2.142 1.00 0.00 C ATOM 485 CE2 PHE A 32 0.371 -18.050 1.176 1.00 0.00 C ATOM 486 CZ PHE A 32 1.624 -17.751 1.673 1.00 0.00 C ATOM 0 H PHE A 32 -2.048 -11.841 0.187 1.00 0.00 H new ATOM 0 HA PHE A 32 0.027 -13.209 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.707 -14.488 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.293 -15.131 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.126 -14.522 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.588 -17.318 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.871 -16.245 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.158 -19.044 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.392 -18.510 1.695 1.00 0.00 H new ATOM 496 N SER A 33 -1.935 -13.427 -1.336 1.00 0.00 N ATOM 497 CA SER A 33 -1.968 -13.532 -2.786 1.00 0.00 C ATOM 498 C SER A 33 -1.489 -12.224 -3.407 1.00 0.00 C ATOM 499 O SER A 33 -2.109 -11.173 -3.227 1.00 0.00 O ATOM 500 CB SER A 33 -3.389 -13.851 -3.242 1.00 0.00 C ATOM 501 OG SER A 33 -3.920 -14.947 -2.511 1.00 0.00 O ATOM 0 H SER A 33 -2.809 -13.109 -0.917 1.00 0.00 H new ATOM 0 HA SER A 33 -1.306 -14.335 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.024 -12.976 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.390 -14.084 -4.307 1.00 0.00 H new ATOM 0 HG SER A 33 -4.832 -15.134 -2.818 1.00 0.00 H new ATOM 507 N LEU A 34 -0.382 -12.304 -4.139 1.00 0.00 N ATOM 508 CA LEU A 34 0.293 -11.125 -4.673 1.00 0.00 C ATOM 509 C LEU A 34 -0.571 -10.367 -5.671 1.00 0.00 C ATOM 510 O LEU A 34 -0.608 -9.136 -5.653 1.00 0.00 O ATOM 511 CB LEU A 34 1.621 -11.518 -5.327 1.00 0.00 C ATOM 512 CG LEU A 34 2.798 -11.704 -4.363 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.994 -10.457 -3.532 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.603 -12.910 -3.459 1.00 0.00 C ATOM 0 H LEU A 34 0.072 -13.186 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 34 0.484 -10.460 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.474 -12.447 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.888 -10.753 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 34 3.690 -11.882 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.833 -10.602 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.201 -9.611 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.090 -10.257 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.459 -13.006 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.696 -12.780 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.514 -13.810 -4.067 1.00 0.00 H new ATOM 526 N ASP A 35 -1.273 -11.095 -6.529 1.00 0.00 N ATOM 527 CA ASP A 35 -2.130 -10.467 -7.530 1.00 0.00 C ATOM 528 C ASP A 35 -3.305 -9.777 -6.861 1.00 0.00 C ATOM 529 O ASP A 35 -3.865 -8.815 -7.390 1.00 0.00 O ATOM 530 CB ASP A 35 -2.638 -11.491 -8.547 1.00 0.00 C ATOM 531 CG ASP A 35 -1.523 -12.099 -9.371 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.061 -11.446 -10.335 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.103 -13.232 -9.061 1.00 0.00 O ATOM 0 H ASP A 35 -1.268 -12.115 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.533 -9.725 -8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.171 -12.284 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.356 -11.011 -9.212 1.00 0.00 H new ATOM 538 N THR A 36 -3.665 -10.264 -5.686 1.00 0.00 N ATOM 539 CA THR A 36 -4.752 -9.686 -4.924 1.00 0.00 C ATOM 540 C THR A 36 -4.298 -8.426 -4.203 1.00 0.00 C ATOM 541 O THR A 36 -4.995 -7.417 -4.228 1.00 0.00 O ATOM 542 CB THR A 36 -5.319 -10.702 -3.914 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.764 -11.874 -4.610 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.470 -10.110 -3.116 1.00 0.00 C ATOM 0 H THR A 36 -3.216 -11.063 -5.239 1.00 0.00 H new ATOM 0 HA THR A 36 -5.543 -9.419 -5.625 1.00 0.00 H new ATOM 0 HB THR A 36 -4.525 -10.965 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.123 -12.520 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.846 -10.854 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.120 -9.236 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.270 -9.815 -3.795 1.00 0.00 H new ATOM 552 N ILE A 37 -3.118 -8.475 -3.591 1.00 0.00 N ATOM 553 CA ILE A 37 -2.569 -7.303 -2.914 1.00 0.00 C ATOM 554 C ILE A 37 -2.429 -6.157 -3.909 1.00 0.00 C ATOM 555 O ILE A 37 -2.565 -4.987 -3.551 1.00 0.00 O ATOM 556 CB ILE A 37 -1.199 -7.603 -2.261 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.315 -8.796 -1.313 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.679 -6.383 -1.509 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.354 -8.605 -0.230 1.00 0.00 C ATOM 0 H ILE A 37 -2.528 -9.306 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.259 -7.023 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.490 -7.847 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.563 -9.687 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.346 -8.977 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.285 -6.617 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.562 -5.550 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.388 -6.108 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.383 -9.489 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.096 -7.733 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.332 -8.454 -0.687 1.00 0.00 H new ATOM 571 N GLU A 38 -2.180 -6.517 -5.164 1.00 0.00 N ATOM 572 CA GLU A 38 -2.136 -5.553 -6.250 1.00 0.00 C ATOM 573 C GLU A 38 -3.454 -4.787 -6.341 1.00 0.00 C ATOM 574 O GLU A 38 -3.470 -3.557 -6.411 1.00 0.00 O ATOM 575 CB GLU A 38 -1.856 -6.268 -7.573 1.00 0.00 C ATOM 576 CG GLU A 38 -1.744 -5.337 -8.769 1.00 0.00 C ATOM 577 CD GLU A 38 -1.746 -6.090 -10.082 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.679 -6.592 -10.488 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.818 -6.185 -10.717 1.00 0.00 O ATOM 0 H GLU A 38 -2.005 -7.480 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.334 -4.842 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.929 -6.834 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.652 -6.988 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.574 -4.630 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.827 -4.753 -8.688 1.00 0.00 H new ATOM 586 N LYS A 39 -4.556 -5.522 -6.308 1.00 0.00 N ATOM 587 CA LYS A 39 -5.879 -4.924 -6.419 1.00 0.00 C ATOM 588 C LYS A 39 -6.287 -4.260 -5.111 1.00 0.00 C ATOM 589 O LYS A 39 -6.940 -3.221 -5.114 1.00 0.00 O ATOM 590 CB LYS A 39 -6.909 -5.978 -6.828 1.00 0.00 C ATOM 591 CG LYS A 39 -6.708 -6.505 -8.240 1.00 0.00 C ATOM 592 CD LYS A 39 -6.797 -5.387 -9.271 1.00 0.00 C ATOM 593 CE LYS A 39 -8.175 -4.743 -9.293 1.00 0.00 C ATOM 594 NZ LYS A 39 -9.215 -5.665 -9.819 1.00 0.00 N ATOM 0 H LYS A 39 -4.560 -6.537 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.841 -4.156 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.862 -6.812 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.908 -5.549 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.736 -6.992 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.461 -7.263 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.046 -4.629 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.567 -5.785 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.445 -4.431 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.144 -3.843 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.116 -5.155 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.922 -6.023 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.335 -6.463 -9.163 1.00 0.00 H new ATOM 608 N GLU A 40 -5.884 -4.854 -3.997 1.00 0.00 N ATOM 609 CA GLU A 40 -6.178 -4.294 -2.682 1.00 0.00 C ATOM 610 C GLU A 40 -5.527 -2.924 -2.533 1.00 0.00 C ATOM 611 O GLU A 40 -6.132 -2.000 -1.993 1.00 0.00 O ATOM 612 CB GLU A 40 -5.698 -5.229 -1.566 1.00 0.00 C ATOM 613 CG GLU A 40 -6.367 -6.598 -1.562 1.00 0.00 C ATOM 614 CD GLU A 40 -7.862 -6.537 -1.305 1.00 0.00 C ATOM 615 OE1 GLU A 40 -8.267 -6.424 -0.129 1.00 0.00 O ATOM 616 OE2 GLU A 40 -8.643 -6.624 -2.278 1.00 0.00 O ATOM 0 H GLU A 40 -5.352 -5.724 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.259 -4.185 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.621 -5.365 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.876 -4.748 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.190 -7.083 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.900 -7.220 -0.799 1.00 0.00 H new ATOM 623 N LEU A 41 -4.296 -2.794 -3.024 1.00 0.00 N ATOM 624 CA LEU A 41 -3.616 -1.501 -3.057 1.00 0.00 C ATOM 625 C LEU A 41 -4.426 -0.502 -3.869 1.00 0.00 C ATOM 626 O LEU A 41 -4.456 0.689 -3.568 1.00 0.00 O ATOM 627 CB LEU A 41 -2.212 -1.645 -3.654 1.00 0.00 C ATOM 628 CG LEU A 41 -1.126 -2.093 -2.675 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.136 -2.495 -3.417 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.816 -0.980 -1.687 1.00 0.00 C ATOM 0 H LEU A 41 -3.750 -3.567 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.523 -1.135 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.256 -2.362 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.918 -0.687 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.497 -2.960 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.895 -2.810 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.087 -3.319 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.508 -1.645 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.041 -1.312 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.467 -0.100 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.717 -0.728 -1.128 1.00 0.00 H new ATOM 642 N ILE A 42 -5.103 -1.011 -4.887 1.00 0.00 N ATOM 643 CA ILE A 42 -5.941 -0.190 -5.743 1.00 0.00 C ATOM 644 C ILE A 42 -7.235 0.189 -5.027 1.00 0.00 C ATOM 645 O ILE A 42 -7.633 1.353 -5.017 1.00 0.00 O ATOM 646 CB ILE A 42 -6.263 -0.927 -7.060 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.976 -1.187 -7.849 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.252 -0.135 -7.892 1.00 0.00 C ATOM 649 CD1 ILE A 42 -5.189 -1.959 -9.134 1.00 0.00 C ATOM 0 H ILE A 42 -5.087 -1.999 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.391 0.721 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.721 -1.886 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.507 -0.232 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.279 -1.738 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.464 -0.674 -8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.176 -0.001 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.828 0.841 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.232 -2.103 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.629 -2.930 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.860 -1.401 -9.787 1.00 0.00 H new ATOM 661 N SER A 43 -7.866 -0.799 -4.411 1.00 0.00 N ATOM 662 CA SER A 43 -9.100 -0.584 -3.670 1.00 0.00 C ATOM 663 C SER A 43 -8.861 0.377 -2.507 1.00 0.00 C ATOM 664 O SER A 43 -9.604 1.339 -2.318 1.00 0.00 O ATOM 665 CB SER A 43 -9.643 -1.922 -3.156 1.00 0.00 C ATOM 666 OG SER A 43 -10.892 -1.761 -2.505 1.00 0.00 O ATOM 0 H SER A 43 -7.540 -1.766 -4.410 1.00 0.00 H new ATOM 0 HA SER A 43 -9.838 -0.139 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.753 -2.615 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.926 -2.365 -2.465 1.00 0.00 H new ATOM 0 HG SER A 43 -11.212 -2.632 -2.190 1.00 0.00 H new ATOM 672 N PHE A 44 -7.801 0.129 -1.747 1.00 0.00 N ATOM 673 CA PHE A 44 -7.487 0.955 -0.591 1.00 0.00 C ATOM 674 C PHE A 44 -7.060 2.351 -1.036 1.00 0.00 C ATOM 675 O PHE A 44 -7.244 3.325 -0.310 1.00 0.00 O ATOM 676 CB PHE A 44 -6.392 0.303 0.255 1.00 0.00 C ATOM 677 CG PHE A 44 -6.293 0.879 1.636 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.176 0.479 2.626 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.328 1.823 1.942 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.098 1.011 3.896 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.245 2.358 3.212 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.132 1.952 4.188 1.00 0.00 C ATOM 0 H PHE A 44 -7.147 -0.636 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.384 1.046 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.586 -0.767 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.433 0.420 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.933 -0.257 2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.633 2.144 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.791 0.692 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.487 3.093 3.441 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.070 2.371 5.181 1.00 0.00 H new ATOM 692 N CYS A 45 -6.498 2.440 -2.237 1.00 0.00 N ATOM 693 CA CYS A 45 -6.152 3.727 -2.828 1.00 0.00 C ATOM 694 C CYS A 45 -7.398 4.586 -3.010 1.00 0.00 C ATOM 695 O CYS A 45 -7.330 5.810 -2.988 1.00 0.00 O ATOM 696 CB CYS A 45 -5.463 3.533 -4.177 1.00 0.00 C ATOM 697 SG CYS A 45 -5.212 5.078 -5.107 1.00 0.00 S ATOM 0 H CYS A 45 -6.272 1.635 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.466 4.234 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.496 3.057 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.057 2.849 -4.782 1.00 0.00 H new ATOM 702 N LEU A 46 -8.534 3.939 -3.202 1.00 0.00 N ATOM 703 CA LEU A 46 -9.791 4.648 -3.322 1.00 0.00 C ATOM 704 C LEU A 46 -10.376 4.895 -1.933 1.00 0.00 C ATOM 705 O LEU A 46 -10.862 5.988 -1.638 1.00 0.00 O ATOM 706 CB LEU A 46 -10.753 3.853 -4.216 1.00 0.00 C ATOM 707 CG LEU A 46 -12.023 4.582 -4.684 1.00 0.00 C ATOM 708 CD1 LEU A 46 -13.059 4.674 -3.573 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.673 5.968 -5.201 1.00 0.00 C ATOM 0 H LEU A 46 -8.610 2.925 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.629 5.618 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.204 3.525 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.055 2.955 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.462 4.000 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.942 5.196 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.338 3.671 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.640 5.222 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.581 6.474 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.204 6.546 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.983 5.880 -6.040 1.00 0.00 H new ATOM 721 N ASP A 47 -10.295 3.884 -1.072 1.00 0.00 N ATOM 722 CA ASP A 47 -10.811 3.981 0.298 1.00 0.00 C ATOM 723 C ASP A 47 -9.856 4.760 1.203 1.00 0.00 C ATOM 724 O ASP A 47 -9.522 4.318 2.306 1.00 0.00 O ATOM 725 CB ASP A 47 -11.058 2.589 0.889 1.00 0.00 C ATOM 726 CG ASP A 47 -12.247 1.889 0.266 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.392 2.217 0.632 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.041 0.995 -0.581 1.00 0.00 O ATOM 0 H ASP A 47 -9.875 2.982 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.757 4.521 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.167 1.977 0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.217 2.679 1.964 1.00 0.00 H new ATOM 733 N THR A 48 -9.432 5.918 0.731 1.00 0.00 N ATOM 734 CA THR A 48 -8.538 6.791 1.476 1.00 0.00 C ATOM 735 C THR A 48 -8.893 8.253 1.208 1.00 0.00 C ATOM 736 O THR A 48 -9.898 8.536 0.549 1.00 0.00 O ATOM 737 CB THR A 48 -7.070 6.531 1.093 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.994 6.049 -0.249 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.422 5.525 2.030 1.00 0.00 C ATOM 0 H THR A 48 -9.698 6.283 -0.184 1.00 0.00 H new ATOM 0 HA THR A 48 -8.659 6.578 2.538 1.00 0.00 H new ATOM 0 HB THR A 48 -6.531 7.475 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.373 6.717 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.386 5.364 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.450 5.907 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.964 4.581 1.981 1.00 0.00 H new ATOM 747 N LYS A 49 -8.085 9.175 1.712 1.00 0.00 N ATOM 748 CA LYS A 49 -8.335 10.595 1.501 1.00 0.00 C ATOM 749 C LYS A 49 -7.441 11.138 0.398 1.00 0.00 C ATOM 750 O LYS A 49 -6.586 10.426 -0.099 1.00 0.00 O ATOM 751 CB LYS A 49 -8.106 11.384 2.794 1.00 0.00 C ATOM 752 CG LYS A 49 -8.663 10.706 4.040 1.00 0.00 C ATOM 753 CD LYS A 49 -8.311 11.485 5.297 1.00 0.00 C ATOM 754 CE LYS A 49 -8.481 10.645 6.554 1.00 0.00 C ATOM 755 NZ LYS A 49 -7.611 9.436 6.543 1.00 0.00 N ATOM 0 H LYS A 49 -7.255 8.968 2.267 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.376 10.712 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.036 11.542 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.563 12.368 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.746 10.618 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.266 9.694 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.280 11.834 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.944 12.370 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.247 11.251 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.523 10.340 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.328 9.203 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.134 8.636 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.763 9.624 5.971 1.00 0.00 H new ATOM 769 N GLY A 50 -7.633 12.407 0.050 1.00 0.00 N ATOM 770 CA GLY A 50 -6.985 12.997 -1.115 1.00 0.00 C ATOM 771 C GLY A 50 -5.492 12.725 -1.226 1.00 0.00 C ATOM 772 O GLY A 50 -5.032 12.233 -2.261 1.00 0.00 O ATOM 0 H GLY A 50 -8.237 13.050 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.475 12.622 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.142 14.075 -1.092 1.00 0.00 H new ATOM 776 N LYS A 51 -4.730 13.030 -0.179 1.00 0.00 N ATOM 777 CA LYS A 51 -3.284 12.808 -0.211 1.00 0.00 C ATOM 778 C LYS A 51 -2.970 11.322 -0.261 1.00 0.00 C ATOM 779 O LYS A 51 -1.960 10.909 -0.823 1.00 0.00 O ATOM 780 CB LYS A 51 -2.590 13.426 1.005 1.00 0.00 C ATOM 781 CG LYS A 51 -2.135 14.864 0.810 1.00 0.00 C ATOM 782 CD LYS A 51 -3.296 15.840 0.792 1.00 0.00 C ATOM 783 CE LYS A 51 -2.808 17.267 0.604 1.00 0.00 C ATOM 784 NZ LYS A 51 -2.212 17.481 -0.741 1.00 0.00 N ATOM 0 H LYS A 51 -5.082 13.427 0.692 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.907 13.293 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.271 13.386 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.724 12.816 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.447 15.136 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.582 14.944 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.983 15.578 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.854 15.763 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.641 17.956 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.068 17.501 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.048 18.497 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.308 16.971 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.863 17.125 -1.470 1.00 0.00 H new ATOM 798 N GLU A 52 -3.854 10.532 0.318 1.00 0.00 N ATOM 799 CA GLU A 52 -3.662 9.095 0.421 1.00 0.00 C ATOM 800 C GLU A 52 -4.042 8.407 -0.894 1.00 0.00 C ATOM 801 O GLU A 52 -3.410 7.431 -1.303 1.00 0.00 O ATOM 802 CB GLU A 52 -4.507 8.563 1.571 1.00 0.00 C ATOM 803 CG GLU A 52 -4.275 9.301 2.880 1.00 0.00 C ATOM 804 CD GLU A 52 -5.323 8.985 3.926 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.335 8.344 3.590 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.147 9.382 5.095 1.00 0.00 O ATOM 0 H GLU A 52 -4.725 10.866 0.730 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.611 8.881 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.561 8.636 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.288 7.505 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.290 9.041 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.270 10.374 2.691 1.00 0.00 H new ATOM 813 N ASN A 53 -5.079 8.927 -1.552 1.00 0.00 N ATOM 814 CA ASN A 53 -5.469 8.456 -2.878 1.00 0.00 C ATOM 815 C ASN A 53 -4.308 8.695 -3.835 1.00 0.00 C ATOM 816 O ASN A 53 -3.821 7.781 -4.496 1.00 0.00 O ATOM 817 CB ASN A 53 -6.719 9.197 -3.404 1.00 0.00 C ATOM 818 CG ASN A 53 -7.911 9.196 -2.465 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.116 8.110 -1.748 1.00 0.00 O flip ATOM 820 ND2 ASN A 53 -8.672 10.165 -2.417 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.665 9.677 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.713 7.396 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.446 10.230 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.020 8.744 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.483 10.990 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.490 10.141 -1.808 1.00 0.00 H new ATOM 827 N ARG A 54 -3.842 9.942 -3.861 1.00 0.00 N ATOM 828 CA ARG A 54 -2.708 10.345 -4.686 1.00 0.00 C ATOM 829 C ARG A 54 -1.480 9.508 -4.325 1.00 0.00 C ATOM 830 O ARG A 54 -0.666 9.156 -5.183 1.00 0.00 O ATOM 831 CB ARG A 54 -2.422 11.837 -4.446 1.00 0.00 C ATOM 832 CG ARG A 54 -1.716 12.565 -5.587 1.00 0.00 C ATOM 833 CD ARG A 54 -0.306 12.058 -5.830 1.00 0.00 C ATOM 834 NE ARG A 54 0.386 12.832 -6.858 1.00 0.00 N ATOM 835 CZ ARG A 54 1.177 12.297 -7.789 1.00 0.00 C ATOM 836 NH1 ARG A 54 1.344 10.979 -7.845 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.791 13.082 -8.665 1.00 0.00 N ATOM 0 H ARG A 54 -4.241 10.701 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.941 10.184 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.367 12.342 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.813 11.932 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.300 12.451 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.680 13.631 -5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.260 12.103 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.344 11.011 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 54 0.256 13.844 -6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.867 10.376 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.949 10.571 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.658 14.092 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.396 12.675 -9.378 1.00 0.00 H new ATOM 851 N LEU A 55 -1.378 9.176 -3.047 1.00 0.00 N ATOM 852 CA LEU A 55 -0.224 8.473 -2.509 1.00 0.00 C ATOM 853 C LEU A 55 -0.024 7.107 -3.152 1.00 0.00 C ATOM 854 O LEU A 55 1.110 6.655 -3.312 1.00 0.00 O ATOM 855 CB LEU A 55 -0.379 8.296 -1.003 1.00 0.00 C ATOM 856 CG LEU A 55 0.810 7.651 -0.313 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.006 8.584 -0.355 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.451 7.287 1.113 1.00 0.00 C ATOM 0 H LEU A 55 -2.095 9.387 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 55 0.652 9.081 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.557 9.273 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.265 7.691 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 55 1.076 6.734 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.853 8.112 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.266 8.796 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.759 9.515 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.311 6.825 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.167 8.187 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.384 6.586 1.110 1.00 0.00 H new ATOM 870 N CYS A 56 -1.110 6.449 -3.532 1.00 0.00 N ATOM 871 CA CYS A 56 -1.009 5.088 -4.037 1.00 0.00 C ATOM 872 C CYS A 56 -0.274 5.064 -5.367 1.00 0.00 C ATOM 873 O CYS A 56 0.271 4.038 -5.765 1.00 0.00 O ATOM 874 CB CYS A 56 -2.390 4.457 -4.193 1.00 0.00 C ATOM 875 SG CYS A 56 -3.276 4.983 -5.694 1.00 0.00 S ATOM 0 H CYS A 56 -2.057 6.828 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.443 4.505 -3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.284 3.372 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.993 4.707 -3.320 1.00 0.00 H new ATOM 880 N TYR A 57 -0.243 6.207 -6.040 1.00 0.00 N ATOM 881 CA TYR A 57 0.470 6.327 -7.299 1.00 0.00 C ATOM 882 C TYR A 57 1.973 6.287 -7.056 1.00 0.00 C ATOM 883 O TYR A 57 2.748 5.947 -7.947 1.00 0.00 O ATOM 884 CB TYR A 57 0.077 7.616 -8.021 1.00 0.00 C ATOM 885 CG TYR A 57 -1.362 7.635 -8.477 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.392 7.877 -7.578 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.691 7.406 -9.805 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.708 7.890 -7.987 1.00 0.00 C ATOM 889 CE2 TYR A 57 -3.007 7.417 -10.223 1.00 0.00 C ATOM 890 CZ TYR A 57 -4.011 7.661 -9.310 1.00 0.00 C ATOM 891 OH TYR A 57 -5.325 7.669 -9.721 1.00 0.00 O ATOM 0 H TYR A 57 -0.705 7.063 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 57 0.196 5.485 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.251 8.463 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.726 7.751 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.158 8.058 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.906 7.216 -10.522 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.497 8.079 -7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.249 7.235 -11.260 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.368 7.492 -10.684 1.00 0.00 H new ATOM 901 N TYR A 58 2.383 6.627 -5.837 1.00 0.00 N ATOM 902 CA TYR A 58 3.783 6.525 -5.458 1.00 0.00 C ATOM 903 C TYR A 58 4.119 5.087 -5.098 1.00 0.00 C ATOM 904 O TYR A 58 5.212 4.608 -5.380 1.00 0.00 O ATOM 905 CB TYR A 58 4.120 7.440 -4.275 1.00 0.00 C ATOM 906 CG TYR A 58 4.011 8.920 -4.574 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.071 9.612 -5.146 1.00 0.00 C ATOM 908 CD2 TYR A 58 2.854 9.626 -4.272 1.00 0.00 C ATOM 909 CE1 TYR A 58 4.979 10.966 -5.410 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.756 10.979 -4.534 1.00 0.00 C ATOM 911 CZ TYR A 58 3.820 11.644 -5.102 1.00 0.00 C ATOM 912 OH TYR A 58 3.724 12.992 -5.365 1.00 0.00 O ATOM 0 H TYR A 58 1.767 6.973 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 58 4.380 6.844 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.455 7.200 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.135 7.223 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.981 9.084 -5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.017 9.109 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.812 11.490 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.848 11.513 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 58 2.842 13.317 -5.089 1.00 0.00 H new ATOM 922 N LEU A 59 3.157 4.400 -4.491 1.00 0.00 N ATOM 923 CA LEU A 59 3.350 3.015 -4.078 1.00 0.00 C ATOM 924 C LEU A 59 3.118 2.058 -5.253 1.00 0.00 C ATOM 925 O LEU A 59 3.324 0.852 -5.134 1.00 0.00 O ATOM 926 CB LEU A 59 2.428 2.678 -2.896 1.00 0.00 C ATOM 927 CG LEU A 59 2.661 3.516 -1.623 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.688 3.125 -0.520 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.091 3.362 -1.126 1.00 0.00 C ATOM 0 H LEU A 59 2.236 4.780 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 59 4.382 2.891 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.394 2.809 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.554 1.624 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 59 2.488 4.560 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.877 3.733 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.666 3.289 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.823 2.072 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.230 3.963 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.285 2.314 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.783 3.698 -1.898 1.00 0.00 H new ATOM 941 N GLY A 60 2.680 2.608 -6.386 1.00 0.00 N ATOM 942 CA GLY A 60 2.616 1.837 -7.618 1.00 0.00 C ATOM 943 C GLY A 60 1.256 1.222 -7.891 1.00 0.00 C ATOM 944 O GLY A 60 1.140 0.310 -8.709 1.00 0.00 O ATOM 0 H GLY A 60 2.368 3.575 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.885 2.483 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.361 1.042 -7.576 1.00 0.00 H new ATOM 948 N ALA A 61 0.223 1.722 -7.234 1.00 0.00 N ATOM 949 CA ALA A 61 -1.112 1.164 -7.386 1.00 0.00 C ATOM 950 C ALA A 61 -1.870 1.834 -8.533 1.00 0.00 C ATOM 951 O ALA A 61 -1.332 2.702 -9.217 1.00 0.00 O ATOM 952 CB ALA A 61 -1.888 1.291 -6.082 1.00 0.00 C ATOM 0 H ALA A 61 0.282 2.512 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.010 0.107 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.885 0.870 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.364 0.751 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.971 2.343 -5.809 1.00 0.00 H new ATOM 958 N THR A 62 -3.116 1.392 -8.736 1.00 0.00 N ATOM 959 CA THR A 62 -4.040 1.932 -9.752 1.00 0.00 C ATOM 960 C THR A 62 -3.505 1.814 -11.179 1.00 0.00 C ATOM 961 O THR A 62 -4.028 2.457 -12.095 1.00 0.00 O ATOM 962 CB THR A 62 -4.443 3.405 -9.482 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.307 4.275 -9.521 1.00 0.00 O ATOM 964 CG2 THR A 62 -5.130 3.535 -8.137 1.00 0.00 C ATOM 0 H THR A 62 -3.523 0.633 -8.190 1.00 0.00 H new ATOM 0 HA THR A 62 -4.927 1.305 -9.664 1.00 0.00 H new ATOM 0 HB THR A 62 -5.134 3.700 -10.272 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.514 3.766 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.404 4.576 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.028 2.917 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.453 3.205 -7.349 1.00 0.00 H new ATOM 972 N LYS A 63 -2.481 0.980 -11.364 1.00 0.00 N ATOM 973 CA LYS A 63 -1.832 0.803 -12.666 1.00 0.00 C ATOM 974 C LYS A 63 -1.222 2.116 -13.154 1.00 0.00 C ATOM 975 O LYS A 63 -1.284 3.136 -12.458 1.00 0.00 O ATOM 976 CB LYS A 63 -2.815 0.265 -13.713 1.00 0.00 C ATOM 977 CG LYS A 63 -3.412 -1.092 -13.372 1.00 0.00 C ATOM 978 CD LYS A 63 -4.225 -1.640 -14.535 1.00 0.00 C ATOM 979 CE LYS A 63 -5.363 -0.707 -14.916 1.00 0.00 C ATOM 980 NZ LYS A 63 -6.010 -1.120 -16.188 1.00 0.00 N ATOM 0 H LYS A 63 -2.079 0.410 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.036 0.071 -12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.625 0.984 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.302 0.193 -14.672 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.614 -1.791 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.047 -1.002 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.573 -1.789 -15.396 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.629 -2.616 -14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.105 -0.694 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.983 0.310 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.781 -0.460 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.307 -1.109 -16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.395 -2.081 -16.086 1.00 0.00 H new ATOM 994 N ASP A 64 -0.622 2.073 -14.346 1.00 0.00 N ATOM 995 CA ASP A 64 0.029 3.236 -14.968 1.00 0.00 C ATOM 996 C ASP A 64 1.329 3.586 -14.246 1.00 0.00 C ATOM 997 O ASP A 64 2.362 3.795 -14.881 1.00 0.00 O ATOM 998 CB ASP A 64 -0.902 4.452 -15.015 1.00 0.00 C ATOM 999 CG ASP A 64 -0.239 5.662 -15.640 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -0.049 5.668 -16.873 1.00 0.00 O ATOM 1001 OD2 ASP A 64 0.097 6.612 -14.901 1.00 0.00 O ATOM 0 H ASP A 64 -0.572 1.227 -14.913 1.00 0.00 H new ATOM 0 HA ASP A 64 0.266 2.960 -15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.798 4.199 -15.582 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.224 4.699 -14.003 1.00 0.00 H new ATOM 1006 N ALA A 65 1.265 3.651 -12.925 1.00 0.00 N ATOM 1007 CA ALA A 65 2.445 3.834 -12.100 1.00 0.00 C ATOM 1008 C ALA A 65 3.381 2.640 -12.268 1.00 0.00 C ATOM 1009 O ALA A 65 2.943 1.550 -12.642 1.00 0.00 O ATOM 1010 CB ALA A 65 2.036 3.993 -10.644 1.00 0.00 C ATOM 0 H ALA A 65 0.395 3.578 -12.397 1.00 0.00 H new ATOM 0 HA ALA A 65 2.971 4.736 -12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.925 4.130 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.386 4.862 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.502 3.101 -10.316 1.00 0.00 H new ATOM 1016 N ALA A 66 4.665 2.850 -12.003 1.00 0.00 N ATOM 1017 CA ALA A 66 5.663 1.800 -12.176 1.00 0.00 C ATOM 1018 C ALA A 66 5.362 0.601 -11.283 1.00 0.00 C ATOM 1019 O ALA A 66 5.448 0.688 -10.057 1.00 0.00 O ATOM 1020 CB ALA A 66 7.057 2.339 -11.890 1.00 0.00 C ATOM 0 H ALA A 66 5.040 3.737 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 66 5.623 1.466 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.789 1.543 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.279 3.156 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.102 2.705 -10.864 1.00 0.00 H new ATOM 1026 N THR A 67 5.015 -0.519 -11.911 1.00 0.00 N ATOM 1027 CA THR A 67 4.669 -1.740 -11.192 1.00 0.00 C ATOM 1028 C THR A 67 5.863 -2.293 -10.421 1.00 0.00 C ATOM 1029 O THR A 67 5.710 -3.164 -9.564 1.00 0.00 O ATOM 1030 CB THR A 67 4.127 -2.817 -12.152 1.00 0.00 C ATOM 1031 OG1 THR A 67 4.994 -2.944 -13.287 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.721 -2.472 -12.617 1.00 0.00 C ATOM 0 H THR A 67 4.966 -0.605 -12.926 1.00 0.00 H new ATOM 0 HA THR A 67 3.888 -1.478 -10.479 1.00 0.00 H new ATOM 0 HB THR A 67 4.091 -3.765 -11.615 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.643 -3.631 -13.891 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.361 -3.247 -13.293 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.058 -2.407 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.735 -1.514 -13.137 1.00 0.00 H new ATOM 1040 N LYS A 68 7.049 -1.784 -10.744 1.00 0.00 N ATOM 1041 CA LYS A 68 8.272 -2.119 -10.026 1.00 0.00 C ATOM 1042 C LYS A 68 8.070 -1.975 -8.517 1.00 0.00 C ATOM 1043 O LYS A 68 8.353 -2.897 -7.748 1.00 0.00 O ATOM 1044 CB LYS A 68 9.405 -1.201 -10.493 1.00 0.00 C ATOM 1045 CG LYS A 68 10.753 -1.494 -9.857 1.00 0.00 C ATOM 1046 CD LYS A 68 11.800 -0.487 -10.302 1.00 0.00 C ATOM 1047 CE LYS A 68 13.158 -0.784 -9.690 1.00 0.00 C ATOM 1048 NZ LYS A 68 13.723 -2.065 -10.186 1.00 0.00 N ATOM 0 H LYS A 68 7.188 -1.127 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 68 8.532 -3.156 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.502 -1.285 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.132 -0.168 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.659 -1.469 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.074 -2.500 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.880 -0.500 -11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.484 0.517 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.846 0.029 -9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.066 -0.824 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.713 -2.149 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.173 -2.859 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.679 -2.085 -11.225 1.00 0.00 H new ATOM 1062 N ILE A 69 7.552 -0.828 -8.097 1.00 0.00 N ATOM 1063 CA ILE A 69 7.322 -0.590 -6.682 1.00 0.00 C ATOM 1064 C ILE A 69 6.021 -1.255 -6.226 1.00 0.00 C ATOM 1065 O ILE A 69 5.874 -1.598 -5.056 1.00 0.00 O ATOM 1066 CB ILE A 69 7.322 0.920 -6.336 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.191 1.118 -4.822 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.212 1.651 -7.077 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.372 2.551 -4.372 1.00 0.00 C ATOM 0 H ILE A 69 7.286 -0.057 -8.710 1.00 0.00 H new ATOM 0 HA ILE A 69 8.152 -1.042 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 69 8.272 1.346 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.209 0.769 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.929 0.494 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.235 2.709 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.357 1.540 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.247 1.229 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.265 2.609 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.365 2.899 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.617 3.179 -4.845 1.00 0.00 H new ATOM 1081 N LEU A 70 5.097 -1.474 -7.162 1.00 0.00 N ATOM 1082 CA LEU A 70 3.874 -2.216 -6.864 1.00 0.00 C ATOM 1083 C LEU A 70 4.250 -3.593 -6.324 1.00 0.00 C ATOM 1084 O LEU A 70 3.752 -4.031 -5.285 1.00 0.00 O ATOM 1085 CB LEU A 70 2.996 -2.337 -8.128 1.00 0.00 C ATOM 1086 CG LEU A 70 1.582 -2.915 -7.941 1.00 0.00 C ATOM 1087 CD1 LEU A 70 1.618 -4.427 -7.773 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.888 -2.268 -6.755 1.00 0.00 C ATOM 0 H LEU A 70 5.172 -1.150 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 70 3.294 -1.683 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.901 -1.346 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.524 -2.960 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 70 1.013 -2.690 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.603 -4.803 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.063 -4.881 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.214 -4.682 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.110 -2.692 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.466 -2.454 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.809 -1.194 -6.921 1.00 0.00 H new ATOM 1100 N SER A 71 5.155 -4.263 -7.024 1.00 0.00 N ATOM 1101 CA SER A 71 5.641 -5.555 -6.581 1.00 0.00 C ATOM 1102 C SER A 71 6.505 -5.411 -5.327 1.00 0.00 C ATOM 1103 O SER A 71 6.457 -6.255 -4.431 1.00 0.00 O ATOM 1104 CB SER A 71 6.405 -6.247 -7.709 1.00 0.00 C ATOM 1105 OG SER A 71 7.298 -5.359 -8.359 1.00 0.00 O ATOM 0 H SER A 71 5.564 -3.932 -7.898 1.00 0.00 H new ATOM 0 HA SER A 71 4.786 -6.179 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.962 -7.093 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.698 -6.648 -8.435 1.00 0.00 H new ATOM 0 HG SER A 71 7.490 -4.599 -7.770 1.00 0.00 H new ATOM 1111 N GLU A 72 7.256 -4.315 -5.252 1.00 0.00 N ATOM 1112 CA GLU A 72 8.117 -4.046 -4.102 1.00 0.00 C ATOM 1113 C GLU A 72 7.291 -3.947 -2.816 1.00 0.00 C ATOM 1114 O GLU A 72 7.761 -4.303 -1.738 1.00 0.00 O ATOM 1115 CB GLU A 72 8.899 -2.749 -4.323 1.00 0.00 C ATOM 1116 CG GLU A 72 9.930 -2.455 -3.243 1.00 0.00 C ATOM 1117 CD GLU A 72 11.104 -3.412 -3.279 1.00 0.00 C ATOM 1118 OE1 GLU A 72 10.988 -4.538 -2.754 1.00 0.00 O ATOM 1119 OE2 GLU A 72 12.160 -3.038 -3.830 1.00 0.00 O ATOM 0 H GLU A 72 7.286 -3.597 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 72 8.819 -4.873 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.404 -2.801 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.196 -1.918 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.294 -1.435 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.452 -2.510 -2.265 1.00 0.00 H new ATOM 1126 N VAL A 73 6.065 -3.451 -2.939 1.00 0.00 N ATOM 1127 CA VAL A 73 5.163 -3.339 -1.798 1.00 0.00 C ATOM 1128 C VAL A 73 4.387 -4.641 -1.565 1.00 0.00 C ATOM 1129 O VAL A 73 4.312 -5.134 -0.436 1.00 0.00 O ATOM 1130 CB VAL A 73 4.166 -2.171 -1.981 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.201 -2.085 -0.807 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.909 -0.854 -2.149 1.00 0.00 C ATOM 0 H VAL A 73 5.672 -3.119 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 73 5.784 -3.140 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 73 3.587 -2.364 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.512 -1.255 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.638 -3.015 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.762 -1.923 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.190 -0.044 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.517 -0.664 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.553 -0.909 -3.027 1.00 0.00 H new ATOM 1142 N THR A 74 3.829 -5.203 -2.635 1.00 0.00 N ATOM 1143 CA THR A 74 2.951 -6.367 -2.522 1.00 0.00 C ATOM 1144 C THR A 74 3.606 -7.539 -1.793 1.00 0.00 C ATOM 1145 O THR A 74 2.987 -8.130 -0.905 1.00 0.00 O ATOM 1146 CB THR A 74 2.452 -6.847 -3.899 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.526 -6.838 -4.843 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.317 -5.971 -4.408 1.00 0.00 C ATOM 0 H THR A 74 3.969 -4.872 -3.590 1.00 0.00 H new ATOM 0 HA THR A 74 2.102 -6.027 -1.928 1.00 0.00 H new ATOM 0 HB THR A 74 2.078 -7.864 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.305 -7.425 -5.596 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.986 -6.334 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.485 -6.008 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.666 -4.943 -4.504 1.00 0.00 H new ATOM 1156 N ARG A 75 4.847 -7.876 -2.152 1.00 0.00 N ATOM 1157 CA ARG A 75 5.522 -9.026 -1.535 1.00 0.00 C ATOM 1158 C ARG A 75 5.585 -8.902 -0.008 1.00 0.00 C ATOM 1159 O ARG A 75 5.093 -9.783 0.696 1.00 0.00 O ATOM 1160 CB ARG A 75 6.938 -9.240 -2.094 1.00 0.00 C ATOM 1161 CG ARG A 75 7.000 -9.988 -3.419 1.00 0.00 C ATOM 1162 CD ARG A 75 6.509 -9.138 -4.571 1.00 0.00 C ATOM 1163 NE ARG A 75 6.841 -9.716 -5.870 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.811 -9.248 -6.661 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.624 -8.283 -6.239 1.00 0.00 N ATOM 1166 NH2 ARG A 75 7.987 -9.761 -7.870 1.00 0.00 N ATOM 0 H ARG A 75 5.398 -7.381 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 75 4.918 -9.897 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.413 -8.267 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.525 -9.788 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.026 -10.302 -3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.397 -10.894 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.428 -9.018 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.947 -8.142 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 75 6.303 -10.521 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.510 -7.893 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.361 -7.933 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.382 -10.514 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.728 -9.403 -8.473 1.00 0.00 H new ATOM 1180 N PRO A 76 6.165 -7.817 0.541 1.00 0.00 N ATOM 1181 CA PRO A 76 6.305 -7.677 1.991 1.00 0.00 C ATOM 1182 C PRO A 76 5.007 -7.320 2.703 1.00 0.00 C ATOM 1183 O PRO A 76 4.930 -7.387 3.924 1.00 0.00 O ATOM 1184 CB PRO A 76 7.332 -6.564 2.143 1.00 0.00 C ATOM 1185 CG PRO A 76 7.161 -5.733 0.925 1.00 0.00 C ATOM 1186 CD PRO A 76 6.792 -6.690 -0.175 1.00 0.00 C ATOM 0 HA PRO A 76 6.601 -8.620 2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.156 -5.983 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.344 -6.964 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.383 -4.984 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.079 -5.197 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.104 -6.235 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.668 -7.011 -0.738 1.00 0.00 H new ATOM 1194 N MET A 77 4.002 -6.908 1.952 1.00 0.00 N ATOM 1195 CA MET A 77 2.683 -6.703 2.528 1.00 0.00 C ATOM 1196 C MET A 77 2.020 -8.043 2.783 1.00 0.00 C ATOM 1197 O MET A 77 1.288 -8.212 3.750 1.00 0.00 O ATOM 1198 CB MET A 77 1.800 -5.862 1.606 1.00 0.00 C ATOM 1199 CG MET A 77 2.023 -4.369 1.745 1.00 0.00 C ATOM 1200 SD MET A 77 1.587 -3.761 3.384 1.00 0.00 S ATOM 1201 CE MET A 77 1.900 -2.013 3.179 1.00 0.00 C ATOM 0 H MET A 77 4.070 -6.710 0.954 1.00 0.00 H new ATOM 0 HA MET A 77 2.805 -6.166 3.469 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.987 -6.154 0.573 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.754 -6.085 1.816 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.069 -4.140 1.542 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.430 -3.844 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.698 -1.705 3.854 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.199 -1.815 2.150 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.994 -1.452 3.408 1.00 0.00 H new ATOM 1211 N SER A 78 2.322 -8.995 1.914 1.00 0.00 N ATOM 1212 CA SER A 78 1.689 -10.309 1.915 1.00 0.00 C ATOM 1213 C SER A 78 2.084 -11.151 3.133 1.00 0.00 C ATOM 1214 O SER A 78 1.453 -12.169 3.429 1.00 0.00 O ATOM 1215 CB SER A 78 2.077 -11.018 0.625 1.00 0.00 C ATOM 1216 OG SER A 78 1.550 -10.334 -0.498 1.00 0.00 O ATOM 0 H SER A 78 3.020 -8.878 1.180 1.00 0.00 H new ATOM 0 HA SER A 78 0.609 -10.179 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.163 -11.074 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.705 -12.043 0.641 1.00 0.00 H new ATOM 0 HG SER A 78 1.925 -9.429 -0.536 1.00 0.00 H new ATOM 1222 N VAL A 79 3.127 -10.729 3.828 1.00 0.00 N ATOM 1223 CA VAL A 79 3.606 -11.434 5.005 1.00 0.00 C ATOM 1224 C VAL A 79 4.000 -10.418 6.077 1.00 0.00 C ATOM 1225 O VAL A 79 4.378 -9.299 5.754 1.00 0.00 O ATOM 1226 CB VAL A 79 4.799 -12.358 4.641 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.913 -11.576 3.968 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.322 -13.099 5.864 1.00 0.00 C ATOM 0 H VAL A 79 3.663 -9.893 3.594 1.00 0.00 H new ATOM 0 HA VAL A 79 2.810 -12.067 5.397 1.00 0.00 H new ATOM 0 HB VAL A 79 4.431 -13.101 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.735 -12.250 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.535 -11.119 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.270 -10.797 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.157 -13.737 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.658 -12.379 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.526 -13.713 6.286 1.00 0.00 H new ATOM 1238 N HIS A 80 3.860 -10.796 7.345 1.00 0.00 N ATOM 1239 CA HIS A 80 4.155 -9.894 8.461 1.00 0.00 C ATOM 1240 C HIS A 80 5.603 -9.414 8.381 1.00 0.00 C ATOM 1241 O HIS A 80 6.533 -10.167 8.684 1.00 0.00 O ATOM 1242 CB HIS A 80 3.903 -10.606 9.795 1.00 0.00 C ATOM 1243 CG HIS A 80 3.471 -9.687 10.896 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.187 -9.672 11.393 1.00 0.00 N ATOM 1245 CD2 HIS A 80 4.148 -8.746 11.591 1.00 0.00 C ATOM 1246 CE1 HIS A 80 2.094 -8.762 12.339 1.00 0.00 C ATOM 1247 NE2 HIS A 80 3.268 -8.183 12.482 1.00 0.00 N ATOM 0 H HIS A 80 3.543 -11.723 7.628 1.00 0.00 H new ATOM 0 HA HIS A 80 3.497 -9.028 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.139 -11.370 9.650 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.814 -11.121 10.100 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.189 -8.485 11.468 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.203 -8.529 12.904 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.487 -7.439 13.145 1.00 0.00 H new ATOM 1256 N MET A 81 5.791 -8.162 7.975 1.00 0.00 N ATOM 1257 CA MET A 81 7.120 -7.662 7.646 1.00 0.00 C ATOM 1258 C MET A 81 7.353 -6.212 8.112 1.00 0.00 C ATOM 1259 O MET A 81 6.448 -5.556 8.628 1.00 0.00 O ATOM 1260 CB MET A 81 7.343 -7.773 6.125 1.00 0.00 C ATOM 1261 CG MET A 81 7.763 -9.163 5.675 1.00 0.00 C ATOM 1262 SD MET A 81 8.416 -9.195 3.992 1.00 0.00 S ATOM 1263 CE MET A 81 9.884 -8.180 4.165 1.00 0.00 C ATOM 0 H MET A 81 5.042 -7.478 7.866 1.00 0.00 H new ATOM 0 HA MET A 81 7.841 -8.278 8.183 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.424 -7.495 5.609 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.107 -7.056 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.520 -9.547 6.359 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.906 -9.834 5.739 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.561 -8.374 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.601 -7.127 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.384 -8.421 5.103 1.00 0.00 H new ATOM 1273 N PRO A 82 8.617 -5.744 7.937 1.00 0.00 N ATOM 1274 CA PRO A 82 9.144 -4.388 8.228 1.00 0.00 C ATOM 1275 C PRO A 82 8.280 -3.163 7.883 1.00 0.00 C ATOM 1276 O PRO A 82 8.765 -2.062 8.046 1.00 0.00 O ATOM 1277 CB PRO A 82 10.455 -4.310 7.425 1.00 0.00 C ATOM 1278 CG PRO A 82 10.562 -5.604 6.698 1.00 0.00 C ATOM 1279 CD PRO A 82 9.741 -6.574 7.482 1.00 0.00 C ATOM 0 HA PRO A 82 9.219 -4.311 9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.438 -3.471 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.310 -4.160 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.191 -5.512 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.599 -5.932 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.406 -7.410 6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.299 -6.995 8.318 1.00 0.00 H new ATOM 1287 N ALA A 83 7.060 -3.347 7.378 1.00 0.00 N ATOM 1288 CA ALA A 83 6.313 -2.326 6.610 1.00 0.00 C ATOM 1289 C ALA A 83 6.501 -0.863 7.060 1.00 0.00 C ATOM 1290 O ALA A 83 6.697 0.008 6.202 1.00 0.00 O ATOM 1291 CB ALA A 83 4.833 -2.677 6.630 1.00 0.00 C ATOM 0 H ALA A 83 6.546 -4.221 7.488 1.00 0.00 H new ATOM 0 HA ALA A 83 6.735 -2.360 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.274 -1.930 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.686 -3.658 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.477 -2.695 7.660 1.00 0.00 H new ATOM 1297 N MET A 84 6.476 -0.579 8.359 1.00 0.00 N ATOM 1298 CA MET A 84 6.709 0.792 8.833 1.00 0.00 C ATOM 1299 C MET A 84 8.093 1.294 8.400 1.00 0.00 C ATOM 1300 O MET A 84 8.268 2.457 8.036 1.00 0.00 O ATOM 1301 CB MET A 84 6.562 0.896 10.359 1.00 0.00 C ATOM 1302 CG MET A 84 7.448 -0.063 11.134 1.00 0.00 C ATOM 1303 SD MET A 84 6.848 -1.760 11.077 1.00 0.00 S ATOM 1304 CE MET A 84 8.400 -2.640 11.074 1.00 0.00 C ATOM 0 H MET A 84 6.300 -1.263 9.095 1.00 0.00 H new ATOM 0 HA MET A 84 5.948 1.425 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.793 1.916 10.667 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.522 0.710 10.627 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.459 -0.025 10.729 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.508 0.262 12.173 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.222 -3.691 10.845 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.060 -2.211 10.320 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.868 -2.556 12.055 1.00 0.00 H new ATOM 1314 N LYS A 85 9.066 0.401 8.423 1.00 0.00 N ATOM 1315 CA LYS A 85 10.412 0.703 7.969 1.00 0.00 C ATOM 1316 C LYS A 85 10.507 0.515 6.455 1.00 0.00 C ATOM 1317 O LYS A 85 11.415 1.031 5.810 1.00 0.00 O ATOM 1318 CB LYS A 85 11.427 -0.194 8.696 1.00 0.00 C ATOM 1319 CG LYS A 85 12.866 -0.011 8.231 1.00 0.00 C ATOM 1320 CD LYS A 85 13.843 -0.813 9.078 1.00 0.00 C ATOM 1321 CE LYS A 85 13.524 -2.301 9.069 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.472 -3.075 9.912 1.00 0.00 N ATOM 0 H LYS A 85 8.945 -0.555 8.757 1.00 0.00 H new ATOM 0 HA LYS A 85 10.644 1.742 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.374 0.009 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.141 -1.236 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.952 -0.318 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.130 1.046 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.856 -0.658 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.820 -0.444 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.507 -2.457 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.560 -2.674 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.221 -4.084 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.440 -2.947 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.419 -2.737 10.894 1.00 0.00 H new ATOM 1336 N ILE A 86 9.549 -0.206 5.880 1.00 0.00 N ATOM 1337 CA ILE A 86 9.533 -0.412 4.437 1.00 0.00 C ATOM 1338 C ILE A 86 9.392 0.918 3.713 1.00 0.00 C ATOM 1339 O ILE A 86 10.079 1.157 2.726 1.00 0.00 O ATOM 1340 CB ILE A 86 8.421 -1.386 3.978 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.737 -2.798 4.470 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.272 -1.368 2.460 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.745 -3.844 4.014 1.00 0.00 C ATOM 0 H ILE A 86 8.783 -0.652 6.384 1.00 0.00 H new ATOM 0 HA ILE A 86 10.486 -0.873 4.178 1.00 0.00 H new ATOM 0 HB ILE A 86 7.474 -1.062 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.731 -3.079 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.770 -2.793 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.484 -2.061 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.012 -0.362 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.213 -1.669 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.039 -4.819 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.752 -3.589 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.728 -3.879 2.925 1.00 0.00 H new ATOM 1355 N CYS A 87 8.533 1.801 4.217 1.00 0.00 N ATOM 1356 CA CYS A 87 8.420 3.133 3.621 1.00 0.00 C ATOM 1357 C CYS A 87 9.718 3.908 3.789 1.00 0.00 C ATOM 1358 O CYS A 87 10.057 4.764 2.974 1.00 0.00 O ATOM 1359 CB CYS A 87 7.257 3.940 4.202 1.00 0.00 C ATOM 1360 SG CYS A 87 7.120 5.618 3.490 1.00 0.00 S ATOM 0 H CYS A 87 7.920 1.628 5.014 1.00 0.00 H new ATOM 0 HA CYS A 87 8.218 2.983 2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.326 3.401 4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.382 4.019 5.282 1.00 0.00 H new ATOM 1365 N GLU A 88 10.456 3.579 4.830 1.00 0.00 N ATOM 1366 CA GLU A 88 11.743 4.195 5.076 1.00 0.00 C ATOM 1367 C GLU A 88 12.747 3.720 4.026 1.00 0.00 C ATOM 1368 O GLU A 88 13.660 4.446 3.639 1.00 0.00 O ATOM 1369 CB GLU A 88 12.202 3.828 6.478 1.00 0.00 C ATOM 1370 CG GLU A 88 13.566 4.371 6.859 1.00 0.00 C ATOM 1371 CD GLU A 88 14.002 3.911 8.232 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.409 4.367 9.232 1.00 0.00 O ATOM 1373 OE2 GLU A 88 14.931 3.085 8.317 1.00 0.00 O ATOM 0 H GLU A 88 10.183 2.883 5.524 1.00 0.00 H new ATOM 0 HA GLU A 88 11.665 5.280 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.467 4.195 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.220 2.742 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.301 4.052 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.541 5.460 6.834 1.00 0.00 H new ATOM 1380 N LYS A 89 12.560 2.490 3.562 1.00 0.00 N ATOM 1381 CA LYS A 89 13.365 1.950 2.476 1.00 0.00 C ATOM 1382 C LYS A 89 12.864 2.490 1.139 1.00 0.00 C ATOM 1383 O LYS A 89 13.629 2.633 0.182 1.00 0.00 O ATOM 1384 CB LYS A 89 13.322 0.422 2.481 1.00 0.00 C ATOM 1385 CG LYS A 89 13.847 -0.195 3.768 1.00 0.00 C ATOM 1386 CD LYS A 89 13.915 -1.713 3.684 1.00 0.00 C ATOM 1387 CE LYS A 89 12.543 -2.337 3.477 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.620 -3.820 3.418 1.00 0.00 N ATOM 0 H LYS A 89 11.855 1.847 3.923 1.00 0.00 H new ATOM 0 HA LYS A 89 14.399 2.263 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.294 0.095 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.908 0.047 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.840 0.201 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.203 0.094 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.571 -2.001 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.358 -2.107 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.881 -2.038 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.106 -1.958 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.667 -4.212 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.233 -4.105 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.014 -4.183 4.309 1.00 0.00 H new ATOM 1402 N LEU A 90 11.572 2.799 1.089 1.00 0.00 N ATOM 1403 CA LEU A 90 10.961 3.398 -0.092 1.00 0.00 C ATOM 1404 C LEU A 90 11.476 4.817 -0.291 1.00 0.00 C ATOM 1405 O LEU A 90 11.458 5.340 -1.403 1.00 0.00 O ATOM 1406 CB LEU A 90 9.434 3.413 0.031 1.00 0.00 C ATOM 1407 CG LEU A 90 8.768 2.037 0.124 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.258 2.182 0.223 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.143 1.183 -1.075 1.00 0.00 C ATOM 0 H LEU A 90 10.923 2.643 1.860 1.00 0.00 H new ATOM 0 HA LEU A 90 11.234 2.793 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.164 3.989 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.022 3.939 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 90 9.126 1.541 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.801 1.195 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.005 2.758 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.883 2.697 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.661 0.209 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.813 1.675 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.225 1.052 -1.104 1.00 0.00 H new ATOM 1421 N LYS A 91 11.938 5.431 0.795 1.00 0.00 N ATOM 1422 CA LYS A 91 12.532 6.762 0.728 1.00 0.00 C ATOM 1423 C LYS A 91 13.782 6.757 -0.146 1.00 0.00 C ATOM 1424 O LYS A 91 14.174 7.791 -0.689 1.00 0.00 O ATOM 1425 CB LYS A 91 12.896 7.274 2.124 1.00 0.00 C ATOM 1426 CG LYS A 91 11.711 7.441 3.058 1.00 0.00 C ATOM 1427 CD LYS A 91 12.144 8.022 4.396 1.00 0.00 C ATOM 1428 CE LYS A 91 12.694 9.432 4.235 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.301 9.945 5.490 1.00 0.00 N ATOM 0 H LYS A 91 11.912 5.028 1.732 1.00 0.00 H new ATOM 0 HA LYS A 91 11.788 7.426 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.606 6.583 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.404 8.234 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.970 8.095 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.230 6.476 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.296 8.036 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.904 7.382 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.442 9.440 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.891 10.100 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.662 10.908 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.582 9.963 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.085 9.324 5.776 1.00 0.00 H new ATOM 1443 N LYS A 92 14.416 5.592 -0.263 1.00 0.00 N ATOM 1444 CA LYS A 92 15.588 5.444 -1.114 1.00 0.00 C ATOM 1445 C LYS A 92 15.160 5.406 -2.575 1.00 0.00 C ATOM 1446 O LYS A 92 15.866 5.900 -3.455 1.00 0.00 O ATOM 1447 CB LYS A 92 16.368 4.177 -0.752 1.00 0.00 C ATOM 1448 CG LYS A 92 17.610 3.970 -1.603 1.00 0.00 C ATOM 1449 CD LYS A 92 18.390 2.738 -1.177 1.00 0.00 C ATOM 1450 CE LYS A 92 19.582 2.494 -2.090 1.00 0.00 C ATOM 1451 NZ LYS A 92 20.568 3.607 -2.037 1.00 0.00 N ATOM 0 H LYS A 92 14.136 4.739 0.222 1.00 0.00 H new ATOM 0 HA LYS A 92 16.245 6.299 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.659 4.226 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.713 3.312 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.321 3.873 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.251 4.849 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.735 2.861 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.734 1.867 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.072 1.563 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.233 2.369 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.429 3.333 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.158 4.456 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 20.808 3.812 -1.046 1.00 0.00 H new ATOM 1465 N LEU A 93 13.993 4.820 -2.823 1.00 0.00 N ATOM 1466 CA LEU A 93 13.418 4.797 -4.161 1.00 0.00 C ATOM 1467 C LEU A 93 13.007 6.206 -4.558 1.00 0.00 C ATOM 1468 O LEU A 93 13.396 6.705 -5.613 1.00 0.00 O ATOM 1469 CB LEU A 93 12.213 3.857 -4.218 1.00 0.00 C ATOM 1470 CG LEU A 93 12.531 2.383 -3.968 1.00 0.00 C ATOM 1471 CD1 LEU A 93 11.255 1.561 -3.923 1.00 0.00 C ATOM 1472 CD2 LEU A 93 13.465 1.846 -5.042 1.00 0.00 C ATOM 0 H LEU A 93 13.427 4.355 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 93 14.167 4.427 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.480 4.185 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.744 3.951 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 93 13.030 2.302 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.502 0.515 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.616 1.925 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.730 1.652 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.679 0.795 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.991 1.944 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.395 2.414 -5.032 1.00 0.00 H new ATOM 1484 N ASP A 94 12.234 6.842 -3.690 1.00 0.00 N ATOM 1485 CA ASP A 94 11.845 8.231 -3.875 1.00 0.00 C ATOM 1486 C ASP A 94 11.389 8.807 -2.541 1.00 0.00 C ATOM 1487 O ASP A 94 10.497 8.266 -1.890 1.00 0.00 O ATOM 1488 CB ASP A 94 10.723 8.354 -4.908 1.00 0.00 C ATOM 1489 CG ASP A 94 10.540 9.773 -5.415 1.00 0.00 C ATOM 1490 OD1 ASP A 94 10.750 10.730 -4.641 1.00 0.00 O ATOM 1491 OD2 ASP A 94 10.200 9.935 -6.608 1.00 0.00 O ATOM 0 H ASP A 94 11.861 6.413 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 94 12.705 8.789 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.938 7.697 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.789 8.008 -4.465 1.00 0.00 H new ATOM 1496 N SER A 95 12.009 9.901 -2.137 1.00 0.00 N ATOM 1497 CA SER A 95 11.717 10.513 -0.850 1.00 0.00 C ATOM 1498 C SER A 95 10.370 11.237 -0.878 1.00 0.00 C ATOM 1499 O SER A 95 9.775 11.510 0.166 1.00 0.00 O ATOM 1500 CB SER A 95 12.841 11.476 -0.477 1.00 0.00 C ATOM 1501 OG SER A 95 14.108 10.837 -0.595 1.00 0.00 O ATOM 0 H SER A 95 12.721 10.387 -2.683 1.00 0.00 H new ATOM 0 HA SER A 95 11.652 9.729 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.807 12.351 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.700 11.830 0.544 1.00 0.00 H new ATOM 0 HG SER A 95 13.988 9.865 -0.564 1.00 0.00 H new ATOM 1507 N GLN A 96 9.878 11.520 -2.080 1.00 0.00 N ATOM 1508 CA GLN A 96 8.608 12.212 -2.243 1.00 0.00 C ATOM 1509 C GLN A 96 7.444 11.260 -1.978 1.00 0.00 C ATOM 1510 O GLN A 96 6.305 11.685 -1.799 1.00 0.00 O ATOM 1511 CB GLN A 96 8.507 12.811 -3.652 1.00 0.00 C ATOM 1512 CG GLN A 96 7.277 13.683 -3.872 1.00 0.00 C ATOM 1513 CD GLN A 96 7.289 14.958 -3.046 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.850 15.013 -1.951 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.663 15.996 -3.568 1.00 0.00 N ATOM 0 H GLN A 96 10.342 11.279 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 96 8.557 13.024 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.400 13.405 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.499 12.000 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.209 13.943 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.384 13.108 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.209 15.913 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.633 16.881 -3.062 1.00 0.00 H new ATOM 1524 N ILE A 97 7.747 9.967 -1.944 1.00 0.00 N ATOM 1525 CA ILE A 97 6.736 8.940 -1.711 1.00 0.00 C ATOM 1526 C ILE A 97 6.171 9.021 -0.291 1.00 0.00 C ATOM 1527 O ILE A 97 5.058 8.572 -0.029 1.00 0.00 O ATOM 1528 CB ILE A 97 7.316 7.526 -1.967 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.710 7.381 -3.439 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.328 6.433 -1.572 1.00 0.00 C ATOM 1531 CD1 ILE A 97 8.294 6.029 -3.787 1.00 0.00 C ATOM 0 H ILE A 97 8.691 9.603 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 97 5.923 9.122 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 97 8.203 7.409 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.831 7.557 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.436 8.155 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.770 5.456 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.093 6.521 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.414 6.540 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.548 6.004 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.193 5.857 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.563 5.250 -3.571 1.00 0.00 H new ATOM 1543 N CYS A 98 6.918 9.610 0.630 1.00 0.00 N ATOM 1544 CA CYS A 98 6.465 9.641 2.011 1.00 0.00 C ATOM 1545 C CYS A 98 6.234 11.067 2.520 1.00 0.00 C ATOM 1546 O CYS A 98 5.267 11.319 3.245 1.00 0.00 O ATOM 1547 CB CYS A 98 7.445 8.883 2.919 1.00 0.00 C ATOM 1548 SG CYS A 98 9.002 9.752 3.301 1.00 0.00 S ATOM 0 H CYS A 98 7.816 10.061 0.454 1.00 0.00 H new ATOM 0 HA CYS A 98 5.499 9.138 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.939 8.653 3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 98 7.688 7.931 2.446 1.00 0.00 H new ATOM 1553 N GLU A 99 7.092 12.004 2.128 1.00 0.00 N ATOM 1554 CA GLU A 99 7.044 13.359 2.677 1.00 0.00 C ATOM 1555 C GLU A 99 6.043 14.251 1.939 1.00 0.00 C ATOM 1556 O GLU A 99 6.406 15.310 1.430 1.00 0.00 O ATOM 1557 CB GLU A 99 8.436 14.000 2.634 1.00 0.00 C ATOM 1558 CG GLU A 99 9.486 13.235 3.421 1.00 0.00 C ATOM 1559 CD GLU A 99 10.764 14.025 3.604 1.00 0.00 C ATOM 1560 OE1 GLU A 99 10.807 14.887 4.507 1.00 0.00 O ATOM 1561 OE2 GLU A 99 11.735 13.792 2.853 1.00 0.00 O ATOM 0 H GLU A 99 7.826 11.853 1.436 1.00 0.00 H new ATOM 0 HA GLU A 99 6.709 13.272 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.758 14.078 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.371 15.016 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.082 12.972 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.711 12.300 2.907 1.00 0.00 H new ATOM 1568 N LEU A 100 4.786 13.829 1.887 1.00 0.00 N ATOM 1569 CA LEU A 100 3.732 14.663 1.308 1.00 0.00 C ATOM 1570 C LEU A 100 3.196 15.619 2.365 1.00 0.00 C ATOM 1571 O LEU A 100 3.095 16.824 2.125 1.00 0.00 O ATOM 1572 CB LEU A 100 2.570 13.822 0.754 1.00 0.00 C ATOM 1573 CG LEU A 100 2.890 12.930 -0.452 1.00 0.00 C ATOM 1574 CD1 LEU A 100 3.695 11.713 -0.032 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.608 12.502 -1.149 1.00 0.00 C ATOM 0 H LEU A 100 4.470 12.924 2.234 1.00 0.00 H new ATOM 0 HA LEU A 100 4.172 15.218 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.193 13.189 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.762 14.498 0.475 1.00 0.00 H new ATOM 0 HG LEU A 100 3.493 13.510 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.908 11.098 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.632 12.036 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.124 11.131 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.852 11.870 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.983 11.945 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.069 13.385 -1.493 1.00 0.00 H new ATOM 1587 N LYS A 101 2.870 15.060 3.532 1.00 0.00 N ATOM 1588 CA LYS A 101 2.322 15.812 4.666 1.00 0.00 C ATOM 1589 C LYS A 101 0.912 16.324 4.387 1.00 0.00 C ATOM 1590 O LYS A 101 0.640 16.925 3.345 1.00 0.00 O ATOM 1591 CB LYS A 101 3.251 16.960 5.067 1.00 0.00 C ATOM 1592 CG LYS A 101 4.548 16.474 5.688 1.00 0.00 C ATOM 1593 CD LYS A 101 4.285 15.726 6.985 1.00 0.00 C ATOM 1594 CE LYS A 101 5.538 15.055 7.514 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.311 14.454 8.856 1.00 0.00 N ATOM 0 H LYS A 101 2.979 14.063 3.720 1.00 0.00 H new ATOM 0 HA LYS A 101 2.254 15.119 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.477 17.563 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.735 17.609 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.069 15.822 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.204 17.323 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.901 16.420 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.512 14.975 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.859 14.281 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.345 15.785 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.188 14.004 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.029 15.198 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.557 13.740 8.794 1.00 0.00 H new ATOM 1609 N TYR A 102 0.014 16.074 5.331 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.381 16.464 5.184 1.00 0.00 C ATOM 1611 C TYR A 102 -1.579 17.939 5.520 1.00 0.00 C ATOM 1612 O TYR A 102 -2.202 18.271 6.531 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.276 15.604 6.078 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.172 14.121 5.806 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -2.369 13.616 4.529 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.882 13.227 6.827 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -2.282 12.262 4.276 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -1.790 11.870 6.582 1.00 0.00 C ATOM 1619 CZ TYR A 102 -1.992 11.392 5.306 1.00 0.00 C ATOM 1620 OH TYR A 102 -1.907 10.042 5.057 1.00 0.00 O ATOM 0 H TYR A 102 0.228 15.601 6.209 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.661 16.307 4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.018 15.791 7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.312 15.916 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.594 14.294 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.726 13.598 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.440 11.886 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.561 11.188 7.387 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.669 9.584 5.471 1.00 0.00 H new