USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 139:sc= -0.877 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.374 USER MOD Set 1.3: A 69 MET CE :methyl -160:sc= -6.23! (180deg=-7.99!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.275! USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 14 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-2.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 22 MET CE :methyl 157:sc=-0.000696 (180deg=-1.01) USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 25 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 151:sc= -1.89! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 0.991 (180deg=0.749) USER MOD Single : A 74 GLN : amide:sc=-0.00896 X(o=-0.009,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0.458! (180deg=0.337!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -19.930 7.860 34.715 1.00 0.00 N ATOM 122 CA PRO A 9 -20.869 9.001 34.657 1.00 0.00 C ATOM 123 C PRO A 9 -22.017 8.853 35.671 1.00 0.00 C ATOM 124 O PRO A 9 -22.339 9.787 36.396 1.00 0.00 O ATOM 125 CB PRO A 9 -21.404 8.951 33.223 1.00 0.00 C ATOM 126 CG PRO A 9 -21.204 7.495 32.733 1.00 0.00 C ATOM 127 CD PRO A 9 -20.119 6.870 33.631 1.00 0.00 C ATOM 0 HA PRO A 9 -20.386 9.946 34.907 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -22.457 9.230 33.191 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.869 9.653 32.584 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -22.135 6.932 32.802 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -20.898 7.477 31.687 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.436 5.904 34.025 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.194 6.702 33.080 1.00 0.00 H new ATOM 135 N ILE A 10 -22.659 7.713 35.723 1.00 0.00 N ATOM 136 CA ILE A 10 -23.799 7.551 36.681 1.00 0.00 C ATOM 137 C ILE A 10 -23.663 6.248 37.484 1.00 0.00 C ATOM 138 O ILE A 10 -23.452 6.284 38.692 1.00 0.00 O ATOM 139 CB ILE A 10 -25.119 7.561 35.899 1.00 0.00 C ATOM 140 CG1 ILE A 10 -25.251 8.901 35.166 1.00 0.00 C ATOM 141 CG2 ILE A 10 -26.294 7.397 36.867 1.00 0.00 C ATOM 142 CD1 ILE A 10 -26.555 8.933 34.370 1.00 0.00 C ATOM 0 H ILE A 10 -22.448 6.895 35.151 1.00 0.00 H new ATOM 0 HA ILE A 10 -23.787 8.380 37.389 1.00 0.00 H new ATOM 0 HB ILE A 10 -25.126 6.740 35.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -25.233 9.721 35.884 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -24.403 9.044 34.497 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -27.230 7.405 36.308 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -26.197 6.451 37.400 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -26.293 8.219 37.583 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -26.642 9.888 33.852 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -26.556 8.123 33.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -27.399 8.811 35.049 1.00 0.00 H new ATOM 154 N SER A 11 -23.781 5.105 36.847 1.00 0.00 N ATOM 155 CA SER A 11 -23.665 3.799 37.589 1.00 0.00 C ATOM 156 C SER A 11 -22.504 3.849 38.593 1.00 0.00 C ATOM 157 O SER A 11 -22.714 3.809 39.803 1.00 0.00 O ATOM 158 CB SER A 11 -23.429 2.659 36.594 1.00 0.00 C ATOM 159 OG SER A 11 -22.111 2.760 36.059 1.00 0.00 O ATOM 0 H SER A 11 -23.953 5.017 35.845 1.00 0.00 H new ATOM 0 HA SER A 11 -24.593 3.626 38.133 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.559 1.697 37.089 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.164 2.706 35.790 1.00 0.00 H new ATOM 0 HG SER A 11 -21.959 2.030 35.424 1.00 0.00 H new ATOM 165 N GLN A 12 -21.288 3.939 38.116 1.00 0.00 N ATOM 166 CA GLN A 12 -20.110 3.991 39.039 1.00 0.00 C ATOM 167 C GLN A 12 -20.305 5.095 40.090 1.00 0.00 C ATOM 168 O GLN A 12 -20.001 4.911 41.268 1.00 0.00 O ATOM 169 CB GLN A 12 -18.845 4.254 38.224 1.00 0.00 C ATOM 170 CG GLN A 12 -17.875 3.082 38.404 1.00 0.00 C ATOM 171 CD GLN A 12 -16.795 3.470 39.408 1.00 0.00 C ATOM 172 OE1 GLN A 12 -15.943 4.305 39.118 1.00 0.00 O ATOM 173 NE2 GLN A 12 -16.788 2.919 40.581 1.00 0.00 N ATOM 0 H GLN A 12 -21.058 3.979 37.123 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.015 3.037 39.558 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.096 4.375 37.170 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -18.376 5.183 38.549 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.413 2.201 38.754 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.422 2.820 37.448 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.496 2.225 40.823 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.075 3.179 41.262 1.00 0.00 H new ATOM 182 N VAL A 13 -20.831 6.230 39.698 1.00 0.00 N ATOM 183 CA VAL A 13 -21.074 7.323 40.691 1.00 0.00 C ATOM 184 C VAL A 13 -22.031 6.785 41.767 1.00 0.00 C ATOM 185 O VAL A 13 -21.820 6.979 42.965 1.00 0.00 O ATOM 186 CB VAL A 13 -21.696 8.538 39.983 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.252 9.519 41.016 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.628 9.251 39.150 1.00 0.00 C ATOM 0 H VAL A 13 -21.101 6.446 38.739 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.137 7.637 41.150 1.00 0.00 H new ATOM 0 HB VAL A 13 -22.503 8.192 39.337 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.690 10.376 40.505 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.017 9.023 41.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.446 9.858 41.667 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.072 10.112 38.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.822 9.586 39.802 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.229 8.563 38.404 1.00 0.00 H new ATOM 198 N HIS A 14 -23.054 6.077 41.356 1.00 0.00 N ATOM 199 CA HIS A 14 -24.007 5.478 42.331 1.00 0.00 C ATOM 200 C HIS A 14 -23.249 4.439 43.167 1.00 0.00 C ATOM 201 O HIS A 14 -23.365 4.396 44.390 1.00 0.00 O ATOM 202 CB HIS A 14 -25.143 4.786 41.566 1.00 0.00 C ATOM 203 CG HIS A 14 -26.051 5.808 40.940 1.00 0.00 C ATOM 204 ND1 HIS A 14 -27.406 5.582 40.775 1.00 0.00 N ATOM 205 CD2 HIS A 14 -25.814 7.059 40.429 1.00 0.00 C ATOM 206 CE1 HIS A 14 -27.931 6.675 40.189 1.00 0.00 C ATOM 207 NE2 HIS A 14 -27.002 7.605 39.957 1.00 0.00 N ATOM 0 H HIS A 14 -23.268 5.889 40.377 1.00 0.00 H new ATOM 0 HA HIS A 14 -24.425 6.250 42.977 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -24.728 4.137 40.794 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -25.713 4.151 42.244 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -24.850 7.546 40.398 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -28.976 6.786 39.938 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -27.135 8.520 39.526 1.00 0.00 H new ATOM 215 N GLU A 15 -22.461 3.613 42.524 1.00 0.00 N ATOM 216 CA GLU A 15 -21.668 2.582 43.261 1.00 0.00 C ATOM 217 C GLU A 15 -20.821 3.273 44.340 1.00 0.00 C ATOM 218 O GLU A 15 -20.834 2.885 45.509 1.00 0.00 O ATOM 219 CB GLU A 15 -20.741 1.854 42.278 1.00 0.00 C ATOM 220 CG GLU A 15 -21.571 1.133 41.200 1.00 0.00 C ATOM 221 CD GLU A 15 -20.728 0.914 39.936 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.553 0.607 40.065 1.00 0.00 O ATOM 223 OE2 GLU A 15 -21.275 1.060 38.855 1.00 0.00 O ATOM 0 H GLU A 15 -22.333 3.609 41.512 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.343 1.864 43.726 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.064 2.568 41.809 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.124 1.134 42.814 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.922 0.174 41.582 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.455 1.722 40.958 1.00 0.00 H new ATOM 230 N ILE A 16 -20.095 4.302 43.971 1.00 0.00 N ATOM 231 CA ILE A 16 -19.254 5.034 44.971 1.00 0.00 C ATOM 232 C ILE A 16 -20.165 5.699 46.015 1.00 0.00 C ATOM 233 O ILE A 16 -19.920 5.610 47.219 1.00 0.00 O ATOM 234 CB ILE A 16 -18.414 6.099 44.252 1.00 0.00 C ATOM 235 CG1 ILE A 16 -17.397 5.413 43.335 1.00 0.00 C ATOM 236 CG2 ILE A 16 -17.663 6.952 45.278 1.00 0.00 C ATOM 237 CD1 ILE A 16 -16.868 6.422 42.314 1.00 0.00 C ATOM 0 H ILE A 16 -20.049 4.667 43.020 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.587 4.333 45.473 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.075 6.736 43.664 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.573 5.011 43.925 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -17.863 4.571 42.823 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.069 7.705 44.760 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.379 7.444 45.936 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.005 6.315 45.869 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.144 5.934 41.661 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.696 6.803 41.716 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.386 7.249 42.836 1.00 0.00 H new ATOM 249 N GLY A 17 -21.217 6.353 45.578 1.00 0.00 N ATOM 250 CA GLY A 17 -22.157 7.014 46.542 1.00 0.00 C ATOM 251 C GLY A 17 -22.677 5.977 47.540 1.00 0.00 C ATOM 252 O GLY A 17 -22.571 6.153 48.751 1.00 0.00 O ATOM 0 H GLY A 17 -21.465 6.458 44.594 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.646 7.819 47.071 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.990 7.465 46.003 1.00 0.00 H new ATOM 256 N ILE A 18 -23.222 4.893 47.053 1.00 0.00 N ATOM 257 CA ILE A 18 -23.737 3.825 47.965 1.00 0.00 C ATOM 258 C ILE A 18 -22.569 3.271 48.796 1.00 0.00 C ATOM 259 O ILE A 18 -22.680 3.101 50.010 1.00 0.00 O ATOM 260 CB ILE A 18 -24.385 2.710 47.121 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.875 3.010 46.946 1.00 0.00 C ATOM 262 CG2 ILE A 18 -24.235 1.351 47.813 1.00 0.00 C ATOM 263 CD1 ILE A 18 -26.062 4.095 45.884 1.00 0.00 C ATOM 0 H ILE A 18 -23.334 4.699 46.058 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.488 4.231 48.642 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.886 2.674 46.152 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -26.406 2.105 46.652 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -26.304 3.337 47.893 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.699 0.578 47.201 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -23.177 1.124 47.944 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -24.722 1.383 48.788 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -27.124 4.306 45.762 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -25.545 5.003 46.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -25.649 3.751 44.936 1.00 0.00 H new ATOM 275 N LYS A 19 -21.447 3.007 48.170 1.00 0.00 N ATOM 276 CA LYS A 19 -20.262 2.482 48.922 1.00 0.00 C ATOM 277 C LYS A 19 -19.930 3.421 50.092 1.00 0.00 C ATOM 278 O LYS A 19 -19.690 2.979 51.215 1.00 0.00 O ATOM 279 CB LYS A 19 -19.057 2.403 47.980 1.00 0.00 C ATOM 280 CG LYS A 19 -18.152 1.246 48.407 1.00 0.00 C ATOM 281 CD LYS A 19 -18.664 -0.053 47.780 1.00 0.00 C ATOM 282 CE LYS A 19 -17.501 -0.811 47.142 1.00 0.00 C ATOM 283 NZ LYS A 19 -17.999 -2.118 46.629 1.00 0.00 N ATOM 0 H LYS A 19 -21.300 3.133 47.168 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.493 1.490 49.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.393 2.256 46.954 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.502 3.341 48.003 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.126 1.436 48.092 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.141 1.159 49.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.140 -0.672 48.540 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.422 0.169 47.029 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.071 -0.226 46.329 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.709 -0.971 47.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.214 -2.642 46.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.390 -2.674 47.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.741 -1.952 45.920 1.00 0.00 H new ATOM 297 N ARG A 20 -19.913 4.705 49.851 1.00 0.00 N ATOM 298 CA ARG A 20 -19.601 5.671 50.947 1.00 0.00 C ATOM 299 C ARG A 20 -20.898 6.130 51.643 1.00 0.00 C ATOM 300 O ARG A 20 -20.899 7.116 52.380 1.00 0.00 O ATOM 301 CB ARG A 20 -18.879 6.884 50.348 1.00 0.00 C ATOM 302 CG ARG A 20 -17.915 7.471 51.383 1.00 0.00 C ATOM 303 CD ARG A 20 -17.523 8.893 50.968 1.00 0.00 C ATOM 304 NE ARG A 20 -16.057 8.941 50.674 1.00 0.00 N ATOM 305 CZ ARG A 20 -15.225 9.360 51.571 1.00 0.00 C ATOM 306 NH1 ARG A 20 -14.832 8.561 52.504 1.00 0.00 N ATOM 307 NH2 ARG A 20 -14.791 10.569 51.529 1.00 0.00 N ATOM 0 H ARG A 20 -20.102 5.128 48.942 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.964 5.185 51.686 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.332 6.589 49.453 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.605 7.638 50.043 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.385 7.484 52.367 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.026 6.846 51.463 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.091 9.196 50.089 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.768 9.596 51.764 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.712 8.642 49.762 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.177 7.602 52.533 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.176 8.888 53.213 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.103 11.197 50.789 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.135 10.900 52.236 1.00 0.00 H new ATOM 321 N ASN A 21 -21.998 5.442 51.426 1.00 0.00 N ATOM 322 CA ASN A 21 -23.292 5.844 52.071 1.00 0.00 C ATOM 323 C ASN A 21 -23.565 7.339 51.813 1.00 0.00 C ATOM 324 O ASN A 21 -24.068 8.062 52.673 1.00 0.00 O ATOM 325 CB ASN A 21 -23.210 5.570 53.579 1.00 0.00 C ATOM 326 CG ASN A 21 -23.461 4.087 53.845 1.00 0.00 C ATOM 327 OD1 ASN A 21 -24.488 3.717 54.397 1.00 0.00 O ATOM 328 ND2 ASN A 21 -22.575 3.210 53.483 1.00 0.00 N ATOM 0 H ASN A 21 -22.054 4.617 50.828 1.00 0.00 H new ATOM 0 HA ASN A 21 -24.110 5.264 51.644 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -22.229 5.857 53.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -23.946 6.175 54.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -22.737 2.219 53.659 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -21.717 3.512 53.022 1.00 0.00 H new ATOM 335 N MET A 22 -23.243 7.809 50.637 1.00 0.00 N ATOM 336 CA MET A 22 -23.469 9.246 50.303 1.00 0.00 C ATOM 337 C MET A 22 -24.781 9.407 49.524 1.00 0.00 C ATOM 338 O MET A 22 -25.061 8.665 48.582 1.00 0.00 O ATOM 339 CB MET A 22 -22.305 9.747 49.439 1.00 0.00 C ATOM 340 CG MET A 22 -21.271 10.456 50.317 1.00 0.00 C ATOM 341 SD MET A 22 -19.833 10.890 49.308 1.00 0.00 S ATOM 342 CE MET A 22 -19.436 12.455 50.126 1.00 0.00 C ATOM 0 H MET A 22 -22.830 7.254 49.887 1.00 0.00 H new ATOM 0 HA MET A 22 -23.529 9.824 51.225 1.00 0.00 H new ATOM 0 HB2 MET A 22 -21.840 8.909 48.919 1.00 0.00 H new ATOM 0 HB3 MET A 22 -22.676 10.430 48.675 1.00 0.00 H new ATOM 0 HG2 MET A 22 -21.705 11.353 50.758 1.00 0.00 H new ATOM 0 HG3 MET A 22 -20.970 9.809 51.141 1.00 0.00 H new ATOM 0 HE1 MET A 22 -18.386 12.696 49.960 1.00 0.00 H new ATOM 0 HE2 MET A 22 -20.060 13.249 49.716 1.00 0.00 H new ATOM 0 HE3 MET A 22 -19.622 12.364 51.196 1.00 0.00 H new ATOM 352 N THR A 23 -25.584 10.371 49.883 1.00 0.00 N ATOM 353 CA THR A 23 -26.869 10.590 49.148 1.00 0.00 C ATOM 354 C THR A 23 -26.563 11.217 47.783 1.00 0.00 C ATOM 355 O THR A 23 -26.691 12.425 47.594 1.00 0.00 O ATOM 356 CB THR A 23 -27.783 11.525 49.952 1.00 0.00 C ATOM 357 OG1 THR A 23 -27.049 12.104 51.027 1.00 0.00 O ATOM 358 CG2 THR A 23 -28.962 10.729 50.509 1.00 0.00 C ATOM 0 H THR A 23 -25.409 11.018 50.652 1.00 0.00 H new ATOM 0 HA THR A 23 -27.376 9.635 49.012 1.00 0.00 H new ATOM 0 HB THR A 23 -28.154 12.317 49.301 1.00 0.00 H new ATOM 0 HG1 THR A 23 -27.634 12.702 51.538 1.00 0.00 H new ATOM 0 HG21 THR A 23 -29.612 11.392 51.080 1.00 0.00 H new ATOM 0 HG22 THR A 23 -29.526 10.290 49.686 1.00 0.00 H new ATOM 0 HG23 THR A 23 -28.591 9.936 51.159 1.00 0.00 H new ATOM 366 N VAL A 24 -26.145 10.418 46.837 1.00 0.00 N ATOM 367 CA VAL A 24 -25.815 10.956 45.478 1.00 0.00 C ATOM 368 C VAL A 24 -27.080 10.955 44.611 1.00 0.00 C ATOM 369 O VAL A 24 -27.468 9.932 44.042 1.00 0.00 O ATOM 370 CB VAL A 24 -24.741 10.080 44.815 1.00 0.00 C ATOM 371 CG1 VAL A 24 -24.228 10.770 43.552 1.00 0.00 C ATOM 372 CG2 VAL A 24 -23.566 9.873 45.771 1.00 0.00 C ATOM 0 H VAL A 24 -26.016 9.412 46.944 1.00 0.00 H new ATOM 0 HA VAL A 24 -25.436 11.973 45.576 1.00 0.00 H new ATOM 0 HB VAL A 24 -25.182 9.115 44.564 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -23.466 10.148 43.082 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -25.055 10.919 42.857 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -23.797 11.736 43.815 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.811 9.251 45.290 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -23.131 10.839 46.027 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -23.917 9.382 46.678 1.00 0.00 H new ATOM 382 N HIS A 25 -27.741 12.076 44.507 1.00 0.00 N ATOM 383 CA HIS A 25 -28.991 12.134 43.685 1.00 0.00 C ATOM 384 C HIS A 25 -28.946 13.354 42.756 1.00 0.00 C ATOM 385 O HIS A 25 -28.924 14.499 43.210 1.00 0.00 O ATOM 386 CB HIS A 25 -30.211 12.242 44.615 1.00 0.00 C ATOM 387 CG HIS A 25 -30.127 11.212 45.712 1.00 0.00 C ATOM 388 ND1 HIS A 25 -29.607 9.946 45.504 1.00 0.00 N ATOM 389 CD2 HIS A 25 -30.498 11.251 47.032 1.00 0.00 C ATOM 390 CE1 HIS A 25 -29.682 9.279 46.672 1.00 0.00 C ATOM 391 NE2 HIS A 25 -30.217 10.030 47.636 1.00 0.00 N ATOM 0 H HIS A 25 -27.473 12.953 44.953 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.069 11.228 43.084 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -30.259 13.241 45.048 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -31.127 12.099 44.042 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.235 9.584 44.626 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -30.942 12.102 47.528 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.350 8.261 46.811 1.00 0.00 H new ATOM 399 N PHE A 26 -28.936 13.141 41.465 1.00 0.00 N ATOM 400 CA PHE A 26 -28.895 14.301 40.521 1.00 0.00 C ATOM 401 C PHE A 26 -29.975 14.159 39.439 1.00 0.00 C ATOM 402 O PHE A 26 -30.418 13.058 39.117 1.00 0.00 O ATOM 403 CB PHE A 26 -27.516 14.418 39.853 1.00 0.00 C ATOM 404 CG PHE A 26 -26.915 13.058 39.614 1.00 0.00 C ATOM 405 CD1 PHE A 26 -26.466 12.302 40.695 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.793 12.566 38.313 1.00 0.00 C ATOM 407 CE1 PHE A 26 -25.889 11.045 40.479 1.00 0.00 C ATOM 408 CE2 PHE A 26 -26.221 11.309 38.092 1.00 0.00 C ATOM 409 CZ PHE A 26 -25.768 10.549 39.176 1.00 0.00 C ATOM 0 H PHE A 26 -28.954 12.221 41.025 1.00 0.00 H new ATOM 0 HA PHE A 26 -29.085 15.204 41.101 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -27.611 14.949 38.906 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -26.851 15.008 40.484 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -26.563 12.686 41.700 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -27.140 13.156 37.478 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -25.538 10.459 41.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -26.129 10.926 37.087 1.00 0.00 H new ATOM 0 HZ PHE A 26 -25.325 9.579 39.007 1.00 0.00 H new ATOM 419 N LYS A 27 -30.404 15.258 38.876 1.00 0.00 N ATOM 420 CA LYS A 27 -31.454 15.208 37.809 1.00 0.00 C ATOM 421 C LYS A 27 -31.559 16.577 37.114 1.00 0.00 C ATOM 422 O LYS A 27 -31.275 17.619 37.709 1.00 0.00 O ATOM 423 CB LYS A 27 -32.806 14.834 38.437 1.00 0.00 C ATOM 424 CG LYS A 27 -33.269 15.939 39.394 1.00 0.00 C ATOM 425 CD LYS A 27 -32.981 15.519 40.839 1.00 0.00 C ATOM 426 CE LYS A 27 -33.707 16.458 41.800 1.00 0.00 C ATOM 427 NZ LYS A 27 -34.008 15.726 43.067 1.00 0.00 N ATOM 0 H LYS A 27 -30.072 16.194 39.109 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.181 14.456 37.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -33.550 14.685 37.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -32.717 13.890 38.975 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -32.753 16.872 39.166 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -34.335 16.124 39.264 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -33.308 14.492 41.002 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -31.908 15.546 41.029 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -33.090 17.332 42.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -34.630 16.820 41.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -34.503 16.361 43.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -34.611 14.905 42.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -33.120 15.402 43.500 1.00 0.00 H new ATOM 441 N VAL A 28 -31.958 16.599 35.871 1.00 0.00 N ATOM 442 CA VAL A 28 -32.079 17.897 35.144 1.00 0.00 C ATOM 443 C VAL A 28 -33.348 18.636 35.597 1.00 0.00 C ATOM 444 O VAL A 28 -34.344 18.025 35.984 1.00 0.00 O ATOM 445 CB VAL A 28 -32.145 17.636 33.631 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.024 16.683 33.211 1.00 0.00 C ATOM 447 CG2 VAL A 28 -33.496 17.016 33.265 1.00 0.00 C ATOM 0 H VAL A 28 -32.206 15.773 35.326 1.00 0.00 H new ATOM 0 HA VAL A 28 -31.209 18.514 35.368 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.027 18.586 33.110 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -31.081 16.505 32.137 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -30.059 17.127 33.455 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.133 15.737 33.741 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -33.534 16.834 32.191 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -33.620 16.073 33.797 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -34.298 17.699 33.546 1.00 0.00 H new ATOM 457 N LEU A 29 -33.332 19.941 35.549 1.00 0.00 N ATOM 458 CA LEU A 29 -34.538 20.730 35.966 1.00 0.00 C ATOM 459 C LEU A 29 -35.348 21.101 34.719 1.00 0.00 C ATOM 460 O LEU A 29 -36.575 21.013 34.695 1.00 0.00 O ATOM 461 CB LEU A 29 -34.103 22.015 36.690 1.00 0.00 C ATOM 462 CG LEU A 29 -32.852 21.752 37.531 1.00 0.00 C ATOM 463 CD1 LEU A 29 -32.320 23.074 38.077 1.00 0.00 C ATOM 464 CD2 LEU A 29 -33.204 20.832 38.698 1.00 0.00 C ATOM 0 H LEU A 29 -32.537 20.500 35.239 1.00 0.00 H new ATOM 0 HA LEU A 29 -35.146 20.129 36.642 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.902 22.801 35.962 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.911 22.372 37.329 1.00 0.00 H new ATOM 0 HG LEU A 29 -32.092 21.279 36.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -31.429 22.888 38.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -32.068 23.735 37.248 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -33.083 23.545 38.697 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -32.312 20.645 39.296 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -33.964 21.306 39.319 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -33.587 19.887 38.313 1.00 0.00 H new ATOM 476 N ARG A 30 -34.674 21.509 33.682 1.00 0.00 N ATOM 477 CA ARG A 30 -35.377 21.885 32.422 1.00 0.00 C ATOM 478 C ARG A 30 -34.464 21.600 31.225 1.00 0.00 C ATOM 479 O ARG A 30 -33.254 21.814 31.276 1.00 0.00 O ATOM 480 CB ARG A 30 -35.741 23.374 32.460 1.00 0.00 C ATOM 481 CG ARG A 30 -36.624 23.722 31.254 1.00 0.00 C ATOM 482 CD ARG A 30 -38.076 23.342 31.551 1.00 0.00 C ATOM 483 NE ARG A 30 -38.812 23.167 30.258 1.00 0.00 N ATOM 484 CZ ARG A 30 -39.209 21.994 29.886 1.00 0.00 C ATOM 485 NH1 ARG A 30 -40.336 21.536 30.314 1.00 0.00 N ATOM 486 NH2 ARG A 30 -38.483 21.293 29.084 1.00 0.00 N ATOM 0 H ARG A 30 -33.658 21.599 33.651 1.00 0.00 H new ATOM 0 HA ARG A 30 -36.291 21.298 32.324 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -36.266 23.606 33.386 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -34.835 23.980 32.447 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -36.554 24.788 31.036 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -36.273 23.192 30.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -38.112 22.420 32.132 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -38.552 24.117 32.152 1.00 0.00 H new ATOM 0 HE ARG A 30 -39.001 23.977 29.668 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -40.909 22.098 30.943 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -40.654 20.611 30.024 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -37.596 21.664 28.743 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -38.796 20.368 28.790 1.00 0.00 H new ATOM 631 N PHE A 40 -27.434 22.436 28.971 1.00 0.00 N ATOM 632 CA PHE A 40 -28.062 21.493 29.946 1.00 0.00 C ATOM 633 C PHE A 40 -27.779 21.940 31.391 1.00 0.00 C ATOM 634 O PHE A 40 -26.760 22.569 31.682 1.00 0.00 O ATOM 635 CB PHE A 40 -27.495 20.090 29.718 1.00 0.00 C ATOM 636 CG PHE A 40 -28.289 19.400 28.636 1.00 0.00 C ATOM 637 CD1 PHE A 40 -28.009 19.658 27.290 1.00 0.00 C ATOM 638 CD2 PHE A 40 -29.309 18.508 28.980 1.00 0.00 C ATOM 639 CE1 PHE A 40 -28.749 19.023 26.287 1.00 0.00 C ATOM 640 CE2 PHE A 40 -30.051 17.873 27.978 1.00 0.00 C ATOM 641 CZ PHE A 40 -29.770 18.129 26.631 1.00 0.00 C ATOM 0 HA PHE A 40 -29.141 21.488 29.793 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.445 20.152 29.431 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.540 19.513 30.642 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -27.221 20.348 27.025 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -29.524 18.309 30.019 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -28.533 19.222 25.248 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -30.840 17.186 28.244 1.00 0.00 H new ATOM 0 HZ PHE A 40 -30.341 17.637 25.857 1.00 0.00 H new ATOM 651 N ILE A 41 -28.668 21.622 32.299 1.00 0.00 N ATOM 652 CA ILE A 41 -28.475 22.012 33.733 1.00 0.00 C ATOM 653 C ILE A 41 -29.010 20.888 34.635 1.00 0.00 C ATOM 654 O ILE A 41 -30.222 20.702 34.773 1.00 0.00 O ATOM 655 CB ILE A 41 -29.235 23.318 34.018 1.00 0.00 C ATOM 656 CG1 ILE A 41 -28.520 24.491 33.343 1.00 0.00 C ATOM 657 CG2 ILE A 41 -29.286 23.575 35.527 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.174 24.783 31.991 1.00 0.00 C ATOM 0 H ILE A 41 -29.526 21.105 32.108 1.00 0.00 H new ATOM 0 HA ILE A 41 -27.415 22.167 33.935 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.248 23.225 33.626 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -28.568 25.374 33.980 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -27.465 24.255 33.204 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -29.826 24.502 35.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -29.797 22.748 36.020 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -28.271 23.658 35.916 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.663 25.619 31.513 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -29.102 23.901 31.354 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -30.223 25.038 32.142 1.00 0.00 H new ATOM 670 N THR A 42 -28.137 20.126 35.240 1.00 0.00 N ATOM 671 CA THR A 42 -28.605 19.006 36.118 1.00 0.00 C ATOM 672 C THR A 42 -28.352 19.336 37.592 1.00 0.00 C ATOM 673 O THR A 42 -27.223 19.599 38.005 1.00 0.00 O ATOM 674 CB THR A 42 -27.858 17.718 35.738 1.00 0.00 C ATOM 675 OG1 THR A 42 -28.584 17.042 34.730 1.00 0.00 O ATOM 676 CG2 THR A 42 -27.719 16.786 36.940 1.00 0.00 C ATOM 0 H THR A 42 -27.125 20.227 35.167 1.00 0.00 H new ATOM 0 HA THR A 42 -29.677 18.867 35.974 1.00 0.00 H new ATOM 0 HB THR A 42 -26.863 17.992 35.386 1.00 0.00 H new ATOM 0 HG1 THR A 42 -27.966 16.523 34.174 1.00 0.00 H new ATOM 0 HG21 THR A 42 -27.187 15.883 36.641 1.00 0.00 H new ATOM 0 HG22 THR A 42 -27.162 17.291 37.729 1.00 0.00 H new ATOM 0 HG23 THR A 42 -28.709 16.518 37.309 1.00 0.00 H new ATOM 684 N ALA A 43 -29.377 19.289 38.400 1.00 0.00 N ATOM 685 CA ALA A 43 -29.199 19.556 39.856 1.00 0.00 C ATOM 686 C ALA A 43 -28.671 18.268 40.501 1.00 0.00 C ATOM 687 O ALA A 43 -29.283 17.205 40.382 1.00 0.00 O ATOM 688 CB ALA A 43 -30.546 19.947 40.472 1.00 0.00 C ATOM 0 H ALA A 43 -30.333 19.077 38.113 1.00 0.00 H new ATOM 0 HA ALA A 43 -28.498 20.374 40.021 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -30.416 20.142 41.536 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -30.923 20.844 39.982 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -31.258 19.133 40.337 1.00 0.00 H new ATOM 694 N CYS A 44 -27.540 18.327 41.148 1.00 0.00 N ATOM 695 CA CYS A 44 -26.965 17.093 41.759 1.00 0.00 C ATOM 696 C CYS A 44 -26.732 17.271 43.264 1.00 0.00 C ATOM 697 O CYS A 44 -26.220 18.292 43.726 1.00 0.00 O ATOM 698 CB CYS A 44 -25.637 16.758 41.064 1.00 0.00 C ATOM 699 SG CYS A 44 -24.525 18.185 41.126 1.00 0.00 S ATOM 0 H CYS A 44 -26.989 19.175 41.281 1.00 0.00 H new ATOM 0 HA CYS A 44 -27.675 16.277 41.624 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -25.169 15.901 41.550 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.821 16.475 40.027 1.00 0.00 H new ATOM 0 HG CYS A 44 -23.317 17.783 41.388 1.00 0.00 H new ATOM 705 N ILE A 45 -27.090 16.276 44.028 1.00 0.00 N ATOM 706 CA ILE A 45 -26.893 16.332 45.504 1.00 0.00 C ATOM 707 C ILE A 45 -25.928 15.215 45.920 1.00 0.00 C ATOM 708 O ILE A 45 -26.056 14.068 45.489 1.00 0.00 O ATOM 709 CB ILE A 45 -28.245 16.134 46.212 1.00 0.00 C ATOM 710 CG1 ILE A 45 -28.912 17.494 46.429 1.00 0.00 C ATOM 711 CG2 ILE A 45 -28.034 15.458 47.573 1.00 0.00 C ATOM 712 CD1 ILE A 45 -30.107 17.341 47.373 1.00 0.00 C ATOM 0 H ILE A 45 -27.517 15.415 43.687 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.480 17.301 45.785 1.00 0.00 H new ATOM 0 HB ILE A 45 -28.880 15.503 45.590 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -28.194 18.199 46.848 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -29.241 17.904 45.474 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.997 15.323 48.065 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -27.561 14.487 47.427 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.393 16.084 48.195 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -30.578 18.312 47.524 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.829 16.651 46.937 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -29.766 16.950 48.332 1.00 0.00 H new ATOM 724 N VAL A 46 -24.979 15.526 46.756 1.00 0.00 N ATOM 725 CA VAL A 46 -24.015 14.488 47.227 1.00 0.00 C ATOM 726 C VAL A 46 -23.868 14.595 48.753 1.00 0.00 C ATOM 727 O VAL A 46 -23.001 15.299 49.274 1.00 0.00 O ATOM 728 CB VAL A 46 -22.650 14.667 46.544 1.00 0.00 C ATOM 729 CG1 VAL A 46 -22.738 14.185 45.097 1.00 0.00 C ATOM 730 CG2 VAL A 46 -22.233 16.140 46.555 1.00 0.00 C ATOM 0 H VAL A 46 -24.827 16.460 47.137 1.00 0.00 H new ATOM 0 HA VAL A 46 -24.394 13.500 46.966 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.909 14.083 47.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.770 14.312 44.612 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.017 13.131 45.081 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -23.490 14.768 44.565 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.264 16.248 46.067 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -22.976 16.732 46.021 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.162 16.490 47.585 1.00 0.00 H new ATOM 740 N GLY A 47 -24.716 13.906 49.477 1.00 0.00 N ATOM 741 CA GLY A 47 -24.660 13.939 50.977 1.00 0.00 C ATOM 742 C GLY A 47 -24.596 15.380 51.497 1.00 0.00 C ATOM 743 O GLY A 47 -23.550 15.844 51.941 1.00 0.00 O ATOM 0 H GLY A 47 -25.453 13.316 49.091 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.538 13.440 51.388 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -23.787 13.385 51.323 1.00 0.00 H new ATOM 747 N SER A 48 -25.698 16.088 51.462 1.00 0.00 N ATOM 748 CA SER A 48 -25.730 17.507 51.967 1.00 0.00 C ATOM 749 C SER A 48 -25.142 18.482 50.935 1.00 0.00 C ATOM 750 O SER A 48 -25.693 19.556 50.708 1.00 0.00 O ATOM 751 CB SER A 48 -24.949 17.624 53.280 1.00 0.00 C ATOM 752 OG SER A 48 -25.478 18.703 54.043 1.00 0.00 O ATOM 0 H SER A 48 -26.589 15.745 51.102 1.00 0.00 H new ATOM 0 HA SER A 48 -26.774 17.771 52.138 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.021 16.694 53.844 1.00 0.00 H new ATOM 0 HB3 SER A 48 -23.892 17.792 53.075 1.00 0.00 H new ATOM 0 HG SER A 48 -24.983 18.782 54.885 1.00 0.00 H new ATOM 758 N ILE A 49 -24.043 18.149 50.303 1.00 0.00 N ATOM 759 CA ILE A 49 -23.457 19.090 49.293 1.00 0.00 C ATOM 760 C ILE A 49 -24.344 19.101 48.038 1.00 0.00 C ATOM 761 O ILE A 49 -24.784 18.056 47.565 1.00 0.00 O ATOM 762 CB ILE A 49 -22.034 18.636 48.935 1.00 0.00 C ATOM 763 CG1 ILE A 49 -21.081 19.006 50.076 1.00 0.00 C ATOM 764 CG2 ILE A 49 -21.568 19.333 47.653 1.00 0.00 C ATOM 765 CD1 ILE A 49 -19.701 18.404 49.803 1.00 0.00 C ATOM 0 H ILE A 49 -23.530 17.278 50.439 1.00 0.00 H new ATOM 0 HA ILE A 49 -23.411 20.097 49.707 1.00 0.00 H new ATOM 0 HB ILE A 49 -22.034 17.557 48.782 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.006 20.090 50.164 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -21.470 18.635 51.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -20.558 19.005 47.407 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -22.242 19.078 46.835 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.572 20.413 47.804 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -19.022 18.667 50.614 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.784 17.319 49.736 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -19.312 18.797 48.863 1.00 0.00 H new ATOM 777 N VAL A 50 -24.629 20.256 47.493 1.00 0.00 N ATOM 778 CA VAL A 50 -25.500 20.305 46.274 1.00 0.00 C ATOM 779 C VAL A 50 -24.919 21.265 45.231 1.00 0.00 C ATOM 780 O VAL A 50 -24.300 22.278 45.555 1.00 0.00 O ATOM 781 CB VAL A 50 -26.910 20.784 46.642 1.00 0.00 C ATOM 782 CG1 VAL A 50 -27.906 20.286 45.596 1.00 0.00 C ATOM 783 CG2 VAL A 50 -27.317 20.242 48.016 1.00 0.00 C ATOM 0 H VAL A 50 -24.301 21.160 47.833 1.00 0.00 H new ATOM 0 HA VAL A 50 -25.546 19.298 45.860 1.00 0.00 H new ATOM 0 HB VAL A 50 -26.912 21.874 46.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -28.908 20.626 45.857 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.633 20.680 44.617 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -27.889 19.197 45.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -28.320 20.591 48.262 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -27.307 19.152 47.995 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -26.614 20.597 48.770 1.00 0.00 H new ATOM 793 N THR A 51 -25.141 20.961 43.985 1.00 0.00 N ATOM 794 CA THR A 51 -24.645 21.829 42.869 1.00 0.00 C ATOM 795 C THR A 51 -25.515 21.566 41.638 1.00 0.00 C ATOM 796 O THR A 51 -26.132 20.514 41.527 1.00 0.00 O ATOM 797 CB THR A 51 -23.186 21.482 42.538 1.00 0.00 C ATOM 798 OG1 THR A 51 -22.536 20.977 43.693 1.00 0.00 O ATOM 799 CG2 THR A 51 -22.455 22.735 42.064 1.00 0.00 C ATOM 0 H THR A 51 -25.654 20.133 43.682 1.00 0.00 H new ATOM 0 HA THR A 51 -24.699 22.877 43.164 1.00 0.00 H new ATOM 0 HB THR A 51 -23.172 20.727 41.752 1.00 0.00 H new ATOM 0 HG1 THR A 51 -21.606 20.756 43.475 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.420 22.486 41.830 1.00 0.00 H new ATOM 0 HG22 THR A 51 -22.945 23.126 41.172 1.00 0.00 H new ATOM 0 HG23 THR A 51 -22.478 23.489 42.851 1.00 0.00 H new ATOM 807 N GLU A 52 -25.592 22.478 40.708 1.00 0.00 N ATOM 808 CA GLU A 52 -26.444 22.215 39.506 1.00 0.00 C ATOM 809 C GLU A 52 -25.855 22.887 38.256 1.00 0.00 C ATOM 810 O GLU A 52 -25.046 23.811 38.338 1.00 0.00 O ATOM 811 CB GLU A 52 -27.869 22.722 39.765 1.00 0.00 C ATOM 812 CG GLU A 52 -27.897 24.256 39.800 1.00 0.00 C ATOM 813 CD GLU A 52 -29.305 24.748 39.469 1.00 0.00 C ATOM 814 OE1 GLU A 52 -30.104 24.851 40.384 1.00 0.00 O ATOM 815 OE2 GLU A 52 -29.560 25.006 38.306 1.00 0.00 O ATOM 0 H GLU A 52 -25.113 23.378 40.723 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.471 21.140 39.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -28.538 22.358 38.985 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.236 22.324 40.711 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -27.598 24.613 40.785 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -27.181 24.660 39.084 1.00 0.00 H new ATOM 822 N GLY A 53 -26.235 22.411 37.100 1.00 0.00 N ATOM 823 CA GLY A 53 -25.704 22.984 35.822 1.00 0.00 C ATOM 824 C GLY A 53 -25.139 21.849 34.969 1.00 0.00 C ATOM 825 O GLY A 53 -24.952 20.735 35.452 1.00 0.00 O ATOM 0 H GLY A 53 -26.896 21.643 36.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -26.497 23.502 35.283 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.928 23.720 36.032 1.00 0.00 H new ATOM 829 N GLU A 54 -24.872 22.091 33.714 1.00 0.00 N ATOM 830 CA GLU A 54 -24.324 20.997 32.858 1.00 0.00 C ATOM 831 C GLU A 54 -23.635 21.568 31.604 1.00 0.00 C ATOM 832 O GLU A 54 -23.282 22.750 31.548 1.00 0.00 O ATOM 833 CB GLU A 54 -25.461 20.050 32.462 1.00 0.00 C ATOM 834 CG GLU A 54 -25.068 18.621 32.860 1.00 0.00 C ATOM 835 CD GLU A 54 -26.259 17.664 32.744 1.00 0.00 C ATOM 836 OE1 GLU A 54 -27.082 17.850 31.865 1.00 0.00 O ATOM 837 OE2 GLU A 54 -26.319 16.739 33.530 1.00 0.00 O ATOM 0 H GLU A 54 -25.007 22.988 33.247 1.00 0.00 H new ATOM 0 HA GLU A 54 -23.573 20.447 33.425 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -26.386 20.341 32.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -25.645 20.107 31.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.256 18.274 32.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.693 18.616 33.883 1.00 0.00 H new ATOM 844 N GLY A 55 -23.403 20.740 30.616 1.00 0.00 N ATOM 845 CA GLY A 55 -22.704 21.204 29.372 1.00 0.00 C ATOM 846 C GLY A 55 -23.708 21.626 28.294 1.00 0.00 C ATOM 847 O GLY A 55 -24.832 22.029 28.584 1.00 0.00 O ATOM 0 H GLY A 55 -23.669 19.755 30.615 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -22.050 22.043 29.611 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -22.070 20.404 28.989 1.00 0.00 H new ATOM 943 N LYS A 62 -24.779 14.981 31.636 1.00 0.00 N ATOM 944 CA LYS A 62 -24.524 14.131 32.850 1.00 0.00 C ATOM 945 C LYS A 62 -23.020 13.870 33.038 1.00 0.00 C ATOM 946 O LYS A 62 -22.515 13.866 34.159 1.00 0.00 O ATOM 947 CB LYS A 62 -25.273 12.798 32.711 1.00 0.00 C ATOM 948 CG LYS A 62 -24.834 12.076 31.431 1.00 0.00 C ATOM 949 CD LYS A 62 -25.882 11.023 31.057 1.00 0.00 C ATOM 950 CE LYS A 62 -25.541 10.418 29.695 1.00 0.00 C ATOM 951 NZ LYS A 62 -26.435 9.246 29.444 1.00 0.00 N ATOM 0 HA LYS A 62 -24.887 14.666 33.728 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -25.075 12.169 33.579 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -26.348 12.977 32.686 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -24.716 12.793 30.618 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -23.864 11.602 31.582 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -25.913 10.241 31.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -26.873 11.477 31.027 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -25.668 11.163 28.910 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -24.497 10.106 29.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -26.209 8.829 28.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -26.292 8.534 30.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -27.427 9.559 29.450 1.00 0.00 H new ATOM 965 N LYS A 63 -22.293 13.660 31.969 1.00 0.00 N ATOM 966 CA LYS A 63 -20.822 13.411 32.098 1.00 0.00 C ATOM 967 C LYS A 63 -20.143 14.628 32.745 1.00 0.00 C ATOM 968 O LYS A 63 -19.241 14.487 33.561 1.00 0.00 O ATOM 969 CB LYS A 63 -20.221 13.166 30.707 1.00 0.00 C ATOM 970 CG LYS A 63 -18.719 12.874 30.828 1.00 0.00 C ATOM 971 CD LYS A 63 -18.500 11.377 31.082 1.00 0.00 C ATOM 972 CE LYS A 63 -17.299 11.190 32.009 1.00 0.00 C ATOM 973 NZ LYS A 63 -16.244 10.381 31.327 1.00 0.00 N ATOM 0 H LYS A 63 -22.652 13.650 31.014 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.659 12.534 32.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.725 12.328 30.226 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.380 14.039 30.074 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.206 13.176 29.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.290 13.457 31.643 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.391 10.939 31.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.330 10.858 30.139 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.895 12.162 32.294 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.612 10.693 32.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.432 10.260 31.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.630 9.448 31.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.935 10.871 30.463 1.00 0.00 H new ATOM 987 N ARG A 64 -20.560 15.817 32.397 1.00 0.00 N ATOM 988 CA ARG A 64 -19.937 17.039 32.988 1.00 0.00 C ATOM 989 C ARG A 64 -20.460 17.268 34.415 1.00 0.00 C ATOM 990 O ARG A 64 -19.689 17.544 35.335 1.00 0.00 O ATOM 991 CB ARG A 64 -20.286 18.247 32.110 1.00 0.00 C ATOM 992 CG ARG A 64 -19.646 19.511 32.689 1.00 0.00 C ATOM 993 CD ARG A 64 -19.278 20.462 31.550 1.00 0.00 C ATOM 994 NE ARG A 64 -19.281 21.868 32.057 1.00 0.00 N ATOM 995 CZ ARG A 64 -20.362 22.571 32.007 1.00 0.00 C ATOM 996 NH1 ARG A 64 -20.644 23.241 30.946 1.00 0.00 N ATOM 997 NH2 ARG A 64 -21.154 22.603 33.020 1.00 0.00 N ATOM 0 H ARG A 64 -21.308 15.995 31.727 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.856 16.909 33.032 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.932 18.083 31.092 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -21.368 18.368 32.056 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.337 19.999 33.376 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.756 19.251 33.262 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -18.295 20.209 31.153 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.989 20.358 30.730 1.00 0.00 H new ATOM 0 HE ARG A 64 -18.428 22.272 32.443 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.013 23.216 30.145 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -21.498 23.797 30.906 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.927 22.073 33.862 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.009 23.158 32.982 1.00 0.00 H new ATOM 1011 N ALA A 65 -21.749 17.176 34.615 1.00 0.00 N ATOM 1012 CA ALA A 65 -22.315 17.405 35.980 1.00 0.00 C ATOM 1013 C ALA A 65 -21.873 16.286 36.948 1.00 0.00 C ATOM 1014 O ALA A 65 -21.436 16.552 38.070 1.00 0.00 O ATOM 1015 CB ALA A 65 -23.847 17.447 35.894 1.00 0.00 C ATOM 0 H ALA A 65 -22.435 16.952 33.894 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.943 18.355 36.362 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -24.263 17.614 36.888 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -24.152 18.258 35.232 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -24.215 16.499 35.501 1.00 0.00 H new ATOM 1021 N ALA A 66 -21.987 15.042 36.546 1.00 0.00 N ATOM 1022 CA ALA A 66 -21.590 13.916 37.453 1.00 0.00 C ATOM 1023 C ALA A 66 -20.062 13.878 37.665 1.00 0.00 C ATOM 1024 O ALA A 66 -19.589 13.902 38.804 1.00 0.00 O ATOM 1025 CB ALA A 66 -22.070 12.589 36.855 1.00 0.00 C ATOM 0 H ALA A 66 -22.337 14.757 35.631 1.00 0.00 H new ATOM 0 HA ALA A 66 -22.057 14.074 38.425 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.783 11.769 37.513 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -23.155 12.608 36.751 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -21.614 12.445 35.875 1.00 0.00 H new ATOM 1031 N GLU A 67 -19.277 13.814 36.609 1.00 0.00 N ATOM 1032 CA GLU A 67 -17.783 13.768 36.785 1.00 0.00 C ATOM 1033 C GLU A 67 -17.318 14.968 37.620 1.00 0.00 C ATOM 1034 O GLU A 67 -16.459 14.839 38.489 1.00 0.00 O ATOM 1035 CB GLU A 67 -17.085 13.774 35.417 1.00 0.00 C ATOM 1036 CG GLU A 67 -17.084 12.350 34.836 1.00 0.00 C ATOM 1037 CD GLU A 67 -15.654 11.906 34.513 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.108 12.376 33.532 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -15.125 11.094 35.251 1.00 0.00 O ATOM 0 H GLU A 67 -19.602 13.792 35.642 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.518 12.848 37.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.598 14.455 34.738 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.062 14.137 35.520 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.534 11.659 35.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.694 12.318 33.933 1.00 0.00 H new ATOM 1046 N LYS A 68 -17.881 16.128 37.395 1.00 0.00 N ATOM 1047 CA LYS A 68 -17.480 17.323 38.202 1.00 0.00 C ATOM 1048 C LYS A 68 -17.716 17.023 39.691 1.00 0.00 C ATOM 1049 O LYS A 68 -16.842 17.243 40.531 1.00 0.00 O ATOM 1050 CB LYS A 68 -18.312 18.539 37.769 1.00 0.00 C ATOM 1051 CG LYS A 68 -18.016 19.733 38.687 1.00 0.00 C ATOM 1052 CD LYS A 68 -16.540 20.146 38.544 1.00 0.00 C ATOM 1053 CE LYS A 68 -15.899 20.236 39.929 1.00 0.00 C ATOM 1054 NZ LYS A 68 -14.481 20.688 39.802 1.00 0.00 N ATOM 0 H LYS A 68 -18.598 16.300 36.691 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.425 17.544 38.040 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.081 18.798 36.736 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.374 18.295 37.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.664 20.571 38.430 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.231 19.470 39.723 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.006 19.420 37.931 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.468 21.107 38.035 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.458 20.933 40.554 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.938 19.264 40.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.978 20.507 40.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.018 20.165 39.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.459 21.706 39.592 1.00 0.00 H new ATOM 1068 N MET A 69 -18.871 16.506 40.029 1.00 0.00 N ATOM 1069 CA MET A 69 -19.159 16.168 41.457 1.00 0.00 C ATOM 1070 C MET A 69 -18.196 15.057 41.922 1.00 0.00 C ATOM 1071 O MET A 69 -17.590 15.147 42.991 1.00 0.00 O ATOM 1072 CB MET A 69 -20.609 15.688 41.570 1.00 0.00 C ATOM 1073 CG MET A 69 -21.203 16.142 42.905 1.00 0.00 C ATOM 1074 SD MET A 69 -21.735 17.867 42.768 1.00 0.00 S ATOM 1075 CE MET A 69 -23.047 17.811 44.015 1.00 0.00 C ATOM 0 H MET A 69 -19.628 16.303 39.376 1.00 0.00 H new ATOM 0 HA MET A 69 -19.018 17.046 42.087 1.00 0.00 H new ATOM 0 HB2 MET A 69 -21.199 16.087 40.745 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.649 14.601 41.495 1.00 0.00 H new ATOM 0 HG2 MET A 69 -22.049 15.509 43.174 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.463 16.040 43.699 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.736 18.641 43.856 1.00 0.00 H new ATOM 0 HE2 MET A 69 -23.588 16.869 43.932 1.00 0.00 H new ATOM 0 HE3 MET A 69 -22.608 17.890 45.009 1.00 0.00 H new ATOM 1085 N LEU A 70 -18.041 14.016 41.136 1.00 0.00 N ATOM 1086 CA LEU A 70 -17.115 12.900 41.515 1.00 0.00 C ATOM 1087 C LEU A 70 -15.676 13.424 41.664 1.00 0.00 C ATOM 1088 O LEU A 70 -14.939 13.000 42.550 1.00 0.00 O ATOM 1089 CB LEU A 70 -17.156 11.829 40.419 1.00 0.00 C ATOM 1090 CG LEU A 70 -18.257 10.800 40.702 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.679 9.646 41.514 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -19.405 11.434 41.490 1.00 0.00 C ATOM 0 H LEU A 70 -18.519 13.891 40.244 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.433 12.477 42.468 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.332 12.299 39.452 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.190 11.327 40.359 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.640 10.437 39.748 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.462 8.915 41.715 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.875 9.172 40.951 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.286 10.026 42.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -20.174 10.685 41.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -19.028 11.814 42.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -19.832 12.255 40.914 1.00 0.00 H new ATOM 1104 N VAL A 71 -15.263 14.331 40.815 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.871 14.881 40.908 1.00 0.00 C ATOM 1106 C VAL A 71 -13.688 15.597 42.255 1.00 0.00 C ATOM 1107 O VAL A 71 -12.739 15.327 42.992 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.631 15.862 39.750 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.320 16.619 39.969 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -13.537 15.082 38.438 1.00 0.00 C ATOM 0 H VAL A 71 -15.829 14.717 40.059 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.150 14.066 40.841 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.458 16.571 39.708 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.158 17.312 39.144 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.373 17.175 40.905 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.494 15.910 40.015 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.367 15.775 37.614 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.710 14.374 38.494 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.467 14.540 38.270 1.00 0.00 H new ATOM 1120 N GLU A 72 -14.584 16.487 42.600 1.00 0.00 N ATOM 1121 CA GLU A 72 -14.468 17.202 43.908 1.00 0.00 C ATOM 1122 C GLU A 72 -14.544 16.180 45.055 1.00 0.00 C ATOM 1123 O GLU A 72 -13.742 16.200 45.990 1.00 0.00 O ATOM 1124 CB GLU A 72 -15.615 18.213 44.040 1.00 0.00 C ATOM 1125 CG GLU A 72 -15.035 19.622 44.249 1.00 0.00 C ATOM 1126 CD GLU A 72 -14.880 20.333 42.905 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -13.908 20.065 42.211 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -15.734 21.138 42.585 1.00 0.00 O ATOM 0 H GLU A 72 -15.390 16.749 42.033 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.515 17.729 43.955 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.236 18.193 43.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.256 17.944 44.879 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.690 20.200 44.901 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.068 19.555 44.747 1.00 0.00 H new ATOM 1135 N LEU A 73 -15.492 15.279 44.991 1.00 0.00 N ATOM 1136 CA LEU A 73 -15.635 14.241 46.063 1.00 0.00 C ATOM 1137 C LEU A 73 -14.503 13.198 45.969 1.00 0.00 C ATOM 1138 O LEU A 73 -14.342 12.360 46.852 1.00 0.00 O ATOM 1139 CB LEU A 73 -16.991 13.547 45.904 1.00 0.00 C ATOM 1140 CG LEU A 73 -18.112 14.572 46.084 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -19.452 13.920 45.769 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -18.125 15.071 47.527 1.00 0.00 C ATOM 0 H LEU A 73 -16.178 15.216 44.239 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.573 14.725 47.038 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.062 13.084 44.920 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.092 12.749 46.640 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.943 15.411 45.409 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.251 14.650 45.897 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.449 13.562 44.739 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.616 13.080 46.445 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.925 15.801 47.652 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.292 14.231 48.201 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.168 15.538 47.759 1.00 0.00 H new ATOM 1154 N GLN A 74 -13.711 13.231 44.926 1.00 0.00 N ATOM 1155 CA GLN A 74 -12.592 12.244 44.796 1.00 0.00 C ATOM 1156 C GLN A 74 -11.537 12.485 45.894 1.00 0.00 C ATOM 1157 O GLN A 74 -10.687 11.633 46.149 1.00 0.00 O ATOM 1158 CB GLN A 74 -11.940 12.402 43.418 1.00 0.00 C ATOM 1159 CG GLN A 74 -12.007 11.073 42.656 1.00 0.00 C ATOM 1160 CD GLN A 74 -10.808 10.955 41.714 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -10.958 11.005 40.498 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -9.618 10.801 42.209 1.00 0.00 N ATOM 0 H GLN A 74 -13.790 13.898 44.159 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.990 11.235 44.906 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.449 13.182 42.852 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.902 12.715 43.530 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.012 10.240 43.359 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.935 11.016 42.087 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.488 10.759 43.220 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.813 10.722 41.587 1.00 0.00 H new ATOM 1171 N LYS A 75 -11.566 13.627 46.538 1.00 0.00 N ATOM 1172 CA LYS A 75 -10.562 13.916 47.611 1.00 0.00 C ATOM 1173 C LYS A 75 -11.260 14.227 48.954 1.00 0.00 C ATOM 1174 O LYS A 75 -10.595 14.416 49.976 1.00 0.00 O ATOM 1175 CB LYS A 75 -9.717 15.124 47.178 1.00 0.00 C ATOM 1176 CG LYS A 75 -8.573 15.355 48.175 1.00 0.00 C ATOM 1177 CD LYS A 75 -8.792 16.683 48.911 1.00 0.00 C ATOM 1178 CE LYS A 75 -8.569 16.489 50.411 1.00 0.00 C ATOM 1179 NZ LYS A 75 -9.893 16.383 51.092 1.00 0.00 N ATOM 0 H LYS A 75 -12.242 14.372 46.367 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.930 13.039 47.754 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.311 14.955 46.181 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.344 16.014 47.120 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.529 14.534 48.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.618 15.372 47.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.107 17.439 48.527 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.803 17.047 48.729 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.981 15.589 50.590 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.003 17.326 50.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.751 16.336 52.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.471 17.216 50.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.381 15.523 50.770 1.00 0.00 H new ATOM 1193 N LEU A 76 -12.566 14.306 48.985 1.00 0.00 N ATOM 1194 CA LEU A 76 -13.271 14.623 50.259 1.00 0.00 C ATOM 1195 C LEU A 76 -13.989 13.374 50.806 1.00 0.00 C ATOM 1196 O LEU A 76 -14.868 12.855 50.129 1.00 0.00 O ATOM 1197 CB LEU A 76 -14.278 15.741 49.983 1.00 0.00 C ATOM 1198 CG LEU A 76 -13.530 17.062 49.781 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -14.442 18.072 49.090 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -13.104 17.618 51.135 1.00 0.00 C ATOM 1201 OXT LEU A 76 -13.643 12.954 51.901 1.00 0.00 O ATOM 0 H LEU A 76 -13.174 14.164 48.179 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.551 14.946 51.011 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.866 15.505 49.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.977 15.830 50.815 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.651 16.883 49.162 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.905 19.010 48.949 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.750 17.680 48.120 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.323 18.248 49.707 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.572 18.558 50.991 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.986 17.791 51.751 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.449 16.903 51.632 1.00 0.00 H new