USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 97 GLN : amide:sc= -1.67 K(o=-3.1,f=-9.2!) USER MOD Set 1.2: A 103 SER OG : rot -100:sc= -1.46 USER MOD Set 2.1: A 34 SER OG : rot 84:sc= 0.0866 USER MOD Set 2.2: A 89 SER OG : rot 74:sc= -1.46 USER MOD Set 3.1: A 12 CYS SG : rot 21:sc= -3.28! USER MOD Set 3.2: A 126 HIS : no HD1:sc= -3.09! C(o=-6.4!,f=-7.4!) USER MOD Single : A 9 SER OG : rot 20:sc= 0.06! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 82:sc= 1.15 USER MOD Single : A 20 TYR OH : rot 30:sc= -1.35! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 51 SER OG : rot 170:sc= -0.58 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0519) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0.504 (180deg=-0.0131) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 61:sc= 1.18 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 95:sc= -0.227 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 120 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.89) USER MOD Single : A 122 SER OG : rot 88:sc= 1.26 USER MOD Single : A 124 GLN : amide:sc= -2.25 X(o=-2.2,f=-1.8) USER MOD Single : A 128 LYS NZ :NH3+ 167:sc= -0.213 (180deg=-0.471) USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 3.764 15.154 4.069 1.00 0.00 N ATOM 126 CA SER A 9 2.668 14.217 4.266 1.00 0.00 C ATOM 127 C SER A 9 2.465 13.373 3.017 1.00 0.00 C ATOM 128 O SER A 9 2.361 13.897 1.908 1.00 0.00 O ATOM 129 CB SER A 9 1.376 14.956 4.619 1.00 0.00 C ATOM 130 OG SER A 9 0.834 15.610 3.485 1.00 0.00 O ATOM 0 HA SER A 9 2.926 13.561 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.647 14.250 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.574 15.687 5.403 1.00 0.00 H new ATOM 0 HG SER A 9 1.203 15.210 2.670 1.00 0.00 H new ATOM 136 N VAL A 10 2.430 12.064 3.204 1.00 0.00 N ATOM 137 CA VAL A 10 2.263 11.129 2.101 1.00 0.00 C ATOM 138 C VAL A 10 0.945 11.361 1.321 1.00 0.00 C ATOM 139 O VAL A 10 0.938 11.306 0.091 1.00 0.00 O ATOM 140 CB VAL A 10 2.380 9.682 2.637 1.00 0.00 C ATOM 141 CG1 VAL A 10 1.028 9.043 2.900 1.00 0.00 C ATOM 142 CG2 VAL A 10 3.225 8.836 1.700 1.00 0.00 C ATOM 0 H VAL A 10 2.516 11.620 4.118 1.00 0.00 H new ATOM 0 HA VAL A 10 3.059 11.301 1.377 1.00 0.00 H new ATOM 0 HB VAL A 10 2.881 9.734 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.171 8.029 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.486 9.630 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.455 9.010 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.297 7.821 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.762 8.812 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.223 9.267 1.622 1.00 0.00 H new ATOM 152 N LEU A 11 -0.153 11.638 2.033 1.00 0.00 N ATOM 153 CA LEU A 11 -1.460 11.906 1.416 1.00 0.00 C ATOM 154 C LEU A 11 -1.842 10.909 0.322 1.00 0.00 C ATOM 155 O LEU A 11 -2.543 11.260 -0.626 1.00 0.00 O ATOM 156 CB LEU A 11 -1.526 13.338 0.856 1.00 0.00 C ATOM 157 CG LEU A 11 -0.447 13.733 -0.165 1.00 0.00 C ATOM 158 CD1 LEU A 11 -0.760 13.148 -1.535 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.340 15.249 -0.256 1.00 0.00 C ATOM 0 H LEU A 11 -0.162 11.683 3.052 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.187 11.789 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.502 13.476 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.472 14.033 1.694 1.00 0.00 H new ATOM 0 HG LEU A 11 0.508 13.329 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.017 13.440 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.798 12.061 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.724 13.523 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.427 15.517 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.298 15.663 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.073 15.654 0.720 1.00 0.00 H new ATOM 171 N CYS A 12 -1.401 9.667 0.456 1.00 0.00 N ATOM 172 CA CYS A 12 -1.725 8.643 -0.531 1.00 0.00 C ATOM 173 C CYS A 12 -3.138 8.109 -0.317 1.00 0.00 C ATOM 174 O CYS A 12 -3.607 7.998 0.816 1.00 0.00 O ATOM 175 CB CYS A 12 -0.722 7.493 -0.474 1.00 0.00 C ATOM 176 SG CYS A 12 1.004 8.007 -0.606 1.00 0.00 S ATOM 0 H CYS A 12 -0.822 9.344 1.231 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.671 9.106 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.858 6.954 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.943 6.793 -1.280 1.00 0.00 H new ATOM 0 HG CYS A 12 1.107 9.265 -0.294 1.00 0.00 H new ATOM 182 N VAL A 13 -3.811 7.787 -1.416 1.00 0.00 N ATOM 183 CA VAL A 13 -5.173 7.270 -1.367 1.00 0.00 C ATOM 184 C VAL A 13 -5.539 6.601 -2.693 1.00 0.00 C ATOM 185 O VAL A 13 -4.890 6.843 -3.712 1.00 0.00 O ATOM 186 CB VAL A 13 -6.175 8.404 -1.049 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.244 9.403 -2.196 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.555 7.851 -0.722 1.00 0.00 C ATOM 0 H VAL A 13 -3.431 7.876 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.227 6.526 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.814 8.928 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.955 10.191 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.259 9.840 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.568 8.893 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.235 8.675 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.932 7.286 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.488 7.196 0.146 1.00 0.00 H new ATOM 198 N LYS A 14 -6.573 5.766 -2.680 1.00 0.00 N ATOM 199 CA LYS A 14 -7.011 5.076 -3.885 1.00 0.00 C ATOM 200 C LYS A 14 -8.295 4.289 -3.632 1.00 0.00 C ATOM 201 O LYS A 14 -8.258 3.160 -3.143 1.00 0.00 O ATOM 202 CB LYS A 14 -5.924 4.130 -4.390 1.00 0.00 C ATOM 203 CG LYS A 14 -6.141 3.681 -5.825 1.00 0.00 C ATOM 204 CD LYS A 14 -6.087 4.858 -6.784 1.00 0.00 C ATOM 205 CE LYS A 14 -5.015 4.667 -7.842 1.00 0.00 C ATOM 206 NZ LYS A 14 -5.303 5.458 -9.068 1.00 0.00 N ATOM 0 H LYS A 14 -7.122 5.552 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.208 5.833 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.956 4.625 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.885 3.253 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.380 2.950 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.107 3.183 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.057 4.980 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.890 5.774 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.047 4.963 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.943 3.610 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.549 5.302 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.214 5.158 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.347 6.469 -8.827 1.00 0.00 H new ATOM 220 N PRO A 15 -9.450 4.886 -3.966 1.00 0.00 N ATOM 221 CA PRO A 15 -10.758 4.252 -3.782 1.00 0.00 C ATOM 222 C PRO A 15 -11.008 3.121 -4.776 1.00 0.00 C ATOM 223 O PRO A 15 -11.840 2.245 -4.537 1.00 0.00 O ATOM 224 CB PRO A 15 -11.739 5.405 -4.009 1.00 0.00 C ATOM 225 CG PRO A 15 -11.019 6.351 -4.904 1.00 0.00 C ATOM 226 CD PRO A 15 -9.565 6.234 -4.553 1.00 0.00 C ATOM 0 HA PRO A 15 -10.851 3.781 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.663 5.053 -4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.012 5.882 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.188 6.101 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.374 7.371 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.931 6.342 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.261 7.005 -3.845 1.00 0.00 H new ATOM 234 N ASP A 16 -10.282 3.135 -5.885 1.00 0.00 N ATOM 235 CA ASP A 16 -10.438 2.104 -6.906 1.00 0.00 C ATOM 236 C ASP A 16 -9.229 1.178 -6.930 1.00 0.00 C ATOM 237 O ASP A 16 -8.279 1.396 -7.679 1.00 0.00 O ATOM 238 CB ASP A 16 -10.632 2.738 -8.288 1.00 0.00 C ATOM 239 CG ASP A 16 -9.629 3.841 -8.577 1.00 0.00 C ATOM 240 OD1 ASP A 16 -9.884 4.996 -8.177 1.00 0.00 O ATOM 241 OD2 ASP A 16 -8.594 3.549 -9.213 1.00 0.00 O ATOM 0 H ASP A 16 -9.582 3.844 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.323 1.519 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.545 1.966 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.641 3.144 -8.358 1.00 0.00 H new ATOM 246 N VAL A 17 -9.276 0.141 -6.100 1.00 0.00 N ATOM 247 CA VAL A 17 -8.187 -0.822 -6.018 1.00 0.00 C ATOM 248 C VAL A 17 -8.611 -2.065 -5.245 1.00 0.00 C ATOM 249 O VAL A 17 -9.636 -2.064 -4.563 1.00 0.00 O ATOM 250 CB VAL A 17 -6.942 -0.195 -5.349 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.024 -0.289 -3.830 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.670 -0.853 -5.862 1.00 0.00 C ATOM 0 H VAL A 17 -10.058 -0.053 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.932 -1.112 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.915 0.862 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.134 0.160 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.910 0.241 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.087 -1.336 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.805 -0.398 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.694 -1.919 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.598 -0.714 -6.941 1.00 0.00 H new ATOM 262 N SER A 18 -7.813 -3.121 -5.342 1.00 0.00 N ATOM 263 CA SER A 18 -8.107 -4.358 -4.636 1.00 0.00 C ATOM 264 C SER A 18 -6.940 -4.735 -3.735 1.00 0.00 C ATOM 265 O SER A 18 -5.779 -4.658 -4.134 1.00 0.00 O ATOM 266 CB SER A 18 -8.418 -5.487 -5.620 1.00 0.00 C ATOM 267 OG SER A 18 -9.631 -5.239 -6.308 1.00 0.00 O ATOM 0 H SER A 18 -6.960 -3.144 -5.901 1.00 0.00 H new ATOM 0 HA SER A 18 -8.990 -4.202 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.602 -5.585 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.487 -6.433 -5.084 1.00 0.00 H new ATOM 0 HG SER A 18 -9.463 -4.630 -7.057 1.00 0.00 H new ATOM 273 N VAL A 19 -7.255 -5.119 -2.508 1.00 0.00 N ATOM 274 CA VAL A 19 -6.233 -5.484 -1.540 1.00 0.00 C ATOM 275 C VAL A 19 -6.345 -6.960 -1.153 1.00 0.00 C ATOM 276 O VAL A 19 -7.429 -7.542 -1.182 1.00 0.00 O ATOM 277 CB VAL A 19 -6.322 -4.581 -0.289 1.00 0.00 C ATOM 278 CG1 VAL A 19 -7.773 -4.292 0.066 1.00 0.00 C ATOM 279 CG2 VAL A 19 -5.583 -5.194 0.893 1.00 0.00 C ATOM 0 H VAL A 19 -8.211 -5.186 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.258 -5.333 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.835 -3.635 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.811 -3.655 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.258 -3.785 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.291 -5.229 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.666 -4.533 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.022 -6.162 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.532 -5.326 0.636 1.00 0.00 H new ATOM 289 N TYR A 20 -5.208 -7.559 -0.813 1.00 0.00 N ATOM 290 CA TYR A 20 -5.157 -8.971 -0.442 1.00 0.00 C ATOM 291 C TYR A 20 -4.921 -9.148 1.057 1.00 0.00 C ATOM 292 O TYR A 20 -4.139 -8.416 1.665 1.00 0.00 O ATOM 293 CB TYR A 20 -4.048 -9.665 -1.241 1.00 0.00 C ATOM 294 CG TYR A 20 -3.617 -11.004 -0.686 1.00 0.00 C ATOM 295 CD1 TYR A 20 -4.359 -12.154 -0.921 1.00 0.00 C ATOM 296 CD2 TYR A 20 -2.455 -11.115 0.061 1.00 0.00 C ATOM 297 CE1 TYR A 20 -3.951 -13.377 -0.425 1.00 0.00 C ATOM 298 CE2 TYR A 20 -2.042 -12.332 0.563 1.00 0.00 C ATOM 299 CZ TYR A 20 -2.794 -13.461 0.315 1.00 0.00 C ATOM 300 OH TYR A 20 -2.392 -14.681 0.808 1.00 0.00 O ATOM 0 H TYR A 20 -4.304 -7.086 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.119 -9.425 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.390 -9.804 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.180 -9.007 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.268 -12.091 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.862 -10.233 0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.538 -14.263 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.136 -12.400 1.146 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.696 -15.393 0.207 1.00 0.00 H new ATOM 310 N ARG A 21 -5.594 -10.136 1.640 1.00 0.00 N ATOM 311 CA ARG A 21 -5.453 -10.430 3.063 1.00 0.00 C ATOM 312 C ARG A 21 -5.249 -11.920 3.282 1.00 0.00 C ATOM 313 O ARG A 21 -5.585 -12.738 2.426 1.00 0.00 O ATOM 314 CB ARG A 21 -6.684 -9.970 3.848 1.00 0.00 C ATOM 315 CG ARG A 21 -7.975 -10.650 3.417 1.00 0.00 C ATOM 316 CD ARG A 21 -9.046 -10.544 4.492 1.00 0.00 C ATOM 317 NE ARG A 21 -10.366 -10.273 3.926 1.00 0.00 N ATOM 318 CZ ARG A 21 -10.954 -9.076 3.944 1.00 0.00 C ATOM 319 NH1 ARG A 21 -10.344 -8.033 4.492 1.00 0.00 N ATOM 320 NH2 ARG A 21 -12.160 -8.920 3.411 1.00 0.00 N ATOM 0 H ARG A 21 -6.244 -10.748 1.147 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.581 -9.885 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.520 -10.161 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.796 -8.892 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.337 -10.195 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.779 -11.700 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.080 -11.472 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.781 -9.750 5.190 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.868 -11.047 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.417 -8.143 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.802 -7.121 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.637 -9.716 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.609 -8.004 3.425 1.00 0.00 H new ATOM 334 N ILE A 22 -4.698 -12.267 4.436 1.00 0.00 N ATOM 335 CA ILE A 22 -4.454 -13.659 4.775 1.00 0.00 C ATOM 336 C ILE A 22 -4.920 -13.947 6.194 1.00 0.00 C ATOM 337 O ILE A 22 -4.713 -13.132 7.092 1.00 0.00 O ATOM 338 CB ILE A 22 -2.959 -14.026 4.668 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.298 -13.314 3.484 1.00 0.00 C ATOM 340 CG2 ILE A 22 -2.797 -15.533 4.550 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.191 -12.370 3.895 1.00 0.00 C ATOM 0 H ILE A 22 -4.411 -11.601 5.154 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.015 -14.261 4.060 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.458 -13.691 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.894 -14.060 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.057 -12.756 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.738 -15.780 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.221 -16.015 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.316 -15.886 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.766 -11.899 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.594 -11.602 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.413 -12.927 4.418 1.00 0.00 H new ATOM 492 N ARG A 32 7.399 -15.912 -5.506 1.00 0.00 N ATOM 493 CA ARG A 32 6.663 -16.713 -6.482 1.00 0.00 C ATOM 494 C ARG A 32 5.156 -16.533 -6.306 1.00 0.00 C ATOM 495 O ARG A 32 4.444 -17.464 -5.931 1.00 0.00 O ATOM 496 CB ARG A 32 7.048 -18.195 -6.362 1.00 0.00 C ATOM 497 CG ARG A 32 7.782 -18.733 -7.583 1.00 0.00 C ATOM 498 CD ARG A 32 9.288 -18.766 -7.368 1.00 0.00 C ATOM 499 NE ARG A 32 9.995 -17.918 -8.326 1.00 0.00 N ATOM 500 CZ ARG A 32 11.269 -18.089 -8.675 1.00 0.00 C ATOM 501 NH1 ARG A 32 11.985 -19.074 -8.147 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.830 -17.272 -9.556 1.00 0.00 N ATOM 0 HA ARG A 32 6.932 -16.367 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.677 -18.329 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.146 -18.785 -6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.425 -19.738 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.552 -18.112 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.517 -18.437 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.645 -19.792 -7.459 1.00 0.00 H new ATOM 0 HE ARG A 32 9.481 -17.148 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.560 -19.707 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.960 -19.198 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.286 -16.513 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.806 -17.403 -9.823 1.00 0.00 H new ATOM 516 N ALA A 33 4.680 -15.322 -6.580 1.00 0.00 N ATOM 517 CA ALA A 33 3.262 -15.006 -6.453 1.00 0.00 C ATOM 518 C ALA A 33 2.415 -15.880 -7.367 1.00 0.00 C ATOM 519 O ALA A 33 1.349 -16.356 -6.978 1.00 0.00 O ATOM 520 CB ALA A 33 3.025 -13.543 -6.771 1.00 0.00 C ATOM 0 H ALA A 33 5.258 -14.542 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 33 2.964 -15.206 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.963 -13.317 -6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.593 -12.923 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.348 -13.335 -7.791 1.00 0.00 H new ATOM 526 N SER A 34 2.899 -16.091 -8.586 1.00 0.00 N ATOM 527 CA SER A 34 2.189 -16.914 -9.556 1.00 0.00 C ATOM 528 C SER A 34 1.879 -18.292 -8.974 1.00 0.00 C ATOM 529 O SER A 34 0.973 -18.985 -9.439 1.00 0.00 O ATOM 530 CB SER A 34 3.028 -17.070 -10.826 1.00 0.00 C ATOM 531 OG SER A 34 2.291 -17.704 -11.859 1.00 0.00 O ATOM 0 H SER A 34 3.780 -15.703 -8.925 1.00 0.00 H new ATOM 0 HA SER A 34 1.249 -16.419 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.363 -16.090 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.922 -17.653 -10.604 1.00 0.00 H new ATOM 0 HG SER A 34 1.753 -17.037 -12.334 1.00 0.00 H new ATOM 537 N ASP A 35 2.634 -18.676 -7.948 1.00 0.00 N ATOM 538 CA ASP A 35 2.444 -19.962 -7.294 1.00 0.00 C ATOM 539 C ASP A 35 1.570 -19.831 -6.049 1.00 0.00 C ATOM 540 O ASP A 35 0.987 -20.813 -5.589 1.00 0.00 O ATOM 541 CB ASP A 35 3.795 -20.576 -6.924 1.00 0.00 C ATOM 542 CG ASP A 35 4.403 -21.359 -8.070 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.064 -22.552 -8.221 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.219 -20.779 -8.818 1.00 0.00 O ATOM 0 H ASP A 35 3.385 -18.111 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 35 1.933 -20.619 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.481 -19.784 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.670 -21.233 -6.064 1.00 0.00 H new ATOM 549 N TRP A 36 1.489 -18.622 -5.496 1.00 0.00 N ATOM 550 CA TRP A 36 0.689 -18.398 -4.297 1.00 0.00 C ATOM 551 C TRP A 36 -0.791 -18.288 -4.645 1.00 0.00 C ATOM 552 O TRP A 36 -1.633 -18.912 -3.998 1.00 0.00 O ATOM 553 CB TRP A 36 1.170 -17.141 -3.565 1.00 0.00 C ATOM 554 CG TRP A 36 0.711 -17.046 -2.139 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.316 -15.911 -1.493 1.00 0.00 C ATOM 556 CD2 TRP A 36 0.606 -18.109 -1.176 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.028 -16.199 -0.197 1.00 0.00 N ATOM 558 CE2 TRP A 36 0.137 -17.538 0.023 1.00 0.00 C ATOM 559 CE3 TRP A 36 0.858 -19.485 -1.208 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -0.084 -18.291 1.173 1.00 0.00 C ATOM 561 CZ3 TRP A 36 0.638 -20.230 -0.064 1.00 0.00 C ATOM 562 CH2 TRP A 36 0.170 -19.631 1.112 1.00 0.00 C ATOM 0 H TRP A 36 1.962 -17.793 -5.855 1.00 0.00 H new ATOM 0 HA TRP A 36 0.815 -19.254 -3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.259 -17.116 -3.587 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.820 -16.262 -4.107 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.279 -14.928 -1.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.355 -15.522 0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.218 -19.957 -2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.444 -17.831 2.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.831 -21.293 -0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.007 -20.241 1.988 1.00 0.00 H new ATOM 573 N LYS A 37 -1.106 -17.503 -5.673 1.00 0.00 N ATOM 574 CA LYS A 37 -2.490 -17.327 -6.106 1.00 0.00 C ATOM 575 C LYS A 37 -3.391 -16.956 -4.930 1.00 0.00 C ATOM 576 O LYS A 37 -2.945 -16.913 -3.784 1.00 0.00 O ATOM 577 CB LYS A 37 -2.997 -18.608 -6.769 1.00 0.00 C ATOM 578 CG LYS A 37 -2.593 -18.738 -8.227 1.00 0.00 C ATOM 579 CD LYS A 37 -3.367 -17.769 -9.105 1.00 0.00 C ATOM 580 CE LYS A 37 -4.337 -18.500 -10.017 1.00 0.00 C ATOM 581 NZ LYS A 37 -5.318 -17.571 -10.638 1.00 0.00 N ATOM 0 H LYS A 37 -0.423 -16.980 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.520 -16.511 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.617 -19.468 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.084 -18.639 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.524 -18.549 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.770 -19.759 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.915 -17.066 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.670 -17.185 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.781 -19.017 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.868 -19.262 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.963 -18.107 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.866 -17.096 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.812 -16.859 -11.203 1.00 0.00 H new ATOM 595 N LEU A 38 -4.660 -16.678 -5.216 1.00 0.00 N ATOM 596 CA LEU A 38 -5.606 -16.305 -4.167 1.00 0.00 C ATOM 597 C LEU A 38 -6.979 -15.954 -4.743 1.00 0.00 C ATOM 598 O LEU A 38 -7.227 -14.810 -5.127 1.00 0.00 O ATOM 599 CB LEU A 38 -5.060 -15.121 -3.371 1.00 0.00 C ATOM 600 CG LEU A 38 -4.531 -13.960 -4.217 1.00 0.00 C ATOM 601 CD1 LEU A 38 -5.394 -12.720 -4.025 1.00 0.00 C ATOM 602 CD2 LEU A 38 -3.078 -13.660 -3.871 1.00 0.00 C ATOM 0 H LEU A 38 -5.055 -16.703 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.729 -17.165 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.849 -14.746 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.256 -15.476 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.579 -14.253 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.002 -11.906 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.418 -12.939 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.381 -12.426 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.722 -12.832 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.003 -13.391 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.468 -14.543 -4.064 1.00 0.00 H new ATOM 614 N ASP A 39 -7.867 -16.943 -4.794 1.00 0.00 N ATOM 615 CA ASP A 39 -9.219 -16.738 -5.317 1.00 0.00 C ATOM 616 C ASP A 39 -10.194 -16.333 -4.210 1.00 0.00 C ATOM 617 O ASP A 39 -11.258 -15.775 -4.484 1.00 0.00 O ATOM 618 CB ASP A 39 -9.727 -18.007 -6.006 1.00 0.00 C ATOM 619 CG ASP A 39 -9.408 -19.264 -5.223 1.00 0.00 C ATOM 620 OD1 ASP A 39 -9.302 -19.179 -3.981 1.00 0.00 O ATOM 621 OD2 ASP A 39 -9.261 -20.335 -5.850 1.00 0.00 O ATOM 0 H ASP A 39 -7.677 -17.895 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.166 -15.927 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.806 -17.934 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.283 -18.079 -6.999 1.00 0.00 H new ATOM 626 N GLN A 40 -9.836 -16.625 -2.963 1.00 0.00 N ATOM 627 CA GLN A 40 -10.694 -16.299 -1.829 1.00 0.00 C ATOM 628 C GLN A 40 -10.523 -14.843 -1.397 1.00 0.00 C ATOM 629 O GLN A 40 -11.484 -14.075 -1.407 1.00 0.00 O ATOM 630 CB GLN A 40 -10.400 -17.233 -0.652 1.00 0.00 C ATOM 631 CG GLN A 40 -11.061 -18.596 -0.778 1.00 0.00 C ATOM 632 CD GLN A 40 -10.250 -19.702 -0.131 1.00 0.00 C ATOM 633 OE1 GLN A 40 -9.084 -19.513 0.215 1.00 0.00 O ATOM 634 NE2 GLN A 40 -10.868 -20.866 0.036 1.00 0.00 N ATOM 0 H GLN A 40 -8.961 -17.085 -2.713 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.728 -16.437 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.322 -17.368 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.736 -16.759 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.049 -18.560 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.208 -18.828 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.836 -20.978 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.375 -21.648 0.466 1.00 0.00 H new ATOM 643 N PRO A 41 -9.300 -14.435 -1.007 1.00 0.00 N ATOM 644 CA PRO A 41 -9.044 -13.057 -0.573 1.00 0.00 C ATOM 645 C PRO A 41 -9.187 -12.058 -1.727 1.00 0.00 C ATOM 646 O PRO A 41 -10.053 -12.232 -2.584 1.00 0.00 O ATOM 647 CB PRO A 41 -7.613 -13.112 -0.028 1.00 0.00 C ATOM 648 CG PRO A 41 -6.985 -14.272 -0.711 1.00 0.00 C ATOM 649 CD PRO A 41 -8.085 -15.269 -0.957 1.00 0.00 C ATOM 0 HA PRO A 41 -9.760 -12.709 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.074 -12.189 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.608 -13.241 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.522 -13.966 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.198 -14.706 -0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.933 -15.813 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.140 -16.011 -0.160 1.00 0.00 H new ATOM 657 N ASP A 42 -8.358 -11.011 -1.754 1.00 0.00 N ATOM 658 CA ASP A 42 -8.438 -10.009 -2.811 1.00 0.00 C ATOM 659 C ASP A 42 -9.756 -9.248 -2.717 1.00 0.00 C ATOM 660 O ASP A 42 -10.578 -9.284 -3.632 1.00 0.00 O ATOM 661 CB ASP A 42 -8.297 -10.660 -4.189 1.00 0.00 C ATOM 662 CG ASP A 42 -7.640 -9.738 -5.199 1.00 0.00 C ATOM 663 OD1 ASP A 42 -7.676 -8.507 -4.991 1.00 0.00 O ATOM 664 OD2 ASP A 42 -7.090 -10.248 -6.198 1.00 0.00 O ATOM 0 H ASP A 42 -7.630 -10.839 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.615 -9.306 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.709 -11.573 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.282 -10.951 -4.553 1.00 0.00 H new ATOM 669 N TRP A 43 -9.947 -8.565 -1.594 1.00 0.00 N ATOM 670 CA TRP A 43 -11.165 -7.792 -1.358 1.00 0.00 C ATOM 671 C TRP A 43 -11.108 -6.448 -2.078 1.00 0.00 C ATOM 672 O TRP A 43 -10.036 -5.996 -2.481 1.00 0.00 O ATOM 673 CB TRP A 43 -11.411 -7.586 0.152 1.00 0.00 C ATOM 674 CG TRP A 43 -10.176 -7.380 0.974 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.190 -8.291 1.213 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.816 -6.197 1.702 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.230 -7.742 2.023 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.593 -6.465 2.343 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.405 -4.941 1.868 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.948 -5.521 3.141 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.767 -4.004 2.660 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.549 -4.299 3.289 1.00 0.00 C ATOM 0 H TRP A 43 -9.273 -8.530 -0.829 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.001 -8.362 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.064 -6.724 0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.946 -8.453 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.169 -9.297 0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.381 -8.212 2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.342 -4.706 1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.009 -5.745 3.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.214 -3.030 2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.075 -3.547 3.903 1.00 0.00 H new ATOM 693 N THR A 44 -12.265 -5.805 -2.228 1.00 0.00 N ATOM 694 CA THR A 44 -12.335 -4.508 -2.891 1.00 0.00 C ATOM 695 C THR A 44 -12.644 -3.404 -1.880 1.00 0.00 C ATOM 696 O THR A 44 -13.559 -3.533 -1.068 1.00 0.00 O ATOM 697 CB THR A 44 -13.393 -4.525 -3.999 1.00 0.00 C ATOM 698 OG1 THR A 44 -13.445 -3.273 -4.665 1.00 0.00 O ATOM 699 CG2 THR A 44 -14.788 -4.845 -3.499 1.00 0.00 C ATOM 0 H THR A 44 -13.163 -6.161 -1.900 1.00 0.00 H new ATOM 0 HA THR A 44 -11.364 -4.303 -3.342 1.00 0.00 H new ATOM 0 HB THR A 44 -13.083 -5.319 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.125 -3.305 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.485 -4.840 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.790 -5.830 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.093 -4.096 -2.768 1.00 0.00 H new ATOM 707 N GLY A 45 -11.870 -2.320 -1.929 1.00 0.00 N ATOM 708 CA GLY A 45 -12.083 -1.221 -1.001 1.00 0.00 C ATOM 709 C GLY A 45 -11.169 -0.038 -1.260 1.00 0.00 C ATOM 710 O GLY A 45 -10.342 -0.066 -2.171 1.00 0.00 O ATOM 0 H GLY A 45 -11.105 -2.184 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.120 -0.893 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.926 -1.577 0.017 1.00 0.00 H new ATOM 714 N ARG A 46 -11.320 1.007 -0.448 1.00 0.00 N ATOM 715 CA ARG A 46 -10.506 2.213 -0.582 1.00 0.00 C ATOM 716 C ARG A 46 -9.403 2.239 0.469 1.00 0.00 C ATOM 717 O ARG A 46 -9.678 2.198 1.668 1.00 0.00 O ATOM 718 CB ARG A 46 -11.372 3.475 -0.440 1.00 0.00 C ATOM 719 CG ARG A 46 -10.570 4.776 -0.442 1.00 0.00 C ATOM 720 CD ARG A 46 -11.402 5.973 0.010 1.00 0.00 C ATOM 721 NE ARG A 46 -12.792 5.897 -0.441 1.00 0.00 N ATOM 722 CZ ARG A 46 -13.447 6.906 -1.014 1.00 0.00 C ATOM 723 NH1 ARG A 46 -12.841 8.068 -1.238 1.00 0.00 N ATOM 724 NH2 ARG A 46 -14.717 6.753 -1.369 1.00 0.00 N ATOM 0 H ARG A 46 -12.000 1.042 0.311 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.056 2.199 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.094 3.503 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.941 3.411 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.707 4.668 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.186 4.962 -1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.380 6.035 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.950 6.889 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.290 5.017 -0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.865 8.194 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.352 8.833 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.189 5.864 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.220 7.524 -1.808 1.00 0.00 H new ATOM 738 N LEU A 47 -8.159 2.337 0.019 1.00 0.00 N ATOM 739 CA LEU A 47 -7.030 2.405 0.935 1.00 0.00 C ATOM 740 C LEU A 47 -6.389 3.776 0.855 1.00 0.00 C ATOM 741 O LEU A 47 -6.395 4.414 -0.197 1.00 0.00 O ATOM 742 CB LEU A 47 -5.981 1.327 0.636 1.00 0.00 C ATOM 743 CG LEU A 47 -5.683 1.076 -0.843 1.00 0.00 C ATOM 744 CD1 LEU A 47 -4.747 2.147 -1.384 1.00 0.00 C ATOM 745 CD2 LEU A 47 -5.075 -0.309 -1.028 1.00 0.00 C ATOM 0 H LEU A 47 -7.908 2.371 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.410 2.227 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.051 1.605 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.313 0.390 1.084 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.618 1.123 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.544 1.955 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.214 3.126 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.811 2.128 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.867 -0.477 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.147 -0.378 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.775 -1.064 -0.672 1.00 0.00 H new ATOM 757 N ARG A 48 -5.840 4.234 1.964 1.00 0.00 N ATOM 758 CA ARG A 48 -5.198 5.534 1.994 1.00 0.00 C ATOM 759 C ARG A 48 -4.266 5.645 3.183 1.00 0.00 C ATOM 760 O ARG A 48 -4.323 4.835 4.108 1.00 0.00 O ATOM 761 CB ARG A 48 -6.242 6.654 2.027 1.00 0.00 C ATOM 762 CG ARG A 48 -7.186 6.596 3.217 1.00 0.00 C ATOM 763 CD ARG A 48 -7.584 7.991 3.683 1.00 0.00 C ATOM 764 NE ARG A 48 -7.252 8.202 5.090 1.00 0.00 N ATOM 765 CZ ARG A 48 -6.079 8.665 5.513 1.00 0.00 C ATOM 766 NH1 ARG A 48 -5.170 9.090 4.644 1.00 0.00 N ATOM 767 NH2 ARG A 48 -5.821 8.730 6.813 1.00 0.00 N ATOM 0 H ARG A 48 -5.825 3.729 2.850 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.608 5.640 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.727 7.615 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.830 6.614 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.079 6.033 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.707 6.060 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.076 8.738 3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.655 8.133 3.536 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.961 7.981 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.369 9.063 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.273 9.444 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.522 8.425 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.921 9.085 7.137 1.00 0.00 H new ATOM 781 N ILE A 49 -3.400 6.644 3.149 1.00 0.00 N ATOM 782 CA ILE A 49 -2.448 6.845 4.229 1.00 0.00 C ATOM 783 C ILE A 49 -2.032 8.310 4.337 1.00 0.00 C ATOM 784 O ILE A 49 -2.097 9.057 3.361 1.00 0.00 O ATOM 785 CB ILE A 49 -1.211 5.946 4.040 1.00 0.00 C ATOM 786 CG1 ILE A 49 -0.540 6.224 2.696 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.624 4.483 4.130 1.00 0.00 C ATOM 788 CD1 ILE A 49 0.931 5.881 2.676 1.00 0.00 C ATOM 0 H ILE A 49 -3.336 7.324 2.391 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.941 6.566 5.161 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.493 6.167 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.049 5.653 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.663 7.278 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.748 3.849 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.066 4.289 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.354 4.262 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.343 6.103 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.452 6.471 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.060 4.821 2.892 1.00 0.00 H new ATOM 800 N THR A 50 -1.608 8.711 5.534 1.00 0.00 N ATOM 801 CA THR A 50 -1.185 10.092 5.782 1.00 0.00 C ATOM 802 C THR A 50 -0.387 10.203 7.078 1.00 0.00 C ATOM 803 O THR A 50 -0.150 9.209 7.765 1.00 0.00 O ATOM 804 CB THR A 50 -2.390 11.041 5.834 1.00 0.00 C ATOM 805 OG1 THR A 50 -1.954 12.393 5.810 1.00 0.00 O ATOM 806 CG2 THR A 50 -3.261 10.858 7.063 1.00 0.00 C ATOM 0 H THR A 50 -1.547 8.101 6.349 1.00 0.00 H new ATOM 0 HA THR A 50 -0.544 10.385 4.951 1.00 0.00 H new ATOM 0 HB THR A 50 -2.989 10.795 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.732 12.988 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.091 11.563 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.650 9.840 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.668 11.039 7.959 1.00 0.00 H new ATOM 814 N SER A 51 0.031 11.423 7.402 1.00 0.00 N ATOM 815 CA SER A 51 0.810 11.670 8.609 1.00 0.00 C ATOM 816 C SER A 51 0.611 13.101 9.108 1.00 0.00 C ATOM 817 O SER A 51 0.648 14.051 8.327 1.00 0.00 O ATOM 818 CB SER A 51 2.290 11.412 8.327 1.00 0.00 C ATOM 819 OG SER A 51 2.470 10.184 7.642 1.00 0.00 O ATOM 0 H SER A 51 -0.157 12.256 6.844 1.00 0.00 H new ATOM 0 HA SER A 51 0.465 10.991 9.388 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.698 12.228 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.845 11.394 9.265 1.00 0.00 H new ATOM 0 HG SER A 51 3.397 10.116 7.331 1.00 0.00 H new ATOM 825 N LYS A 52 0.401 13.248 10.414 1.00 0.00 N ATOM 826 CA LYS A 52 0.198 14.564 11.014 1.00 0.00 C ATOM 827 C LYS A 52 1.420 15.451 10.799 1.00 0.00 C ATOM 828 O LYS A 52 1.316 16.547 10.246 1.00 0.00 O ATOM 829 CB LYS A 52 -0.093 14.434 12.511 1.00 0.00 C ATOM 830 CG LYS A 52 -1.157 15.399 13.012 1.00 0.00 C ATOM 831 CD LYS A 52 -1.858 14.861 14.250 1.00 0.00 C ATOM 832 CE LYS A 52 -2.467 15.982 15.077 1.00 0.00 C ATOM 833 NZ LYS A 52 -2.927 15.505 16.411 1.00 0.00 N ATOM 0 H LYS A 52 0.367 12.473 11.076 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.660 15.027 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.412 13.413 12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.829 14.602 13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.699 16.361 13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.890 15.575 12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.639 14.162 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.146 14.303 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.731 16.775 15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.309 16.415 14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.335 16.300 16.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.648 14.766 16.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.119 15.115 16.938 1.00 0.00 H new ATOM 847 N GLY A 53 2.579 14.971 11.240 1.00 0.00 N ATOM 848 CA GLY A 53 3.805 15.731 11.088 1.00 0.00 C ATOM 849 C GLY A 53 5.037 14.920 11.438 1.00 0.00 C ATOM 850 O GLY A 53 5.889 14.673 10.583 1.00 0.00 O ATOM 0 H GLY A 53 2.690 14.068 11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.886 16.083 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.762 16.615 11.725 1.00 0.00 H new ATOM 854 N LYS A 54 5.132 14.501 12.697 1.00 0.00 N ATOM 855 CA LYS A 54 6.269 13.709 13.154 1.00 0.00 C ATOM 856 C LYS A 54 5.915 12.221 13.218 1.00 0.00 C ATOM 857 O LYS A 54 6.793 11.369 13.354 1.00 0.00 O ATOM 858 CB LYS A 54 6.739 14.199 14.529 1.00 0.00 C ATOM 859 CG LYS A 54 5.617 14.342 15.548 1.00 0.00 C ATOM 860 CD LYS A 54 6.061 13.899 16.934 1.00 0.00 C ATOM 861 CE LYS A 54 6.691 15.043 17.712 1.00 0.00 C ATOM 862 NZ LYS A 54 8.114 15.259 17.331 1.00 0.00 N ATOM 0 H LYS A 54 4.437 14.696 13.417 1.00 0.00 H new ATOM 0 HA LYS A 54 7.079 13.835 12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.483 13.503 14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.235 15.163 14.411 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.288 15.381 15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.760 13.747 15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.204 13.512 17.485 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.777 13.082 16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.125 15.957 17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.629 14.833 18.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.535 15.978 17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.639 14.366 17.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.164 15.584 16.344 1.00 0.00 H new ATOM 876 N ILE A 55 4.621 11.921 13.120 1.00 0.00 N ATOM 877 CA ILE A 55 4.130 10.545 13.167 1.00 0.00 C ATOM 878 C ILE A 55 3.398 10.185 11.875 1.00 0.00 C ATOM 879 O ILE A 55 3.017 11.068 11.114 1.00 0.00 O ATOM 880 CB ILE A 55 3.168 10.357 14.360 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.885 8.872 14.607 1.00 0.00 C ATOM 882 CG2 ILE A 55 1.868 11.120 14.120 1.00 0.00 C ATOM 883 CD1 ILE A 55 3.430 8.365 15.922 1.00 0.00 C ATOM 0 H ILE A 55 3.887 12.620 13.006 1.00 0.00 H new ATOM 0 HA ILE A 55 4.992 9.888 13.285 1.00 0.00 H new ATOM 0 HB ILE A 55 3.648 10.761 15.252 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.808 8.706 14.581 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.317 8.288 13.794 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.200 10.978 14.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.085 12.182 14.003 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.389 10.746 13.215 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.193 7.307 16.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.512 8.499 15.943 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.979 8.924 16.742 1.00 0.00 H new ATOM 895 N ALA A 56 3.191 8.891 11.639 1.00 0.00 N ATOM 896 CA ALA A 56 2.488 8.434 10.447 1.00 0.00 C ATOM 897 C ALA A 56 1.562 7.271 10.777 1.00 0.00 C ATOM 898 O ALA A 56 1.796 6.533 11.734 1.00 0.00 O ATOM 899 CB ALA A 56 3.473 8.018 9.369 1.00 0.00 C ATOM 0 H ALA A 56 3.501 8.142 12.259 1.00 0.00 H new ATOM 0 HA ALA A 56 1.888 9.264 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.927 7.680 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.101 8.868 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.099 7.207 9.741 1.00 0.00 H new ATOM 905 N TYR A 57 0.513 7.109 9.982 1.00 0.00 N ATOM 906 CA TYR A 57 -0.441 6.029 10.196 1.00 0.00 C ATOM 907 C TYR A 57 -1.246 5.751 8.933 1.00 0.00 C ATOM 908 O TYR A 57 -1.597 6.667 8.190 1.00 0.00 O ATOM 909 CB TYR A 57 -1.372 6.364 11.363 1.00 0.00 C ATOM 910 CG TYR A 57 -2.062 7.703 11.235 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.457 8.866 11.699 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.320 7.803 10.658 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.089 10.089 11.589 1.00 0.00 C ATOM 914 CE2 TYR A 57 -3.959 9.022 10.545 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.338 10.162 11.011 1.00 0.00 C ATOM 916 OH TYR A 57 -3.971 11.379 10.901 1.00 0.00 O ATOM 0 H TYR A 57 0.301 7.710 9.185 1.00 0.00 H new ATOM 0 HA TYR A 57 0.118 5.127 10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.128 5.584 11.446 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.797 6.350 12.289 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.478 8.812 12.152 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.808 6.912 10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.607 10.984 11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.939 9.082 10.095 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.842 11.257 10.470 1.00 0.00 H new ATOM 926 N ILE A 58 -1.522 4.473 8.690 1.00 0.00 N ATOM 927 CA ILE A 58 -2.269 4.060 7.511 1.00 0.00 C ATOM 928 C ILE A 58 -3.720 3.738 7.845 1.00 0.00 C ATOM 929 O ILE A 58 -4.009 3.086 8.848 1.00 0.00 O ATOM 930 CB ILE A 58 -1.616 2.832 6.851 1.00 0.00 C ATOM 931 CG1 ILE A 58 -1.667 1.624 7.794 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.182 3.155 6.463 1.00 0.00 C ATOM 933 CD1 ILE A 58 -2.514 0.486 7.267 1.00 0.00 C ATOM 0 H ILE A 58 -1.237 3.705 9.298 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.252 4.899 6.816 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.172 2.578 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.653 1.263 7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.060 1.942 8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.274 2.282 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.174 3.988 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.384 3.427 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.506 -0.335 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.538 0.831 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.109 0.141 6.316 1.00 0.00 H new ATOM 945 N LYS A 59 -4.631 4.202 6.996 1.00 0.00 N ATOM 946 CA LYS A 59 -6.056 3.969 7.198 1.00 0.00 C ATOM 947 C LYS A 59 -6.675 3.246 6.003 1.00 0.00 C ATOM 948 O LYS A 59 -6.195 3.366 4.875 1.00 0.00 O ATOM 949 CB LYS A 59 -6.773 5.299 7.433 1.00 0.00 C ATOM 950 CG LYS A 59 -7.145 5.534 8.885 1.00 0.00 C ATOM 951 CD LYS A 59 -8.129 6.681 9.037 1.00 0.00 C ATOM 952 CE LYS A 59 -9.540 6.170 9.281 1.00 0.00 C ATOM 953 NZ LYS A 59 -9.868 5.005 8.415 1.00 0.00 N ATOM 0 H LYS A 59 -4.407 4.742 6.160 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.174 3.333 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.133 6.113 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.677 5.329 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.580 4.625 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.245 5.749 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.822 7.318 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.114 7.298 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.647 5.885 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.254 6.973 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.887 4.805 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.614 5.222 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.333 4.173 8.735 1.00 0.00 H new ATOM 967 N LEU A 60 -7.748 2.500 6.259 1.00 0.00 N ATOM 968 CA LEU A 60 -8.437 1.763 5.204 1.00 0.00 C ATOM 969 C LEU A 60 -9.951 1.844 5.373 1.00 0.00 C ATOM 970 O LEU A 60 -10.453 2.126 6.463 1.00 0.00 O ATOM 971 CB LEU A 60 -7.997 0.297 5.184 1.00 0.00 C ATOM 972 CG LEU A 60 -8.070 -0.436 6.528 1.00 0.00 C ATOM 973 CD1 LEU A 60 -9.301 -1.331 6.588 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.808 -1.255 6.750 1.00 0.00 C ATOM 0 H LEU A 60 -8.158 2.391 7.187 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.167 2.226 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.615 -0.239 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.971 0.250 4.820 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.149 0.307 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.333 -1.842 7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.198 -0.724 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.254 -2.069 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.873 -1.771 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.704 -1.988 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.941 -0.594 6.751 1.00 0.00 H new ATOM 986 N GLU A 61 -10.672 1.586 4.284 1.00 0.00 N ATOM 987 CA GLU A 61 -12.128 1.622 4.302 1.00 0.00 C ATOM 988 C GLU A 61 -12.705 1.225 2.946 1.00 0.00 C ATOM 989 O GLU A 61 -11.970 0.997 1.989 1.00 0.00 O ATOM 990 CB GLU A 61 -12.618 3.019 4.691 1.00 0.00 C ATOM 991 CG GLU A 61 -12.141 4.118 3.755 1.00 0.00 C ATOM 992 CD GLU A 61 -11.145 5.052 4.413 1.00 0.00 C ATOM 993 OE1 GLU A 61 -10.259 4.556 5.141 1.00 0.00 O ATOM 994 OE2 GLU A 61 -11.251 6.278 4.203 1.00 0.00 O ATOM 0 H GLU A 61 -10.268 1.350 3.378 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.474 0.902 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.708 3.019 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.280 3.244 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.684 3.667 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.000 4.694 3.409 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.030 1.148 2.876 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.721 0.788 1.644 1.00 0.00 C ATOM 1003 C ASP A 62 -14.824 1.992 0.717 1.00 0.00 C ATOM 1004 O ASP A 62 -15.029 3.118 1.170 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.122 0.246 1.965 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.945 -0.066 0.731 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.384 -0.041 -0.382 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -18.154 -0.342 0.882 1.00 0.00 O ATOM 0 H ASP A 62 -14.650 1.332 3.665 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.147 0.011 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.025 -0.658 2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.655 0.977 2.573 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.687 1.749 -0.582 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.773 2.817 -1.572 1.00 0.00 C ATOM 1015 C LYS A 63 -16.181 3.414 -1.645 1.00 0.00 C ATOM 1016 O LYS A 63 -16.429 4.343 -2.412 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.362 2.300 -2.948 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.337 3.384 -4.009 1.00 0.00 C ATOM 1019 CD LYS A 63 -15.278 3.079 -5.158 1.00 0.00 C ATOM 1020 CE LYS A 63 -14.715 3.589 -6.472 1.00 0.00 C ATOM 1021 NZ LYS A 63 -15.609 3.275 -7.617 1.00 0.00 N ATOM 0 H LYS A 63 -14.516 0.823 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.088 3.605 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.374 1.846 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.053 1.515 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.612 4.338 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.322 3.493 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.443 2.003 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.248 3.540 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.569 4.667 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.735 3.144 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.189 3.640 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.728 2.245 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.536 3.721 -7.466 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.101 2.875 -0.854 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.471 3.352 -0.843 1.00 0.00 C ATOM 1037 C VAL A 64 -18.611 4.602 0.024 1.00 0.00 C ATOM 1038 O VAL A 64 -18.955 5.675 -0.472 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.423 2.256 -0.327 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.805 2.823 -0.039 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -19.501 1.114 -1.327 1.00 0.00 C ATOM 0 H VAL A 64 -16.918 2.105 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.740 3.606 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.024 1.868 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.456 2.028 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -20.728 3.603 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.223 3.245 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -20.177 0.346 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -19.874 1.490 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -18.509 0.686 -1.469 1.00 0.00 H new ATOM 1051 N SER A 65 -18.346 4.456 1.318 1.00 0.00 N ATOM 1052 CA SER A 65 -18.444 5.575 2.247 1.00 0.00 C ATOM 1053 C SER A 65 -18.062 5.154 3.666 1.00 0.00 C ATOM 1054 O SER A 65 -18.920 5.050 4.543 1.00 0.00 O ATOM 1055 CB SER A 65 -19.864 6.150 2.238 1.00 0.00 C ATOM 1056 OG SER A 65 -19.958 7.266 1.368 1.00 0.00 O ATOM 0 H SER A 65 -18.062 3.575 1.746 1.00 0.00 H new ATOM 0 HA SER A 65 -17.743 6.343 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 65 -20.569 5.380 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.145 6.448 3.248 1.00 0.00 H new ATOM 0 HG SER A 65 -19.736 6.988 0.455 1.00 0.00 H new ATOM 1062 N GLY A 66 -16.773 4.921 3.891 1.00 0.00 N ATOM 1063 CA GLY A 66 -16.309 4.528 5.212 1.00 0.00 C ATOM 1064 C GLY A 66 -16.900 3.210 5.686 1.00 0.00 C ATOM 1065 O GLY A 66 -17.982 3.182 6.271 1.00 0.00 O ATOM 0 H GLY A 66 -16.041 4.997 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.222 4.448 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.563 5.311 5.927 1.00 0.00 H new ATOM 1069 N GLU A 67 -16.172 2.121 5.465 1.00 0.00 N ATOM 1070 CA GLU A 67 -16.609 0.797 5.905 1.00 0.00 C ATOM 1071 C GLU A 67 -16.302 0.613 7.388 1.00 0.00 C ATOM 1072 O GLU A 67 -16.198 1.585 8.134 1.00 0.00 O ATOM 1073 CB GLU A 67 -15.907 -0.289 5.089 1.00 0.00 C ATOM 1074 CG GLU A 67 -16.782 -1.494 4.778 1.00 0.00 C ATOM 1075 CD GLU A 67 -16.053 -2.547 3.965 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -14.874 -2.317 3.617 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -16.658 -3.599 3.675 1.00 0.00 O ATOM 0 H GLU A 67 -15.273 2.127 4.982 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.685 0.713 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.557 0.144 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.025 -0.625 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.130 -1.937 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.666 -1.166 4.232 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.145 -0.645 7.804 1.00 0.00 N ATOM 1085 CA LEU A 68 -15.832 -0.978 9.190 1.00 0.00 C ATOM 1086 C LEU A 68 -14.809 -0.006 9.790 1.00 0.00 C ATOM 1087 O LEU A 68 -14.793 0.218 11.000 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.289 -2.408 9.256 1.00 0.00 C ATOM 1089 CG LEU A 68 -14.258 -2.750 8.175 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -12.852 -2.448 8.668 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -14.377 -4.209 7.757 1.00 0.00 C ATOM 0 H LEU A 68 -16.231 -1.456 7.191 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.748 -0.896 9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -14.836 -2.566 10.235 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.124 -3.104 9.176 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.459 -2.129 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.132 -2.696 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.772 -1.389 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.643 -3.042 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.636 -4.429 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.205 -4.850 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.376 -4.394 7.361 1.00 0.00 H new ATOM 1103 N PHE A 69 -13.956 0.564 8.937 1.00 0.00 N ATOM 1104 CA PHE A 69 -12.935 1.508 9.374 1.00 0.00 C ATOM 1105 C PHE A 69 -11.818 0.795 10.126 1.00 0.00 C ATOM 1106 O PHE A 69 -12.072 0.035 11.060 1.00 0.00 O ATOM 1107 CB PHE A 69 -13.542 2.611 10.260 1.00 0.00 C ATOM 1108 CG PHE A 69 -13.810 3.903 9.536 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -13.026 4.287 8.463 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -14.846 4.734 9.931 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -13.263 5.469 7.797 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -15.092 5.922 9.267 1.00 0.00 C ATOM 1113 CZ PHE A 69 -14.298 6.290 8.198 1.00 0.00 C ATOM 0 H PHE A 69 -13.956 0.384 7.933 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.515 1.971 8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.476 2.246 10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.866 2.807 11.092 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.215 3.650 8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.468 4.451 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.640 5.753 6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.903 6.561 9.584 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.486 7.217 7.677 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.580 1.051 9.717 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.421 0.434 10.360 1.00 0.00 C ATOM 1125 C ALA A 70 -8.133 1.163 9.996 1.00 0.00 C ATOM 1126 O ALA A 70 -8.034 1.775 8.933 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.324 -1.036 9.981 1.00 0.00 C ATOM 0 H ALA A 70 -10.352 1.679 8.946 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.556 0.511 11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.456 -1.481 10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.227 -1.555 10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.220 -1.127 8.900 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.145 1.098 10.887 1.00 0.00 N ATOM 1134 CA GLN A 71 -5.865 1.756 10.650 1.00 0.00 C ATOM 1135 C GLN A 71 -4.765 1.176 11.534 1.00 0.00 C ATOM 1136 O GLN A 71 -5.037 0.435 12.479 1.00 0.00 O ATOM 1137 CB GLN A 71 -5.993 3.259 10.898 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.270 3.620 12.346 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.590 4.347 12.524 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -8.676 3.723 12.080 1.00 0.00 O flip ATOM 1141 NE2 GLN A 71 -7.634 5.457 13.053 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.207 0.599 11.774 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.589 1.581 9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.073 3.750 10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.796 3.653 10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.276 2.712 12.948 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.461 4.246 12.722 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.776 5.900 13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.529 5.934 13.165 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.521 1.524 11.217 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.369 1.047 11.973 1.00 0.00 C ATOM 1152 C ALA A 72 -1.380 2.185 12.236 1.00 0.00 C ATOM 1153 O ALA A 72 -0.638 2.586 11.339 1.00 0.00 O ATOM 1154 CB ALA A 72 -1.683 -0.088 11.225 1.00 0.00 C ATOM 0 H ALA A 72 -3.285 2.138 10.437 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.721 0.674 12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.824 -0.436 11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.385 -0.910 11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.348 0.268 10.251 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.357 2.725 13.470 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.450 3.824 13.836 1.00 0.00 C ATOM 1162 C PRO A 73 1.019 3.402 13.786 1.00 0.00 C ATOM 1163 O PRO A 73 1.371 2.312 14.236 1.00 0.00 O ATOM 1164 CB PRO A 73 -0.871 4.177 15.268 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.545 2.952 15.786 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.208 2.310 14.600 1.00 0.00 C ATOM 0 HA PRO A 73 -0.524 4.664 13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.008 4.441 15.879 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.545 5.034 15.281 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.824 2.275 16.244 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.277 3.204 16.553 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.245 1.225 14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.235 2.654 14.478 1.00 0.00 H new ATOM 1174 N VAL A 74 1.873 4.259 13.224 1.00 0.00 N ATOM 1175 CA VAL A 74 3.293 3.940 13.111 1.00 0.00 C ATOM 1176 C VAL A 74 4.190 5.140 13.422 1.00 0.00 C ATOM 1177 O VAL A 74 3.902 6.273 13.039 1.00 0.00 O ATOM 1178 CB VAL A 74 3.628 3.405 11.704 1.00 0.00 C ATOM 1179 CG1 VAL A 74 2.854 2.123 11.429 1.00 0.00 C ATOM 1180 CG2 VAL A 74 3.337 4.458 10.642 1.00 0.00 C ATOM 0 H VAL A 74 1.609 5.168 12.845 1.00 0.00 H new ATOM 0 HA VAL A 74 3.492 3.168 13.854 1.00 0.00 H new ATOM 0 HB VAL A 74 4.693 3.177 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.100 1.756 10.432 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.123 1.370 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.784 2.324 11.488 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.581 4.059 9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.281 4.725 10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.941 5.345 10.834 1.00 0.00 H new ATOM 1190 N GLU A 75 5.290 4.859 14.118 1.00 0.00 N ATOM 1191 CA GLU A 75 6.273 5.870 14.503 1.00 0.00 C ATOM 1192 C GLU A 75 7.073 6.396 13.298 1.00 0.00 C ATOM 1193 O GLU A 75 7.991 7.195 13.474 1.00 0.00 O ATOM 1194 CB GLU A 75 7.249 5.271 15.523 1.00 0.00 C ATOM 1195 CG GLU A 75 6.746 5.286 16.960 1.00 0.00 C ATOM 1196 CD GLU A 75 7.822 5.697 17.947 1.00 0.00 C ATOM 1197 OE1 GLU A 75 8.571 6.649 17.647 1.00 0.00 O ATOM 1198 OE2 GLU A 75 7.918 5.063 19.020 1.00 0.00 O ATOM 0 H GLU A 75 5.526 3.918 14.433 1.00 0.00 H new ATOM 0 HA GLU A 75 5.726 6.708 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.467 4.242 15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.189 5.821 15.474 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.903 5.972 17.039 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.376 4.295 17.223 1.00 0.00 H new ATOM 1205 N GLN A 76 6.739 5.931 12.085 1.00 0.00 N ATOM 1206 CA GLN A 76 7.437 6.345 10.855 1.00 0.00 C ATOM 1207 C GLN A 76 8.950 6.449 11.052 1.00 0.00 C ATOM 1208 O GLN A 76 9.453 7.470 11.519 1.00 0.00 O ATOM 1209 CB GLN A 76 6.891 7.677 10.319 1.00 0.00 C ATOM 1210 CG GLN A 76 7.074 8.862 11.256 1.00 0.00 C ATOM 1211 CD GLN A 76 8.139 9.826 10.776 1.00 0.00 C ATOM 1212 OE1 GLN A 76 8.127 10.261 9.625 1.00 0.00 O ATOM 1213 NE2 GLN A 76 9.070 10.163 11.661 1.00 0.00 N ATOM 0 H GLN A 76 5.984 5.263 11.928 1.00 0.00 H new ATOM 0 HA GLN A 76 7.245 5.563 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.382 7.901 9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.828 7.560 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.127 9.392 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.340 8.498 12.248 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.040 9.777 12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.815 10.808 11.397 1.00 0.00 H new ATOM 1222 N TYR A 77 9.677 5.395 10.678 1.00 0.00 N ATOM 1223 CA TYR A 77 11.134 5.395 10.807 1.00 0.00 C ATOM 1224 C TYR A 77 11.783 4.278 9.966 1.00 0.00 C ATOM 1225 O TYR A 77 12.428 4.569 8.959 1.00 0.00 O ATOM 1226 CB TYR A 77 11.534 5.308 12.288 1.00 0.00 C ATOM 1227 CG TYR A 77 12.935 5.801 12.595 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.994 5.560 11.726 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.196 6.500 13.769 1.00 0.00 C ATOM 1230 CE1 TYR A 77 15.272 6.001 12.023 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.469 6.946 14.069 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.503 6.693 13.194 1.00 0.00 C ATOM 1233 OH TYR A 77 16.774 7.130 13.492 1.00 0.00 O ATOM 0 H TYR A 77 9.285 4.538 10.287 1.00 0.00 H new ATOM 0 HA TYR A 77 11.513 6.336 10.409 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.822 5.886 12.877 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.449 4.271 12.613 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.817 5.021 10.807 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.389 6.698 14.459 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.085 5.804 11.340 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.652 7.490 14.984 1.00 0.00 H new ATOM 0 HH TYR A 77 16.765 7.601 14.351 1.00 0.00 H new ATOM 1243 N PRO A 78 11.626 2.987 10.342 1.00 0.00 N ATOM 1244 CA PRO A 78 12.211 1.865 9.585 1.00 0.00 C ATOM 1245 C PRO A 78 11.466 1.599 8.280 1.00 0.00 C ATOM 1246 O PRO A 78 10.841 0.555 8.108 1.00 0.00 O ATOM 1247 CB PRO A 78 12.038 0.682 10.537 1.00 0.00 C ATOM 1248 CG PRO A 78 10.817 1.023 11.311 1.00 0.00 C ATOM 1249 CD PRO A 78 10.870 2.511 11.510 1.00 0.00 C ATOM 0 HA PRO A 78 13.243 2.059 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.918 -0.255 9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.904 0.563 11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.916 0.731 10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.800 0.500 12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.872 2.947 11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.367 2.774 12.444 1.00 0.00 H new ATOM 1257 N GLY A 79 11.543 2.546 7.358 1.00 0.00 N ATOM 1258 CA GLY A 79 10.869 2.383 6.079 1.00 0.00 C ATOM 1259 C GLY A 79 11.467 1.274 5.231 1.00 0.00 C ATOM 1260 O GLY A 79 12.560 1.425 4.685 1.00 0.00 O ATOM 0 H GLY A 79 12.056 3.421 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.814 2.170 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.917 3.322 5.527 1.00 0.00 H new ATOM 1264 N ILE A 80 10.747 0.156 5.118 1.00 0.00 N ATOM 1265 CA ILE A 80 11.213 -0.984 4.332 1.00 0.00 C ATOM 1266 C ILE A 80 10.192 -2.129 4.362 1.00 0.00 C ATOM 1267 O ILE A 80 9.047 -1.936 4.769 1.00 0.00 O ATOM 1268 CB ILE A 80 12.596 -1.477 4.845 1.00 0.00 C ATOM 1269 CG1 ILE A 80 13.418 -2.106 3.712 1.00 0.00 C ATOM 1270 CG2 ILE A 80 12.446 -2.455 6.010 1.00 0.00 C ATOM 1271 CD1 ILE A 80 13.564 -1.220 2.494 1.00 0.00 C ATOM 0 H ILE A 80 9.839 0.018 5.562 1.00 0.00 H new ATOM 0 HA ILE A 80 11.324 -0.655 3.299 1.00 0.00 H new ATOM 0 HB ILE A 80 13.135 -0.603 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.410 -2.353 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.948 -3.043 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.432 -2.779 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.928 -1.963 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.870 -3.322 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.157 -1.735 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.578 -0.993 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.062 -0.293 2.776 1.00 0.00 H new ATOM 1283 N ALA A 81 10.622 -3.316 3.934 1.00 0.00 N ATOM 1284 CA ALA A 81 9.772 -4.498 3.913 1.00 0.00 C ATOM 1285 C ALA A 81 8.730 -4.435 2.808 1.00 0.00 C ATOM 1286 O ALA A 81 7.564 -4.127 3.049 1.00 0.00 O ATOM 1287 CB ALA A 81 9.111 -4.715 5.259 1.00 0.00 C ATOM 0 H ALA A 81 11.569 -3.481 3.593 1.00 0.00 H new ATOM 0 HA ALA A 81 10.418 -5.350 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.482 -5.604 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.877 -4.849 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.498 -3.848 5.507 1.00 0.00 H new ATOM 1293 N VAL A 82 9.161 -4.758 1.600 1.00 0.00 N ATOM 1294 CA VAL A 82 8.277 -4.774 0.444 1.00 0.00 C ATOM 1295 C VAL A 82 8.719 -5.841 -0.542 1.00 0.00 C ATOM 1296 O VAL A 82 9.910 -5.991 -0.817 1.00 0.00 O ATOM 1297 CB VAL A 82 8.233 -3.419 -0.285 1.00 0.00 C ATOM 1298 CG1 VAL A 82 7.087 -3.395 -1.287 1.00 0.00 C ATOM 1299 CG2 VAL A 82 8.104 -2.276 0.709 1.00 0.00 C ATOM 0 H VAL A 82 10.126 -5.015 1.393 1.00 0.00 H new ATOM 0 HA VAL A 82 7.278 -4.991 0.821 1.00 0.00 H new ATOM 0 HB VAL A 82 9.169 -3.289 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.068 -2.431 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.228 -4.189 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.143 -3.548 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.075 -1.328 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.186 -2.396 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.959 -2.284 1.385 1.00 0.00 H new ATOM 1309 N GLU A 83 7.758 -6.576 -1.073 1.00 0.00 N ATOM 1310 CA GLU A 83 8.058 -7.625 -2.032 1.00 0.00 C ATOM 1311 C GLU A 83 7.095 -7.571 -3.203 1.00 0.00 C ATOM 1312 O GLU A 83 5.917 -7.258 -3.045 1.00 0.00 O ATOM 1313 CB GLU A 83 7.992 -9.004 -1.372 1.00 0.00 C ATOM 1314 CG GLU A 83 9.177 -9.306 -0.468 1.00 0.00 C ATOM 1315 CD GLU A 83 9.246 -10.767 -0.067 1.00 0.00 C ATOM 1316 OE1 GLU A 83 8.686 -11.610 -0.798 1.00 0.00 O ATOM 1317 OE2 GLU A 83 9.860 -11.067 0.980 1.00 0.00 O ATOM 0 H GLU A 83 6.767 -6.467 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 83 9.071 -7.461 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.074 -9.074 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.935 -9.767 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.099 -9.029 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.112 -8.689 0.429 1.00 0.00 H new ATOM 1324 N THR A 84 7.606 -7.880 -4.380 1.00 0.00 N ATOM 1325 CA THR A 84 6.794 -7.873 -5.579 1.00 0.00 C ATOM 1326 C THR A 84 6.881 -9.210 -6.288 1.00 0.00 C ATOM 1327 O THR A 84 7.509 -10.154 -5.805 1.00 0.00 O ATOM 1328 CB THR A 84 7.239 -6.759 -6.530 1.00 0.00 C ATOM 1329 OG1 THR A 84 8.536 -6.302 -6.198 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.313 -5.562 -6.529 1.00 0.00 C ATOM 0 H THR A 84 8.581 -8.139 -4.530 1.00 0.00 H new ATOM 0 HA THR A 84 5.761 -7.692 -5.282 1.00 0.00 H new ATOM 0 HB THR A 84 7.222 -7.207 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.802 -5.592 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.688 -4.811 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.315 -5.874 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.268 -5.137 -5.526 1.00 0.00 H new ATOM 1338 N VAL A 85 6.249 -9.270 -7.443 1.00 0.00 N ATOM 1339 CA VAL A 85 6.236 -10.472 -8.262 1.00 0.00 C ATOM 1340 C VAL A 85 7.636 -10.791 -8.774 1.00 0.00 C ATOM 1341 O VAL A 85 8.179 -10.075 -9.616 1.00 0.00 O ATOM 1342 CB VAL A 85 5.289 -10.305 -9.463 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.847 -10.525 -9.044 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.468 -8.928 -10.100 1.00 0.00 C ATOM 0 H VAL A 85 5.729 -8.489 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 85 5.884 -11.292 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 85 5.542 -11.059 -10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.194 -10.402 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.734 -11.533 -8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.576 -9.798 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.790 -8.828 -10.948 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.245 -8.155 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.497 -8.817 -10.443 1.00 0.00 H new ATOM 1354 N THR A 86 8.219 -11.868 -8.256 1.00 0.00 N ATOM 1355 CA THR A 86 9.562 -12.278 -8.656 1.00 0.00 C ATOM 1356 C THR A 86 9.626 -12.608 -10.149 1.00 0.00 C ATOM 1357 O THR A 86 10.711 -12.698 -10.723 1.00 0.00 O ATOM 1358 CB THR A 86 10.029 -13.479 -7.828 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.757 -13.278 -6.452 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.512 -13.748 -7.962 1.00 0.00 C ATOM 0 H THR A 86 7.783 -12.472 -7.559 1.00 0.00 H new ATOM 0 HA THR A 86 10.231 -11.438 -8.468 1.00 0.00 H new ATOM 0 HB THR A 86 9.477 -14.334 -8.219 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.061 -14.057 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.782 -14.610 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.752 -13.952 -9.006 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.072 -12.876 -7.625 1.00 0.00 H new ATOM 1368 N ASP A 87 8.464 -12.784 -10.776 1.00 0.00 N ATOM 1369 CA ASP A 87 8.408 -13.098 -12.200 1.00 0.00 C ATOM 1370 C ASP A 87 7.102 -12.598 -12.829 1.00 0.00 C ATOM 1371 O ASP A 87 6.680 -13.091 -13.875 1.00 0.00 O ATOM 1372 CB ASP A 87 8.558 -14.610 -12.415 1.00 0.00 C ATOM 1373 CG ASP A 87 9.751 -14.957 -13.286 1.00 0.00 C ATOM 1374 OD1 ASP A 87 10.843 -14.399 -13.048 1.00 0.00 O ATOM 1375 OD2 ASP A 87 9.595 -15.791 -14.204 1.00 0.00 O ATOM 0 H ASP A 87 7.553 -12.715 -10.322 1.00 0.00 H new ATOM 0 HA ASP A 87 9.235 -12.585 -12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.662 -15.103 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.650 -15.000 -12.875 1.00 0.00 H new ATOM 1380 N SER A 88 6.473 -11.609 -12.192 1.00 0.00 N ATOM 1381 CA SER A 88 5.221 -11.030 -12.694 1.00 0.00 C ATOM 1382 C SER A 88 4.070 -12.024 -12.612 1.00 0.00 C ATOM 1383 O SER A 88 4.209 -13.183 -13.000 1.00 0.00 O ATOM 1384 CB SER A 88 5.391 -10.549 -14.137 1.00 0.00 C ATOM 1385 OG SER A 88 4.455 -9.528 -14.450 1.00 0.00 O ATOM 0 H SER A 88 6.809 -11.190 -11.325 1.00 0.00 H new ATOM 0 HA SER A 88 4.979 -10.178 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.404 -10.174 -14.282 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.261 -11.388 -14.821 1.00 0.00 H new ATOM 0 HG SER A 88 4.586 -9.237 -15.377 1.00 0.00 H new ATOM 1391 N SER A 89 2.924 -11.558 -12.113 1.00 0.00 N ATOM 1392 CA SER A 89 1.741 -12.406 -11.992 1.00 0.00 C ATOM 1393 C SER A 89 0.586 -11.650 -11.337 1.00 0.00 C ATOM 1394 O SER A 89 -0.020 -12.130 -10.379 1.00 0.00 O ATOM 1395 CB SER A 89 2.070 -13.673 -11.199 1.00 0.00 C ATOM 1396 OG SER A 89 1.706 -14.835 -11.928 1.00 0.00 O ATOM 0 H SER A 89 2.792 -10.600 -11.787 1.00 0.00 H new ATOM 0 HA SER A 89 1.428 -12.694 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.136 -13.699 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.543 -13.657 -10.245 1.00 0.00 H new ATOM 0 HG SER A 89 2.344 -14.976 -12.659 1.00 0.00 H new ATOM 1402 N ARG A 90 0.305 -10.456 -11.864 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.775 -9.590 -11.340 1.00 0.00 C ATOM 1404 C ARG A 90 -0.940 -9.757 -9.826 1.00 0.00 C ATOM 1405 O ARG A 90 -1.951 -10.274 -9.348 1.00 0.00 O ATOM 1406 CB ARG A 90 -2.100 -9.899 -12.046 1.00 0.00 C ATOM 1407 CG ARG A 90 -2.568 -11.334 -11.868 1.00 0.00 C ATOM 1408 CD ARG A 90 -2.575 -12.096 -13.185 1.00 0.00 C ATOM 1409 NE ARG A 90 -3.857 -12.756 -13.422 1.00 0.00 N ATOM 1410 CZ ARG A 90 -4.494 -12.754 -14.591 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -3.946 -12.180 -15.657 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -5.677 -13.342 -14.702 1.00 0.00 N ATOM 0 H ARG A 90 0.808 -10.058 -12.657 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.495 -8.556 -11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.869 -9.226 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.991 -9.691 -13.110 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.916 -11.843 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.571 -11.338 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.363 -11.409 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.778 -12.840 -13.179 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.291 -13.250 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.030 -11.736 -15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.441 -12.183 -16.549 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.099 -13.796 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.165 -13.341 -15.598 1.00 0.00 H new ATOM 1426 N TYR A 91 0.067 -9.305 -9.084 1.00 0.00 N ATOM 1427 CA TYR A 91 0.049 -9.388 -7.623 1.00 0.00 C ATOM 1428 C TYR A 91 1.216 -8.615 -7.008 1.00 0.00 C ATOM 1429 O TYR A 91 2.236 -8.395 -7.657 1.00 0.00 O ATOM 1430 CB TYR A 91 0.083 -10.854 -7.174 1.00 0.00 C ATOM 1431 CG TYR A 91 0.571 -11.064 -5.752 1.00 0.00 C ATOM 1432 CD1 TYR A 91 1.930 -11.092 -5.463 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.325 -11.240 -4.703 1.00 0.00 C ATOM 1434 CE1 TYR A 91 2.383 -11.286 -4.170 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.121 -11.435 -3.408 1.00 0.00 C ATOM 1436 CZ TYR A 91 1.474 -11.457 -3.147 1.00 0.00 C ATOM 1437 OH TYR A 91 1.919 -11.653 -1.857 1.00 0.00 O ATOM 0 H TYR A 91 0.908 -8.876 -9.470 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.876 -8.931 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.919 -11.273 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.727 -11.414 -7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.645 -10.960 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.386 -11.224 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.443 -11.303 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.588 -11.569 -2.605 1.00 0.00 H new ATOM 0 HH TYR A 91 1.150 -11.755 -1.258 1.00 0.00 H new ATOM 1447 N PHE A 92 1.063 -8.218 -5.748 1.00 0.00 N ATOM 1448 CA PHE A 92 2.112 -7.490 -5.044 1.00 0.00 C ATOM 1449 C PHE A 92 1.781 -7.372 -3.559 1.00 0.00 C ATOM 1450 O PHE A 92 0.613 -7.408 -3.172 1.00 0.00 O ATOM 1451 CB PHE A 92 2.305 -6.104 -5.659 1.00 0.00 C ATOM 1452 CG PHE A 92 1.023 -5.369 -5.899 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.329 -5.535 -7.085 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.515 -4.508 -4.943 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.851 -4.856 -7.314 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.665 -3.826 -5.167 1.00 0.00 C ATOM 1457 CZ PHE A 92 -1.349 -4.000 -6.354 1.00 0.00 C ATOM 0 H PHE A 92 0.223 -8.388 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 92 3.043 -8.047 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.937 -5.509 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.837 -6.207 -6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.715 -6.204 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.046 -4.368 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.383 -4.995 -8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.053 -3.156 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.272 -3.467 -6.530 1.00 0.00 H new ATOM 1467 N VAL A 93 2.808 -7.239 -2.729 1.00 0.00 N ATOM 1468 CA VAL A 93 2.604 -7.129 -1.288 1.00 0.00 C ATOM 1469 C VAL A 93 3.409 -5.970 -0.699 1.00 0.00 C ATOM 1470 O VAL A 93 4.472 -5.619 -1.213 1.00 0.00 O ATOM 1471 CB VAL A 93 2.978 -8.446 -0.574 1.00 0.00 C ATOM 1472 CG1 VAL A 93 4.473 -8.708 -0.673 1.00 0.00 C ATOM 1473 CG2 VAL A 93 2.527 -8.425 0.879 1.00 0.00 C ATOM 0 H VAL A 93 3.784 -7.205 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 93 1.545 -6.930 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 93 2.457 -9.261 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.713 -9.641 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.761 -8.783 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.018 -7.888 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.802 -9.364 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.010 -7.597 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.445 -8.299 0.922 1.00 0.00 H new ATOM 1483 N ILE A 94 2.893 -5.375 0.376 1.00 0.00 N ATOM 1484 CA ILE A 94 3.564 -4.252 1.025 1.00 0.00 C ATOM 1485 C ILE A 94 3.504 -4.371 2.545 1.00 0.00 C ATOM 1486 O ILE A 94 2.495 -4.797 3.105 1.00 0.00 O ATOM 1487 CB ILE A 94 2.939 -2.904 0.612 1.00 0.00 C ATOM 1488 CG1 ILE A 94 1.424 -2.923 0.835 1.00 0.00 C ATOM 1489 CG2 ILE A 94 3.264 -2.590 -0.840 1.00 0.00 C ATOM 1490 CD1 ILE A 94 0.940 -1.863 1.803 1.00 0.00 C ATOM 0 H ILE A 94 2.015 -5.652 0.814 1.00 0.00 H new ATOM 0 HA ILE A 94 4.603 -4.283 0.699 1.00 0.00 H new ATOM 0 HB ILE A 94 3.366 -2.119 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.922 -2.785 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.132 -3.905 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.815 -1.635 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.345 -2.533 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.865 -3.376 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.142 -1.936 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.413 -2.013 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.200 -0.876 1.421 1.00 0.00 H new ATOM 1502 N ARG A 95 4.589 -3.980 3.207 1.00 0.00 N ATOM 1503 CA ARG A 95 4.656 -4.032 4.665 1.00 0.00 C ATOM 1504 C ARG A 95 5.000 -2.665 5.233 1.00 0.00 C ATOM 1505 O ARG A 95 5.522 -1.799 4.529 1.00 0.00 O ATOM 1506 CB ARG A 95 5.707 -5.046 5.125 1.00 0.00 C ATOM 1507 CG ARG A 95 5.707 -5.320 6.627 1.00 0.00 C ATOM 1508 CD ARG A 95 6.855 -6.238 7.015 1.00 0.00 C ATOM 1509 NE ARG A 95 6.979 -6.430 8.456 1.00 0.00 N ATOM 1510 CZ ARG A 95 8.144 -6.655 9.063 1.00 0.00 C ATOM 1511 NH1 ARG A 95 9.271 -6.695 8.361 1.00 0.00 N ATOM 1512 NH2 ARG A 95 8.186 -6.843 10.372 1.00 0.00 N ATOM 0 H ARG A 95 5.433 -3.624 2.758 1.00 0.00 H new ATOM 0 HA ARG A 95 3.677 -4.340 5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.543 -5.985 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.694 -4.685 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.789 -4.379 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.760 -5.774 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.713 -7.207 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.787 -5.826 6.629 1.00 0.00 H new ATOM 0 HE ARG A 95 6.134 -6.390 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.248 -6.553 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.159 -6.868 8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.325 -6.816 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.079 -7.015 10.834 1.00 0.00 H new ATOM 1526 N ILE A 96 4.717 -2.486 6.511 1.00 0.00 N ATOM 1527 CA ILE A 96 5.008 -1.235 7.188 1.00 0.00 C ATOM 1528 C ILE A 96 5.848 -1.493 8.428 1.00 0.00 C ATOM 1529 O ILE A 96 5.749 -2.551 9.046 1.00 0.00 O ATOM 1530 CB ILE A 96 3.716 -0.501 7.599 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.816 -0.280 6.383 1.00 0.00 C ATOM 1532 CG2 ILE A 96 4.044 0.828 8.264 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.381 0.044 6.741 1.00 0.00 C ATOM 0 H ILE A 96 4.284 -3.195 7.103 1.00 0.00 H new ATOM 0 HA ILE A 96 5.559 -0.605 6.489 1.00 0.00 H new ATOM 0 HB ILE A 96 3.182 -1.123 8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.224 0.533 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.833 -1.175 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.119 1.331 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.647 0.650 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.600 1.456 7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.802 0.188 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.955 -0.778 7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.352 0.956 7.337 1.00 0.00 H new ATOM 1545 N GLN A 97 6.670 -0.522 8.791 1.00 0.00 N ATOM 1546 CA GLN A 97 7.512 -0.657 9.967 1.00 0.00 C ATOM 1547 C GLN A 97 7.637 0.672 10.688 1.00 0.00 C ATOM 1548 O GLN A 97 7.513 1.734 10.077 1.00 0.00 O ATOM 1549 CB GLN A 97 8.887 -1.193 9.582 1.00 0.00 C ATOM 1550 CG GLN A 97 9.572 -1.956 10.701 1.00 0.00 C ATOM 1551 CD GLN A 97 10.036 -3.330 10.268 1.00 0.00 C ATOM 1552 OE1 GLN A 97 9.335 -4.035 9.543 1.00 0.00 O ATOM 1553 NE2 GLN A 97 11.225 -3.715 10.710 1.00 0.00 N ATOM 0 H GLN A 97 6.772 0.362 8.292 1.00 0.00 H new ATOM 0 HA GLN A 97 7.045 -1.371 10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.784 -1.847 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.521 -0.360 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.428 -1.382 11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.885 -2.056 11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.771 -3.096 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.594 -4.630 10.451 1.00 0.00 H new ATOM 1562 N ASP A 98 7.872 0.612 11.993 1.00 0.00 N ATOM 1563 CA ASP A 98 7.996 1.826 12.786 1.00 0.00 C ATOM 1564 C ASP A 98 8.499 1.544 14.197 1.00 0.00 C ATOM 1565 O ASP A 98 8.230 0.486 14.768 1.00 0.00 O ATOM 1566 CB ASP A 98 6.657 2.539 12.838 1.00 0.00 C ATOM 1567 CG ASP A 98 5.569 1.688 13.465 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.066 0.770 12.784 1.00 0.00 O ATOM 1569 OD2 ASP A 98 5.219 1.940 14.638 1.00 0.00 O ATOM 0 H ASP A 98 7.979 -0.255 12.519 1.00 0.00 H new ATOM 0 HA ASP A 98 8.736 2.464 12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.763 3.463 13.406 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.358 2.818 11.828 1.00 0.00 H new ATOM 1574 N GLY A 99 9.237 2.503 14.757 1.00 0.00 N ATOM 1575 CA GLY A 99 9.773 2.347 16.098 1.00 0.00 C ATOM 1576 C GLY A 99 10.874 1.308 16.180 1.00 0.00 C ATOM 1577 O GLY A 99 11.656 1.304 17.131 1.00 0.00 O ATOM 0 H GLY A 99 9.472 3.386 14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.160 3.306 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.966 2.067 16.775 1.00 0.00 H new ATOM 1581 N THR A 100 10.927 0.414 15.193 1.00 0.00 N ATOM 1582 CA THR A 100 11.916 -0.657 15.166 1.00 0.00 C ATOM 1583 C THR A 100 11.437 -1.818 16.024 1.00 0.00 C ATOM 1584 O THR A 100 12.207 -2.407 16.783 1.00 0.00 O ATOM 1585 CB THR A 100 13.284 -0.166 15.651 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.509 1.178 15.260 1.00 0.00 O ATOM 1587 CG2 THR A 100 14.428 -0.996 15.121 1.00 0.00 C ATOM 0 H THR A 100 10.290 0.413 14.397 1.00 0.00 H new ATOM 0 HA THR A 100 12.031 -0.991 14.135 1.00 0.00 H new ATOM 0 HB THR A 100 13.257 -0.255 16.737 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.248 1.779 15.989 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.371 -0.600 15.499 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.311 -2.029 15.449 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.430 -0.960 14.032 1.00 0.00 H new ATOM 1595 N GLY A 101 10.149 -2.133 15.901 1.00 0.00 N ATOM 1596 CA GLY A 101 9.568 -3.217 16.673 1.00 0.00 C ATOM 1597 C GLY A 101 8.149 -3.567 16.244 1.00 0.00 C ATOM 1598 O GLY A 101 7.697 -4.693 16.449 1.00 0.00 O ATOM 0 H GLY A 101 9.497 -1.655 15.279 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.198 -4.101 16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.564 -2.942 17.728 1.00 0.00 H new ATOM 1602 N ARG A 102 7.443 -2.606 15.649 1.00 0.00 N ATOM 1603 CA ARG A 102 6.074 -2.836 15.195 1.00 0.00 C ATOM 1604 C ARG A 102 5.978 -2.674 13.681 1.00 0.00 C ATOM 1605 O ARG A 102 6.231 -1.595 13.146 1.00 0.00 O ATOM 1606 CB ARG A 102 5.112 -1.873 15.893 1.00 0.00 C ATOM 1607 CG ARG A 102 5.075 -2.045 17.403 1.00 0.00 C ATOM 1608 CD ARG A 102 4.678 -3.462 17.790 1.00 0.00 C ATOM 1609 NE ARG A 102 4.228 -3.548 19.178 1.00 0.00 N ATOM 1610 CZ ARG A 102 3.834 -4.679 19.762 1.00 0.00 C ATOM 1611 NH1 ARG A 102 3.834 -5.820 19.083 1.00 0.00 N ATOM 1612 NH2 ARG A 102 3.438 -4.668 21.027 1.00 0.00 N ATOM 0 H ARG A 102 7.795 -1.665 15.471 1.00 0.00 H new ATOM 0 HA ARG A 102 5.793 -3.857 15.453 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.401 -0.849 15.658 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.109 -2.020 15.493 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.054 -1.813 17.821 1.00 0.00 H new ATOM 0 HG3 ARG A 102 4.368 -1.337 17.834 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.883 -3.808 17.130 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.528 -4.129 17.643 1.00 0.00 H new ATOM 0 HE ARG A 102 4.215 -2.692 19.732 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.137 -5.834 18.109 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.531 -6.683 19.535 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.435 -3.794 21.553 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.136 -5.534 21.474 1.00 0.00 H new ATOM 1626 N SER A 103 5.622 -3.758 12.993 1.00 0.00 N ATOM 1627 CA SER A 103 5.508 -3.737 11.537 1.00 0.00 C ATOM 1628 C SER A 103 4.404 -4.676 11.049 1.00 0.00 C ATOM 1629 O SER A 103 4.331 -5.832 11.465 1.00 0.00 O ATOM 1630 CB SER A 103 6.847 -4.134 10.908 1.00 0.00 C ATOM 1631 OG SER A 103 7.665 -4.821 11.839 1.00 0.00 O ATOM 0 H SER A 103 5.408 -4.659 13.420 1.00 0.00 H new ATOM 0 HA SER A 103 5.245 -2.724 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.670 -4.767 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.364 -3.242 10.553 1.00 0.00 H new ATOM 0 HG SER A 103 8.330 -4.203 12.209 1.00 0.00 H new ATOM 1637 N ALA A 104 3.548 -4.171 10.159 1.00 0.00 N ATOM 1638 CA ALA A 104 2.448 -4.964 9.612 1.00 0.00 C ATOM 1639 C ALA A 104 2.671 -5.285 8.136 1.00 0.00 C ATOM 1640 O ALA A 104 3.097 -4.428 7.361 1.00 0.00 O ATOM 1641 CB ALA A 104 1.127 -4.228 9.790 1.00 0.00 C ATOM 0 H ALA A 104 3.596 -3.217 9.802 1.00 0.00 H new ATOM 0 HA ALA A 104 2.413 -5.905 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.317 -4.830 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.947 -4.055 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.170 -3.272 9.268 1.00 0.00 H new ATOM 1647 N PHE A 105 2.366 -6.523 7.752 1.00 0.00 N ATOM 1648 CA PHE A 105 2.523 -6.961 6.366 1.00 0.00 C ATOM 1649 C PHE A 105 1.158 -7.165 5.713 1.00 0.00 C ATOM 1650 O PHE A 105 0.328 -7.927 6.209 1.00 0.00 O ATOM 1651 CB PHE A 105 3.328 -8.264 6.306 1.00 0.00 C ATOM 1652 CG PHE A 105 4.381 -8.285 5.232 1.00 0.00 C ATOM 1653 CD1 PHE A 105 4.125 -7.762 3.974 1.00 0.00 C ATOM 1654 CD2 PHE A 105 5.628 -8.833 5.483 1.00 0.00 C ATOM 1655 CE1 PHE A 105 5.096 -7.784 2.989 1.00 0.00 C ATOM 1656 CE2 PHE A 105 6.604 -8.857 4.503 1.00 0.00 C ATOM 1657 CZ PHE A 105 6.336 -8.332 3.254 1.00 0.00 C ATOM 0 H PHE A 105 2.008 -7.241 8.382 1.00 0.00 H new ATOM 0 HA PHE A 105 3.062 -6.186 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.806 -8.428 7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.642 -9.095 6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.157 -7.333 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.841 -9.247 6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.885 -7.373 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.573 -9.285 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.095 -8.350 2.486 1.00 0.00 H new ATOM 1667 N ILE A 106 0.935 -6.478 4.597 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.323 -6.578 3.870 1.00 0.00 C ATOM 1669 C ILE A 106 -0.057 -6.710 2.375 1.00 0.00 C ATOM 1670 O ILE A 106 0.985 -6.275 1.886 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.222 -5.343 4.117 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.185 -4.927 5.595 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -2.651 -5.622 3.674 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.003 -5.821 6.504 1.00 0.00 C ATOM 0 H ILE A 106 1.614 -5.843 4.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.842 -7.464 4.236 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.834 -4.516 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.150 -4.927 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.550 -3.904 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.267 -4.741 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.662 -5.859 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.049 -6.466 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.927 -5.463 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.047 -5.802 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.625 -6.842 6.447 1.00 0.00 H new ATOM 1686 N GLY A 107 -0.997 -7.300 1.644 1.00 0.00 N ATOM 1687 CA GLY A 107 -0.822 -7.457 0.213 1.00 0.00 C ATOM 1688 C GLY A 107 -1.910 -6.760 -0.571 1.00 0.00 C ATOM 1689 O GLY A 107 -3.003 -6.542 -0.059 1.00 0.00 O ATOM 0 H GLY A 107 -1.872 -7.670 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.149 -7.057 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.818 -8.518 -0.037 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.611 -6.404 -1.812 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.580 -5.721 -2.656 1.00 0.00 C ATOM 1695 C ILE A 108 -2.472 -6.198 -4.104 1.00 0.00 C ATOM 1696 O ILE A 108 -1.408 -6.635 -4.547 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.387 -4.188 -2.568 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -2.622 -3.715 -1.131 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.316 -3.447 -3.528 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -1.357 -3.625 -0.304 1.00 0.00 C ATOM 0 H ILE A 108 -0.709 -6.576 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.580 -5.964 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.362 -3.961 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.101 -2.736 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.317 -4.398 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.151 -2.373 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.108 -3.761 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.353 -3.677 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.603 -3.283 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.888 -4.607 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.668 -2.919 -0.768 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.584 -6.122 -4.834 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.596 -6.557 -6.218 1.00 0.00 C ATOM 1714 C GLY A 109 -4.834 -6.094 -6.958 1.00 0.00 C ATOM 1715 O GLY A 109 -5.598 -5.279 -6.448 1.00 0.00 O ATOM 0 H GLY A 109 -4.476 -5.767 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.709 -6.175 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.540 -7.645 -6.255 1.00 0.00 H new ATOM 1719 N PHE A 110 -5.025 -6.602 -8.168 1.00 0.00 N ATOM 1720 CA PHE A 110 -6.178 -6.228 -8.978 1.00 0.00 C ATOM 1721 C PHE A 110 -6.448 -7.281 -10.046 1.00 0.00 C ATOM 1722 O PHE A 110 -5.557 -8.046 -10.415 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.953 -4.857 -9.628 1.00 0.00 C ATOM 1724 CG PHE A 110 -7.179 -3.980 -9.640 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -7.857 -3.696 -8.465 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -7.656 -3.443 -10.827 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -8.984 -2.895 -8.472 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -8.782 -2.640 -10.840 1.00 0.00 C ATOM 1729 CZ PHE A 110 -9.448 -2.368 -9.662 1.00 0.00 C ATOM 0 H PHE A 110 -4.398 -7.273 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 110 -7.049 -6.166 -8.326 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.154 -4.340 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.612 -5.003 -10.653 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.500 -4.106 -7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.141 -3.655 -11.753 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -9.501 -2.681 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.140 -2.226 -11.771 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.330 -1.745 -9.670 1.00 0.00 H new ATOM 1739 N THR A 111 -7.681 -7.315 -10.542 1.00 0.00 N ATOM 1740 CA THR A 111 -8.065 -8.275 -11.574 1.00 0.00 C ATOM 1741 C THR A 111 -7.329 -8.011 -12.891 1.00 0.00 C ATOM 1742 O THR A 111 -7.531 -8.723 -13.875 1.00 0.00 O ATOM 1743 CB THR A 111 -9.579 -8.231 -11.804 1.00 0.00 C ATOM 1744 OG1 THR A 111 -10.275 -8.116 -10.571 1.00 0.00 O ATOM 1745 CG2 THR A 111 -10.106 -9.453 -12.527 1.00 0.00 C ATOM 0 H THR A 111 -8.431 -6.690 -10.247 1.00 0.00 H new ATOM 0 HA THR A 111 -7.782 -9.267 -11.223 1.00 0.00 H new ATOM 0 HB THR A 111 -9.753 -7.356 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.240 -8.088 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.184 -9.361 -12.659 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.626 -9.534 -13.502 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.887 -10.345 -11.940 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.479 -6.986 -12.904 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.721 -6.630 -14.095 1.00 0.00 C ATOM 1755 C ASP A 112 -4.379 -6.011 -13.713 1.00 0.00 C ATOM 1756 O ASP A 112 -4.139 -5.697 -12.546 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.520 -5.650 -14.955 1.00 0.00 C ATOM 1758 CG ASP A 112 -7.341 -6.348 -16.020 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -6.789 -7.228 -16.711 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -8.537 -6.014 -16.162 1.00 0.00 O ATOM 0 H ASP A 112 -6.300 -6.387 -12.098 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.535 -7.538 -14.668 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.182 -5.066 -14.315 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.836 -4.948 -15.431 1.00 0.00 H new ATOM 1765 N ARG A 113 -3.509 -5.835 -14.703 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.191 -5.251 -14.472 1.00 0.00 C ATOM 1767 C ARG A 113 -2.229 -3.733 -14.630 1.00 0.00 C ATOM 1768 O ARG A 113 -1.610 -3.004 -13.855 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.164 -5.851 -15.437 1.00 0.00 C ATOM 1770 CG ARG A 113 -0.393 -7.026 -14.854 1.00 0.00 C ATOM 1771 CD ARG A 113 1.102 -6.751 -14.804 1.00 0.00 C ATOM 1772 NE ARG A 113 1.723 -7.309 -13.603 1.00 0.00 N ATOM 1773 CZ ARG A 113 1.997 -6.602 -12.509 1.00 0.00 C ATOM 1774 NH1 ARG A 113 1.700 -5.308 -12.451 1.00 0.00 N ATOM 1775 NH2 ARG A 113 2.565 -7.190 -11.464 1.00 0.00 N ATOM 0 H ARG A 113 -3.693 -6.089 -15.674 1.00 0.00 H new ATOM 0 HA ARG A 113 -1.896 -5.483 -13.449 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.676 -6.177 -16.342 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.458 -5.075 -15.732 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.758 -7.237 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.579 -7.917 -15.454 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.578 -7.175 -15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.274 -5.675 -14.834 1.00 0.00 H new ATOM 0 HE ARG A 113 1.961 -8.301 -13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.259 -4.850 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.913 -4.773 -11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.792 -8.184 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.775 -6.648 -10.626 1.00 0.00 H new ATOM 1789 N GLY A 114 -2.953 -3.263 -15.644 1.00 0.00 N ATOM 1790 CA GLY A 114 -3.052 -1.833 -15.888 1.00 0.00 C ATOM 1791 C GLY A 114 -3.382 -1.045 -14.634 1.00 0.00 C ATOM 1792 O GLY A 114 -2.652 -0.128 -14.260 1.00 0.00 O ATOM 0 H GLY A 114 -3.472 -3.846 -16.300 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.109 -1.473 -16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -3.820 -1.649 -16.640 1.00 0.00 H new ATOM 1796 N ASP A 115 -4.482 -1.403 -13.982 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.899 -0.720 -12.762 1.00 0.00 C ATOM 1798 C ASP A 115 -3.880 -0.936 -11.649 1.00 0.00 C ATOM 1799 O ASP A 115 -3.426 0.017 -11.015 1.00 0.00 O ATOM 1800 CB ASP A 115 -6.274 -1.217 -12.311 1.00 0.00 C ATOM 1801 CG ASP A 115 -7.332 -0.132 -12.381 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -7.420 0.670 -11.429 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -8.069 -0.085 -13.388 1.00 0.00 O ATOM 0 H ASP A 115 -5.100 -2.160 -14.276 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.962 0.347 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.577 -2.057 -12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.206 -1.589 -11.289 1.00 0.00 H new ATOM 1808 N ALA A 116 -3.522 -2.195 -11.418 1.00 0.00 N ATOM 1809 CA ALA A 116 -2.554 -2.535 -10.385 1.00 0.00 C ATOM 1810 C ALA A 116 -1.262 -1.740 -10.564 1.00 0.00 C ATOM 1811 O ALA A 116 -0.525 -1.510 -9.605 1.00 0.00 O ATOM 1812 CB ALA A 116 -2.267 -4.029 -10.404 1.00 0.00 C ATOM 0 H ALA A 116 -3.888 -2.996 -11.933 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.980 -2.272 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.542 -4.270 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.190 -4.579 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.863 -4.310 -11.377 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.997 -1.321 -11.799 1.00 0.00 N ATOM 1819 CA PHE A 117 0.202 -0.549 -12.105 1.00 0.00 C ATOM 1820 C PHE A 117 0.084 0.870 -11.566 1.00 0.00 C ATOM 1821 O PHE A 117 0.861 1.281 -10.705 1.00 0.00 O ATOM 1822 CB PHE A 117 0.442 -0.508 -13.617 1.00 0.00 C ATOM 1823 CG PHE A 117 1.635 0.315 -14.013 1.00 0.00 C ATOM 1824 CD1 PHE A 117 1.524 1.688 -14.172 1.00 0.00 C ATOM 1825 CD2 PHE A 117 2.866 -0.283 -14.224 1.00 0.00 C ATOM 1826 CE1 PHE A 117 2.620 2.448 -14.534 1.00 0.00 C ATOM 1827 CE2 PHE A 117 3.966 0.472 -14.587 1.00 0.00 C ATOM 1828 CZ PHE A 117 3.843 1.839 -14.741 1.00 0.00 C ATOM 0 H PHE A 117 -1.597 -1.504 -12.603 1.00 0.00 H new ATOM 0 HA PHE A 117 1.048 -1.038 -11.623 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.575 -1.526 -13.983 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.445 -0.106 -14.107 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.570 2.169 -14.011 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.968 -1.351 -14.104 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.521 3.517 -14.655 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.920 -0.007 -14.750 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.701 2.431 -15.023 1.00 0.00 H new ATOM 1838 N ASP A 118 -0.893 1.613 -12.082 1.00 0.00 N ATOM 1839 CA ASP A 118 -1.120 2.992 -11.660 1.00 0.00 C ATOM 1840 C ASP A 118 -1.148 3.110 -10.141 1.00 0.00 C ATOM 1841 O ASP A 118 -0.581 4.041 -9.569 1.00 0.00 O ATOM 1842 CB ASP A 118 -2.434 3.515 -12.242 1.00 0.00 C ATOM 1843 CG ASP A 118 -2.545 3.266 -13.732 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -1.898 4.001 -14.507 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -3.279 2.335 -14.124 1.00 0.00 O ATOM 0 H ASP A 118 -1.542 1.281 -12.796 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.292 3.594 -12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.270 3.035 -11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.514 4.585 -12.048 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.817 2.161 -9.491 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.923 2.165 -8.036 1.00 0.00 C ATOM 1852 C PHE A 119 -0.542 2.137 -7.382 1.00 0.00 C ATOM 1853 O PHE A 119 -0.152 3.076 -6.693 1.00 0.00 O ATOM 1854 CB PHE A 119 -2.758 0.972 -7.551 1.00 0.00 C ATOM 1855 CG PHE A 119 -2.434 0.549 -6.145 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -1.422 -0.362 -5.898 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -3.124 1.081 -5.071 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -1.108 -0.736 -4.612 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -2.817 0.707 -3.780 1.00 0.00 C ATOM 1860 CZ PHE A 119 -1.806 -0.203 -3.548 1.00 0.00 C ATOM 0 H PHE A 119 -2.292 1.382 -9.948 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.423 3.088 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.815 1.230 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.597 0.129 -8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.872 -0.785 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.913 1.798 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.315 -1.447 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.368 1.126 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.562 -0.497 -2.538 1.00 0.00 H new ATOM 1870 N ASN A 120 0.180 1.040 -7.582 1.00 0.00 N ATOM 1871 CA ASN A 120 1.503 0.878 -6.993 1.00 0.00 C ATOM 1872 C ASN A 120 2.418 2.048 -7.342 1.00 0.00 C ATOM 1873 O ASN A 120 3.019 2.659 -6.458 1.00 0.00 O ATOM 1874 CB ASN A 120 2.131 -0.436 -7.463 1.00 0.00 C ATOM 1875 CG ASN A 120 2.874 -1.150 -6.351 1.00 0.00 C ATOM 1876 OD1 ASN A 120 2.441 -1.148 -5.198 1.00 0.00 O ATOM 1877 ND2 ASN A 120 4.001 -1.767 -6.692 1.00 0.00 N ATOM 0 H ASN A 120 -0.129 0.250 -8.148 1.00 0.00 H new ATOM 0 HA ASN A 120 1.385 0.856 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.351 -1.090 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.818 -0.234 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.544 -2.264 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 120 4.323 -1.743 -7.660 1.00 0.00 H new ATOM 1884 N VAL A 121 2.526 2.358 -8.631 1.00 0.00 N ATOM 1885 CA VAL A 121 3.378 3.454 -9.079 1.00 0.00 C ATOM 1886 C VAL A 121 3.011 4.762 -8.384 1.00 0.00 C ATOM 1887 O VAL A 121 3.862 5.631 -8.192 1.00 0.00 O ATOM 1888 CB VAL A 121 3.300 3.652 -10.606 1.00 0.00 C ATOM 1889 CG1 VAL A 121 3.743 2.390 -11.333 1.00 0.00 C ATOM 1890 CG2 VAL A 121 1.895 4.057 -11.028 1.00 0.00 C ATOM 0 H VAL A 121 2.037 1.868 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 121 4.399 3.181 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 121 3.979 4.459 -10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.681 2.549 -12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.772 2.155 -11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.094 1.561 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.864 4.191 -12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.189 3.278 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.624 4.992 -10.539 1.00 0.00 H new ATOM 1900 N SER A 122 1.744 4.899 -8.009 1.00 0.00 N ATOM 1901 CA SER A 122 1.278 6.107 -7.336 1.00 0.00 C ATOM 1902 C SER A 122 1.883 6.219 -5.940 1.00 0.00 C ATOM 1903 O SER A 122 2.407 7.267 -5.564 1.00 0.00 O ATOM 1904 CB SER A 122 -0.249 6.122 -7.253 1.00 0.00 C ATOM 1905 OG SER A 122 -0.825 6.480 -8.497 1.00 0.00 O ATOM 0 H SER A 122 1.024 4.192 -8.158 1.00 0.00 H new ATOM 0 HA SER A 122 1.604 6.966 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.609 5.138 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.567 6.827 -6.485 1.00 0.00 H new ATOM 0 HG SER A 122 -0.943 5.677 -9.046 1.00 0.00 H new ATOM 1911 N LEU A 123 1.816 5.133 -5.177 1.00 0.00 N ATOM 1912 CA LEU A 123 2.366 5.113 -3.824 1.00 0.00 C ATOM 1913 C LEU A 123 3.829 5.556 -3.831 1.00 0.00 C ATOM 1914 O LEU A 123 4.312 6.163 -2.876 1.00 0.00 O ATOM 1915 CB LEU A 123 2.241 3.706 -3.226 1.00 0.00 C ATOM 1916 CG LEU A 123 3.177 3.402 -2.049 1.00 0.00 C ATOM 1917 CD1 LEU A 123 2.423 2.704 -0.924 1.00 0.00 C ATOM 1918 CD2 LEU A 123 4.356 2.555 -2.511 1.00 0.00 C ATOM 0 H LEU A 123 1.387 4.256 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 123 1.798 5.811 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.212 3.561 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.429 2.977 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 123 3.560 4.347 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.107 2.498 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.616 3.347 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.006 1.767 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.010 2.349 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.989 1.615 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.914 3.094 -3.277 1.00 0.00 H new ATOM 1930 N GLN A 124 4.525 5.245 -4.920 1.00 0.00 N ATOM 1931 CA GLN A 124 5.932 5.607 -5.057 1.00 0.00 C ATOM 1932 C GLN A 124 6.089 7.093 -5.361 1.00 0.00 C ATOM 1933 O GLN A 124 6.874 7.788 -4.716 1.00 0.00 O ATOM 1934 CB GLN A 124 6.593 4.776 -6.157 1.00 0.00 C ATOM 1935 CG GLN A 124 8.096 4.992 -6.260 1.00 0.00 C ATOM 1936 CD GLN A 124 8.893 3.912 -5.553 1.00 0.00 C ATOM 1937 OE1 GLN A 124 9.896 3.425 -6.074 1.00 0.00 O ATOM 1938 NE2 GLN A 124 8.451 3.532 -4.360 1.00 0.00 N ATOM 0 H GLN A 124 4.138 4.744 -5.720 1.00 0.00 H new ATOM 0 HA GLN A 124 6.425 5.397 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.398 3.720 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.132 5.022 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.384 5.021 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.349 5.963 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.615 3.962 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.948 2.810 -3.838 1.00 0.00 H new ATOM 1947 N ASP A 125 5.338 7.576 -6.347 1.00 0.00 N ATOM 1948 CA ASP A 125 5.397 8.984 -6.736 1.00 0.00 C ATOM 1949 C ASP A 125 5.266 9.898 -5.521 1.00 0.00 C ATOM 1950 O ASP A 125 5.999 10.879 -5.387 1.00 0.00 O ATOM 1951 CB ASP A 125 4.289 9.302 -7.744 1.00 0.00 C ATOM 1952 CG ASP A 125 4.742 10.279 -8.811 1.00 0.00 C ATOM 1953 OD1 ASP A 125 5.683 9.945 -9.563 1.00 0.00 O ATOM 1954 OD2 ASP A 125 4.155 11.378 -8.898 1.00 0.00 O ATOM 0 H ASP A 125 4.682 7.015 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 125 6.368 9.163 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.957 8.378 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.430 9.717 -7.217 1.00 0.00 H new ATOM 1959 N HIS A 126 4.327 9.570 -4.640 1.00 0.00 N ATOM 1960 CA HIS A 126 4.092 10.359 -3.435 1.00 0.00 C ATOM 1961 C HIS A 126 5.179 10.114 -2.394 1.00 0.00 C ATOM 1962 O HIS A 126 5.757 11.058 -1.854 1.00 0.00 O ATOM 1963 CB HIS A 126 2.725 10.020 -2.841 1.00 0.00 C ATOM 1964 CG HIS A 126 1.606 10.833 -3.408 1.00 0.00 C ATOM 1965 ND1 HIS A 126 1.798 12.041 -4.044 1.00 0.00 N ATOM 1966 CD2 HIS A 126 0.271 10.608 -3.431 1.00 0.00 C ATOM 1967 CE1 HIS A 126 0.633 12.525 -4.431 1.00 0.00 C ATOM 1968 NE2 HIS A 126 -0.312 11.674 -4.071 1.00 0.00 N ATOM 0 H HIS A 126 3.714 8.761 -4.738 1.00 0.00 H new ATOM 0 HA HIS A 126 4.115 11.412 -3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 126 2.517 8.964 -3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.760 10.169 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.241 9.749 -3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.478 13.458 -4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.311 11.790 -4.241 1.00 0.00 H new ATOM 1976 N PHE A 127 5.450 8.844 -2.112 1.00 0.00 N ATOM 1977 CA PHE A 127 6.464 8.480 -1.130 1.00 0.00 C ATOM 1978 C PHE A 127 7.813 9.108 -1.483 1.00 0.00 C ATOM 1979 O PHE A 127 8.155 10.178 -0.977 1.00 0.00 O ATOM 1980 CB PHE A 127 6.580 6.954 -1.027 1.00 0.00 C ATOM 1981 CG PHE A 127 7.293 6.483 0.207 1.00 0.00 C ATOM 1982 CD1 PHE A 127 8.676 6.523 0.279 1.00 0.00 C ATOM 1983 CD2 PHE A 127 6.582 5.996 1.293 1.00 0.00 C ATOM 1984 CE1 PHE A 127 9.337 6.084 1.411 1.00 0.00 C ATOM 1985 CE2 PHE A 127 7.238 5.557 2.428 1.00 0.00 C ATOM 1986 CZ PHE A 127 8.618 5.601 2.486 1.00 0.00 C ATOM 0 H PHE A 127 4.982 8.050 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 127 6.160 8.868 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.580 6.521 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.106 6.579 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.244 6.901 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 127 5.503 5.959 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 127 10.416 6.119 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.673 5.180 3.268 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.133 5.258 3.371 1.00 0.00 H new ATOM 1996 N LYS A 128 8.577 8.452 -2.355 1.00 0.00 N ATOM 1997 CA LYS A 128 9.878 8.968 -2.765 1.00 0.00 C ATOM 1998 C LYS A 128 9.748 9.858 -3.999 1.00 0.00 C ATOM 1999 O LYS A 128 8.834 9.689 -4.805 1.00 0.00 O ATOM 2000 CB LYS A 128 10.848 7.817 -3.047 1.00 0.00 C ATOM 2001 CG LYS A 128 10.245 6.696 -3.878 1.00 0.00 C ATOM 2002 CD LYS A 128 11.313 5.727 -4.363 1.00 0.00 C ATOM 2003 CE LYS A 128 11.758 6.051 -5.781 1.00 0.00 C ATOM 2004 NZ LYS A 128 12.519 7.328 -5.846 1.00 0.00 N ATOM 0 H LYS A 128 8.317 7.566 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 128 10.274 9.569 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 128 11.723 8.210 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.196 7.407 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.506 6.158 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 128 9.719 7.118 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 128 12.172 5.766 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 128 10.926 4.709 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.378 5.239 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 128 10.884 6.116 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.989 7.405 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 11.866 8.128 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.234 7.345 -5.091 1.00 0.00 H new ATOM 2018 N TRP A 129 10.671 10.806 -4.139 1.00 0.00 N ATOM 2019 CA TRP A 129 10.662 11.722 -5.277 1.00 0.00 C ATOM 2020 C TRP A 129 12.070 12.232 -5.575 1.00 0.00 C ATOM 2021 O TRP A 129 12.449 13.322 -5.148 1.00 0.00 O ATOM 2022 CB TRP A 129 9.724 12.902 -5.007 1.00 0.00 C ATOM 2023 CG TRP A 129 8.568 12.972 -5.959 1.00 0.00 C ATOM 2024 CD1 TRP A 129 8.533 12.513 -7.245 1.00 0.00 C ATOM 2025 CD2 TRP A 129 7.278 13.539 -5.700 1.00 0.00 C ATOM 2026 NE1 TRP A 129 7.298 12.754 -7.798 1.00 0.00 N ATOM 2027 CE2 TRP A 129 6.511 13.385 -6.870 1.00 0.00 C ATOM 2028 CE3 TRP A 129 6.697 14.159 -4.591 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 5.195 13.827 -6.962 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 5.390 14.599 -4.683 1.00 0.00 C ATOM 2031 CH2 TRP A 129 4.651 14.431 -5.861 1.00 0.00 C ATOM 0 H TRP A 129 11.434 10.960 -3.480 1.00 0.00 H new ATOM 0 HA TRP A 129 10.300 11.175 -6.148 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.343 12.828 -3.989 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.292 13.830 -5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.355 12.031 -7.753 1.00 0.00 H new ATOM 0 HE1 TRP A 129 7.013 12.504 -8.745 1.00 0.00 H new ATOM 0 HE3 TRP A 129 7.259 14.292 -3.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 4.624 13.698 -7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 4.931 15.080 -3.832 1.00 0.00 H new ATOM 0 HH2 TRP A 129 3.632 14.785 -5.901 1.00 0.00 H new