USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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 102 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 73 GLN : amide:sc= -0.756 K(o=-1,f=-4!) USER MOD Set 2.2: A 101 HIS : no HD1:sc= -0.252 X(o=-1,f=-1.5) USER MOD Single : A 17 SER OG : rot 40:sc= 0.156 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.34 USER MOD Single : A 25 MET CE :methyl 177:sc= -0.863 (180deg=-1.02) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 174:sc= -0.0691 USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.29 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.11 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 30:sc= 0.135 USER MOD Single : A 58 MET CE :methyl -154:sc= -0.438 (180deg=-1.36) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.394 K(o=-0.39,f=-4.5!) USER MOD Single : A 63 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-2.7!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0919 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.508 K(o=-0.51,f=-5.2!) USER MOD Single : A 69 ASN : amide:sc= -1.18 K(o=-1.2,f=-9.7!) USER MOD Single : A 75 THR OG1 : rot 12:sc= 1.17 USER MOD Single : A 77 MET CE :methyl -116:sc=-0.00294 (180deg=-0.0298) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -90:sc= -1.52! USER MOD Single : A 83 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.3) USER MOD Single : A 88 ASN : amide:sc= -1.19 K(o=-1.2,f=-14!) USER MOD Single : A 98 TYR OH : rot 110:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.107 USER MOD Single : A 105 TYR OH : rot -48:sc= 0.142 USER MOD Single : A 107 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -112:sc= -0.203 USER MOD Single : A 139 LYS NZ :NH3+ 149:sc= -1.04 (180deg=-1.26) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 9.167 -17.337 -10.651 1.00 0.00 N ATOM 157 CA GLY A 15 7.768 -17.515 -10.310 1.00 0.00 C ATOM 158 C GLY A 15 7.014 -16.201 -10.248 1.00 0.00 C ATOM 159 O GLY A 15 7.600 -15.154 -9.970 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.298 -18.166 -11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.693 -18.019 -9.346 1.00 0.00 H new ATOM 163 N ARG A 16 5.713 -16.254 -10.510 1.00 0.00 N ATOM 164 CA ARG A 16 4.879 -15.059 -10.486 1.00 0.00 C ATOM 165 C ARG A 16 5.040 -14.310 -9.166 1.00 0.00 C ATOM 166 O ARG A 16 5.509 -14.871 -8.176 1.00 0.00 O ATOM 167 CB ARG A 16 3.410 -15.431 -10.697 1.00 0.00 C ATOM 168 CG ARG A 16 2.961 -15.342 -12.146 1.00 0.00 C ATOM 169 CD ARG A 16 2.155 -16.565 -12.556 1.00 0.00 C ATOM 170 NE ARG A 16 2.951 -17.509 -13.335 1.00 0.00 N ATOM 171 CZ ARG A 16 2.439 -18.569 -13.951 1.00 0.00 C ATOM 172 NH1 ARG A 16 1.139 -18.818 -13.878 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.228 -19.382 -14.642 1.00 0.00 N ATOM 0 H ARG A 16 5.213 -17.112 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 16 5.201 -14.406 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.246 -16.446 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.787 -14.773 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.359 -14.444 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.833 -15.246 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.772 -17.062 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.291 -16.250 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 16 3.955 -17.346 -13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.529 -18.195 -13.348 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.748 -19.632 -14.352 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.229 -19.193 -14.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.834 -20.195 -15.114 1.00 0.00 H new ATOM 187 N SER A 17 4.650 -13.039 -9.161 1.00 0.00 N ATOM 188 CA SER A 17 4.755 -12.212 -7.965 1.00 0.00 C ATOM 189 C SER A 17 3.779 -11.041 -8.026 1.00 0.00 C ATOM 190 O SER A 17 3.960 -10.108 -8.808 1.00 0.00 O ATOM 191 CB SER A 17 6.185 -11.690 -7.805 1.00 0.00 C ATOM 192 OG SER A 17 6.920 -12.489 -6.895 1.00 0.00 O ATOM 0 H SER A 17 4.259 -12.560 -9.972 1.00 0.00 H new ATOM 0 HA SER A 17 4.501 -12.829 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.684 -11.684 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.162 -10.659 -7.452 1.00 0.00 H new ATOM 0 HG SER A 17 6.693 -13.433 -7.031 1.00 0.00 H new ATOM 198 N TRP A 18 2.743 -11.100 -7.197 1.00 0.00 N ATOM 199 CA TRP A 18 1.737 -10.045 -7.155 1.00 0.00 C ATOM 200 C TRP A 18 2.389 -8.677 -6.991 1.00 0.00 C ATOM 201 O TRP A 18 3.553 -8.576 -6.603 1.00 0.00 O ATOM 202 CB TRP A 18 0.752 -10.296 -6.012 1.00 0.00 C ATOM 203 CG TRP A 18 -0.081 -11.527 -6.204 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.283 -12.814 -5.928 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.417 -11.586 -6.717 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.747 -13.670 -6.238 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.801 -12.941 -6.723 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.326 -10.626 -7.169 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.054 -13.357 -7.164 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.569 -11.041 -7.607 1.00 0.00 C ATOM 211 CH2 TRP A 18 -3.924 -12.396 -7.602 1.00 0.00 C ATOM 0 H TRP A 18 2.578 -11.867 -6.545 1.00 0.00 H new ATOM 0 HA TRP A 18 1.195 -10.056 -8.101 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.306 -10.383 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.094 -9.433 -5.913 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.239 -13.115 -5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.730 -14.684 -6.125 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.062 -9.579 -7.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.330 -14.401 -7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.279 -10.308 -7.959 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.904 -12.688 -7.951 1.00 0.00 H new ATOM 222 N CYS A 19 1.631 -7.626 -7.287 1.00 0.00 N ATOM 223 CA CYS A 19 2.137 -6.263 -7.172 1.00 0.00 C ATOM 224 C CYS A 19 1.009 -5.249 -7.339 1.00 0.00 C ATOM 225 O CYS A 19 -0.139 -5.617 -7.591 1.00 0.00 O ATOM 226 CB CYS A 19 3.225 -6.010 -8.217 1.00 0.00 C ATOM 227 SG CYS A 19 2.603 -5.863 -9.909 1.00 0.00 S ATOM 0 H CYS A 19 0.665 -7.692 -7.608 1.00 0.00 H new ATOM 0 HA CYS A 19 2.565 -6.143 -6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.758 -5.096 -7.957 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.949 -6.824 -8.177 1.00 0.00 H new ATOM 0 HG CYS A 19 3.556 -5.441 -10.686 1.00 0.00 H new ATOM 233 N LEU A 20 1.343 -3.972 -7.194 1.00 0.00 N ATOM 234 CA LEU A 20 0.359 -2.903 -7.327 1.00 0.00 C ATOM 235 C LEU A 20 0.643 -2.051 -8.560 1.00 0.00 C ATOM 236 O LEU A 20 1.074 -0.903 -8.447 1.00 0.00 O ATOM 237 CB LEU A 20 0.358 -2.025 -6.075 1.00 0.00 C ATOM 238 CG LEU A 20 -0.070 -2.710 -4.776 1.00 0.00 C ATOM 239 CD1 LEU A 20 -0.011 -1.731 -3.613 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.469 -3.292 -4.915 1.00 0.00 C ATOM 0 H LEU A 20 2.288 -3.651 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.624 -3.360 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.362 -1.623 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.304 -1.177 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 20 0.622 -3.527 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.319 -2.235 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.008 -1.362 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.680 -0.893 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.756 -3.775 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.175 -2.493 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.480 -4.025 -5.721 1.00 0.00 H new ATOM 252 N ARG A 21 0.397 -2.619 -9.735 1.00 0.00 N ATOM 253 CA ARG A 21 0.626 -1.911 -10.989 1.00 0.00 C ATOM 254 C ARG A 21 -0.057 -0.546 -10.975 1.00 0.00 C ATOM 255 O ARG A 21 -1.278 -0.450 -11.098 1.00 0.00 O ATOM 256 CB ARG A 21 0.111 -2.738 -12.168 1.00 0.00 C ATOM 257 CG ARG A 21 0.969 -2.619 -13.417 1.00 0.00 C ATOM 258 CD ARG A 21 0.282 -3.235 -14.626 1.00 0.00 C ATOM 259 NE ARG A 21 -0.995 -2.590 -14.917 1.00 0.00 N ATOM 260 CZ ARG A 21 -1.928 -3.125 -15.698 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.726 -4.308 -16.261 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.065 -2.477 -15.915 1.00 0.00 N ATOM 0 H ARG A 21 0.039 -3.568 -9.846 1.00 0.00 H new ATOM 0 HA ARG A 21 1.700 -1.760 -11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.060 -3.786 -11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.906 -2.424 -12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.182 -1.568 -13.614 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.926 -3.113 -13.250 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.935 -3.154 -15.495 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.119 -4.298 -14.448 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.181 -1.679 -14.498 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.853 -4.809 -16.095 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.443 -4.717 -16.860 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.224 -1.567 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.780 -2.889 -16.515 1.00 0.00 H new ATOM 276 N ARG A 22 0.740 0.507 -10.823 1.00 0.00 N ATOM 277 CA ARG A 22 0.213 1.866 -10.791 1.00 0.00 C ATOM 278 C ARG A 22 -0.647 2.144 -12.020 1.00 0.00 C ATOM 279 O ARG A 22 -0.175 2.061 -13.153 1.00 0.00 O ATOM 280 CB ARG A 22 1.357 2.878 -10.716 1.00 0.00 C ATOM 281 CG ARG A 22 0.903 4.286 -10.366 1.00 0.00 C ATOM 282 CD ARG A 22 1.484 4.744 -9.037 1.00 0.00 C ATOM 283 NE ARG A 22 1.426 6.196 -8.887 1.00 0.00 N ATOM 284 CZ ARG A 22 2.190 6.878 -8.041 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.065 6.243 -7.274 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.079 8.198 -7.961 1.00 0.00 N ATOM 0 H ARG A 22 1.753 0.445 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.410 1.967 -9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.079 2.543 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.875 2.900 -11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.208 4.974 -11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.186 4.317 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.937 4.273 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.520 4.412 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 22 0.763 6.714 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.153 5.228 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.651 6.769 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.407 8.690 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.666 8.721 -7.311 1.00 0.00 H new ATOM 300 N VAL A 23 -1.914 2.475 -11.787 1.00 0.00 N ATOM 301 CA VAL A 23 -2.840 2.767 -12.874 1.00 0.00 C ATOM 302 C VAL A 23 -2.463 4.063 -13.584 1.00 0.00 C ATOM 303 O VAL A 23 -2.314 5.108 -12.953 1.00 0.00 O ATOM 304 CB VAL A 23 -4.289 2.877 -12.363 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.232 3.232 -13.502 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.716 1.581 -11.691 1.00 0.00 C ATOM 0 H VAL A 23 -2.322 2.547 -10.855 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.773 1.938 -13.578 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.335 3.676 -11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.251 3.305 -13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.937 4.188 -13.934 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.185 2.458 -14.268 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.742 1.676 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.655 0.762 -12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.058 1.375 -10.847 1.00 0.00 H new ATOM 316 N GLY A 24 -2.311 3.986 -14.903 1.00 0.00 N ATOM 317 CA GLY A 24 -1.954 5.159 -15.678 1.00 0.00 C ATOM 318 C GLY A 24 -0.463 5.253 -15.934 1.00 0.00 C ATOM 319 O GLY A 24 -0.034 5.792 -16.954 1.00 0.00 O ATOM 0 H GLY A 24 -2.429 3.132 -15.448 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.482 5.136 -16.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.286 6.054 -15.151 1.00 0.00 H new ATOM 323 N MET A 25 0.330 4.728 -15.005 1.00 0.00 N ATOM 324 CA MET A 25 1.782 4.756 -15.136 1.00 0.00 C ATOM 325 C MET A 25 2.336 3.349 -15.340 1.00 0.00 C ATOM 326 O MET A 25 1.831 2.383 -14.768 1.00 0.00 O ATOM 327 CB MET A 25 2.415 5.390 -13.896 1.00 0.00 C ATOM 328 CG MET A 25 2.613 6.893 -14.016 1.00 0.00 C ATOM 329 SD MET A 25 2.624 7.722 -12.415 1.00 0.00 S ATOM 330 CE MET A 25 3.658 6.610 -11.465 1.00 0.00 C ATOM 0 H MET A 25 -0.008 4.279 -14.154 1.00 0.00 H new ATOM 0 HA MET A 25 2.032 5.357 -16.010 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.786 5.183 -13.030 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.380 4.918 -13.709 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.553 7.092 -14.530 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.818 7.312 -14.632 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.804 7.015 -10.464 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.176 5.635 -11.395 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.625 6.502 -11.957 1.00 0.00 H new ATOM 340 N SER A 26 3.377 3.241 -16.159 1.00 0.00 N ATOM 341 CA SER A 26 3.997 1.952 -16.442 1.00 0.00 C ATOM 342 C SER A 26 5.140 1.674 -15.471 1.00 0.00 C ATOM 343 O SER A 26 5.934 0.756 -15.675 1.00 0.00 O ATOM 344 CB SER A 26 4.516 1.917 -17.881 1.00 0.00 C ATOM 345 OG SER A 26 3.446 1.862 -18.808 1.00 0.00 O ATOM 0 H SER A 26 3.809 4.031 -16.638 1.00 0.00 H new ATOM 0 HA SER A 26 3.240 1.178 -16.317 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.123 2.802 -18.074 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.163 1.051 -18.016 1.00 0.00 H new ATOM 0 HG SER A 26 3.804 1.842 -19.720 1.00 0.00 H new ATOM 351 N ALA A 27 5.216 2.474 -14.412 1.00 0.00 N ATOM 352 CA ALA A 27 6.259 2.313 -13.407 1.00 0.00 C ATOM 353 C ALA A 27 5.678 2.366 -11.998 1.00 0.00 C ATOM 354 O ALA A 27 4.461 2.397 -11.819 1.00 0.00 O ATOM 355 CB ALA A 27 7.327 3.383 -13.579 1.00 0.00 C ATOM 0 H ALA A 27 4.568 3.240 -14.228 1.00 0.00 H new ATOM 0 HA ALA A 27 6.715 1.333 -13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.100 3.251 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.772 3.297 -14.570 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.875 4.369 -13.468 1.00 0.00 H new ATOM 361 N GLY A 28 6.556 2.375 -11.000 1.00 0.00 N ATOM 362 CA GLY A 28 6.110 2.423 -9.620 1.00 0.00 C ATOM 363 C GLY A 28 5.299 1.203 -9.230 1.00 0.00 C ATOM 364 O GLY A 28 4.369 1.297 -8.429 1.00 0.00 O ATOM 0 H GLY A 28 7.568 2.350 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.977 2.504 -8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.509 3.319 -9.467 1.00 0.00 H new ATOM 368 N TRP A 29 5.651 0.055 -9.798 1.00 0.00 N ATOM 369 CA TRP A 29 4.947 -1.189 -9.506 1.00 0.00 C ATOM 370 C TRP A 29 5.399 -1.770 -8.170 1.00 0.00 C ATOM 371 O TRP A 29 6.458 -2.393 -8.079 1.00 0.00 O ATOM 372 CB TRP A 29 5.182 -2.206 -10.623 1.00 0.00 C ATOM 373 CG TRP A 29 4.607 -1.784 -11.941 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.973 -0.607 -12.219 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.611 -2.537 -13.159 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.583 -0.582 -13.537 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.963 -1.754 -14.135 1.00 0.00 C ATOM 378 CE3 TRP A 29 5.101 -3.795 -13.521 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.793 -2.191 -15.446 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.931 -4.227 -14.822 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.282 -3.427 -15.772 1.00 0.00 C ATOM 0 H TRP A 29 6.419 -0.040 -10.463 1.00 0.00 H new ATOM 0 HA TRP A 29 3.881 -0.968 -9.443 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.254 -2.368 -10.737 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.744 -3.161 -10.333 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.803 0.188 -11.508 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.091 0.185 -13.995 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.604 -4.418 -12.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.293 -1.576 -16.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.305 -5.198 -15.112 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.165 -3.793 -16.781 1.00 0.00 H new ATOM 392 N LEU A 30 4.592 -1.561 -7.136 1.00 0.00 N ATOM 393 CA LEU A 30 4.910 -2.065 -5.804 1.00 0.00 C ATOM 394 C LEU A 30 4.839 -3.588 -5.767 1.00 0.00 C ATOM 395 O LEU A 30 3.760 -4.173 -5.869 1.00 0.00 O ATOM 396 CB LEU A 30 3.949 -1.473 -4.771 1.00 0.00 C ATOM 397 CG LEU A 30 3.656 0.022 -4.906 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.624 0.458 -3.878 1.00 0.00 C ATOM 399 CD2 LEU A 30 4.936 0.831 -4.756 1.00 0.00 C ATOM 0 H LEU A 30 3.713 -1.046 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 30 5.928 -1.761 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.005 -2.015 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.359 -1.654 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 30 3.248 0.205 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.428 1.524 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.700 -0.099 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.004 0.261 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.709 1.893 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.372 0.643 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.645 0.538 -5.531 1.00 0.00 H new ATOM 411 N LEU A 31 5.996 -4.225 -5.617 1.00 0.00 N ATOM 412 CA LEU A 31 6.066 -5.681 -5.563 1.00 0.00 C ATOM 413 C LEU A 31 5.397 -6.212 -4.299 1.00 0.00 C ATOM 414 O LEU A 31 5.459 -5.585 -3.241 1.00 0.00 O ATOM 415 CB LEU A 31 7.523 -6.143 -5.616 1.00 0.00 C ATOM 416 CG LEU A 31 7.761 -7.638 -5.402 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.385 -8.423 -6.649 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.211 -7.898 -5.022 1.00 0.00 C ATOM 0 H LEU A 31 6.898 -3.756 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 31 5.534 -6.078 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.936 -5.865 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.085 -5.594 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 31 7.126 -7.974 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.561 -9.485 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.331 -8.262 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.993 -8.085 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.362 -8.967 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.865 -7.546 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.446 -7.367 -4.100 1.00 0.00 H new ATOM 430 N LEU A 32 4.761 -7.372 -4.416 1.00 0.00 N ATOM 431 CA LEU A 32 4.082 -7.990 -3.282 1.00 0.00 C ATOM 432 C LEU A 32 4.582 -9.414 -3.058 1.00 0.00 C ATOM 433 O LEU A 32 3.873 -10.381 -3.337 1.00 0.00 O ATOM 434 CB LEU A 32 2.570 -7.998 -3.510 1.00 0.00 C ATOM 435 CG LEU A 32 1.859 -6.654 -3.348 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.431 -6.739 -3.863 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.877 -6.213 -1.891 1.00 0.00 C ATOM 0 H LEU A 32 4.701 -7.904 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 32 4.306 -7.402 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.377 -8.370 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.122 -8.709 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 32 2.392 -5.910 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.059 -5.773 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.441 -7.008 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.114 -7.497 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.367 -5.255 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.369 -6.958 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.909 -6.110 -1.555 1.00 0.00 H new ATOM 449 N GLU A 33 5.805 -9.533 -2.552 1.00 0.00 N ATOM 450 CA GLU A 33 6.398 -10.839 -2.289 1.00 0.00 C ATOM 451 C GLU A 33 5.527 -11.650 -1.334 1.00 0.00 C ATOM 452 O GLU A 33 5.075 -11.143 -0.307 1.00 0.00 O ATOM 453 CB GLU A 33 7.803 -10.678 -1.704 1.00 0.00 C ATOM 454 CG GLU A 33 8.908 -11.131 -2.643 1.00 0.00 C ATOM 455 CD GLU A 33 10.258 -11.214 -1.957 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.644 -10.232 -1.287 1.00 0.00 O ATOM 457 OE2 GLU A 33 10.929 -12.258 -2.090 1.00 0.00 O ATOM 0 H GLU A 33 6.404 -8.742 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 33 6.466 -11.376 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.963 -9.631 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.869 -11.248 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.653 -12.108 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.973 -10.439 -3.482 1.00 0.00 H new ATOM 464 N ASP A 34 5.296 -12.912 -1.680 1.00 0.00 N ATOM 465 CA ASP A 34 4.480 -13.794 -0.854 1.00 0.00 C ATOM 466 C ASP A 34 5.124 -14.010 0.511 1.00 0.00 C ATOM 467 O ASP A 34 6.214 -14.572 0.612 1.00 0.00 O ATOM 468 CB ASP A 34 4.275 -15.138 -1.554 1.00 0.00 C ATOM 469 CG ASP A 34 3.773 -16.213 -0.610 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.596 -16.770 0.146 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.556 -16.496 -0.626 1.00 0.00 O ATOM 0 H ASP A 34 5.662 -13.347 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 34 3.510 -13.319 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.563 -15.014 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.217 -15.460 -1.998 1.00 0.00 H new ATOM 476 N GLY A 35 4.443 -13.559 1.560 1.00 0.00 N ATOM 477 CA GLY A 35 4.966 -13.711 2.905 1.00 0.00 C ATOM 478 C GLY A 35 5.880 -12.570 3.305 1.00 0.00 C ATOM 479 O GLY A 35 6.666 -12.696 4.244 1.00 0.00 O ATOM 0 H GLY A 35 3.538 -13.091 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.136 -13.772 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.512 -14.652 2.975 1.00 0.00 H new ATOM 483 N CYS A 36 5.779 -11.455 2.590 1.00 0.00 N ATOM 484 CA CYS A 36 6.605 -10.287 2.874 1.00 0.00 C ATOM 485 C CYS A 36 5.740 -9.059 3.136 1.00 0.00 C ATOM 486 O CYS A 36 5.004 -8.608 2.259 1.00 0.00 O ATOM 487 CB CYS A 36 7.558 -10.016 1.708 1.00 0.00 C ATOM 488 SG CYS A 36 9.092 -10.970 1.770 1.00 0.00 S ATOM 0 H CYS A 36 5.133 -11.335 1.809 1.00 0.00 H new ATOM 0 HA CYS A 36 7.189 -10.495 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.043 -10.237 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.804 -8.954 1.693 1.00 0.00 H new ATOM 0 HG CYS A 36 9.776 -10.763 0.684 1.00 0.00 H new ATOM 494 N GLU A 37 5.832 -8.525 4.350 1.00 0.00 N ATOM 495 CA GLU A 37 5.055 -7.351 4.728 1.00 0.00 C ATOM 496 C GLU A 37 5.387 -6.165 3.827 1.00 0.00 C ATOM 497 O GLU A 37 6.555 -5.852 3.599 1.00 0.00 O ATOM 498 CB GLU A 37 5.322 -6.984 6.190 1.00 0.00 C ATOM 499 CG GLU A 37 4.088 -6.496 6.930 1.00 0.00 C ATOM 500 CD GLU A 37 4.429 -5.604 8.108 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.482 -4.936 8.060 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.643 -5.575 9.078 1.00 0.00 O ATOM 0 H GLU A 37 6.436 -8.887 5.088 1.00 0.00 H new ATOM 0 HA GLU A 37 3.999 -7.593 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.724 -7.855 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.088 -6.209 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.447 -5.949 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.517 -7.355 7.283 1.00 0.00 H new ATOM 509 N VAL A 38 4.350 -5.510 3.315 1.00 0.00 N ATOM 510 CA VAL A 38 4.530 -4.359 2.438 1.00 0.00 C ATOM 511 C VAL A 38 3.865 -3.116 3.020 1.00 0.00 C ATOM 512 O VAL A 38 2.643 -2.970 2.968 1.00 0.00 O ATOM 513 CB VAL A 38 3.954 -4.627 1.035 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.125 -3.405 0.146 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.616 -5.846 0.412 1.00 0.00 C ATOM 0 H VAL A 38 3.376 -5.757 3.492 1.00 0.00 H new ATOM 0 HA VAL A 38 5.603 -4.188 2.355 1.00 0.00 H new ATOM 0 HB VAL A 38 2.888 -4.831 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.712 -3.613 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.601 -2.558 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.185 -3.168 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.197 -6.021 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.689 -5.674 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.437 -6.718 1.041 1.00 0.00 H new ATOM 525 N THR A 39 4.677 -2.221 3.574 1.00 0.00 N ATOM 526 CA THR A 39 4.169 -0.991 4.166 1.00 0.00 C ATOM 527 C THR A 39 4.474 0.212 3.281 1.00 0.00 C ATOM 528 O THR A 39 5.625 0.448 2.913 1.00 0.00 O ATOM 529 CB THR A 39 4.768 -0.751 5.565 1.00 0.00 C ATOM 530 OG1 THR A 39 6.152 -0.403 5.451 1.00 0.00 O ATOM 531 CG2 THR A 39 4.621 -1.989 6.436 1.00 0.00 C ATOM 0 H THR A 39 5.690 -2.326 3.625 1.00 0.00 H new ATOM 0 HA THR A 39 3.089 -1.107 4.257 1.00 0.00 H new ATOM 0 HB THR A 39 4.225 0.070 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.600 -0.560 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.051 -1.796 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.565 -2.234 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.142 -2.826 5.970 1.00 0.00 H new ATOM 539 N VAL A 40 3.436 0.971 2.944 1.00 0.00 N ATOM 540 CA VAL A 40 3.594 2.152 2.103 1.00 0.00 C ATOM 541 C VAL A 40 3.289 3.426 2.882 1.00 0.00 C ATOM 542 O VAL A 40 2.449 3.431 3.781 1.00 0.00 O ATOM 543 CB VAL A 40 2.678 2.088 0.867 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.995 3.225 -0.093 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.813 0.740 0.173 1.00 0.00 C ATOM 0 H VAL A 40 2.477 0.789 3.240 1.00 0.00 H new ATOM 0 HA VAL A 40 4.633 2.170 1.775 1.00 0.00 H new ATOM 0 HB VAL A 40 1.645 2.200 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.338 3.163 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.842 4.180 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.033 3.148 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.159 0.712 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.846 0.596 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.531 -0.055 0.864 1.00 0.00 H new ATOM 555 N GLY A 41 3.979 4.508 2.531 1.00 0.00 N ATOM 556 CA GLY A 41 3.767 5.774 3.208 1.00 0.00 C ATOM 557 C GLY A 41 4.868 6.776 2.922 1.00 0.00 C ATOM 558 O GLY A 41 5.539 6.694 1.892 1.00 0.00 O ATOM 0 H GLY A 41 4.680 4.530 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.810 6.193 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.707 5.602 4.283 1.00 0.00 H new ATOM 562 N ARG A 42 5.055 7.724 3.834 1.00 0.00 N ATOM 563 CA ARG A 42 6.082 8.747 3.673 1.00 0.00 C ATOM 564 C ARG A 42 6.959 8.838 4.918 1.00 0.00 C ATOM 565 O ARG A 42 7.405 9.919 5.298 1.00 0.00 O ATOM 566 CB ARG A 42 5.437 10.105 3.390 1.00 0.00 C ATOM 567 CG ARG A 42 4.551 10.606 4.519 1.00 0.00 C ATOM 568 CD ARG A 42 4.506 12.126 4.559 1.00 0.00 C ATOM 569 NE ARG A 42 3.878 12.623 5.780 1.00 0.00 N ATOM 570 CZ ARG A 42 4.488 12.658 6.959 1.00 0.00 C ATOM 571 NH1 ARG A 42 5.737 12.228 7.075 1.00 0.00 N ATOM 572 NH2 ARG A 42 3.850 13.125 8.024 1.00 0.00 N ATOM 0 H ARG A 42 4.509 7.805 4.692 1.00 0.00 H new ATOM 0 HA ARG A 42 6.710 8.467 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.221 10.838 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.844 10.033 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.542 10.214 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.923 10.227 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.519 12.521 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.957 12.495 3.693 1.00 0.00 H new ATOM 0 HE ARG A 42 2.918 12.962 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.231 11.870 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.204 12.256 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.890 13.458 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.320 13.151 8.929 1.00 0.00 H new ATOM 586 N GLY A 43 7.201 7.693 5.550 1.00 0.00 N ATOM 587 CA GLY A 43 8.023 7.665 6.746 1.00 0.00 C ATOM 588 C GLY A 43 9.390 7.060 6.496 1.00 0.00 C ATOM 589 O GLY A 43 9.624 6.446 5.454 1.00 0.00 O ATOM 0 H GLY A 43 6.843 6.785 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.142 8.680 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.512 7.093 7.521 1.00 0.00 H new ATOM 593 N PHE A 44 10.296 7.232 7.453 1.00 0.00 N ATOM 594 CA PHE A 44 11.648 6.700 7.330 1.00 0.00 C ATOM 595 C PHE A 44 11.719 5.269 7.855 1.00 0.00 C ATOM 596 O PHE A 44 12.142 5.031 8.986 1.00 0.00 O ATOM 597 CB PHE A 44 12.637 7.584 8.092 1.00 0.00 C ATOM 598 CG PHE A 44 13.187 8.715 7.270 1.00 0.00 C ATOM 599 CD1 PHE A 44 12.443 9.864 7.063 1.00 0.00 C ATOM 600 CD2 PHE A 44 14.449 8.627 6.704 1.00 0.00 C ATOM 601 CE1 PHE A 44 12.946 10.905 6.306 1.00 0.00 C ATOM 602 CE2 PHE A 44 14.958 9.665 5.947 1.00 0.00 C ATOM 603 CZ PHE A 44 14.206 10.806 5.748 1.00 0.00 C ATOM 0 H PHE A 44 10.118 7.736 8.322 1.00 0.00 H new ATOM 0 HA PHE A 44 11.915 6.694 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.142 7.993 8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.463 6.968 8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.458 9.948 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.041 7.737 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.355 11.795 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.943 9.584 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.602 11.619 5.158 1.00 0.00 H new ATOM 613 N GLY A 45 11.299 4.319 7.025 1.00 0.00 N ATOM 614 CA GLY A 45 11.322 2.924 7.423 1.00 0.00 C ATOM 615 C GLY A 45 10.438 2.057 6.548 1.00 0.00 C ATOM 616 O GLY A 45 10.769 0.905 6.265 1.00 0.00 O ATOM 0 H GLY A 45 10.943 4.491 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.346 2.554 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.996 2.840 8.460 1.00 0.00 H new ATOM 620 N VAL A 46 9.308 2.610 6.119 1.00 0.00 N ATOM 621 CA VAL A 46 8.372 1.880 5.273 1.00 0.00 C ATOM 622 C VAL A 46 9.074 1.304 4.048 1.00 0.00 C ATOM 623 O VAL A 46 9.929 1.954 3.445 1.00 0.00 O ATOM 624 CB VAL A 46 7.213 2.782 4.809 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.259 3.060 5.961 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.749 4.081 4.225 1.00 0.00 C ATOM 0 H VAL A 46 9.019 3.562 6.344 1.00 0.00 H new ATOM 0 HA VAL A 46 7.970 1.066 5.875 1.00 0.00 H new ATOM 0 HB VAL A 46 6.660 2.260 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.447 3.699 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.849 2.119 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.797 3.561 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.916 4.706 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.327 4.610 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.388 3.859 3.371 1.00 0.00 H new ATOM 636 N THR A 47 8.706 0.080 3.683 1.00 0.00 N ATOM 637 CA THR A 47 9.301 -0.586 2.531 1.00 0.00 C ATOM 638 C THR A 47 9.144 0.256 1.269 1.00 0.00 C ATOM 639 O THR A 47 10.053 0.326 0.441 1.00 0.00 O ATOM 640 CB THR A 47 8.668 -1.969 2.293 1.00 0.00 C ATOM 641 OG1 THR A 47 8.757 -2.760 3.483 1.00 0.00 O ATOM 642 CG2 THR A 47 9.359 -2.690 1.145 1.00 0.00 C ATOM 0 H THR A 47 7.998 -0.471 4.169 1.00 0.00 H new ATOM 0 HA THR A 47 10.361 -0.713 2.751 1.00 0.00 H new ATOM 0 HB THR A 47 7.620 -1.824 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.351 -3.637 3.324 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.895 -3.665 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.264 -2.099 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.415 -2.823 1.382 1.00 0.00 H new ATOM 650 N TYR A 48 7.988 0.894 1.129 1.00 0.00 N ATOM 651 CA TYR A 48 7.712 1.731 -0.033 1.00 0.00 C ATOM 652 C TYR A 48 7.425 3.169 0.387 1.00 0.00 C ATOM 653 O TYR A 48 6.528 3.425 1.190 1.00 0.00 O ATOM 654 CB TYR A 48 6.526 1.171 -0.820 1.00 0.00 C ATOM 655 CG TYR A 48 6.834 -0.124 -1.539 1.00 0.00 C ATOM 656 CD1 TYR A 48 7.976 -0.254 -2.319 1.00 0.00 C ATOM 657 CD2 TYR A 48 5.982 -1.217 -1.436 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.260 -1.435 -2.978 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.259 -2.402 -2.090 1.00 0.00 C ATOM 660 CZ TYR A 48 7.399 -2.506 -2.860 1.00 0.00 C ATOM 661 OH TYR A 48 7.679 -3.684 -3.513 1.00 0.00 O ATOM 0 H TYR A 48 7.226 0.848 1.806 1.00 0.00 H new ATOM 0 HA TYR A 48 8.597 1.728 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.692 1.008 -0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.201 1.913 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.653 0.582 -2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.088 -1.139 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.151 -1.519 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.587 -3.242 -1.999 1.00 0.00 H new ATOM 0 HH TYR A 48 6.974 -4.338 -3.325 1.00 0.00 H new ATOM 671 N GLN A 49 8.192 4.104 -0.164 1.00 0.00 N ATOM 672 CA GLN A 49 8.021 5.517 0.153 1.00 0.00 C ATOM 673 C GLN A 49 7.409 6.268 -1.025 1.00 0.00 C ATOM 674 O GLN A 49 7.942 6.242 -2.135 1.00 0.00 O ATOM 675 CB GLN A 49 9.364 6.143 0.531 1.00 0.00 C ATOM 676 CG GLN A 49 9.308 7.654 0.691 1.00 0.00 C ATOM 677 CD GLN A 49 10.632 8.244 1.132 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.631 8.161 0.416 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.648 8.845 2.316 1.00 0.00 N ATOM 0 H GLN A 49 8.938 3.909 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 49 7.342 5.594 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.712 5.700 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.100 5.894 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.011 8.105 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.540 7.910 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.797 8.891 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.511 9.261 2.665 1.00 0.00 H new ATOM 688 N LEU A 50 6.289 6.937 -0.776 1.00 0.00 N ATOM 689 CA LEU A 50 5.604 7.697 -1.816 1.00 0.00 C ATOM 690 C LEU A 50 5.722 9.196 -1.563 1.00 0.00 C ATOM 691 O LEU A 50 5.274 9.699 -0.532 1.00 0.00 O ATOM 692 CB LEU A 50 4.130 7.293 -1.883 1.00 0.00 C ATOM 693 CG LEU A 50 3.850 5.828 -2.218 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.352 5.575 -2.293 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.525 5.441 -3.526 1.00 0.00 C ATOM 0 H LEU A 50 5.836 6.969 0.137 1.00 0.00 H new ATOM 0 HA LEU A 50 6.080 7.471 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.668 7.520 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.637 7.916 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 50 4.263 5.208 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.172 4.527 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.894 5.812 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.915 6.205 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.315 4.395 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.143 6.067 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.602 5.583 -3.436 1.00 0.00 H new ATOM 707 N VAL A 51 6.325 9.906 -2.511 1.00 0.00 N ATOM 708 CA VAL A 51 6.499 11.349 -2.392 1.00 0.00 C ATOM 709 C VAL A 51 6.107 12.057 -3.684 1.00 0.00 C ATOM 710 O VAL A 51 6.420 11.591 -4.779 1.00 0.00 O ATOM 711 CB VAL A 51 7.954 11.712 -2.041 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.120 13.221 -1.947 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.372 11.040 -0.742 1.00 0.00 C ATOM 0 H VAL A 51 6.701 9.505 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 51 5.845 11.682 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 51 8.603 11.348 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.154 13.458 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.863 13.676 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.461 13.612 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.403 11.307 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.720 11.372 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.293 9.958 -0.850 1.00 0.00 H new ATOM 723 N SER A 52 5.422 13.188 -3.547 1.00 0.00 N ATOM 724 CA SER A 52 4.984 13.960 -4.704 1.00 0.00 C ATOM 725 C SER A 52 5.411 15.419 -4.576 1.00 0.00 C ATOM 726 O SER A 52 6.066 15.804 -3.607 1.00 0.00 O ATOM 727 CB SER A 52 3.464 13.873 -4.856 1.00 0.00 C ATOM 728 OG SER A 52 3.045 14.403 -6.102 1.00 0.00 O ATOM 0 H SER A 52 5.159 13.590 -2.647 1.00 0.00 H new ATOM 0 HA SER A 52 5.455 13.538 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.146 12.834 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.982 14.419 -4.045 1.00 0.00 H new ATOM 0 HG SER A 52 2.070 14.334 -6.176 1.00 0.00 H new ATOM 734 N LYS A 53 5.035 16.228 -5.561 1.00 0.00 N ATOM 735 CA LYS A 53 5.376 17.645 -5.561 1.00 0.00 C ATOM 736 C LYS A 53 4.119 18.508 -5.502 1.00 0.00 C ATOM 737 O LYS A 53 4.148 19.629 -4.993 1.00 0.00 O ATOM 738 CB LYS A 53 6.190 17.996 -6.809 1.00 0.00 C ATOM 739 CG LYS A 53 7.593 17.414 -6.803 1.00 0.00 C ATOM 740 CD LYS A 53 8.455 18.047 -5.724 1.00 0.00 C ATOM 741 CE LYS A 53 9.280 17.004 -4.986 1.00 0.00 C ATOM 742 NZ LYS A 53 10.652 16.880 -5.551 1.00 0.00 N ATOM 0 H LYS A 53 4.493 15.925 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 53 5.977 17.848 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.660 17.636 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.256 19.080 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.540 16.337 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.056 17.569 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.119 18.786 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.820 18.579 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.345 17.272 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.777 16.039 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.182 16.159 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.592 16.600 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.142 17.794 -5.477 1.00 0.00 H new ATOM 756 N ILE A 54 3.018 17.977 -6.023 1.00 0.00 N ATOM 757 CA ILE A 54 1.751 18.698 -6.027 1.00 0.00 C ATOM 758 C ILE A 54 1.111 18.691 -4.643 1.00 0.00 C ATOM 759 O ILE A 54 0.806 19.745 -4.084 1.00 0.00 O ATOM 760 CB ILE A 54 0.763 18.093 -7.041 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.366 18.109 -8.447 1.00 0.00 C ATOM 762 CG2 ILE A 54 -0.554 18.855 -7.016 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.750 19.492 -8.924 1.00 0.00 C ATOM 0 H ILE A 54 2.978 17.050 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 54 1.972 19.725 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 54 0.568 17.058 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.249 17.470 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.649 17.678 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.242 18.416 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.989 18.797 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.375 19.899 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.170 19.427 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.866 20.129 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.491 19.918 -8.247 1.00 0.00 H new ATOM 775 N CYS A 55 0.911 17.498 -4.096 1.00 0.00 N ATOM 776 CA CYS A 55 0.307 17.353 -2.776 1.00 0.00 C ATOM 777 C CYS A 55 0.833 16.107 -2.071 1.00 0.00 C ATOM 778 O CYS A 55 0.138 15.100 -1.937 1.00 0.00 O ATOM 779 CB CYS A 55 -1.216 17.282 -2.894 1.00 0.00 C ATOM 780 SG CYS A 55 -2.038 18.891 -2.819 1.00 0.00 S ATOM 0 H CYS A 55 1.158 16.616 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 55 0.578 18.226 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.475 16.797 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.603 16.651 -2.094 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.247 19.805 -3.298 1.00 0.00 H new ATOM 786 N PRO A 56 2.091 16.174 -1.611 1.00 0.00 N ATOM 787 CA PRO A 56 2.739 15.059 -0.913 1.00 0.00 C ATOM 788 C PRO A 56 2.142 14.815 0.469 1.00 0.00 C ATOM 789 O PRO A 56 2.331 13.750 1.059 1.00 0.00 O ATOM 790 CB PRO A 56 4.196 15.514 -0.794 1.00 0.00 C ATOM 791 CG PRO A 56 4.132 17.002 -0.834 1.00 0.00 C ATOM 792 CD PRO A 56 2.978 17.343 -1.735 1.00 0.00 C ATOM 0 HA PRO A 56 2.615 14.117 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.646 15.162 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.801 15.122 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.982 17.413 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.062 17.422 -1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.480 18.260 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.303 17.493 -2.765 1.00 0.00 H new ATOM 800 N LEU A 57 1.421 15.806 0.980 1.00 0.00 N ATOM 801 CA LEU A 57 0.796 15.699 2.294 1.00 0.00 C ATOM 802 C LEU A 57 -0.370 14.715 2.263 1.00 0.00 C ATOM 803 O LEU A 57 -0.737 14.141 3.288 1.00 0.00 O ATOM 804 CB LEU A 57 0.307 17.071 2.762 1.00 0.00 C ATOM 805 CG LEU A 57 1.388 18.131 2.975 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.772 19.521 3.015 1.00 0.00 C ATOM 807 CD2 LEU A 57 2.164 17.852 4.254 1.00 0.00 C ATOM 0 H LEU A 57 1.254 16.693 0.505 1.00 0.00 H new ATOM 0 HA LEU A 57 1.543 15.328 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.406 17.450 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.236 16.941 3.698 1.00 0.00 H new ATOM 0 HG LEU A 57 2.082 18.088 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.556 20.262 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.262 19.720 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.055 19.578 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.929 18.616 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.482 17.867 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.638 16.873 4.186 1.00 0.00 H new ATOM 819 N MET A 58 -0.945 14.524 1.081 1.00 0.00 N ATOM 820 CA MET A 58 -2.067 13.607 0.916 1.00 0.00 C ATOM 821 C MET A 58 -1.737 12.236 1.498 1.00 0.00 C ATOM 822 O MET A 58 -2.624 11.520 1.964 1.00 0.00 O ATOM 823 CB MET A 58 -2.431 13.472 -0.564 1.00 0.00 C ATOM 824 CG MET A 58 -3.749 12.754 -0.803 1.00 0.00 C ATOM 825 SD MET A 58 -4.451 13.113 -2.424 1.00 0.00 S ATOM 826 CE MET A 58 -5.095 14.763 -2.157 1.00 0.00 C ATOM 0 H MET A 58 -0.653 14.992 0.223 1.00 0.00 H new ATOM 0 HA MET A 58 -2.921 14.016 1.456 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.482 14.466 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.635 12.933 -1.078 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.595 11.679 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.461 13.044 -0.031 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.922 14.946 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.449 14.854 -1.130 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.307 15.494 -2.335 1.00 0.00 H new ATOM 836 N ILE A 59 -0.458 11.877 1.466 1.00 0.00 N ATOM 837 CA ILE A 59 -0.013 10.592 1.991 1.00 0.00 C ATOM 838 C ILE A 59 0.618 10.750 3.370 1.00 0.00 C ATOM 839 O ILE A 59 1.373 11.691 3.614 1.00 0.00 O ATOM 840 CB ILE A 59 1.003 9.920 1.048 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.416 9.788 -0.359 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.407 8.557 1.589 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.877 9.003 -0.403 1.00 0.00 C ATOM 0 H ILE A 59 0.288 12.457 1.082 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.898 9.960 2.069 1.00 0.00 H new ATOM 0 HB ILE A 59 1.894 10.546 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.241 10.784 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.148 9.304 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.125 8.095 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.861 8.676 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.525 7.922 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.235 8.950 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.704 7.995 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.625 9.498 0.217 1.00 0.00 H new ATOM 855 N SER A 60 0.305 9.822 4.269 1.00 0.00 N ATOM 856 CA SER A 60 0.840 9.859 5.625 1.00 0.00 C ATOM 857 C SER A 60 1.703 8.632 5.902 1.00 0.00 C ATOM 858 O SER A 60 1.641 7.640 5.177 1.00 0.00 O ATOM 859 CB SER A 60 -0.300 9.935 6.643 1.00 0.00 C ATOM 860 OG SER A 60 0.075 10.707 7.771 1.00 0.00 O ATOM 0 H SER A 60 -0.317 9.035 4.083 1.00 0.00 H new ATOM 0 HA SER A 60 1.463 10.749 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.181 10.373 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.575 8.930 6.962 1.00 0.00 H new ATOM 0 HG SER A 60 -0.671 10.742 8.406 1.00 0.00 H new ATOM 866 N ARG A 61 2.509 8.710 6.956 1.00 0.00 N ATOM 867 CA ARG A 61 3.386 7.607 7.329 1.00 0.00 C ATOM 868 C ARG A 61 2.601 6.304 7.451 1.00 0.00 C ATOM 869 O ARG A 61 1.590 6.241 8.148 1.00 0.00 O ATOM 870 CB ARG A 61 4.093 7.915 8.651 1.00 0.00 C ATOM 871 CG ARG A 61 5.130 6.875 9.043 1.00 0.00 C ATOM 872 CD ARG A 61 6.104 7.422 10.075 1.00 0.00 C ATOM 873 NE ARG A 61 5.562 7.354 11.430 1.00 0.00 N ATOM 874 CZ ARG A 61 5.545 6.245 12.160 1.00 0.00 C ATOM 875 NH1 ARG A 61 6.038 5.116 11.668 1.00 0.00 N ATOM 876 NH2 ARG A 61 5.035 6.263 13.385 1.00 0.00 N ATOM 0 H ARG A 61 2.573 9.525 7.566 1.00 0.00 H new ATOM 0 HA ARG A 61 4.133 7.488 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.577 8.889 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.348 7.990 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.630 5.994 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.678 6.554 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.036 6.858 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.345 8.457 9.833 1.00 0.00 H new ATOM 0 HE ARG A 61 5.175 8.205 11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.431 5.099 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.024 4.265 12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.655 7.129 13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.022 5.410 13.945 1.00 0.00 H new ATOM 890 N ASN A 62 3.075 5.268 6.767 1.00 0.00 N ATOM 891 CA ASN A 62 2.417 3.967 6.797 1.00 0.00 C ATOM 892 C ASN A 62 0.934 4.099 6.463 1.00 0.00 C ATOM 893 O ASN A 62 0.076 3.599 7.191 1.00 0.00 O ATOM 894 CB ASN A 62 2.585 3.319 8.173 1.00 0.00 C ATOM 895 CG ASN A 62 4.022 2.922 8.453 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.886 3.776 8.651 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.283 1.620 8.470 1.00 0.00 N ATOM 0 H ASN A 62 3.912 5.304 6.185 1.00 0.00 H new ATOM 0 HA ASN A 62 2.886 3.333 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.246 4.013 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.948 2.437 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.232 1.292 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.535 0.948 8.300 1.00 0.00 H new ATOM 904 N HIS A 63 0.640 4.776 5.358 1.00 0.00 N ATOM 905 CA HIS A 63 -0.739 4.973 4.926 1.00 0.00 C ATOM 906 C HIS A 63 -1.483 3.643 4.859 1.00 0.00 C ATOM 907 O HIS A 63 -2.696 3.588 5.067 1.00 0.00 O ATOM 908 CB HIS A 63 -0.775 5.660 3.560 1.00 0.00 C ATOM 909 CG HIS A 63 -2.065 6.366 3.279 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.191 7.739 3.295 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.291 5.882 2.970 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.438 8.069 3.011 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.126 6.959 2.809 1.00 0.00 N ATOM 0 H HIS A 63 1.338 5.197 4.745 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.235 5.610 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.043 6.378 3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.601 4.915 2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.562 4.841 2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.829 9.074 2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.117 6.911 2.572 1.00 0.00 H new ATOM 921 N CYS A 64 -0.750 2.575 4.568 1.00 0.00 N ATOM 922 CA CYS A 64 -1.341 1.245 4.473 1.00 0.00 C ATOM 923 C CYS A 64 -0.281 0.164 4.661 1.00 0.00 C ATOM 924 O CYS A 64 0.918 0.441 4.617 1.00 0.00 O ATOM 925 CB CYS A 64 -2.033 1.067 3.121 1.00 0.00 C ATOM 926 SG CYS A 64 -0.897 0.957 1.718 1.00 0.00 S ATOM 0 H CYS A 64 0.255 2.604 4.394 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.080 1.146 5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.642 0.164 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.712 1.904 2.960 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.577 0.805 0.620 1.00 0.00 H new ATOM 932 N VAL A 65 -0.731 -1.069 4.872 1.00 0.00 N ATOM 933 CA VAL A 65 0.178 -2.192 5.067 1.00 0.00 C ATOM 934 C VAL A 65 -0.435 -3.490 4.555 1.00 0.00 C ATOM 935 O VAL A 65 -1.441 -3.965 5.082 1.00 0.00 O ATOM 936 CB VAL A 65 0.548 -2.362 6.553 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.472 -3.556 6.739 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.189 -1.092 7.091 1.00 0.00 C ATOM 0 H VAL A 65 -1.720 -1.315 4.912 1.00 0.00 H new ATOM 0 HA VAL A 65 1.081 -1.972 4.498 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.365 -2.548 7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.723 -3.661 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.972 -4.461 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.384 -3.403 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.444 -1.230 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.094 -0.873 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.489 -0.262 6.993 1.00 0.00 H new ATOM 948 N LEU A 66 0.179 -4.061 3.525 1.00 0.00 N ATOM 949 CA LEU A 66 -0.305 -5.307 2.940 1.00 0.00 C ATOM 950 C LEU A 66 0.410 -6.509 3.550 1.00 0.00 C ATOM 951 O LEU A 66 1.578 -6.423 3.931 1.00 0.00 O ATOM 952 CB LEU A 66 -0.103 -5.294 1.424 1.00 0.00 C ATOM 953 CG LEU A 66 -1.057 -4.403 0.627 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.359 -3.121 0.202 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.594 -5.148 -0.586 1.00 0.00 C ATOM 0 H LEU A 66 1.013 -3.681 3.077 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.370 -5.392 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.918 -4.975 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.199 -6.315 1.056 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.898 -4.139 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.053 -2.499 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.024 -2.579 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.501 -3.365 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.271 -4.499 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.764 -5.442 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.132 -6.038 -0.258 1.00 0.00 H new ATOM 967 N LYS A 67 -0.298 -7.630 3.637 1.00 0.00 N ATOM 968 CA LYS A 67 0.269 -8.851 4.196 1.00 0.00 C ATOM 969 C LYS A 67 -0.705 -10.017 4.057 1.00 0.00 C ATOM 970 O LYS A 67 -1.919 -9.836 4.149 1.00 0.00 O ATOM 971 CB LYS A 67 0.625 -8.644 5.670 1.00 0.00 C ATOM 972 CG LYS A 67 -0.565 -8.270 6.537 1.00 0.00 C ATOM 973 CD LYS A 67 -0.256 -7.075 7.423 1.00 0.00 C ATOM 974 CE LYS A 67 0.249 -7.510 8.790 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.709 -7.156 9.873 1.00 0.00 N ATOM 0 H LYS A 67 -1.266 -7.718 3.327 1.00 0.00 H new ATOM 0 HA LYS A 67 1.175 -9.089 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.074 -9.558 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.380 -7.861 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.421 -8.042 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.846 -9.121 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.493 -6.447 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.153 -6.467 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.415 -8.587 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.212 -7.039 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.329 -7.469 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.848 -6.126 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.620 -7.626 9.698 1.00 0.00 H new ATOM 989 N GLN A 68 -0.165 -11.211 3.836 1.00 0.00 N ATOM 990 CA GLN A 68 -0.987 -12.405 3.684 1.00 0.00 C ATOM 991 C GLN A 68 -1.359 -12.986 5.045 1.00 0.00 C ATOM 992 O GLN A 68 -0.495 -13.435 5.796 1.00 0.00 O ATOM 993 CB GLN A 68 -0.250 -13.456 2.852 1.00 0.00 C ATOM 994 CG GLN A 68 0.079 -12.994 1.442 1.00 0.00 C ATOM 995 CD GLN A 68 0.760 -14.069 0.619 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.883 -14.477 0.917 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.083 -14.536 -0.423 1.00 0.00 N ATOM 0 H GLN A 68 0.838 -11.377 3.758 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.904 -12.121 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.675 -13.728 3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.860 -14.357 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.839 -12.686 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.724 -12.117 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.845 -14.170 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.491 -15.261 -1.013 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.651 -12.972 5.355 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.138 -13.497 6.626 1.00 0.00 C ATOM 1008 C ASN A 69 -2.614 -14.909 6.868 1.00 0.00 C ATOM 1009 O ASN A 69 -2.184 -15.605 5.947 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.667 -13.497 6.650 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.265 -14.102 5.394 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.800 -15.133 4.907 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.300 -13.462 4.863 1.00 0.00 N ATOM 0 H ASN A 69 -3.380 -12.603 4.744 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.769 -12.850 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.014 -14.055 7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.026 -12.474 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.743 -13.822 4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.652 -12.611 5.301 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.650 -15.345 8.136 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.183 -16.678 8.529 1.00 0.00 C ATOM 1022 C PRO A 70 -2.763 -17.778 7.646 1.00 0.00 C ATOM 1023 O PRO A 70 -2.159 -18.837 7.483 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.692 -16.822 9.965 1.00 0.00 C ATOM 1025 CG PRO A 70 -2.793 -15.426 10.474 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.149 -14.569 9.284 1.00 0.00 C ATOM 0 HA PRO A 70 -1.102 -16.776 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.659 -17.324 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.006 -17.415 10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.554 -15.349 11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.851 -15.104 10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.224 -14.402 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.677 -13.588 9.341 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.936 -17.518 7.078 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.596 -18.488 6.211 1.00 0.00 C ATOM 1036 C GLU A 71 -3.803 -18.695 4.924 1.00 0.00 C ATOM 1037 O GLU A 71 -3.695 -19.813 4.422 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.016 -18.025 5.879 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.807 -17.568 7.094 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.306 -17.660 6.882 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.812 -18.789 6.710 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.972 -16.604 6.889 1.00 0.00 O ATOM 0 H GLU A 71 -4.449 -16.645 7.202 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.646 -19.438 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.964 -17.206 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.551 -18.841 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.527 -18.176 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.540 -16.538 7.331 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.250 -17.608 4.394 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.475 -17.691 3.170 1.00 0.00 C ATOM 1051 C GLY A 72 -3.052 -16.837 2.060 1.00 0.00 C ATOM 1052 O GLY A 72 -2.800 -17.087 0.881 1.00 0.00 O ATOM 0 H GLY A 72 -3.325 -16.671 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.450 -17.377 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.432 -18.729 2.841 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.830 -15.827 2.435 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.447 -14.934 1.461 1.00 0.00 C ATOM 1058 C GLN A 73 -4.051 -13.485 1.723 1.00 0.00 C ATOM 1059 O GLN A 73 -4.037 -13.033 2.868 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.969 -15.075 1.500 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.698 -14.043 0.655 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.399 -14.183 -0.824 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.618 -15.043 -1.232 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -7.021 -13.337 -1.637 1.00 0.00 N ATOM 0 H GLN A 73 -4.048 -15.606 3.407 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.089 -15.215 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.242 -16.073 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.307 -14.991 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.772 -14.141 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.416 -13.043 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.660 -12.640 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.859 -13.384 -2.643 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.731 -12.762 0.656 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.334 -11.363 0.772 1.00 0.00 C ATOM 1075 C TRP A 74 -4.454 -10.529 1.386 1.00 0.00 C ATOM 1076 O TRP A 74 -5.634 -10.768 1.126 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.958 -10.803 -0.600 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.517 -11.016 -0.954 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.025 -11.856 -1.912 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.384 -10.381 -0.353 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.347 -11.781 -1.943 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.765 -10.882 -0.997 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.227 -9.436 0.665 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.049 -10.470 -0.653 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.048 -9.029 1.004 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.173 -9.545 0.347 1.00 0.00 C ATOM 0 H TRP A 74 -3.739 -13.121 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.465 -11.311 1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.584 -11.271 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.176 -9.735 -0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.626 -12.486 -2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.955 -12.309 -2.569 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.088 -9.032 1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.917 -10.867 -1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.181 -8.300 1.790 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.157 -9.206 0.636 1.00 0.00 H new ATOM 1097 N THR A 75 -4.077 -9.549 2.202 1.00 0.00 N ATOM 1098 CA THR A 75 -5.049 -8.681 2.853 1.00 0.00 C ATOM 1099 C THR A 75 -4.472 -7.290 3.091 1.00 0.00 C ATOM 1100 O THR A 75 -3.416 -7.144 3.708 1.00 0.00 O ATOM 1101 CB THR A 75 -5.515 -9.268 4.199 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.381 -9.647 4.986 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.413 -10.477 3.980 1.00 0.00 C ATOM 0 H THR A 75 -3.105 -9.337 2.427 1.00 0.00 H new ATOM 0 HA THR A 75 -5.905 -8.607 2.182 1.00 0.00 H new ATOM 0 HB THR A 75 -6.084 -8.503 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.567 -9.273 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.730 -10.874 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.290 -10.180 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.864 -11.244 3.434 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.170 -6.273 2.599 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.726 -4.893 2.760 1.00 0.00 C ATOM 1113 C ILE A 76 -5.321 -4.268 4.017 1.00 0.00 C ATOM 1114 O ILE A 76 -6.538 -4.253 4.199 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.109 -4.033 1.542 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.656 -2.586 1.749 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.610 -4.094 1.301 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.376 -1.850 0.458 1.00 0.00 C ATOM 0 H ILE A 76 -6.045 -6.378 2.086 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.640 -4.919 2.849 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.603 -4.430 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.425 -2.049 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.756 -2.580 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.865 -3.481 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.907 -5.126 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.135 -3.719 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.060 -0.831 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.586 -2.363 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.281 -1.824 -0.150 1.00 0.00 H new ATOM 1130 N MET A 77 -4.454 -3.752 4.882 1.00 0.00 N ATOM 1131 CA MET A 77 -4.894 -3.122 6.122 1.00 0.00 C ATOM 1132 C MET A 77 -4.411 -1.678 6.199 1.00 0.00 C ATOM 1133 O MET A 77 -3.235 -1.393 5.970 1.00 0.00 O ATOM 1134 CB MET A 77 -4.381 -3.909 7.329 1.00 0.00 C ATOM 1135 CG MET A 77 -4.825 -3.333 8.664 1.00 0.00 C ATOM 1136 SD MET A 77 -3.541 -3.432 9.925 1.00 0.00 S ATOM 1137 CE MET A 77 -2.533 -2.016 9.494 1.00 0.00 C ATOM 0 H MET A 77 -3.443 -3.758 4.747 1.00 0.00 H new ATOM 0 HA MET A 77 -5.984 -3.123 6.134 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.728 -4.940 7.254 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.292 -3.936 7.298 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.115 -2.291 8.527 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.710 -3.867 9.009 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.542 -2.354 9.189 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.000 -1.473 8.672 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.442 -1.358 10.358 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.325 -0.770 6.522 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.992 0.646 6.630 1.00 0.00 C ATOM 1149 C ASP A 78 -4.575 0.999 8.055 1.00 0.00 C ATOM 1150 O ASP A 78 -5.345 0.824 8.998 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.183 1.506 6.205 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.758 1.080 4.869 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -5.976 0.934 3.906 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.989 0.890 4.787 1.00 0.00 O ATOM 0 H ASP A 78 -6.303 -0.989 6.714 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.153 0.849 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.960 1.447 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.872 2.549 6.147 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.352 1.497 8.202 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.833 1.873 9.512 1.00 0.00 C ATOM 1161 C ASN A 79 -3.422 3.205 9.969 1.00 0.00 C ATOM 1162 O ASN A 79 -2.708 4.199 10.101 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.306 1.965 9.472 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.675 1.698 10.824 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.266 1.984 11.865 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.534 1.147 10.814 1.00 0.00 N ATOM 0 H ASN A 79 -2.702 1.650 7.431 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.125 1.103 10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.921 1.249 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.013 2.957 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.009 0.944 11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.987 0.926 9.927 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.728 3.216 10.210 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.415 4.423 10.653 1.00 0.00 C ATOM 1175 C LYS A 80 -5.108 5.595 9.727 1.00 0.00 C ATOM 1176 O LYS A 80 -4.412 6.535 10.109 1.00 0.00 O ATOM 1177 CB LYS A 80 -5.004 4.771 12.086 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.881 4.125 13.144 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.935 4.962 14.411 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.636 4.868 15.197 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.638 5.770 16.381 1.00 0.00 N ATOM 0 H LYS A 80 -5.333 2.401 10.106 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.488 4.232 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.971 4.462 12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.035 5.853 12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.889 3.993 12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.498 3.132 13.379 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.131 6.003 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.764 4.627 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.483 3.840 15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.799 5.124 14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.736 5.677 16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.758 6.754 16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.421 5.510 17.014 1.00 0.00 H new ATOM 1195 N SER A 81 -5.634 5.533 8.508 1.00 0.00 N ATOM 1196 CA SER A 81 -5.414 6.589 7.526 1.00 0.00 C ATOM 1197 C SER A 81 -6.330 7.779 7.793 1.00 0.00 C ATOM 1198 O SER A 81 -7.507 7.611 8.119 1.00 0.00 O ATOM 1199 CB SER A 81 -5.651 6.056 6.111 1.00 0.00 C ATOM 1200 OG SER A 81 -6.997 5.646 5.940 1.00 0.00 O ATOM 0 H SER A 81 -6.215 4.763 8.177 1.00 0.00 H new ATOM 0 HA SER A 81 -4.380 6.922 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.407 6.829 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.984 5.215 5.919 1.00 0.00 H new ATOM 0 HG SER A 81 -7.084 4.700 6.182 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.783 8.981 7.654 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.550 10.202 7.880 1.00 0.00 C ATOM 1208 C LEU A 82 -7.460 10.501 6.694 1.00 0.00 C ATOM 1209 O LEU A 82 -8.682 10.540 6.830 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.608 11.382 8.125 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.273 12.747 8.299 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.552 13.022 9.769 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.402 13.844 7.705 1.00 0.00 C ATOM 0 H LEU A 82 -4.811 9.137 7.386 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.172 10.052 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.018 11.171 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.911 11.444 7.289 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.224 12.737 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.026 13.998 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.216 12.253 10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.615 13.012 10.325 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.891 14.809 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.436 13.854 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.254 13.656 6.642 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.856 10.709 5.529 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.612 11.003 4.317 1.00 0.00 C ATOM 1227 C ASN A 83 -8.556 9.855 3.973 1.00 0.00 C ATOM 1228 O ASN A 83 -9.622 10.066 3.396 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.661 11.263 3.147 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.537 12.212 3.516 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.438 11.783 3.870 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.808 13.510 3.435 1.00 0.00 N ATOM 0 H ASN A 83 -5.845 10.679 5.398 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.207 11.898 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.238 10.317 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.223 11.678 2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.091 14.196 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.733 13.820 3.137 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.157 8.639 4.333 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.979 7.476 4.055 1.00 0.00 C ATOM 1241 C GLY A 84 -8.433 6.640 2.914 1.00 0.00 C ATOM 1242 O GLY A 84 -7.710 7.145 2.055 1.00 0.00 O ATOM 0 H GLY A 84 -7.279 8.439 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.048 6.861 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.991 7.800 3.812 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.779 5.356 2.905 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.319 4.448 1.862 1.00 0.00 C ATOM 1248 C VAL A 85 -9.494 3.836 1.109 1.00 0.00 C ATOM 1249 O VAL A 85 -10.509 3.479 1.707 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.451 3.316 2.445 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.825 2.494 1.329 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.381 3.886 3.364 1.00 0.00 C ATOM 0 H VAL A 85 -9.376 4.922 3.609 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.717 5.039 1.172 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.090 2.657 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.216 1.700 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.612 2.055 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.198 3.137 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.777 3.073 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.743 4.567 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.855 4.426 4.183 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.350 3.717 -0.206 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.400 3.146 -1.042 1.00 0.00 C ATOM 1264 C TRP A 86 -9.965 1.807 -1.626 1.00 0.00 C ATOM 1265 O TRP A 86 -8.772 1.554 -1.802 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.765 4.114 -2.169 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.043 5.506 -1.690 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.132 6.506 -1.501 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.319 6.052 -1.337 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.764 7.640 -1.052 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.106 7.388 -0.944 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.620 5.544 -1.317 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.146 8.218 -0.535 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.652 6.369 -0.910 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.410 7.694 -0.525 1.00 0.00 C ATOM 0 H TRP A 86 -8.516 4.008 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.277 2.979 -0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.950 4.142 -2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.643 3.736 -2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.070 6.418 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.308 8.526 -0.834 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.816 4.524 -1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.962 9.239 -0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.661 5.986 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.238 8.314 -0.214 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.937 0.953 -1.925 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.653 -0.362 -2.490 1.00 0.00 C ATOM 1288 C LEU A 87 -11.834 -0.868 -3.311 1.00 0.00 C ATOM 1289 O LEU A 87 -12.870 -1.242 -2.762 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.327 -1.358 -1.376 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.099 -2.805 -1.815 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -8.946 -2.887 -2.805 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -9.832 -3.693 -0.609 1.00 0.00 C ATOM 0 H LEU A 87 -11.929 1.147 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.790 -0.269 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.433 -1.012 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.142 -1.343 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.003 -3.161 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.798 -3.924 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.177 -2.283 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.036 -2.512 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.672 -4.719 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.944 -3.338 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.688 -3.659 0.065 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.670 -0.879 -4.630 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.723 -1.342 -5.528 1.00 0.00 C ATOM 1307 C ASN A 88 -13.964 -0.462 -5.409 1.00 0.00 C ATOM 1308 O ASN A 88 -15.089 -0.960 -5.376 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.083 -2.796 -5.218 1.00 0.00 C ATOM 1310 CG ASN A 88 -11.863 -3.695 -5.162 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -10.769 -3.301 -5.568 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.046 -4.909 -4.658 1.00 0.00 N ATOM 0 H ASN A 88 -10.819 -0.573 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.350 -1.277 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.609 -2.842 -4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.770 -3.167 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.262 -5.559 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.971 -5.192 -4.334 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.751 0.848 -5.346 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.851 1.797 -5.230 1.00 0.00 C ATOM 1321 C ARG A 89 -15.611 1.592 -3.923 1.00 0.00 C ATOM 1322 O ARG A 89 -16.840 1.529 -3.911 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.806 1.650 -6.416 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.102 1.585 -7.761 1.00 0.00 C ATOM 1325 CD ARG A 89 -14.362 2.879 -8.065 1.00 0.00 C ATOM 1326 NE ARG A 89 -13.800 2.884 -9.413 1.00 0.00 N ATOM 1327 CZ ARG A 89 -13.135 3.913 -9.927 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -12.950 5.013 -9.210 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -12.652 3.842 -11.161 1.00 0.00 N ATOM 0 H ARG A 89 -12.826 1.277 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.431 2.803 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.401 0.746 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.500 2.491 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.398 0.753 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.832 1.389 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.044 3.722 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.562 3.018 -7.338 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.925 2.053 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.319 5.071 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.439 5.801 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.791 2.997 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.142 4.632 -11.555 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.871 1.487 -2.824 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.474 1.290 -1.512 1.00 0.00 C ATOM 1345 C ALA A 90 -14.677 2.008 -0.428 1.00 0.00 C ATOM 1346 O ALA A 90 -13.551 2.448 -0.661 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.579 -0.194 -1.197 1.00 0.00 C ATOM 0 H ALA A 90 -13.852 1.535 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.476 1.718 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.031 -0.326 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.198 -0.683 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.584 -0.638 -1.201 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.269 2.124 0.756 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.614 2.790 1.876 1.00 0.00 C ATOM 1355 C ARG A 91 -14.030 1.771 2.850 1.00 0.00 C ATOM 1356 O ARG A 91 -14.714 0.837 3.271 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.604 3.700 2.605 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.941 4.694 3.543 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.633 6.006 2.838 1.00 0.00 C ATOM 1360 NE ARG A 91 -13.862 6.914 3.682 1.00 0.00 N ATOM 1361 CZ ARG A 91 -14.400 7.666 4.635 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -15.705 7.619 4.864 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -13.632 8.468 5.362 1.00 0.00 N ATOM 0 H ARG A 91 -16.201 1.766 0.965 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.799 3.395 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.193 4.246 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.299 3.084 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.594 4.882 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.019 4.266 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.078 5.803 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.566 6.488 2.545 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.855 6.974 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -16.299 7.004 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.115 8.198 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.628 8.507 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.046 9.045 6.094 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.763 1.956 3.203 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.087 1.052 4.127 1.00 0.00 C ATOM 1379 C LEU A 92 -12.073 1.628 5.539 1.00 0.00 C ATOM 1380 O LEU A 92 -12.313 2.819 5.736 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.655 0.788 3.657 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.508 0.181 2.262 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.062 0.255 1.797 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -10.999 -1.260 2.253 1.00 0.00 C ATOM 0 H LEU A 92 -12.183 2.723 2.864 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.637 0.111 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.107 1.730 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.176 0.121 4.374 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.121 0.758 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.977 -0.182 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.743 1.297 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.428 -0.297 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.887 -1.676 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.413 -1.849 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.050 -1.288 2.542 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.787 0.775 6.518 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.740 1.201 7.912 1.00 0.00 C ATOM 1398 C GLU A 93 -10.330 1.056 8.478 1.00 0.00 C ATOM 1399 O GLU A 93 -9.495 0.322 7.950 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.725 0.384 8.751 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.129 0.963 8.777 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.150 -0.007 9.341 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.061 -0.327 10.544 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.036 -0.445 8.578 1.00 0.00 O ATOM 0 H GLU A 93 -11.585 -0.214 6.372 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.023 2.253 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.767 -0.632 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.350 0.316 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.131 1.875 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.421 1.244 7.765 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.059 1.774 9.578 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.751 1.743 10.240 1.00 0.00 C ATOM 1413 C PRO A 94 -8.479 0.408 10.924 1.00 0.00 C ATOM 1414 O PRO A 94 -9.344 -0.136 11.612 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.852 2.865 11.276 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.310 2.996 11.552 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.007 2.670 10.260 1.00 0.00 C ATOM 0 HA PRO A 94 -7.932 1.871 9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.298 2.618 12.182 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.436 3.797 10.892 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.620 2.315 12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.555 4.005 11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.967 2.183 10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.206 3.567 9.673 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.273 -0.115 10.733 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.887 -1.387 11.334 1.00 0.00 C ATOM 1427 C LEU A 95 -7.917 -2.469 11.026 1.00 0.00 C ATOM 1428 O LEU A 95 -8.431 -3.126 11.932 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.729 -1.232 12.847 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.064 0.060 13.324 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.020 0.107 14.844 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.663 0.184 12.744 1.00 0.00 C ATOM 0 H LEU A 95 -6.546 0.322 10.167 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.931 -1.688 10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.716 -1.299 13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.148 -2.075 13.220 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.657 0.904 12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.544 1.033 15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.035 0.065 15.239 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.450 -0.743 15.218 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.205 1.109 13.094 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.059 -0.664 13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.720 0.196 11.656 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.212 -2.650 9.743 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.180 -3.654 9.316 1.00 0.00 C ATOM 1446 C ARG A 96 -8.577 -4.576 8.260 1.00 0.00 C ATOM 1447 O ARG A 96 -7.597 -4.226 7.602 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.435 -2.979 8.762 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.701 -3.799 8.950 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.777 -3.005 9.676 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.595 -3.854 10.537 1.00 0.00 N ATOM 1452 CZ ARG A 96 -13.225 -4.242 11.752 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -12.056 -3.860 12.247 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -14.026 -5.015 12.476 1.00 0.00 N ATOM 0 H ARG A 96 -7.795 -2.115 8.981 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.451 -4.254 10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.563 -2.012 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.293 -2.784 7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.077 -4.118 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.470 -4.702 9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.309 -2.224 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.415 -2.507 8.946 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.500 -4.166 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.438 -3.266 11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.775 -4.160 13.181 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.926 -5.311 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.741 -5.313 13.409 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.169 -5.756 8.104 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.692 -6.728 7.129 1.00 0.00 C ATOM 1470 C VAL A 97 -9.594 -6.762 5.900 1.00 0.00 C ATOM 1471 O VAL A 97 -10.819 -6.797 6.017 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.616 -8.141 7.736 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.980 -9.112 6.752 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.845 -8.117 9.047 1.00 0.00 C ATOM 0 H VAL A 97 -9.980 -6.061 8.641 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.691 -6.414 6.833 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.630 -8.483 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.935 -10.105 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.577 -9.151 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.971 -8.777 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.801 -9.124 9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.833 -7.754 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.348 -7.455 9.753 1.00 0.00 H new ATOM 1484 N TYR A 98 -8.980 -6.752 4.722 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.728 -6.780 3.471 1.00 0.00 C ATOM 1486 C TYR A 98 -9.064 -7.711 2.460 1.00 0.00 C ATOM 1487 O TYR A 98 -7.942 -7.467 2.017 1.00 0.00 O ATOM 1488 CB TYR A 98 -9.838 -5.371 2.886 1.00 0.00 C ATOM 1489 CG TYR A 98 -10.751 -4.458 3.673 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.132 -4.579 3.583 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.233 -3.475 4.507 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -12.971 -3.747 4.300 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.064 -2.640 5.229 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.432 -2.780 5.121 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.262 -1.949 5.837 1.00 0.00 O ATOM 0 H TYR A 98 -7.967 -6.725 4.607 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.728 -7.157 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.844 -4.926 2.842 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.202 -5.440 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.557 -5.337 2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.162 -3.362 4.592 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.043 -3.854 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.645 -1.882 5.874 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.203 -2.170 6.790 1.00 0.00 H new ATOM 1505 N SER A 99 -9.768 -8.780 2.100 1.00 0.00 N ATOM 1506 CA SER A 99 -9.247 -9.751 1.145 1.00 0.00 C ATOM 1507 C SER A 99 -9.270 -9.185 -0.272 1.00 0.00 C ATOM 1508 O SER A 99 -10.326 -8.813 -0.786 1.00 0.00 O ATOM 1509 CB SER A 99 -10.064 -11.043 1.203 1.00 0.00 C ATOM 1510 OG SER A 99 -11.366 -10.802 1.706 1.00 0.00 O ATOM 0 H SER A 99 -10.700 -8.995 2.455 1.00 0.00 H new ATOM 0 HA SER A 99 -8.214 -9.970 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.131 -11.479 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.555 -11.770 1.836 1.00 0.00 H new ATOM 0 HG SER A 99 -11.868 -11.643 1.731 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.099 -9.123 -0.896 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.984 -8.603 -2.253 1.00 0.00 C ATOM 1518 C ILE A 100 -7.725 -9.726 -3.252 1.00 0.00 C ATOM 1519 O ILE A 100 -7.222 -10.790 -2.889 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.854 -7.563 -2.364 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.498 -8.221 -2.103 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.090 -6.419 -1.389 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.331 -7.265 -2.217 1.00 0.00 C ATOM 0 H ILE A 100 -7.217 -9.426 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.934 -8.122 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.851 -7.158 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.502 -8.659 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.358 -9.039 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.283 -5.692 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.040 -5.937 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.116 -6.808 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.402 -7.800 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.301 -6.845 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.448 -6.460 -1.491 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.070 -9.482 -4.512 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.873 -10.472 -5.565 1.00 0.00 C ATOM 1537 C HIS A 101 -7.420 -9.805 -6.860 1.00 0.00 C ATOM 1538 O HIS A 101 -7.196 -8.596 -6.900 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.163 -11.256 -5.805 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.814 -11.739 -4.545 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.278 -12.733 -3.754 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.963 -11.358 -3.940 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -10.069 -12.944 -2.718 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -11.099 -12.122 -2.807 1.00 0.00 N ATOM 0 H HIS A 101 -8.488 -8.607 -4.829 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.093 -11.161 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.866 -10.625 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.945 -12.113 -6.443 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.646 -10.595 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.902 -13.666 -1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.870 -12.064 -2.142 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.287 -10.603 -7.915 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.859 -10.089 -9.211 1.00 0.00 C ATOM 1554 C GLN A 102 -7.954 -9.238 -9.847 1.00 0.00 C ATOM 1555 O GLN A 102 -8.878 -9.762 -10.468 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.487 -11.243 -10.143 1.00 0.00 C ATOM 1557 CG GLN A 102 -5.365 -10.904 -11.112 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.774 -9.865 -12.137 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -6.959 -9.694 -12.426 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.793 -9.164 -12.694 1.00 0.00 N ATOM 0 H GLN A 102 -7.469 -11.606 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.982 -9.462 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.190 -12.103 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.369 -11.540 -10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.505 -10.537 -10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.048 -11.811 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.825 -9.339 -12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.008 -8.451 -13.391 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.842 -7.923 -9.689 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.829 -7.021 -10.253 1.00 0.00 C ATOM 1571 C GLY A 103 -9.339 -6.013 -9.243 1.00 0.00 C ATOM 1572 O GLY A 103 -10.517 -5.655 -9.253 1.00 0.00 O ATOM 0 H GLY A 103 -7.085 -7.466 -9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.391 -6.492 -11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.668 -7.601 -10.638 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.452 -5.557 -8.366 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.818 -4.584 -7.343 1.00 0.00 C ATOM 1578 C ASP A 104 -8.152 -3.238 -7.609 1.00 0.00 C ATOM 1579 O ASP A 104 -7.098 -3.170 -8.240 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.424 -5.097 -5.957 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.178 -6.354 -5.569 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.885 -6.913 -6.433 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.063 -6.778 -4.400 1.00 0.00 O ATOM 0 H ASP A 104 -7.474 -5.845 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.899 -4.447 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.353 -5.299 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.615 -4.319 -5.217 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.776 -2.170 -7.125 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.245 -0.825 -7.313 1.00 0.00 C ATOM 1590 C TYR A 105 -8.036 -0.128 -5.972 1.00 0.00 C ATOM 1591 O TYR A 105 -8.996 0.268 -5.310 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.191 0.001 -8.187 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.748 0.103 -9.629 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.657 -1.028 -10.431 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.422 1.332 -10.191 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.252 -0.939 -11.748 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.018 1.430 -11.508 1.00 0.00 C ATOM 1598 CZ TYR A 105 -7.934 0.292 -12.283 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.532 0.384 -13.595 1.00 0.00 O ATOM 0 H TYR A 105 -9.650 -2.209 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.279 -0.910 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.186 -0.443 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.275 1.004 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.907 -1.994 -10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.486 2.225 -9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.185 -1.829 -12.356 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.769 2.393 -11.929 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.844 -0.291 -13.775 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.775 0.017 -5.578 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.439 0.667 -4.318 1.00 0.00 C ATOM 1611 C ILE A 106 -6.137 2.147 -4.525 1.00 0.00 C ATOM 1612 O ILE A 106 -5.346 2.512 -5.394 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.227 -0.004 -3.645 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.505 -1.490 -3.408 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.896 0.694 -2.334 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.985 -2.385 -4.510 1.00 0.00 C ATOM 0 H ILE A 106 -5.970 -0.307 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.308 0.564 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.367 0.084 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.052 -1.790 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.580 -1.639 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.037 0.209 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.660 1.740 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.753 0.634 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.217 -3.424 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.457 -2.112 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.905 -2.266 -4.597 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.771 2.993 -3.720 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.568 4.434 -3.816 1.00 0.00 C ATOM 1630 C GLN A 107 -6.109 5.009 -2.480 1.00 0.00 C ATOM 1631 O GLN A 107 -6.795 4.876 -1.466 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.858 5.123 -4.264 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.623 6.397 -5.060 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.911 7.018 -5.561 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.203 6.991 -6.757 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.692 7.583 -4.647 1.00 0.00 N ATOM 0 H GLN A 107 -7.429 2.706 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.790 4.617 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.440 4.428 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.458 5.359 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.095 7.118 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.976 6.176 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.412 7.583 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.572 8.017 -4.926 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.944 5.647 -2.485 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.391 6.242 -1.273 1.00 0.00 C ATOM 1647 C LEU A 108 -4.749 7.722 -1.182 1.00 0.00 C ATOM 1648 O LEU A 108 -4.092 8.568 -1.787 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.872 6.070 -1.244 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.360 4.631 -1.171 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.846 4.608 -1.029 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -3.017 3.889 -0.016 1.00 0.00 C ATOM 0 H LEU A 108 -4.364 5.766 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.824 5.729 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.457 6.537 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.481 6.617 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.624 4.125 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.501 3.575 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.392 5.101 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.558 5.132 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.641 2.867 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.784 4.395 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.097 3.873 -0.161 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.794 8.027 -0.419 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.220 9.406 -0.261 1.00 0.00 C ATOM 1666 C GLY A 109 -7.486 9.714 -1.034 1.00 0.00 C ATOM 1667 O GLY A 109 -8.143 8.810 -1.551 1.00 0.00 O ATOM 0 H GLY A 109 -6.353 7.344 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.384 9.613 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.423 10.070 -0.596 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.832 10.995 -1.114 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.028 11.421 -1.830 1.00 0.00 C ATOM 1673 C VAL A 110 -8.692 12.461 -2.893 1.00 0.00 C ATOM 1674 O VAL A 110 -7.684 13.163 -2.813 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.079 12.008 -0.868 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.807 10.895 -0.129 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.425 12.971 0.111 1.00 0.00 C ATOM 0 H VAL A 110 -7.300 11.756 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.441 10.534 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.813 12.563 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.545 11.328 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.309 10.248 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.089 10.310 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.181 13.376 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.670 12.442 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.955 13.786 -0.439 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.556 12.564 -3.914 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.373 13.516 -5.013 1.00 0.00 C ATOM 1689 C PRO A 111 -9.574 14.961 -4.568 1.00 0.00 C ATOM 1690 O PRO A 111 -10.562 15.286 -3.908 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.454 13.111 -6.018 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.504 12.447 -5.197 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.779 11.759 -4.073 1.00 0.00 C ATOM 0 HA PRO A 111 -8.361 13.481 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.852 13.979 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.057 12.435 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.217 13.176 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.070 11.731 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.373 11.746 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.549 10.722 -4.318 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.633 15.824 -4.933 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.708 17.236 -4.572 1.00 0.00 C ATOM 1703 C LEU A 112 -9.951 17.886 -5.170 1.00 0.00 C ATOM 1704 O LEU A 112 -10.774 17.216 -5.793 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.454 17.971 -5.049 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.121 17.434 -4.527 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -4.997 17.761 -5.498 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.820 18.004 -3.149 1.00 0.00 C ATOM 0 H LEU A 112 -7.809 15.571 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.772 17.305 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.433 17.942 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.539 19.018 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.196 16.350 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.056 17.371 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.208 17.305 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.921 18.842 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.868 17.611 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.764 19.091 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.612 17.719 -2.456 1.00 0.00 H new ATOM 1800 N ALA A 118 -8.184 10.640 -7.819 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.978 10.629 -7.002 1.00 0.00 C ATOM 1802 C ALA A 118 -5.730 10.476 -7.865 1.00 0.00 C ATOM 1803 O ALA A 118 -5.785 9.904 -8.953 1.00 0.00 O ATOM 1804 CB ALA A 118 -7.048 9.512 -5.971 1.00 0.00 C ATOM 0 HA ALA A 118 -6.914 11.585 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.140 9.516 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.913 9.666 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.141 8.553 -6.480 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.608 10.992 -7.374 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.348 10.913 -8.103 1.00 0.00 C ATOM 1812 C GLU A 119 -2.693 9.548 -7.912 1.00 0.00 C ATOM 1813 O GLU A 119 -1.977 9.064 -8.788 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.395 12.018 -7.640 1.00 0.00 C ATOM 1815 CG GLU A 119 -3.004 13.409 -7.696 1.00 0.00 C ATOM 1816 CD GLU A 119 -3.067 13.962 -9.106 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -3.739 13.342 -9.956 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -2.445 15.015 -9.360 1.00 0.00 O ATOM 0 H GLU A 119 -4.546 11.469 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.562 11.048 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.079 11.809 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.499 11.997 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.010 13.378 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.418 14.083 -7.071 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.944 8.935 -6.761 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.377 7.627 -6.452 1.00 0.00 C ATOM 1827 C TYR A 120 -3.386 6.517 -6.729 1.00 0.00 C ATOM 1828 O TYR A 120 -4.418 6.422 -6.065 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.931 7.574 -4.990 1.00 0.00 C ATOM 1830 CG TYR A 120 -1.002 8.701 -4.599 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.374 8.577 -4.748 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -1.500 9.889 -4.079 1.00 0.00 C ATOM 1833 CE1 TYR A 120 1.226 9.603 -4.391 1.00 0.00 C ATOM 1834 CE2 TYR A 120 -0.655 10.921 -3.721 1.00 0.00 C ATOM 1835 CZ TYR A 120 0.707 10.774 -3.878 1.00 0.00 C ATOM 1836 OH TYR A 120 1.552 11.799 -3.521 1.00 0.00 O ATOM 0 H TYR A 120 -3.536 9.322 -6.026 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.510 7.473 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.812 7.602 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.432 6.623 -4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.784 7.662 -5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.566 10.008 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.293 9.490 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.059 11.839 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 120 1.026 12.552 -3.179 1.00 0.00 H new ATOM 1846 N GLU A 121 -3.079 5.679 -7.715 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.959 4.575 -8.080 1.00 0.00 C ATOM 1848 C GLU A 121 -3.151 3.363 -8.534 1.00 0.00 C ATOM 1849 O GLU A 121 -2.133 3.500 -9.213 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.920 5.006 -9.190 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.122 5.786 -8.686 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.833 6.542 -9.792 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.223 6.739 -10.863 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.000 6.935 -9.585 1.00 0.00 O ATOM 0 H GLU A 121 -2.229 5.744 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.535 4.296 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.378 5.617 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.269 4.120 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.823 5.099 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.798 6.490 -7.920 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.611 2.177 -8.153 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.931 0.940 -8.517 1.00 0.00 C ATOM 1863 C TYR A 122 -3.926 -0.103 -9.016 1.00 0.00 C ATOM 1864 O TYR A 122 -5.121 0.168 -9.128 1.00 0.00 O ATOM 1865 CB TYR A 122 -2.155 0.388 -7.320 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.373 1.442 -6.568 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.954 2.159 -5.531 1.00 0.00 C ATOM 1868 CD2 TYR A 122 -0.051 1.719 -6.896 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -1.244 3.123 -4.842 1.00 0.00 C ATOM 1870 CE2 TYR A 122 0.668 2.680 -6.211 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.067 3.379 -5.186 1.00 0.00 C ATOM 1872 OH TYR A 122 0.779 4.337 -4.501 1.00 0.00 O ATOM 0 H TYR A 122 -4.453 2.046 -7.592 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.232 1.164 -9.323 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.854 -0.092 -6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.468 -0.384 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.980 1.960 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.422 1.174 -7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.712 3.673 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.695 2.882 -6.477 1.00 0.00 H new ATOM 0 HH TYR A 122 1.687 4.393 -4.866 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.423 -1.297 -9.315 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.267 -2.381 -9.802 1.00 0.00 C ATOM 1884 C GLU A 123 -3.663 -3.739 -9.457 1.00 0.00 C ATOM 1885 O GLU A 123 -2.705 -4.184 -10.090 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.460 -2.266 -11.316 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.589 -3.130 -11.853 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.854 -2.894 -13.327 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.341 -1.892 -13.868 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.573 -3.710 -13.939 1.00 0.00 O ATOM 0 H GLU A 123 -2.436 -1.537 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.237 -2.300 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.658 -1.225 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.532 -2.545 -11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.344 -4.180 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.498 -2.926 -11.287 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.229 -4.394 -8.448 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.748 -5.701 -8.019 1.00 0.00 C ATOM 1899 C VAL A 124 -3.646 -6.664 -9.196 1.00 0.00 C ATOM 1900 O VAL A 124 -4.659 -7.102 -9.744 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.668 -6.314 -6.946 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.166 -7.689 -6.534 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.770 -5.391 -5.742 1.00 0.00 C ATOM 0 H VAL A 124 -5.022 -4.040 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.757 -5.548 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.665 -6.431 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.829 -8.106 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.151 -8.346 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.158 -7.602 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.424 -5.840 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.779 -5.240 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.181 -4.431 -6.054 1.00 0.00 H new ATOM 1913 N THR A 125 -2.417 -6.991 -9.582 1.00 0.00 N ATOM 1914 CA THR A 125 -2.182 -7.902 -10.695 1.00 0.00 C ATOM 1915 C THR A 125 -1.000 -8.822 -10.413 1.00 0.00 C ATOM 1916 O THR A 125 -0.039 -8.427 -9.755 1.00 0.00 O ATOM 1917 CB THR A 125 -1.919 -7.134 -12.004 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.878 -8.045 -13.108 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.609 -6.364 -11.926 1.00 0.00 C ATOM 0 H THR A 125 -1.568 -6.638 -9.140 1.00 0.00 H new ATOM 0 HA THR A 125 -3.086 -8.501 -10.809 1.00 0.00 H new ATOM 0 HB THR A 125 -2.732 -6.423 -12.151 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.712 -7.548 -13.936 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.445 -5.830 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.655 -5.650 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.213 -7.060 -11.757 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.078 -10.050 -10.917 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.013 -11.026 -10.718 1.00 0.00 C ATOM 1929 C GLU A 126 0.868 -11.130 -11.960 1.00 0.00 C ATOM 1930 O GLU A 126 0.415 -11.560 -13.020 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.603 -12.397 -10.382 1.00 0.00 C ATOM 1932 CG GLU A 126 0.338 -13.286 -9.586 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.118 -14.732 -9.550 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.243 -15.012 -10.012 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.653 -15.584 -9.060 1.00 0.00 O ATOM 0 H GLU A 126 -1.867 -10.392 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 126 0.602 -10.689 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.524 -12.258 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.872 -12.904 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.336 -13.234 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.415 -12.907 -8.567 1.00 0.00 H new ATOM 1942 N GLU A 127 2.129 -10.732 -11.818 1.00 0.00 N ATOM 1943 CA GLU A 127 3.073 -10.779 -12.929 1.00 0.00 C ATOM 1944 C GLU A 127 4.415 -11.346 -12.477 1.00 0.00 C ATOM 1945 O GLU A 127 4.754 -11.302 -11.295 1.00 0.00 O ATOM 1946 CB GLU A 127 3.270 -9.381 -13.519 1.00 0.00 C ATOM 1947 CG GLU A 127 1.989 -8.756 -14.044 1.00 0.00 C ATOM 1948 CD GLU A 127 1.409 -9.514 -15.222 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.078 -10.446 -15.716 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.286 -9.175 -15.651 1.00 0.00 O ATOM 0 H GLU A 127 2.520 -10.374 -10.946 1.00 0.00 H new ATOM 0 HA GLU A 127 2.661 -11.434 -13.696 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.695 -8.730 -12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.996 -9.437 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.252 -8.720 -13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.187 -7.726 -14.342 1.00 0.00 H new ATOM 1957 N ASP A 128 5.175 -11.880 -13.428 1.00 0.00 N ATOM 1958 CA ASP A 128 6.481 -12.457 -13.129 1.00 0.00 C ATOM 1959 C ASP A 128 7.460 -11.378 -12.678 1.00 0.00 C ATOM 1960 O ASP A 128 7.360 -10.223 -13.091 1.00 0.00 O ATOM 1961 CB ASP A 128 7.033 -13.184 -14.356 1.00 0.00 C ATOM 1962 CG ASP A 128 6.218 -14.409 -14.719 1.00 0.00 C ATOM 1963 OD1 ASP A 128 5.981 -15.250 -13.826 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.816 -14.527 -15.895 1.00 0.00 O ATOM 0 H ASP A 128 4.909 -11.925 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 128 6.358 -13.173 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.050 -12.499 -15.203 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.064 -13.481 -14.165 1.00 0.00 H new ATOM 1969 N TRP A 129 8.405 -11.763 -11.828 1.00 0.00 N ATOM 1970 CA TRP A 129 9.403 -10.828 -11.319 1.00 0.00 C ATOM 1971 C TRP A 129 10.181 -10.186 -12.463 1.00 0.00 C ATOM 1972 O TRP A 129 10.590 -9.030 -12.374 1.00 0.00 O ATOM 1973 CB TRP A 129 10.365 -11.543 -10.370 1.00 0.00 C ATOM 1974 CG TRP A 129 11.617 -10.766 -10.096 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.858 -11.003 -10.615 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.749 -9.629 -9.237 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.754 -10.081 -10.130 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.098 -9.226 -9.283 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.859 -8.910 -8.434 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.576 -8.139 -8.556 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.335 -7.831 -7.714 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.682 -7.453 -7.779 1.00 0.00 C ATOM 0 H TRP A 129 8.502 -12.716 -11.477 1.00 0.00 H new ATOM 0 HA TRP A 129 8.882 -10.042 -10.772 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.855 -11.740 -9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.632 -12.510 -10.796 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.099 -11.798 -11.305 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.746 -10.040 -10.363 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.818 -9.193 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.615 -7.848 -8.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.656 -7.269 -7.090 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.022 -6.604 -7.205 1.00 0.00 H new ATOM 1993 N GLU A 130 10.380 -10.945 -13.536 1.00 0.00 N ATOM 1994 CA GLU A 130 11.110 -10.449 -14.697 1.00 0.00 C ATOM 1995 C GLU A 130 10.269 -9.445 -15.480 1.00 0.00 C ATOM 1996 O GLU A 130 10.752 -8.810 -16.418 1.00 0.00 O ATOM 1997 CB GLU A 130 11.517 -11.610 -15.606 1.00 0.00 C ATOM 1998 CG GLU A 130 12.107 -12.792 -14.857 1.00 0.00 C ATOM 1999 CD GLU A 130 13.380 -13.312 -15.497 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.378 -13.531 -16.727 1.00 0.00 O ATOM 2001 OE2 GLU A 130 14.377 -13.501 -14.770 1.00 0.00 O ATOM 0 H GLU A 130 10.046 -11.905 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 130 12.008 -9.945 -14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.644 -11.945 -16.166 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.245 -11.252 -16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.316 -12.498 -13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.371 -13.595 -14.816 1.00 0.00 H new ATOM 2008 N THR A 131 9.006 -9.307 -15.089 1.00 0.00 N ATOM 2009 CA THR A 131 8.096 -8.383 -15.754 1.00 0.00 C ATOM 2010 C THR A 131 7.966 -7.081 -14.972 1.00 0.00 C ATOM 2011 O THR A 131 7.785 -6.012 -15.555 1.00 0.00 O ATOM 2012 CB THR A 131 6.698 -9.003 -15.933 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.785 -10.187 -16.733 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.746 -8.012 -16.587 1.00 0.00 C ATOM 0 H THR A 131 8.590 -9.824 -14.314 1.00 0.00 H new ATOM 0 HA THR A 131 8.520 -8.173 -16.736 1.00 0.00 H new ATOM 0 HB THR A 131 6.310 -9.259 -14.947 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.892 -10.576 -16.840 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.765 -8.472 -16.703 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.658 -7.124 -15.961 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.132 -7.729 -17.566 1.00 0.00 H new ATOM 2022 N ILE A 132 8.062 -7.178 -13.650 1.00 0.00 N ATOM 2023 CA ILE A 132 7.957 -6.006 -12.789 1.00 0.00 C ATOM 2024 C ILE A 132 9.335 -5.472 -12.418 1.00 0.00 C ATOM 2025 O ILE A 132 9.471 -4.335 -11.964 1.00 0.00 O ATOM 2026 CB ILE A 132 7.177 -6.324 -11.499 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.841 -6.990 -11.836 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.953 -5.055 -10.690 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.270 -7.807 -10.698 1.00 0.00 C ATOM 0 H ILE A 132 8.212 -8.055 -13.152 1.00 0.00 H new ATOM 0 HA ILE A 132 7.416 -5.247 -13.353 1.00 0.00 H new ATOM 0 HB ILE A 132 7.765 -7.017 -10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.122 -6.221 -12.117 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.974 -7.635 -12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.401 -5.295 -9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.916 -4.618 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.382 -4.341 -11.284 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.323 -8.250 -11.007 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.970 -8.598 -10.431 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.104 -7.162 -9.835 1.00 0.00 H new ATOM 2041 N TYR A 133 10.357 -6.298 -12.614 1.00 0.00 N ATOM 2042 CA TYR A 133 11.726 -5.909 -12.299 1.00 0.00 C ATOM 2043 C TYR A 133 12.099 -4.608 -13.004 1.00 0.00 C ATOM 2044 O TYR A 133 12.502 -3.627 -12.379 1.00 0.00 O ATOM 2045 CB TYR A 133 12.700 -7.017 -12.704 1.00 0.00 C ATOM 2046 CG TYR A 133 14.077 -6.511 -13.069 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.764 -5.642 -12.230 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.690 -6.901 -14.253 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.022 -5.177 -12.560 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.949 -6.442 -14.590 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.610 -5.579 -13.741 1.00 0.00 C ATOM 2052 OH TYR A 133 17.864 -5.118 -14.073 1.00 0.00 O ATOM 0 H TYR A 133 10.263 -7.242 -12.990 1.00 0.00 H new ATOM 0 HA TYR A 133 11.792 -5.751 -11.223 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.790 -7.728 -11.883 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.285 -7.561 -13.553 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.307 -5.325 -11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.174 -7.574 -14.921 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.543 -4.502 -11.897 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.413 -6.757 -15.513 1.00 0.00 H new ATOM 0 HH TYR A 133 18.134 -5.497 -14.935 1.00 0.00 H new ATOM 2062 N PRO A 134 11.960 -4.598 -14.338 1.00 0.00 N ATOM 2063 CA PRO A 134 12.275 -3.424 -15.158 1.00 0.00 C ATOM 2064 C PRO A 134 11.569 -2.166 -14.665 1.00 0.00 C ATOM 2065 O PRO A 134 12.188 -1.110 -14.525 1.00 0.00 O ATOM 2066 CB PRO A 134 11.763 -3.815 -16.547 1.00 0.00 C ATOM 2067 CG PRO A 134 11.814 -5.303 -16.565 1.00 0.00 C ATOM 2068 CD PRO A 134 11.484 -5.732 -15.148 1.00 0.00 C ATOM 0 HA PRO A 134 13.337 -3.182 -15.132 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.749 -3.452 -16.712 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.386 -3.388 -17.333 1.00 0.00 H new ATOM 0 HG2 PRO A 134 11.097 -5.713 -17.277 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.800 -5.659 -16.864 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.415 -5.901 -15.016 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.989 -6.660 -14.879 1.00 0.00 H new ATOM 2076 N CYS A 135 10.272 -2.285 -14.402 1.00 0.00 N ATOM 2077 CA CYS A 135 9.482 -1.156 -13.924 1.00 0.00 C ATOM 2078 C CYS A 135 9.062 -1.362 -12.472 1.00 0.00 C ATOM 2079 O CYS A 135 7.872 -1.411 -12.160 1.00 0.00 O ATOM 2080 CB CYS A 135 8.246 -0.963 -14.803 1.00 0.00 C ATOM 2081 SG CYS A 135 8.595 -0.956 -16.577 1.00 0.00 S ATOM 0 H CYS A 135 9.746 -3.152 -14.512 1.00 0.00 H new ATOM 0 HA CYS A 135 10.102 -0.261 -13.980 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.532 -1.758 -14.587 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.766 -0.022 -14.534 1.00 0.00 H new ATOM 0 HG CYS A 135 7.487 -0.789 -17.237 1.00 0.00 H new ATOM 2087 N LEU A 136 10.047 -1.485 -11.589 1.00 0.00 N ATOM 2088 CA LEU A 136 9.780 -1.688 -10.169 1.00 0.00 C ATOM 2089 C LEU A 136 9.536 -0.357 -9.465 1.00 0.00 C ATOM 2090 O LEU A 136 9.761 0.710 -10.037 1.00 0.00 O ATOM 2091 CB LEU A 136 10.950 -2.419 -9.509 1.00 0.00 C ATOM 2092 CG LEU A 136 10.673 -3.851 -9.049 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.880 -4.420 -8.319 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.439 -3.895 -8.159 1.00 0.00 C ATOM 0 H LEU A 136 11.037 -1.448 -11.831 1.00 0.00 H new ATOM 0 HA LEU A 136 8.881 -2.297 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.783 -2.439 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.275 -1.838 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 136 10.484 -4.466 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.664 -5.439 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.741 -4.424 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.101 -3.805 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.256 -4.921 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.600 -3.267 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.576 -3.529 -8.715 1.00 0.00 H new ATOM 2106 N SER A 137 9.075 -0.427 -8.220 1.00 0.00 N ATOM 2107 CA SER A 137 8.799 0.772 -7.438 1.00 0.00 C ATOM 2108 C SER A 137 10.010 1.163 -6.597 1.00 0.00 C ATOM 2109 O SER A 137 10.902 0.356 -6.333 1.00 0.00 O ATOM 2110 CB SER A 137 7.586 0.549 -6.533 1.00 0.00 C ATOM 2111 OG SER A 137 7.839 1.011 -5.218 1.00 0.00 O ATOM 0 H SER A 137 8.885 -1.302 -7.731 1.00 0.00 H new ATOM 0 HA SER A 137 8.582 1.585 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.721 1.069 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.338 -0.512 -6.508 1.00 0.00 H new ATOM 0 HG SER A 137 7.887 0.247 -4.606 1.00 0.00 H new ATOM 2117 N PRO A 138 10.045 2.432 -6.164 1.00 0.00 N ATOM 2118 CA PRO A 138 11.140 2.960 -5.346 1.00 0.00 C ATOM 2119 C PRO A 138 11.145 2.377 -3.937 1.00 0.00 C ATOM 2120 O PRO A 138 10.189 2.547 -3.180 1.00 0.00 O ATOM 2121 CB PRO A 138 10.856 4.464 -5.301 1.00 0.00 C ATOM 2122 CG PRO A 138 9.387 4.579 -5.520 1.00 0.00 C ATOM 2123 CD PRO A 138 9.016 3.449 -6.440 1.00 0.00 C ATOM 0 HA PRO A 138 12.116 2.708 -5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.148 4.894 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.414 4.995 -6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.845 4.508 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.133 5.542 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.014 3.074 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.029 3.760 -7.484 1.00 0.00 H new ATOM 2131 N LYS A 139 12.227 1.688 -3.590 1.00 0.00 N ATOM 2132 CA LYS A 139 12.357 1.080 -2.271 1.00 0.00 C ATOM 2133 C LYS A 139 13.234 1.936 -1.362 1.00 0.00 C ATOM 2134 O LYS A 139 14.188 2.567 -1.819 1.00 0.00 O ATOM 2135 CB LYS A 139 12.949 -0.326 -2.392 1.00 0.00 C ATOM 2136 CG LYS A 139 11.914 -1.397 -2.693 1.00 0.00 C ATOM 2137 CD LYS A 139 12.570 -2.728 -3.023 1.00 0.00 C ATOM 2138 CE LYS A 139 11.584 -3.689 -3.669 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.539 -3.527 -5.148 1.00 0.00 N ATOM 0 H LYS A 139 13.027 1.537 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 139 11.363 1.013 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.702 -0.328 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.460 -0.577 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.254 -1.518 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.292 -1.079 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.413 -2.563 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.971 -3.173 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 139 11.863 -4.714 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.590 -3.522 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 11.318 -4.442 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.805 -2.835 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.462 -3.191 -5.489 1.00 0.00 H new ATOM 2153 N SER A 140 12.906 1.951 -0.075 1.00 0.00 N ATOM 2154 CA SER A 140 13.663 2.731 0.898 1.00 0.00 C ATOM 2155 C SER A 140 14.237 1.831 1.988 1.00 0.00 C ATOM 2156 O SER A 140 13.660 0.798 2.323 1.00 0.00 O ATOM 2157 CB SER A 140 12.772 3.806 1.525 1.00 0.00 C ATOM 2158 OG SER A 140 13.378 4.360 2.680 1.00 0.00 O ATOM 0 H SER A 140 12.121 1.432 0.319 1.00 0.00 H new ATOM 0 HA SER A 140 14.490 3.213 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.581 4.594 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.806 3.374 1.788 1.00 0.00 H new ATOM 0 HG SER A 140 12.790 5.045 3.061 1.00 0.00 H new