USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 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 :FLIP amide:sc= 0.203 F(o=-0.18,f=0.39) USER MOD Set 1.2: A 125 THR OG1 : rot 41:sc= 0.182 USER MOD Set 2.1: A 73 GLN : amide:sc= -0.143 X(o=-0.9,f=-0.6) USER MOD Set 2.2: A 101 HIS : no HE2:sc= -0.761 K(o=-0.9,f=-2.4) USER MOD Set 3.1: A 60 SER OG : rot 180:sc= -0.118 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -0.766 K(o=-0.88,f=-3.7!) USER MOD Set 4.1: A 55 CYS SG : rot -90:sc= -4.53! USER MOD Set 4.2: A 58 MET CE :methyl -148:sc= -0.512 (180deg=-0.969) USER MOD Set 5.1: A 39 THR OG1 : rot -140:sc= -0.219 USER MOD Set 5.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 33:sc= 0.0168 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.251 USER MOD Single : A 25 MET CE :methyl -107:sc= -2.13 (180deg=-3.21!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 165:sc= 1.03 USER MOD Single : A 48 TYR OH : rot -176:sc= 0.262 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 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0205 K(o=-0.021,f=-2.7!) USER MOD Single : A 69 ASN : amide:sc= -1.83 K(o=-1.8,f=-11!) USER MOD Single : A 75 THR OG1 : rot 15:sc= 0.519 USER MOD Single : A 77 MET CE :methyl -123:sc= -0.0195 (180deg=-0.397) 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 -54:sc= 1.12 USER MOD Single : A 83 ASN : amide:sc= -0.52 K(o=-0.52,f=-4.5!) USER MOD Single : A 88 ASN : amide:sc= -0.463 K(o=-0.46,f=-6.2!) USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.092 USER MOD Single : A 105 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.584 K(o=0.58,f=-0.4) USER MOD Single : A 120 TYR OH : rot 150:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 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 -107:sc= 0.762 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.653 -18.237 -10.709 1.00 0.00 N ATOM 157 CA GLY A 15 7.231 -18.160 -10.431 1.00 0.00 C ATOM 158 C GLY A 15 6.689 -16.751 -10.570 1.00 0.00 C ATOM 159 O GLY A 15 7.385 -15.855 -11.048 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.694 -18.821 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.041 -18.521 -9.420 1.00 0.00 H new ATOM 163 N ARG A 16 5.442 -16.554 -10.154 1.00 0.00 N ATOM 164 CA ARG A 16 4.806 -15.245 -10.237 1.00 0.00 C ATOM 165 C ARG A 16 4.941 -14.490 -8.918 1.00 0.00 C ATOM 166 O ARG A 16 5.245 -15.080 -7.882 1.00 0.00 O ATOM 167 CB ARG A 16 3.328 -15.395 -10.602 1.00 0.00 C ATOM 168 CG ARG A 16 3.073 -15.450 -12.099 1.00 0.00 C ATOM 169 CD ARG A 16 3.051 -16.882 -12.609 1.00 0.00 C ATOM 170 NE ARG A 16 3.459 -16.972 -14.008 1.00 0.00 N ATOM 171 CZ ARG A 16 3.614 -18.121 -14.656 1.00 0.00 C ATOM 172 NH1 ARG A 16 3.397 -19.271 -14.034 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.988 -18.121 -15.930 1.00 0.00 N ATOM 0 H ARG A 16 4.852 -17.285 -9.756 1.00 0.00 H new ATOM 0 HA ARG A 16 5.310 -14.673 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.939 -16.304 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.771 -14.560 -10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.122 -14.968 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.847 -14.888 -12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.714 -17.494 -11.998 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.047 -17.291 -12.497 1.00 0.00 H new ATOM 0 HE ARG A 16 3.635 -16.105 -14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.110 -19.275 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.517 -20.152 -14.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.157 -17.238 -16.412 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.107 -19.004 -16.427 1.00 0.00 H new ATOM 187 N SER A 17 4.715 -13.181 -8.966 1.00 0.00 N ATOM 188 CA SER A 17 4.815 -12.344 -7.777 1.00 0.00 C ATOM 189 C SER A 17 3.843 -11.171 -7.854 1.00 0.00 C ATOM 190 O SER A 17 4.046 -10.232 -8.625 1.00 0.00 O ATOM 191 CB SER A 17 6.245 -11.825 -7.612 1.00 0.00 C ATOM 192 OG SER A 17 6.991 -12.656 -6.738 1.00 0.00 O ATOM 0 H SER A 17 4.461 -12.677 -9.816 1.00 0.00 H new ATOM 0 HA SER A 17 4.554 -12.953 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.735 -11.783 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.223 -10.808 -7.222 1.00 0.00 H new ATOM 0 HG SER A 17 6.688 -13.583 -6.830 1.00 0.00 H new ATOM 198 N TRP A 18 2.788 -11.232 -7.050 1.00 0.00 N ATOM 199 CA TRP A 18 1.783 -10.175 -7.027 1.00 0.00 C ATOM 200 C TRP A 18 2.433 -8.809 -6.832 1.00 0.00 C ATOM 201 O TRP A 18 3.612 -8.717 -6.490 1.00 0.00 O ATOM 202 CB TRP A 18 0.767 -10.433 -5.913 1.00 0.00 C ATOM 203 CG TRP A 18 -0.053 -11.668 -6.131 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.334 -12.959 -5.910 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.399 -11.728 -6.616 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.690 -13.818 -6.229 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.765 -13.088 -6.663 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.332 -10.766 -7.013 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.022 -13.506 -7.092 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.579 -11.183 -7.439 1.00 0.00 C ATOM 211 CH2 TRP A 18 -3.915 -12.543 -7.475 1.00 0.00 C ATOM 0 H TRP A 18 2.606 -12.001 -6.406 1.00 0.00 H new ATOM 0 HA TRP A 18 1.268 -10.178 -7.987 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.294 -10.519 -4.963 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.102 -9.573 -5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.302 -13.260 -5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.655 -14.835 -6.155 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.083 -9.715 -6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.283 -14.554 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.307 -10.448 -7.749 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.898 -12.837 -7.812 1.00 0.00 H new ATOM 222 N CYS A 19 1.658 -7.753 -7.052 1.00 0.00 N ATOM 223 CA CYS A 19 2.160 -6.392 -6.901 1.00 0.00 C ATOM 224 C CYS A 19 1.031 -5.377 -7.047 1.00 0.00 C ATOM 225 O CYS A 19 -0.145 -5.741 -7.083 1.00 0.00 O ATOM 226 CB CYS A 19 3.252 -6.111 -7.935 1.00 0.00 C ATOM 227 SG CYS A 19 2.637 -5.923 -9.625 1.00 0.00 S ATOM 0 H CYS A 19 0.680 -7.813 -7.335 1.00 0.00 H new ATOM 0 HA CYS A 19 2.583 -6.296 -5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.783 -5.203 -7.650 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.977 -6.924 -7.912 1.00 0.00 H new ATOM 0 HG CYS A 19 3.592 -5.480 -10.388 1.00 0.00 H new ATOM 233 N LEU A 20 1.396 -4.102 -7.130 1.00 0.00 N ATOM 234 CA LEU A 20 0.414 -3.033 -7.271 1.00 0.00 C ATOM 235 C LEU A 20 0.665 -2.227 -8.541 1.00 0.00 C ATOM 236 O LEU A 20 1.166 -1.104 -8.486 1.00 0.00 O ATOM 237 CB LEU A 20 0.456 -2.111 -6.051 1.00 0.00 C ATOM 238 CG LEU A 20 -0.064 -2.705 -4.742 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.086 -1.706 -3.605 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.516 -3.134 -4.890 1.00 0.00 C ATOM 0 H LEU A 20 2.365 -3.784 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.574 -3.488 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.487 -1.792 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.125 -1.217 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 20 0.531 -3.586 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.289 -2.147 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.138 -1.449 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.483 -0.805 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.869 -3.554 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.126 -2.270 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.595 -3.886 -5.675 1.00 0.00 H new ATOM 252 N ARG A 21 0.310 -2.806 -9.683 1.00 0.00 N ATOM 253 CA ARG A 21 0.496 -2.141 -10.967 1.00 0.00 C ATOM 254 C ARG A 21 -0.103 -0.738 -10.944 1.00 0.00 C ATOM 255 O ARG A 21 -1.323 -0.573 -10.954 1.00 0.00 O ATOM 256 CB ARG A 21 -0.144 -2.962 -12.088 1.00 0.00 C ATOM 257 CG ARG A 21 0.500 -2.742 -13.447 1.00 0.00 C ATOM 258 CD ARG A 21 -0.323 -3.372 -14.561 1.00 0.00 C ATOM 259 NE ARG A 21 -1.527 -2.599 -14.856 1.00 0.00 N ATOM 260 CZ ARG A 21 -2.349 -2.875 -15.862 1.00 0.00 C ATOM 261 NH1 ARG A 21 -2.098 -3.899 -16.666 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.425 -2.126 -16.065 1.00 0.00 N ATOM 0 H ARG A 21 -0.108 -3.734 -9.745 1.00 0.00 H new ATOM 0 HA ARG A 21 1.567 -2.057 -11.153 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.082 -4.020 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.203 -2.711 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.607 -1.673 -13.632 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.503 -3.168 -13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.286 -3.452 -15.461 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.604 -4.386 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.748 -1.804 -14.257 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.272 -4.477 -16.513 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.731 -4.109 -17.438 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.621 -1.338 -15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.056 -2.338 -16.838 1.00 0.00 H new ATOM 276 N ARG A 22 0.763 0.269 -10.914 1.00 0.00 N ATOM 277 CA ARG A 22 0.320 1.658 -10.888 1.00 0.00 C ATOM 278 C ARG A 22 -0.670 1.934 -12.015 1.00 0.00 C ATOM 279 O ARG A 22 -0.380 1.685 -13.186 1.00 0.00 O ATOM 280 CB ARG A 22 1.519 2.601 -11.006 1.00 0.00 C ATOM 281 CG ARG A 22 1.174 4.059 -10.754 1.00 0.00 C ATOM 282 CD ARG A 22 0.981 4.338 -9.271 1.00 0.00 C ATOM 283 NE ARG A 22 1.448 5.671 -8.900 1.00 0.00 N ATOM 284 CZ ARG A 22 0.849 6.793 -9.284 1.00 0.00 C ATOM 285 NH1 ARG A 22 -0.234 6.742 -10.048 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.333 7.968 -8.905 1.00 0.00 N ATOM 0 H ARG A 22 1.776 0.149 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.181 1.835 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.286 2.290 -10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.949 2.505 -12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.969 4.695 -11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.264 4.317 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.075 4.240 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.519 3.590 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 22 2.280 5.745 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.609 5.840 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.692 7.605 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.166 8.011 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.872 8.829 -9.200 1.00 0.00 H new ATOM 300 N VAL A 23 -1.842 2.448 -11.654 1.00 0.00 N ATOM 301 CA VAL A 23 -2.875 2.758 -12.635 1.00 0.00 C ATOM 302 C VAL A 23 -2.501 3.985 -13.459 1.00 0.00 C ATOM 303 O VAL A 23 -2.302 5.072 -12.918 1.00 0.00 O ATOM 304 CB VAL A 23 -4.236 3.005 -11.957 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.298 3.332 -12.996 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.644 1.796 -11.128 1.00 0.00 C ATOM 0 H VAL A 23 -2.099 2.658 -10.690 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.956 1.893 -13.293 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.140 3.861 -11.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.253 3.503 -12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.008 4.229 -13.543 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.396 2.498 -13.691 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.608 1.987 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.724 0.922 -11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.893 1.612 -10.359 1.00 0.00 H new ATOM 316 N GLY A 24 -2.407 3.803 -14.773 1.00 0.00 N ATOM 317 CA GLY A 24 -2.056 4.904 -15.651 1.00 0.00 C ATOM 318 C GLY A 24 -0.568 4.974 -15.928 1.00 0.00 C ATOM 319 O GLY A 24 -0.150 5.380 -17.012 1.00 0.00 O ATOM 0 H GLY A 24 -2.568 2.913 -15.245 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.593 4.798 -16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.383 5.842 -15.201 1.00 0.00 H new ATOM 323 N MET A 25 0.235 4.578 -14.945 1.00 0.00 N ATOM 324 CA MET A 25 1.686 4.598 -15.089 1.00 0.00 C ATOM 325 C MET A 25 2.241 3.182 -15.200 1.00 0.00 C ATOM 326 O MET A 25 1.766 2.265 -14.530 1.00 0.00 O ATOM 327 CB MET A 25 2.327 5.318 -13.901 1.00 0.00 C ATOM 328 CG MET A 25 2.525 6.808 -14.128 1.00 0.00 C ATOM 329 SD MET A 25 2.456 7.760 -12.598 1.00 0.00 S ATOM 330 CE MET A 25 3.594 6.833 -11.571 1.00 0.00 C ATOM 0 H MET A 25 -0.095 4.240 -14.041 1.00 0.00 H new ATOM 0 HA MET A 25 1.928 5.137 -16.005 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.703 5.173 -13.019 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.293 4.860 -13.687 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.488 6.973 -14.611 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.759 7.172 -14.813 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.035 6.275 -10.820 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.161 6.139 -12.191 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.280 7.520 -11.076 1.00 0.00 H new ATOM 340 N SER A 26 3.248 3.011 -16.050 1.00 0.00 N ATOM 341 CA SER A 26 3.865 1.705 -16.251 1.00 0.00 C ATOM 342 C SER A 26 5.056 1.516 -15.316 1.00 0.00 C ATOM 343 O SER A 26 5.861 0.604 -15.495 1.00 0.00 O ATOM 344 CB SER A 26 4.314 1.548 -17.705 1.00 0.00 C ATOM 345 OG SER A 26 4.235 0.196 -18.121 1.00 0.00 O ATOM 0 H SER A 26 3.654 3.760 -16.611 1.00 0.00 H new ATOM 0 HA SER A 26 3.122 0.941 -16.023 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.690 2.167 -18.350 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.338 1.906 -17.813 1.00 0.00 H new ATOM 0 HG SER A 26 4.526 0.123 -19.054 1.00 0.00 H new ATOM 351 N ALA A 27 5.159 2.387 -14.317 1.00 0.00 N ATOM 352 CA ALA A 27 6.249 2.316 -13.352 1.00 0.00 C ATOM 353 C ALA A 27 5.723 2.398 -11.923 1.00 0.00 C ATOM 354 O ALA A 27 4.515 2.446 -11.698 1.00 0.00 O ATOM 355 CB ALA A 27 7.255 3.428 -13.610 1.00 0.00 C ATOM 0 H ALA A 27 4.501 3.149 -14.155 1.00 0.00 H new ATOM 0 HA ALA A 27 6.747 1.354 -13.474 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.064 3.363 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.663 3.324 -14.616 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.760 4.395 -13.517 1.00 0.00 H new ATOM 361 N GLY A 28 6.640 2.411 -10.960 1.00 0.00 N ATOM 362 CA GLY A 28 6.248 2.486 -9.564 1.00 0.00 C ATOM 363 C GLY A 28 5.426 1.289 -9.128 1.00 0.00 C ATOM 364 O GLY A 28 4.481 1.427 -8.351 1.00 0.00 O ATOM 0 H GLY A 28 7.646 2.371 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.141 2.556 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.673 3.397 -9.400 1.00 0.00 H new ATOM 368 N TRP A 29 5.783 0.113 -9.631 1.00 0.00 N ATOM 369 CA TRP A 29 5.070 -1.113 -9.290 1.00 0.00 C ATOM 370 C TRP A 29 5.554 -1.671 -7.956 1.00 0.00 C ATOM 371 O TRP A 29 6.698 -2.112 -7.835 1.00 0.00 O ATOM 372 CB TRP A 29 5.253 -2.157 -10.391 1.00 0.00 C ATOM 373 CG TRP A 29 4.604 -1.775 -11.687 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.978 -0.595 -11.973 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.516 -2.575 -12.871 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.506 -0.615 -13.263 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.824 -1.818 -13.836 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.956 -3.858 -13.210 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.562 -2.302 -15.114 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.696 -4.337 -14.480 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.005 -3.560 -15.420 1.00 0.00 C ATOM 0 H TRP A 29 6.562 -0.018 -10.276 1.00 0.00 H new ATOM 0 HA TRP A 29 4.010 -0.874 -9.199 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.318 -2.314 -10.559 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.840 -3.107 -10.053 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.870 0.232 -11.286 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.000 0.144 -13.720 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.489 -4.464 -12.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.028 -1.706 -15.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.031 -5.327 -14.753 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.819 -3.962 -16.405 1.00 0.00 H new ATOM 392 N LEU A 30 4.679 -1.650 -6.958 1.00 0.00 N ATOM 393 CA LEU A 30 5.018 -2.156 -5.632 1.00 0.00 C ATOM 394 C LEU A 30 4.953 -3.679 -5.597 1.00 0.00 C ATOM 395 O LEU A 30 3.870 -4.265 -5.570 1.00 0.00 O ATOM 396 CB LEU A 30 4.070 -1.570 -4.583 1.00 0.00 C ATOM 397 CG LEU A 30 3.830 -0.062 -4.664 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.854 0.382 -3.586 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.144 0.695 -4.540 1.00 0.00 C ATOM 0 H LEU A 30 3.729 -1.288 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 30 6.039 -1.849 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.108 -2.076 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.466 -1.802 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 30 3.393 0.165 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.696 1.458 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.904 -0.135 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.262 0.141 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.954 1.767 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.609 0.462 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.812 0.399 -5.349 1.00 0.00 H new ATOM 411 N LEU A 31 6.120 -4.315 -5.595 1.00 0.00 N ATOM 412 CA LEU A 31 6.197 -5.772 -5.561 1.00 0.00 C ATOM 413 C LEU A 31 5.597 -6.319 -4.270 1.00 0.00 C ATOM 414 O LEU A 31 5.853 -5.797 -3.184 1.00 0.00 O ATOM 415 CB LEU A 31 7.650 -6.229 -5.695 1.00 0.00 C ATOM 416 CG LEU A 31 7.897 -7.731 -5.557 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.660 -8.435 -6.884 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.309 -7.996 -5.055 1.00 0.00 C ATOM 0 H LEU A 31 7.025 -3.845 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 31 5.621 -6.161 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.023 -5.908 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.243 -5.713 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 31 7.193 -8.130 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.841 -9.503 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.630 -8.274 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.339 -8.033 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.467 -9.071 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.030 -7.583 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.443 -7.525 -4.081 1.00 0.00 H new ATOM 430 N LEU A 32 4.799 -7.373 -4.394 1.00 0.00 N ATOM 431 CA LEU A 32 4.164 -7.994 -3.237 1.00 0.00 C ATOM 432 C LEU A 32 4.658 -9.424 -3.046 1.00 0.00 C ATOM 433 O LEU A 32 3.911 -10.381 -3.248 1.00 0.00 O ATOM 434 CB LEU A 32 2.643 -7.985 -3.399 1.00 0.00 C ATOM 435 CG LEU A 32 1.966 -6.616 -3.311 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.526 -6.701 -3.793 1.00 0.00 C ATOM 437 CD2 LEU A 32 2.023 -6.084 -1.887 1.00 0.00 C ATOM 0 H LEU A 32 4.576 -7.816 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 32 4.433 -7.416 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.398 -8.428 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.212 -8.631 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 32 2.504 -5.923 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.060 -5.718 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.509 -7.038 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.024 -7.408 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.537 -5.109 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.510 -6.776 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.063 -5.985 -1.577 1.00 0.00 H new ATOM 449 N GLU A 33 5.920 -9.561 -2.652 1.00 0.00 N ATOM 450 CA GLU A 33 6.513 -10.875 -2.432 1.00 0.00 C ATOM 451 C GLU A 33 5.696 -11.678 -1.424 1.00 0.00 C ATOM 452 O GLU A 33 5.288 -11.159 -0.385 1.00 0.00 O ATOM 453 CB GLU A 33 7.954 -10.733 -1.939 1.00 0.00 C ATOM 454 CG GLU A 33 8.989 -11.249 -2.925 1.00 0.00 C ATOM 455 CD GLU A 33 10.398 -11.212 -2.366 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.568 -10.760 -1.214 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.331 -11.635 -3.080 1.00 0.00 O ATOM 0 H GLU A 33 6.551 -8.779 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 33 6.513 -11.409 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.156 -9.682 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.062 -11.271 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.740 -12.273 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.948 -10.651 -3.835 1.00 0.00 H new ATOM 464 N ASP A 34 5.461 -12.947 -1.740 1.00 0.00 N ATOM 465 CA ASP A 34 4.693 -13.823 -0.863 1.00 0.00 C ATOM 466 C ASP A 34 5.376 -13.968 0.494 1.00 0.00 C ATOM 467 O ASP A 34 6.501 -14.456 0.585 1.00 0.00 O ATOM 468 CB ASP A 34 4.517 -15.199 -1.508 1.00 0.00 C ATOM 469 CG ASP A 34 4.124 -16.264 -0.503 1.00 0.00 C ATOM 470 OD1 ASP A 34 5.029 -16.842 0.133 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.910 -16.520 -0.354 1.00 0.00 O ATOM 0 H ASP A 34 5.791 -13.392 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 34 3.712 -13.373 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.755 -15.138 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.447 -15.490 -1.996 1.00 0.00 H new ATOM 476 N GLY A 35 4.686 -13.539 1.546 1.00 0.00 N ATOM 477 CA GLY A 35 5.242 -13.628 2.884 1.00 0.00 C ATOM 478 C GLY A 35 6.114 -12.437 3.230 1.00 0.00 C ATOM 479 O GLY A 35 6.913 -12.495 4.165 1.00 0.00 O ATOM 0 H GLY A 35 3.752 -13.132 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.430 -13.702 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.830 -14.542 2.970 1.00 0.00 H new ATOM 483 N CYS A 36 5.963 -11.356 2.473 1.00 0.00 N ATOM 484 CA CYS A 36 6.746 -10.146 2.703 1.00 0.00 C ATOM 485 C CYS A 36 5.835 -8.942 2.916 1.00 0.00 C ATOM 486 O CYS A 36 5.093 -8.546 2.018 1.00 0.00 O ATOM 487 CB CYS A 36 7.684 -9.889 1.523 1.00 0.00 C ATOM 488 SG CYS A 36 9.225 -10.833 1.586 1.00 0.00 S ATOM 0 H CYS A 36 5.306 -11.292 1.695 1.00 0.00 H new ATOM 0 HA CYS A 36 7.340 -10.293 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.161 -10.129 0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.923 -8.826 1.487 1.00 0.00 H new ATOM 0 HG CYS A 36 9.795 -10.811 0.418 1.00 0.00 H new ATOM 494 N GLU A 37 5.897 -8.364 4.112 1.00 0.00 N ATOM 495 CA GLU A 37 5.075 -7.206 4.443 1.00 0.00 C ATOM 496 C GLU A 37 5.387 -6.034 3.516 1.00 0.00 C ATOM 497 O GLU A 37 6.550 -5.743 3.235 1.00 0.00 O ATOM 498 CB GLU A 37 5.300 -6.792 5.899 1.00 0.00 C ATOM 499 CG GLU A 37 4.059 -6.229 6.570 1.00 0.00 C ATOM 500 CD GLU A 37 4.387 -5.364 7.772 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.420 -4.662 7.732 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.613 -5.390 8.752 1.00 0.00 O ATOM 0 H GLU A 37 6.507 -8.678 4.867 1.00 0.00 H new ATOM 0 HA GLU A 37 4.030 -7.485 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.648 -7.657 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.094 -6.046 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.495 -5.640 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.415 -7.051 6.883 1.00 0.00 H new ATOM 509 N VAL A 38 4.340 -5.365 3.044 1.00 0.00 N ATOM 510 CA VAL A 38 4.501 -4.225 2.149 1.00 0.00 C ATOM 511 C VAL A 38 3.803 -2.989 2.704 1.00 0.00 C ATOM 512 O VAL A 38 2.592 -2.825 2.552 1.00 0.00 O ATOM 513 CB VAL A 38 3.944 -4.530 0.746 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.090 -3.318 -0.161 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.642 -5.742 0.148 1.00 0.00 C ATOM 0 H VAL A 38 3.371 -5.593 3.267 1.00 0.00 H new ATOM 0 HA VAL A 38 5.571 -4.031 2.072 1.00 0.00 H new ATOM 0 HB VAL A 38 2.882 -4.760 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.691 -3.552 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.540 -2.478 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.144 -3.054 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.236 -5.943 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.711 -5.544 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.480 -6.608 0.789 1.00 0.00 H new ATOM 525 N THR A 39 4.575 -2.119 3.348 1.00 0.00 N ATOM 526 CA THR A 39 4.031 -0.896 3.926 1.00 0.00 C ATOM 527 C THR A 39 4.291 0.303 3.022 1.00 0.00 C ATOM 528 O THR A 39 5.434 0.585 2.661 1.00 0.00 O ATOM 529 CB THR A 39 4.633 -0.617 5.316 1.00 0.00 C ATOM 530 OG1 THR A 39 6.016 -0.268 5.190 1.00 0.00 O ATOM 531 CG2 THR A 39 4.491 -1.831 6.221 1.00 0.00 C ATOM 0 H THR A 39 5.579 -2.239 3.482 1.00 0.00 H new ATOM 0 HA THR A 39 2.956 -1.045 4.026 1.00 0.00 H new ATOM 0 HB THR A 39 4.088 0.215 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.526 -0.686 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.923 -1.610 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.435 -2.076 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.012 -2.679 5.777 1.00 0.00 H new ATOM 539 N VAL A 40 3.224 1.007 2.659 1.00 0.00 N ATOM 540 CA VAL A 40 3.338 2.178 1.797 1.00 0.00 C ATOM 541 C VAL A 40 3.159 3.466 2.594 1.00 0.00 C ATOM 542 O VAL A 40 2.434 3.498 3.587 1.00 0.00 O ATOM 543 CB VAL A 40 2.298 2.142 0.662 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.550 3.269 -0.329 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.320 0.791 -0.038 1.00 0.00 C ATOM 0 H VAL A 40 2.271 0.787 2.948 1.00 0.00 H new ATOM 0 HA VAL A 40 4.338 2.157 1.365 1.00 0.00 H new ATOM 0 HB VAL A 40 1.308 2.285 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.805 3.228 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.480 4.228 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.546 3.160 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.579 0.783 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.310 0.616 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.087 0.005 0.680 1.00 0.00 H new ATOM 555 N GLY A 41 3.827 4.527 2.151 1.00 0.00 N ATOM 556 CA GLY A 41 3.729 5.803 2.834 1.00 0.00 C ATOM 557 C GLY A 41 4.866 6.740 2.477 1.00 0.00 C ATOM 558 O GLY A 41 5.453 6.634 1.400 1.00 0.00 O ATOM 0 H GLY A 41 4.434 4.525 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.780 6.275 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.725 5.636 3.911 1.00 0.00 H new ATOM 562 N ARG A 42 5.177 7.662 3.382 1.00 0.00 N ATOM 563 CA ARG A 42 6.249 8.624 3.156 1.00 0.00 C ATOM 564 C ARG A 42 7.135 8.751 4.392 1.00 0.00 C ATOM 565 O ARG A 42 7.760 9.786 4.617 1.00 0.00 O ATOM 566 CB ARG A 42 5.668 9.991 2.790 1.00 0.00 C ATOM 567 CG ARG A 42 4.791 10.591 3.877 1.00 0.00 C ATOM 568 CD ARG A 42 4.772 12.110 3.802 1.00 0.00 C ATOM 569 NE ARG A 42 4.239 12.711 5.021 1.00 0.00 N ATOM 570 CZ ARG A 42 4.241 14.018 5.258 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.744 14.857 4.362 1.00 0.00 N ATOM 572 NH2 ARG A 42 3.738 14.490 6.391 1.00 0.00 N ATOM 0 H ARG A 42 4.702 7.763 4.279 1.00 0.00 H new ATOM 0 HA ARG A 42 6.859 8.262 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.486 10.678 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.083 9.895 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.775 10.208 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.157 10.278 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.784 12.477 3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.169 12.423 2.950 1.00 0.00 H new ATOM 0 HE ARG A 42 3.843 12.093 5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.130 14.499 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.744 15.860 4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.349 13.849 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.741 15.494 6.571 1.00 0.00 H new ATOM 586 N GLY A 43 7.184 7.689 5.191 1.00 0.00 N ATOM 587 CA GLY A 43 7.996 7.702 6.394 1.00 0.00 C ATOM 588 C GLY A 43 9.367 7.095 6.174 1.00 0.00 C ATOM 589 O GLY A 43 9.616 6.457 5.151 1.00 0.00 O ATOM 0 H GLY A 43 6.676 6.820 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.108 8.729 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.481 7.153 7.182 1.00 0.00 H new ATOM 593 N PHE A 44 10.261 7.294 7.137 1.00 0.00 N ATOM 594 CA PHE A 44 11.617 6.763 7.043 1.00 0.00 C ATOM 595 C PHE A 44 11.696 5.364 7.646 1.00 0.00 C ATOM 596 O PHE A 44 12.340 5.154 8.673 1.00 0.00 O ATOM 597 CB PHE A 44 12.601 7.694 7.755 1.00 0.00 C ATOM 598 CG PHE A 44 14.009 7.582 7.242 1.00 0.00 C ATOM 599 CD1 PHE A 44 14.324 7.982 5.953 1.00 0.00 C ATOM 600 CD2 PHE A 44 15.016 7.077 8.048 1.00 0.00 C ATOM 601 CE1 PHE A 44 15.618 7.881 5.478 1.00 0.00 C ATOM 602 CE2 PHE A 44 16.312 6.973 7.578 1.00 0.00 C ATOM 603 CZ PHE A 44 16.613 7.375 6.291 1.00 0.00 C ATOM 0 H PHE A 44 10.072 7.819 7.991 1.00 0.00 H new ATOM 0 HA PHE A 44 11.884 6.700 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.262 8.724 7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.593 7.471 8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.549 8.377 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.786 6.761 9.055 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.851 8.197 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 44 17.088 6.578 8.216 1.00 0.00 H new ATOM 0 HZ PHE A 44 17.625 7.294 5.921 1.00 0.00 H new ATOM 613 N GLY A 45 11.035 4.409 6.999 1.00 0.00 N ATOM 614 CA GLY A 45 11.042 3.041 7.486 1.00 0.00 C ATOM 615 C GLY A 45 10.209 2.115 6.622 1.00 0.00 C ATOM 616 O GLY A 45 10.529 0.934 6.478 1.00 0.00 O ATOM 0 H GLY A 45 10.495 4.558 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.068 2.676 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.662 3.020 8.507 1.00 0.00 H new ATOM 620 N VAL A 46 9.137 2.648 6.047 1.00 0.00 N ATOM 621 CA VAL A 46 8.255 1.861 5.193 1.00 0.00 C ATOM 622 C VAL A 46 9.033 1.197 4.063 1.00 0.00 C ATOM 623 O VAL A 46 10.135 1.625 3.717 1.00 0.00 O ATOM 624 CB VAL A 46 7.135 2.729 4.590 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.092 3.065 5.644 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.715 3.996 3.979 1.00 0.00 C ATOM 0 H VAL A 46 8.857 3.623 6.157 1.00 0.00 H new ATOM 0 HA VAL A 46 7.808 1.092 5.823 1.00 0.00 H new ATOM 0 HB VAL A 46 6.646 2.161 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.309 3.679 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.655 2.144 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.563 3.613 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.910 4.598 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.231 4.569 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.420 3.730 3.191 1.00 0.00 H new ATOM 636 N THR A 47 8.454 0.147 3.489 1.00 0.00 N ATOM 637 CA THR A 47 9.093 -0.577 2.398 1.00 0.00 C ATOM 638 C THR A 47 9.039 0.222 1.101 1.00 0.00 C ATOM 639 O THR A 47 9.950 0.148 0.277 1.00 0.00 O ATOM 640 CB THR A 47 8.429 -1.949 2.170 1.00 0.00 C ATOM 641 OG1 THR A 47 8.397 -2.687 3.396 1.00 0.00 O ATOM 642 CG2 THR A 47 9.180 -2.744 1.113 1.00 0.00 C ATOM 0 H THR A 47 7.543 -0.221 3.762 1.00 0.00 H new ATOM 0 HA THR A 47 10.134 -0.728 2.686 1.00 0.00 H new ATOM 0 HB THR A 47 7.410 -1.782 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.972 -3.557 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.693 -3.709 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.178 -2.192 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.208 -2.902 1.439 1.00 0.00 H new ATOM 650 N TYR A 48 7.967 0.987 0.928 1.00 0.00 N ATOM 651 CA TYR A 48 7.794 1.800 -0.270 1.00 0.00 C ATOM 652 C TYR A 48 7.466 3.245 0.094 1.00 0.00 C ATOM 653 O TYR A 48 6.418 3.526 0.676 1.00 0.00 O ATOM 654 CB TYR A 48 6.686 1.220 -1.150 1.00 0.00 C ATOM 655 CG TYR A 48 7.045 -0.108 -1.780 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.197 -0.247 -2.545 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.233 -1.222 -1.610 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.529 -1.457 -3.122 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.558 -2.436 -2.182 1.00 0.00 C ATOM 660 CZ TYR A 48 7.706 -2.549 -2.937 1.00 0.00 C ATOM 661 OH TYR A 48 8.032 -3.757 -3.510 1.00 0.00 O ATOM 0 H TYR A 48 7.205 1.061 1.602 1.00 0.00 H new ATOM 0 HA TYR A 48 8.733 1.788 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.785 1.096 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.448 1.934 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.844 0.606 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.332 -1.137 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.427 -1.548 -3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.916 -3.293 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 48 7.317 -4.404 -3.338 1.00 0.00 H new ATOM 671 N GLN A 49 8.369 4.156 -0.254 1.00 0.00 N ATOM 672 CA GLN A 49 8.175 5.572 0.036 1.00 0.00 C ATOM 673 C GLN A 49 7.626 6.307 -1.182 1.00 0.00 C ATOM 674 O GLN A 49 7.979 5.994 -2.320 1.00 0.00 O ATOM 675 CB GLN A 49 9.494 6.208 0.480 1.00 0.00 C ATOM 676 CG GLN A 49 9.407 7.713 0.678 1.00 0.00 C ATOM 677 CD GLN A 49 10.706 8.311 1.181 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.761 8.135 0.570 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.636 9.023 2.299 1.00 0.00 N ATOM 0 H GLN A 49 9.241 3.939 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 49 7.449 5.656 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.815 5.745 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.261 5.991 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.136 8.185 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.610 7.937 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.740 9.143 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.478 9.450 2.685 1.00 0.00 H new ATOM 688 N LEU A 50 6.762 7.285 -0.936 1.00 0.00 N ATOM 689 CA LEU A 50 6.163 8.066 -2.013 1.00 0.00 C ATOM 690 C LEU A 50 6.022 9.530 -1.611 1.00 0.00 C ATOM 691 O LEU A 50 5.221 9.871 -0.740 1.00 0.00 O ATOM 692 CB LEU A 50 4.795 7.493 -2.385 1.00 0.00 C ATOM 693 CG LEU A 50 4.743 5.984 -2.631 1.00 0.00 C ATOM 694 CD1 LEU A 50 3.311 5.479 -2.550 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.356 5.642 -3.981 1.00 0.00 C ATOM 0 H LEU A 50 6.460 7.556 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 50 6.822 8.009 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.093 7.735 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.443 8.000 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 50 5.326 5.488 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.294 4.404 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.906 5.690 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.705 5.981 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.310 4.564 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.802 6.148 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.396 5.968 -4.001 1.00 0.00 H new ATOM 707 N VAL A 51 6.804 10.393 -2.252 1.00 0.00 N ATOM 708 CA VAL A 51 6.763 11.822 -1.963 1.00 0.00 C ATOM 709 C VAL A 51 6.473 12.629 -3.224 1.00 0.00 C ATOM 710 O VAL A 51 7.088 12.412 -4.268 1.00 0.00 O ATOM 711 CB VAL A 51 8.089 12.308 -1.350 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.965 13.750 -0.882 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.509 11.402 -0.203 1.00 0.00 C ATOM 0 H VAL A 51 7.473 10.128 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 51 5.960 11.977 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 51 8.861 12.266 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.912 14.076 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.713 14.387 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.181 13.822 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.448 11.760 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.739 11.410 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.642 10.385 -0.572 1.00 0.00 H new ATOM 723 N SER A 52 5.532 13.562 -3.119 1.00 0.00 N ATOM 724 CA SER A 52 5.157 14.401 -4.251 1.00 0.00 C ATOM 725 C SER A 52 5.102 15.870 -3.845 1.00 0.00 C ATOM 726 O SER A 52 4.544 16.218 -2.804 1.00 0.00 O ATOM 727 CB SER A 52 3.802 13.963 -4.810 1.00 0.00 C ATOM 728 OG SER A 52 3.713 14.231 -6.199 1.00 0.00 O ATOM 0 H SER A 52 5.015 13.756 -2.261 1.00 0.00 H new ATOM 0 HA SER A 52 5.916 14.285 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.659 12.897 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.002 14.484 -4.284 1.00 0.00 H new ATOM 0 HG SER A 52 2.839 13.941 -6.533 1.00 0.00 H new ATOM 734 N LYS A 53 5.685 16.729 -4.673 1.00 0.00 N ATOM 735 CA LYS A 53 5.703 18.162 -4.403 1.00 0.00 C ATOM 736 C LYS A 53 4.291 18.737 -4.426 1.00 0.00 C ATOM 737 O LYS A 53 4.015 19.755 -3.790 1.00 0.00 O ATOM 738 CB LYS A 53 6.576 18.885 -5.432 1.00 0.00 C ATOM 739 CG LYS A 53 8.027 19.027 -5.006 1.00 0.00 C ATOM 740 CD LYS A 53 8.815 17.757 -5.280 1.00 0.00 C ATOM 741 CE LYS A 53 8.863 16.855 -4.057 1.00 0.00 C ATOM 742 NZ LYS A 53 8.934 15.415 -4.432 1.00 0.00 N ATOM 0 H LYS A 53 6.152 16.458 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 53 6.123 18.314 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.535 18.342 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.161 19.876 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.483 19.862 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.074 19.263 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.362 17.219 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.830 18.016 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.729 17.115 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.979 17.027 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.965 14.833 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.095 15.160 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.791 15.245 -4.996 1.00 0.00 H new ATOM 756 N ILE A 54 3.400 18.079 -5.160 1.00 0.00 N ATOM 757 CA ILE A 54 2.016 18.524 -5.262 1.00 0.00 C ATOM 758 C ILE A 54 1.277 18.330 -3.942 1.00 0.00 C ATOM 759 O ILE A 54 0.981 19.295 -3.237 1.00 0.00 O ATOM 760 CB ILE A 54 1.263 17.771 -6.374 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.961 17.975 -7.721 1.00 0.00 C ATOM 762 CG2 ILE A 54 -0.183 18.239 -6.445 1.00 0.00 C ATOM 763 CD1 ILE A 54 2.038 19.424 -8.148 1.00 0.00 C ATOM 0 H ILE A 54 3.612 17.236 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 54 2.044 19.586 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 54 1.269 16.706 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.970 17.567 -7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.431 17.407 -8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.702 17.698 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.675 18.048 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.210 19.307 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.545 19.493 -9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.031 19.831 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.594 19.994 -7.403 1.00 0.00 H new ATOM 775 N CYS A 55 0.984 17.076 -3.614 1.00 0.00 N ATOM 776 CA CYS A 55 0.280 16.755 -2.377 1.00 0.00 C ATOM 777 C CYS A 55 1.060 15.731 -1.558 1.00 0.00 C ATOM 778 O CYS A 55 0.694 14.559 -1.473 1.00 0.00 O ATOM 779 CB CYS A 55 -1.118 16.219 -2.686 1.00 0.00 C ATOM 780 SG CYS A 55 -2.152 17.359 -3.636 1.00 0.00 S ATOM 0 H CYS A 55 1.223 16.266 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 55 0.190 17.670 -1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.023 15.285 -3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.621 15.985 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.820 18.121 -2.821 1.00 0.00 H new ATOM 786 N PRO A 56 2.163 16.182 -0.943 1.00 0.00 N ATOM 787 CA PRO A 56 3.019 15.321 -0.121 1.00 0.00 C ATOM 788 C PRO A 56 2.343 14.906 1.181 1.00 0.00 C ATOM 789 O PRO A 56 2.776 13.961 1.844 1.00 0.00 O ATOM 790 CB PRO A 56 4.237 16.202 0.166 1.00 0.00 C ATOM 791 CG PRO A 56 3.730 17.599 0.055 1.00 0.00 C ATOM 792 CD PRO A 56 2.660 17.567 -1.001 1.00 0.00 C ATOM 0 HA PRO A 56 3.262 14.386 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.642 16.006 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.039 16.014 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.329 17.946 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.531 18.284 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.868 18.287 -0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.060 17.809 -1.986 1.00 0.00 H new ATOM 800 N LEU A 57 1.281 15.615 1.544 1.00 0.00 N ATOM 801 CA LEU A 57 0.544 15.320 2.768 1.00 0.00 C ATOM 802 C LEU A 57 -0.529 14.265 2.516 1.00 0.00 C ATOM 803 O LEU A 57 -0.940 13.553 3.432 1.00 0.00 O ATOM 804 CB LEU A 57 -0.097 16.594 3.321 1.00 0.00 C ATOM 805 CG LEU A 57 0.850 17.770 3.564 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.077 18.984 4.057 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.935 17.385 4.559 1.00 0.00 C ATOM 0 H LEU A 57 0.910 16.399 1.008 1.00 0.00 H new ATOM 0 HA LEU A 57 1.248 14.928 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.874 16.916 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.590 16.350 4.262 1.00 0.00 H new ATOM 0 HG LEU A 57 1.328 18.028 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.767 19.811 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.662 19.273 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.429 18.739 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.599 18.234 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.476 17.099 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.508 16.545 4.166 1.00 0.00 H new ATOM 819 N MET A 58 -0.977 14.170 1.268 1.00 0.00 N ATOM 820 CA MET A 58 -2.000 13.200 0.896 1.00 0.00 C ATOM 821 C MET A 58 -1.614 11.798 1.359 1.00 0.00 C ATOM 822 O MET A 58 -2.479 10.975 1.661 1.00 0.00 O ATOM 823 CB MET A 58 -2.213 13.207 -0.619 1.00 0.00 C ATOM 824 CG MET A 58 -3.523 12.569 -1.052 1.00 0.00 C ATOM 825 SD MET A 58 -4.110 13.195 -2.638 1.00 0.00 S ATOM 826 CE MET A 58 -5.041 14.632 -2.111 1.00 0.00 C ATOM 0 H MET A 58 -0.648 14.753 0.498 1.00 0.00 H new ATOM 0 HA MET A 58 -2.930 13.484 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.184 14.236 -0.977 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.387 12.680 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.392 11.489 -1.118 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.281 12.752 -0.290 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.880 14.791 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.417 14.472 -1.100 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.394 15.509 -2.123 1.00 0.00 H new ATOM 836 N ILE A 59 -0.313 11.535 1.414 1.00 0.00 N ATOM 837 CA ILE A 59 0.185 10.234 1.841 1.00 0.00 C ATOM 838 C ILE A 59 0.797 10.311 3.236 1.00 0.00 C ATOM 839 O ILE A 59 1.596 11.201 3.526 1.00 0.00 O ATOM 840 CB ILE A 59 1.237 9.684 0.860 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.683 9.676 -0.565 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.667 8.284 1.275 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.587 8.867 -0.716 1.00 0.00 C ATOM 0 H ILE A 59 0.415 12.206 1.168 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.670 9.559 1.859 1.00 0.00 H new ATOM 0 HB ILE A 59 2.111 10.335 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.489 10.702 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.441 9.276 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.411 7.908 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.098 8.317 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.801 7.622 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.922 8.906 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.394 7.831 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.361 9.280 -0.068 1.00 0.00 H new ATOM 855 N SER A 60 0.419 9.370 4.095 1.00 0.00 N ATOM 856 CA SER A 60 0.930 9.332 5.460 1.00 0.00 C ATOM 857 C SER A 60 2.052 8.307 5.593 1.00 0.00 C ATOM 858 O SER A 60 2.272 7.492 4.697 1.00 0.00 O ATOM 859 CB SER A 60 -0.198 8.999 6.440 1.00 0.00 C ATOM 860 OG SER A 60 -0.903 7.840 6.031 1.00 0.00 O ATOM 0 H SER A 60 -0.239 8.624 3.870 1.00 0.00 H new ATOM 0 HA SER A 60 1.331 10.317 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.216 8.844 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.886 9.842 6.508 1.00 0.00 H new ATOM 0 HG SER A 60 -1.617 7.648 6.674 1.00 0.00 H new ATOM 866 N ARG A 61 2.760 8.355 6.717 1.00 0.00 N ATOM 867 CA ARG A 61 3.860 7.433 6.967 1.00 0.00 C ATOM 868 C ARG A 61 3.416 5.987 6.762 1.00 0.00 C ATOM 869 O ARG A 61 4.113 5.197 6.127 1.00 0.00 O ATOM 870 CB ARG A 61 4.395 7.616 8.388 1.00 0.00 C ATOM 871 CG ARG A 61 5.128 8.931 8.598 1.00 0.00 C ATOM 872 CD ARG A 61 5.859 8.955 9.931 1.00 0.00 C ATOM 873 NE ARG A 61 6.755 10.102 10.044 1.00 0.00 N ATOM 874 CZ ARG A 61 7.456 10.383 11.137 1.00 0.00 C ATOM 875 NH1 ARG A 61 7.364 9.604 12.206 1.00 0.00 N ATOM 876 NH2 ARG A 61 8.250 11.446 11.162 1.00 0.00 N ATOM 0 H ARG A 61 2.591 9.023 7.469 1.00 0.00 H new ATOM 0 HA ARG A 61 4.655 7.655 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.564 7.557 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.069 6.792 8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.841 9.085 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.417 9.756 8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.132 8.982 10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.432 8.035 10.047 1.00 0.00 H new ATOM 0 HE ARG A 61 6.848 10.722 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.754 8.787 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.903 9.822 13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.322 12.048 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.788 11.661 12.002 1.00 0.00 H new ATOM 890 N ASN A 62 2.250 5.650 7.304 1.00 0.00 N ATOM 891 CA ASN A 62 1.713 4.299 7.182 1.00 0.00 C ATOM 892 C ASN A 62 0.297 4.326 6.614 1.00 0.00 C ATOM 893 O ASN A 62 -0.649 3.868 7.255 1.00 0.00 O ATOM 894 CB ASN A 62 1.715 3.602 8.544 1.00 0.00 C ATOM 895 CG ASN A 62 3.117 3.379 9.077 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.750 4.299 9.595 1.00 0.00 O ATOM 897 ND2 ASN A 62 3.609 2.152 8.952 1.00 0.00 N ATOM 0 H ASN A 62 1.659 6.293 7.831 1.00 0.00 H new ATOM 0 HA ASN A 62 2.350 3.742 6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.149 4.202 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.205 2.643 8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.547 1.942 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.049 1.420 8.516 1.00 0.00 H new ATOM 904 N HIS A 63 0.160 4.866 5.407 1.00 0.00 N ATOM 905 CA HIS A 63 -1.140 4.952 4.752 1.00 0.00 C ATOM 906 C HIS A 63 -1.830 3.591 4.733 1.00 0.00 C ATOM 907 O HIS A 63 -3.051 3.502 4.864 1.00 0.00 O ATOM 908 CB HIS A 63 -0.982 5.477 3.325 1.00 0.00 C ATOM 909 CG HIS A 63 -2.161 6.264 2.842 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.226 7.640 2.908 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.325 5.861 2.281 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.380 8.049 2.410 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.065 6.988 2.022 1.00 0.00 N ATOM 0 H HIS A 63 0.933 5.250 4.863 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.760 5.646 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.092 6.104 3.274 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.818 4.635 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.617 4.842 2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.707 9.075 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.993 7.004 1.599 1.00 0.00 H new ATOM 921 N CYS A 64 -1.041 2.536 4.566 1.00 0.00 N ATOM 922 CA CYS A 64 -1.576 1.180 4.528 1.00 0.00 C ATOM 923 C CYS A 64 -0.468 0.152 4.737 1.00 0.00 C ATOM 924 O CYS A 64 0.717 0.483 4.691 1.00 0.00 O ATOM 925 CB CYS A 64 -2.280 0.924 3.194 1.00 0.00 C ATOM 926 SG CYS A 64 -1.159 0.795 1.781 1.00 0.00 S ATOM 0 H CYS A 64 -0.029 2.593 4.455 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.299 1.079 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.858 0.003 3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.989 1.731 3.009 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.847 0.576 0.700 1.00 0.00 H new ATOM 932 N VAL A 65 -0.862 -1.096 4.969 1.00 0.00 N ATOM 933 CA VAL A 65 0.097 -2.173 5.186 1.00 0.00 C ATOM 934 C VAL A 65 -0.433 -3.498 4.651 1.00 0.00 C ATOM 935 O VAL A 65 -1.280 -4.138 5.275 1.00 0.00 O ATOM 936 CB VAL A 65 0.432 -2.333 6.681 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.412 -3.477 6.889 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.989 -1.034 7.244 1.00 0.00 C ATOM 0 H VAL A 65 -1.839 -1.386 5.012 1.00 0.00 H new ATOM 0 HA VAL A 65 1.004 -1.903 4.644 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.486 -2.571 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.637 -3.575 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.971 -4.405 6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.332 -3.273 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.220 -1.165 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.897 -0.763 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.250 -0.241 7.130 1.00 0.00 H new ATOM 948 N LEU A 66 0.070 -3.904 3.491 1.00 0.00 N ATOM 949 CA LEU A 66 -0.352 -5.155 2.870 1.00 0.00 C ATOM 950 C LEU A 66 0.357 -6.346 3.507 1.00 0.00 C ATOM 951 O LEU A 66 1.517 -6.250 3.909 1.00 0.00 O ATOM 952 CB LEU A 66 -0.069 -5.122 1.367 1.00 0.00 C ATOM 953 CG LEU A 66 -1.028 -4.284 0.521 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.380 -2.967 0.126 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.464 -5.058 -0.715 1.00 0.00 C ATOM 0 H LEU A 66 0.771 -3.386 2.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.424 -5.267 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.942 -4.743 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.085 -6.145 0.992 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.913 -4.065 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.078 -2.384 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.119 -2.406 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.522 -3.165 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.146 -4.446 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.589 -5.308 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.969 -5.975 -0.411 1.00 0.00 H new ATOM 967 N LYS A 67 -0.347 -7.469 3.594 1.00 0.00 N ATOM 968 CA LYS A 67 0.214 -8.682 4.178 1.00 0.00 C ATOM 969 C LYS A 67 -0.706 -9.875 3.944 1.00 0.00 C ATOM 970 O LYS A 67 -1.909 -9.712 3.743 1.00 0.00 O ATOM 971 CB LYS A 67 0.446 -8.489 5.679 1.00 0.00 C ATOM 972 CG LYS A 67 -0.803 -8.080 6.440 1.00 0.00 C ATOM 973 CD LYS A 67 -0.592 -6.783 7.202 1.00 0.00 C ATOM 974 CE LYS A 67 -0.061 -7.040 8.604 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.596 -6.060 9.588 1.00 0.00 N ATOM 0 H LYS A 67 -1.308 -7.565 3.267 1.00 0.00 H new ATOM 0 HA LYS A 67 1.169 -8.882 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.831 -9.418 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.215 -7.730 5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.633 -7.963 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.081 -8.871 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.108 -6.150 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.534 -6.238 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.329 -8.050 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.028 -6.988 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.210 -6.269 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.319 -5.098 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.633 -6.127 9.616 1.00 0.00 H new ATOM 989 N GLN A 68 -0.132 -11.074 3.974 1.00 0.00 N ATOM 990 CA GLN A 68 -0.902 -12.294 3.766 1.00 0.00 C ATOM 991 C GLN A 68 -1.348 -12.890 5.097 1.00 0.00 C ATOM 992 O GLN A 68 -0.522 -13.303 5.911 1.00 0.00 O ATOM 993 CB GLN A 68 -0.075 -13.318 2.986 1.00 0.00 C ATOM 994 CG GLN A 68 0.219 -12.899 1.555 1.00 0.00 C ATOM 995 CD GLN A 68 0.948 -13.973 0.771 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.065 -14.359 1.116 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.318 -14.462 -0.291 1.00 0.00 N ATOM 0 H GLN A 68 0.863 -11.226 4.140 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.790 -12.039 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.867 -13.485 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.606 -14.270 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.717 -12.659 1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.819 -11.989 1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.607 -14.113 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.759 -15.187 -0.857 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.659 -12.932 5.312 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.214 -13.477 6.546 1.00 0.00 C ATOM 1008 C ASN A 69 -2.650 -14.866 6.829 1.00 0.00 C ATOM 1009 O ASN A 69 -2.115 -15.538 5.947 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.740 -13.542 6.457 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.217 -14.241 5.198 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.731 -15.316 4.850 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.173 -13.629 4.509 1.00 0.00 N ATOM 0 H ASN A 69 -3.357 -12.595 4.648 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.932 -12.816 7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.130 -14.066 7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.146 -12.531 6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.534 -14.050 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.546 -12.738 4.836 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.772 -15.308 8.089 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.282 -16.622 8.518 1.00 0.00 C ATOM 1022 C PRO A 70 -2.783 -17.749 7.622 1.00 0.00 C ATOM 1023 O PRO A 70 -2.165 -18.810 7.540 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.852 -16.769 9.931 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.040 -15.371 10.412 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.399 -14.561 9.192 1.00 0.00 C ATOM 0 HA PRO A 70 -1.195 -16.686 8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.795 -17.315 9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.170 -17.322 10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.829 -15.318 11.162 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.131 -14.993 10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.479 -14.486 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.014 -13.543 9.258 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.905 -17.510 6.950 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.488 -18.507 6.060 1.00 0.00 C ATOM 1036 C GLU A 71 -3.642 -18.672 4.800 1.00 0.00 C ATOM 1037 O GLU A 71 -3.557 -19.761 4.235 1.00 0.00 O ATOM 1038 CB GLU A 71 -5.916 -18.111 5.680 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.752 -17.642 6.860 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.236 -17.871 6.651 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.809 -17.250 5.731 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.825 -18.670 7.408 1.00 0.00 O ATOM 0 H GLU A 71 -4.428 -16.636 7.005 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.511 -19.460 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.878 -17.317 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.408 -18.964 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.430 -18.167 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.572 -16.580 7.029 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.019 -17.581 4.366 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.189 -17.625 3.176 1.00 0.00 C ATOM 1051 C GLY A 72 -2.753 -16.788 2.045 1.00 0.00 C ATOM 1052 O GLY A 72 -2.381 -16.970 0.886 1.00 0.00 O ATOM 0 H GLY A 72 -3.074 -16.668 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.188 -17.271 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.089 -18.658 2.844 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.655 -15.872 2.381 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.273 -15.007 1.383 1.00 0.00 C ATOM 1058 C GLN A 73 -3.972 -13.540 1.673 1.00 0.00 C ATOM 1059 O GLN A 73 -4.084 -13.087 2.812 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.786 -15.232 1.348 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.561 -14.066 0.756 1.00 0.00 C ATOM 1062 CD GLN A 73 -7.722 -14.517 -0.109 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -8.585 -15.274 0.336 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -7.749 -14.052 -1.352 1.00 0.00 N ATOM 0 H GLN A 73 -3.974 -15.710 3.336 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.853 -15.260 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.998 -16.130 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.141 -15.416 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.937 -13.437 1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.886 -13.451 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.012 -13.427 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.506 -14.320 -1.980 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.590 -12.804 0.636 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.272 -11.388 0.780 1.00 0.00 C ATOM 1075 C TRP A 74 -4.450 -10.623 1.373 1.00 0.00 C ATOM 1076 O TRP A 74 -5.609 -10.962 1.131 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.890 -10.789 -0.575 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.459 -11.033 -0.950 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.997 -11.896 -1.902 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.305 -10.407 -0.378 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.375 -11.844 -1.957 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.824 -10.938 -1.033 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.116 -9.449 0.621 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.121 -10.542 -0.717 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.172 -9.057 0.933 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.277 -9.603 0.265 1.00 0.00 C ATOM 0 H TRP A 74 -3.493 -13.164 -0.313 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.425 -11.299 1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.537 -11.209 -1.345 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.075 -9.715 -0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.618 -12.527 -2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.964 -12.392 -2.584 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.961 -9.022 1.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.974 -10.962 -1.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.330 -8.318 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.271 -9.276 0.531 1.00 0.00 H new ATOM 1097 N THR A 75 -4.147 -9.589 2.151 1.00 0.00 N ATOM 1098 CA THR A 75 -5.182 -8.777 2.780 1.00 0.00 C ATOM 1099 C THR A 75 -4.688 -7.357 3.032 1.00 0.00 C ATOM 1100 O THR A 75 -3.647 -7.153 3.656 1.00 0.00 O ATOM 1101 CB THR A 75 -5.645 -9.391 4.114 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.533 -9.984 4.793 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.722 -10.441 3.881 1.00 0.00 C ATOM 0 H THR A 75 -3.193 -9.294 2.361 1.00 0.00 H new ATOM 0 HA THR A 75 -6.025 -8.749 2.090 1.00 0.00 H new ATOM 0 HB THR A 75 -6.063 -8.594 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.697 -9.666 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.034 -10.861 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.579 -9.980 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.325 -11.235 3.248 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.442 -6.378 2.543 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.082 -4.976 2.718 1.00 0.00 C ATOM 1113 C ILE A 76 -5.574 -4.445 4.060 1.00 0.00 C ATOM 1114 O ILE A 76 -6.724 -4.664 4.441 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.658 -4.102 1.589 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.136 -2.668 1.708 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -7.179 -4.122 1.627 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.999 -1.963 0.377 1.00 0.00 C ATOM 0 H ILE A 76 -6.306 -6.530 2.023 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.994 -4.923 2.687 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.332 -4.510 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.810 -2.096 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.165 -2.683 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.571 -3.500 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.533 -5.145 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.524 -3.736 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.624 -0.952 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.302 -2.512 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.972 -1.916 -0.112 1.00 0.00 H new ATOM 1130 N MET A 77 -4.697 -3.744 4.771 1.00 0.00 N ATOM 1131 CA MET A 77 -5.044 -3.178 6.069 1.00 0.00 C ATOM 1132 C MET A 77 -4.576 -1.730 6.174 1.00 0.00 C ATOM 1133 O MET A 77 -3.500 -1.380 5.690 1.00 0.00 O ATOM 1134 CB MET A 77 -4.425 -4.010 7.194 1.00 0.00 C ATOM 1135 CG MET A 77 -4.927 -3.631 8.578 1.00 0.00 C ATOM 1136 SD MET A 77 -3.642 -3.741 9.837 1.00 0.00 S ATOM 1137 CE MET A 77 -2.662 -2.293 9.449 1.00 0.00 C ATOM 0 H MET A 77 -3.741 -3.554 4.470 1.00 0.00 H new ATOM 0 HA MET A 77 -6.129 -3.198 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.639 -5.064 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.341 -3.895 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.319 -2.614 8.552 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.755 -4.285 8.852 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.632 -2.592 9.256 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.070 -1.804 8.564 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.688 -1.600 10.290 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.391 -0.894 6.808 1.00 0.00 N ATOM 1148 CA ASP A 78 -5.059 0.516 6.977 1.00 0.00 C ATOM 1149 C ASP A 78 -4.537 0.786 8.384 1.00 0.00 C ATOM 1150 O ASP A 78 -5.236 0.558 9.370 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.285 1.387 6.698 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.060 2.839 7.070 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.888 3.269 7.103 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.056 3.547 7.327 1.00 0.00 O ATOM 0 H ASP A 78 -6.286 -1.168 7.213 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.274 0.768 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.541 1.321 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.137 1.000 7.257 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.303 1.274 8.468 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.687 1.574 9.756 1.00 0.00 C ATOM 1161 C ASN A 79 -3.204 2.897 10.311 1.00 0.00 C ATOM 1162 O ASN A 79 -2.433 3.828 10.546 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.164 1.627 9.615 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.451 1.277 10.907 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.979 1.494 11.998 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.754 0.733 10.789 1.00 0.00 N ATOM 0 H ASN A 79 -2.711 1.470 7.661 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.954 0.780 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.850 0.937 8.832 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.866 2.626 9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.282 0.477 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.152 0.571 9.864 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.514 2.974 10.519 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.136 4.181 11.049 1.00 0.00 C ATOM 1175 C LYS A 80 -4.724 5.406 10.238 1.00 0.00 C ATOM 1176 O LYS A 80 -3.812 6.138 10.622 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.751 4.376 12.518 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.698 3.693 13.490 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.745 4.419 14.824 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.468 4.204 15.621 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.636 4.583 17.051 1.00 0.00 N ATOM 0 H LYS A 80 -5.166 2.213 10.328 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.217 4.065 10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.743 3.992 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.724 5.443 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.699 3.656 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.380 2.662 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.894 5.485 14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.599 4.066 15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.171 3.157 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.662 4.792 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.744 4.422 17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.895 5.588 17.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.387 4.004 17.478 1.00 0.00 H new ATOM 1195 N SER A 81 -5.403 5.623 9.117 1.00 0.00 N ATOM 1196 CA SER A 81 -5.106 6.758 8.251 1.00 0.00 C ATOM 1197 C SER A 81 -6.091 7.898 8.491 1.00 0.00 C ATOM 1198 O SER A 81 -7.062 7.748 9.235 1.00 0.00 O ATOM 1199 CB SER A 81 -5.151 6.332 6.782 1.00 0.00 C ATOM 1200 OG SER A 81 -6.458 5.935 6.406 1.00 0.00 O ATOM 0 H SER A 81 -6.163 5.028 8.787 1.00 0.00 H new ATOM 0 HA SER A 81 -4.103 7.111 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.823 7.157 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.456 5.509 6.617 1.00 0.00 H new ATOM 0 HG SER A 81 -6.780 5.243 7.021 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.835 9.036 7.857 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.699 10.203 8.001 1.00 0.00 C ATOM 1208 C LEU A 82 -7.693 10.290 6.848 1.00 0.00 C ATOM 1209 O LEU A 82 -8.904 10.209 7.052 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.858 11.480 8.062 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.637 12.794 8.132 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.897 13.185 9.578 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.884 13.899 7.406 1.00 0.00 C ATOM 0 H LEU A 82 -5.036 9.176 7.238 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.258 10.098 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.206 11.420 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.214 11.509 7.183 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.598 12.651 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.452 14.122 9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.478 12.403 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.947 13.310 10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.453 14.827 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.908 14.041 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.751 13.622 6.360 1.00 0.00 H new ATOM 1225 N ASN A 83 -7.173 10.454 5.636 1.00 0.00 N ATOM 1226 CA ASN A 83 -8.015 10.551 4.449 1.00 0.00 C ATOM 1227 C ASN A 83 -8.887 9.308 4.299 1.00 0.00 C ATOM 1228 O ASN A 83 -10.079 9.404 4.008 1.00 0.00 O ATOM 1229 CB ASN A 83 -7.152 10.736 3.199 1.00 0.00 C ATOM 1230 CG ASN A 83 -6.655 12.161 3.047 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -7.280 12.980 2.373 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.523 12.462 3.673 1.00 0.00 N ATOM 0 H ASN A 83 -6.172 10.523 5.450 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.665 11.418 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.299 10.059 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.730 10.459 2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.138 13.404 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.039 11.751 4.221 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.284 8.140 4.500 1.00 0.00 N ATOM 1240 CA GLY A 84 -9.020 6.895 4.383 1.00 0.00 C ATOM 1241 C GLY A 84 -8.582 6.073 3.187 1.00 0.00 C ATOM 1242 O GLY A 84 -8.189 6.622 2.158 1.00 0.00 O ATOM 0 H GLY A 84 -7.299 8.034 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.884 6.309 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.085 7.112 4.300 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.649 4.752 3.322 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.256 3.853 2.244 1.00 0.00 C ATOM 1248 C VAL A 85 -9.466 3.412 1.428 1.00 0.00 C ATOM 1249 O VAL A 85 -10.563 3.251 1.963 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.536 2.605 2.788 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -7.081 1.710 1.646 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.357 3.010 3.661 1.00 0.00 C ATOM 0 H VAL A 85 -8.972 4.281 4.167 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.571 4.408 1.603 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.238 2.040 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.574 0.834 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.947 1.393 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.395 2.261 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.859 2.116 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.653 3.597 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.714 3.607 4.500 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.258 3.217 0.131 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.333 2.793 -0.760 1.00 0.00 C ATOM 1264 C TRP A 86 -9.962 1.504 -1.486 1.00 0.00 C ATOM 1265 O TRP A 86 -8.810 1.309 -1.876 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.644 3.894 -1.777 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.917 5.225 -1.145 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.007 6.208 -0.879 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.186 5.718 -0.700 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.634 7.282 -0.294 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -11.970 7.007 -0.175 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.482 5.197 -0.696 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.004 7.779 0.349 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.507 5.965 -0.176 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.263 7.245 0.340 1.00 0.00 C ATOM 0 H TRP A 86 -8.356 3.345 -0.327 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.220 2.605 -0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.804 3.992 -2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.509 3.597 -2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.951 6.150 -1.096 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.178 8.144 0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.680 4.212 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.818 8.765 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.513 5.572 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.085 7.821 0.738 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.944 0.627 -1.663 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.721 -0.644 -2.343 1.00 0.00 C ATOM 1288 C LEU A 87 -11.941 -1.043 -3.166 1.00 0.00 C ATOM 1289 O LEU A 87 -12.958 -1.468 -2.620 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.398 -1.739 -1.325 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.173 -3.140 -1.894 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -8.847 -3.208 -2.636 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.219 -4.181 -0.785 1.00 0.00 C ATOM 0 H LEU A 87 -11.902 0.773 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.874 -0.523 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.504 -1.444 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.214 -1.788 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.974 -3.356 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.704 -4.213 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.852 -2.490 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.034 -2.970 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.057 -5.172 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.440 -3.968 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.193 -4.150 -0.297 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.831 -0.905 -4.483 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.925 -1.253 -5.383 1.00 0.00 C ATOM 1307 C ASN A 88 -14.178 -0.447 -5.052 1.00 0.00 C ATOM 1308 O ASN A 88 -15.259 -1.008 -4.873 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.229 -2.750 -5.294 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.286 -3.583 -6.140 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.696 -3.089 -7.101 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.140 -4.854 -5.786 1.00 0.00 N ATOM 0 H ASN A 88 -10.995 -0.555 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.617 -1.012 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.160 -3.071 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.255 -2.929 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.519 -5.463 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.649 -5.221 -4.982 1.00 0.00 H new ATOM 1319 N ARG A 89 -14.024 0.870 -4.974 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.142 1.753 -4.665 1.00 0.00 C ATOM 1321 C ARG A 89 -15.735 1.421 -3.298 1.00 0.00 C ATOM 1322 O ARG A 89 -16.952 1.339 -3.142 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.222 1.640 -5.742 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.717 1.936 -7.145 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.855 3.411 -7.486 1.00 0.00 C ATOM 1326 NE ARG A 89 -16.933 3.653 -8.443 1.00 0.00 N ATOM 1327 CZ ARG A 89 -16.882 3.279 -9.717 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -15.813 2.650 -10.184 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -17.903 3.534 -10.525 1.00 0.00 N ATOM 0 H ARG A 89 -13.136 1.350 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.768 2.777 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.641 0.634 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.033 2.328 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.672 1.639 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.275 1.340 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.045 3.978 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.915 3.777 -7.899 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.770 4.135 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.027 2.452 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.776 2.364 -11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.727 4.017 -10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.864 3.247 -11.503 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.864 1.231 -2.312 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.301 0.910 -0.959 1.00 0.00 C ATOM 1345 C ALA A 90 -14.251 1.319 0.069 1.00 0.00 C ATOM 1346 O ALA A 90 -13.119 0.836 0.039 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.607 -0.575 -0.842 1.00 0.00 C ATOM 0 H ALA A 90 -13.852 1.294 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.211 1.474 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.932 -0.801 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.398 -0.840 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.710 -1.150 -1.072 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.634 2.212 0.976 1.00 0.00 N ATOM 1354 CA ARG A 91 -13.724 2.687 2.011 1.00 0.00 C ATOM 1355 C ARG A 91 -13.403 1.575 3.005 1.00 0.00 C ATOM 1356 O ARG A 91 -14.285 0.816 3.410 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.334 3.882 2.747 1.00 0.00 C ATOM 1358 CG ARG A 91 -13.339 4.636 3.614 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.660 6.121 3.667 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.322 6.494 4.915 1.00 0.00 N ATOM 1361 CZ ARG A 91 -13.697 6.567 6.084 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -12.401 6.296 6.166 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -14.367 6.914 7.176 1.00 0.00 N ATOM 0 H ARG A 91 -15.568 2.621 1.015 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.797 2.999 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.760 4.569 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.156 3.532 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.349 4.224 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.332 4.494 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.740 6.695 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.300 6.384 2.825 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.318 6.710 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.882 6.031 5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.924 6.353 7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.363 7.125 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.886 6.970 8.074 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.136 1.483 3.393 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.698 0.462 4.339 1.00 0.00 C ATOM 1379 C LEU A 92 -11.529 1.052 5.736 1.00 0.00 C ATOM 1380 O LEU A 92 -10.980 2.141 5.898 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.380 -0.160 3.874 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.298 -0.528 2.392 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -8.877 -0.916 2.016 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.265 -1.658 2.068 1.00 0.00 C ATOM 0 H LEU A 92 -11.394 2.103 3.068 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.464 -0.313 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.573 0.537 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.199 -1.060 4.462 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.582 0.345 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.838 -1.175 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.208 -0.078 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.565 -1.774 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.193 -1.906 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.013 -2.535 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.283 -1.343 2.298 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.004 0.323 6.741 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.904 0.773 8.124 1.00 0.00 C ATOM 1398 C GLU A 93 -10.477 0.623 8.644 1.00 0.00 C ATOM 1399 O GLU A 93 -9.668 -0.128 8.100 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.868 -0.016 9.012 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.247 0.613 9.123 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.271 -0.328 9.728 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.692 -1.273 9.029 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.650 -0.120 10.899 1.00 0.00 O ATOM 0 H GLU A 93 -12.461 -0.581 6.623 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.174 1.828 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.970 -1.026 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.438 -0.107 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.183 1.514 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.583 0.921 8.133 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.161 1.354 9.723 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.832 1.319 10.341 1.00 0.00 C ATOM 1413 C PRO A 94 -8.550 -0.009 11.036 1.00 0.00 C ATOM 1414 O PRO A 94 -9.381 -0.514 11.792 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.886 2.457 11.363 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.332 2.607 11.686 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.076 2.270 10.424 1.00 0.00 C ATOM 0 HA PRO A 94 -8.037 1.428 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.304 2.218 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.475 3.379 10.951 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.621 1.941 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.556 3.623 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.034 1.796 10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.286 3.160 9.831 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.374 -0.569 10.777 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.982 -1.839 11.379 1.00 0.00 C ATOM 1427 C LEU A 95 -7.983 -2.937 11.034 1.00 0.00 C ATOM 1428 O LEU A 95 -8.336 -3.758 11.881 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.872 -1.693 12.898 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.268 -0.383 13.404 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.142 -0.404 14.920 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.913 -0.135 12.758 1.00 0.00 C ATOM 0 H LEU A 95 -6.675 -0.164 10.154 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.009 -2.120 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.869 -1.800 13.326 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.271 -2.518 13.280 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.935 0.433 13.126 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.710 0.536 15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.128 -0.534 15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.497 -1.230 15.220 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.498 0.802 13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.237 -0.954 13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.031 -0.075 11.676 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.435 -2.947 9.784 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.394 -3.945 9.326 1.00 0.00 C ATOM 1446 C ARG A 96 -8.767 -4.862 8.280 1.00 0.00 C ATOM 1447 O ARG A 96 -7.719 -4.550 7.714 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.633 -3.263 8.744 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.901 -4.092 8.870 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.955 -3.375 9.699 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.703 -4.297 10.550 1.00 0.00 N ATOM 1452 CZ ARG A 96 -13.254 -4.749 11.716 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -12.067 -4.365 12.167 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -13.992 -5.585 12.433 1.00 0.00 N ATOM 0 H ARG A 96 -8.152 -2.275 9.070 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.689 -4.549 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.782 -2.308 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.456 -3.044 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.299 -4.303 7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.665 -5.052 9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.475 -2.618 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.645 -2.853 9.036 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.620 -4.611 10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.497 -3.721 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.725 -4.713 13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.905 -5.882 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.646 -5.931 13.328 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.415 -5.995 8.029 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.922 -6.958 7.052 1.00 0.00 C ATOM 1470 C VAL A 97 -9.827 -7.010 5.827 1.00 0.00 C ATOM 1471 O VAL A 97 -11.045 -7.145 5.947 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.815 -8.369 7.658 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.127 -9.317 6.688 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.075 -8.323 8.987 1.00 0.00 C ATOM 0 H VAL A 97 -10.283 -6.268 8.489 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.929 -6.624 6.753 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.822 -8.744 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.061 -10.309 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.702 -9.372 5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.124 -8.950 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.008 -9.329 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.071 -7.928 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.615 -7.679 9.682 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.225 -6.904 4.648 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.978 -6.937 3.399 1.00 0.00 C ATOM 1486 C TYR A 98 -9.239 -7.748 2.339 1.00 0.00 C ATOM 1487 O TYR A 98 -8.192 -7.333 1.842 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.224 -5.516 2.890 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.205 -4.732 3.732 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.571 -4.973 3.646 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.767 -3.751 4.612 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.472 -4.260 4.413 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.661 -3.033 5.384 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.012 -3.291 5.281 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.905 -2.578 6.047 1.00 0.00 O ATOM 0 H TYR A 98 -8.218 -6.794 4.530 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.937 -7.417 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.275 -4.981 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.595 -5.565 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.934 -5.731 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.710 -3.546 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.530 -4.460 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.304 -2.274 6.064 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.477 -2.315 6.889 1.00 0.00 H new ATOM 1505 N SER A 99 -9.792 -8.907 1.998 1.00 0.00 N ATOM 1506 CA SER A 99 -9.185 -9.780 0.999 1.00 0.00 C ATOM 1507 C SER A 99 -9.181 -9.114 -0.373 1.00 0.00 C ATOM 1508 O SER A 99 -10.225 -8.697 -0.876 1.00 0.00 O ATOM 1509 CB SER A 99 -9.936 -11.111 0.931 1.00 0.00 C ATOM 1510 OG SER A 99 -11.243 -10.988 1.466 1.00 0.00 O ATOM 0 H SER A 99 -10.660 -9.264 2.398 1.00 0.00 H new ATOM 0 HA SER A 99 -8.153 -9.968 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.994 -11.447 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.384 -11.872 1.483 1.00 0.00 H new ATOM 0 HG SER A 99 -11.702 -11.852 1.409 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.000 -9.018 -0.973 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.859 -8.404 -2.288 1.00 0.00 C ATOM 1518 C ILE A 100 -7.659 -9.460 -3.369 1.00 0.00 C ATOM 1519 O ILE A 100 -7.001 -10.477 -3.146 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.677 -7.417 -2.325 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.357 -8.161 -2.111 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.858 -6.334 -1.272 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.141 -7.262 -2.164 1.00 0.00 C ATOM 0 H ILE A 100 -7.127 -9.357 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.783 -7.859 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.650 -6.942 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.385 -8.664 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.259 -8.936 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.015 -5.644 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.782 -5.789 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.907 -6.792 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.242 -7.857 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.088 -6.779 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.216 -6.502 -1.386 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.229 -9.212 -4.544 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.112 -10.141 -5.663 1.00 0.00 C ATOM 1537 C HIS A 101 -7.687 -9.410 -6.933 1.00 0.00 C ATOM 1538 O HIS A 101 -7.712 -8.181 -6.990 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.439 -10.863 -5.895 1.00 0.00 C ATOM 1540 CG HIS A 101 -10.059 -11.395 -4.640 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.329 -11.998 -3.637 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -11.348 -11.412 -4.227 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -10.142 -12.364 -2.662 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -11.373 -12.019 -2.995 1.00 0.00 N ATOM 0 H HIS A 101 -8.777 -8.376 -4.746 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.347 -10.876 -5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.138 -10.177 -6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.278 -11.688 -6.589 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -8.319 -12.139 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.198 -11.021 -4.766 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.850 -12.861 -1.748 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.299 -10.175 -7.948 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.868 -9.600 -9.217 1.00 0.00 C ATOM 1554 C GLN A 102 -7.920 -8.641 -9.765 1.00 0.00 C ATOM 1555 O GLN A 102 -9.065 -9.027 -9.994 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.589 -10.707 -10.235 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.326 -10.189 -11.639 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.260 -10.986 -12.365 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.105 -10.368 -12.585 1.00 0.00 O flip ATOM 1560 NE2 GLN A 102 -5.471 -12.145 -12.724 1.00 0.00 N flip ATOM 0 H GLN A 102 -7.274 -11.194 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.950 -9.040 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.727 -11.286 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.440 -11.388 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.252 -10.221 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.020 -9.144 -11.585 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.373 -12.581 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.743 -12.669 -13.211 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.522 -7.390 -9.973 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.443 -6.396 -10.492 1.00 0.00 C ATOM 1571 C GLY A 103 -8.974 -5.476 -9.411 1.00 0.00 C ATOM 1572 O GLY A 103 -10.025 -4.856 -9.575 1.00 0.00 O ATOM 0 H GLY A 103 -6.579 -7.047 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.940 -5.802 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.278 -6.899 -10.979 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.248 -5.388 -8.302 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.653 -4.538 -7.188 1.00 0.00 C ATOM 1578 C ASP A 104 -8.008 -3.159 -7.295 1.00 0.00 C ATOM 1579 O ASP A 104 -6.799 -3.042 -7.494 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.274 -5.190 -5.858 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.389 -6.048 -5.295 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.024 -6.784 -6.079 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.628 -5.984 -4.071 1.00 0.00 O ATOM 0 H ASP A 104 -7.376 -5.895 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.736 -4.417 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.383 -5.803 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.017 -4.414 -5.137 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.824 -2.119 -7.164 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.334 -0.749 -7.249 1.00 0.00 C ATOM 1590 C TYR A 105 -8.136 -0.153 -5.858 1.00 0.00 C ATOM 1591 O TYR A 105 -9.095 0.031 -5.108 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.310 0.114 -8.051 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.849 0.396 -9.464 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.689 -0.635 -10.382 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.572 1.692 -9.880 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.267 -0.383 -11.673 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.151 1.954 -11.169 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.000 0.913 -12.062 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.580 1.169 -13.347 1.00 0.00 O ATOM 0 H TYR A 105 -9.827 -2.199 -6.999 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.370 -0.766 -7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.278 -0.385 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.458 1.060 -7.530 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.898 -1.651 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.688 2.509 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.147 -1.196 -12.374 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.941 2.968 -11.476 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.665 2.127 -13.534 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.886 0.147 -5.523 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.562 0.723 -4.224 1.00 0.00 C ATOM 1611 C ILE A 106 -6.208 2.201 -4.351 1.00 0.00 C ATOM 1612 O ILE A 106 -5.282 2.567 -5.074 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.388 -0.018 -3.557 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.717 -1.505 -3.403 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -5.070 0.602 -2.205 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -5.249 -2.350 -4.567 1.00 0.00 C ATOM 0 H ILE A 106 -6.081 0.001 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.450 0.616 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.509 0.077 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.259 -1.877 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.795 -1.621 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.238 0.067 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.798 1.649 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.945 0.535 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.515 -3.392 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.727 -2.004 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.167 -2.264 -4.667 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.952 3.044 -3.643 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.716 4.483 -3.676 1.00 0.00 C ATOM 1630 C GLN A 107 -6.088 4.962 -2.371 1.00 0.00 C ATOM 1631 O GLN A 107 -6.622 4.719 -1.287 1.00 0.00 O ATOM 1632 CB GLN A 107 -8.026 5.230 -3.929 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.842 6.552 -4.658 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.130 7.344 -4.765 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.739 7.420 -5.832 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.552 7.940 -3.655 1.00 0.00 N ATOM 0 H GLN A 107 -7.723 2.756 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.023 4.693 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.691 4.593 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.518 5.416 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.095 7.150 -4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.454 6.360 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.015 7.850 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.413 8.487 -3.666 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.953 5.642 -2.482 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.251 6.155 -1.310 1.00 0.00 C ATOM 1647 C LEU A 108 -4.612 7.615 -1.055 1.00 0.00 C ATOM 1648 O LEU A 108 -3.805 8.514 -1.286 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.739 6.017 -1.495 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.201 4.588 -1.583 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.682 4.593 -1.643 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.688 3.762 -0.401 1.00 0.00 C ATOM 0 H LEU A 108 -4.499 5.851 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.560 5.567 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.454 6.548 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.244 6.520 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.578 4.133 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.317 3.568 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.354 5.149 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.284 5.066 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.296 2.748 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.340 4.215 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.778 3.731 -0.403 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.831 7.843 -0.575 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.277 9.195 -0.295 1.00 0.00 C ATOM 1666 C GLY A 109 -7.595 9.523 -0.969 1.00 0.00 C ATOM 1667 O GLY A 109 -8.408 8.634 -1.225 1.00 0.00 O ATOM 0 H GLY A 109 -6.517 7.115 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.382 9.324 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.517 9.901 -0.628 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.808 10.803 -1.257 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.037 11.246 -1.905 1.00 0.00 C ATOM 1673 C VAL A 110 -8.756 12.348 -2.921 1.00 0.00 C ATOM 1674 O VAL A 110 -7.756 13.061 -2.839 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.060 11.761 -0.876 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.742 10.598 -0.173 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.386 12.682 0.130 1.00 0.00 C ATOM 0 H VAL A 110 -7.146 11.551 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.454 10.380 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.823 12.333 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.461 10.982 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.260 9.982 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.994 9.996 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.124 13.037 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.601 12.136 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.950 13.534 -0.392 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.658 12.491 -3.903 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.529 13.505 -4.954 1.00 0.00 C ATOM 1689 C PRO A 111 -9.736 14.920 -4.424 1.00 0.00 C ATOM 1690 O PRO A 111 -10.714 15.195 -3.727 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.640 13.136 -5.941 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.650 12.410 -5.120 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.873 11.675 -4.063 1.00 0.00 C ATOM 0 HA PRO A 111 -8.532 13.510 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.070 14.024 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.261 12.509 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.360 13.104 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.226 11.717 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.433 11.601 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.636 10.657 -4.373 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.811 15.813 -4.757 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.893 17.200 -4.315 1.00 0.00 C ATOM 1703 C LEU A 112 -10.154 17.870 -4.851 1.00 0.00 C ATOM 1704 O LEU A 112 -10.955 17.242 -5.542 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.656 17.976 -4.772 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.308 17.420 -4.311 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -5.207 17.819 -5.282 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.983 17.904 -2.906 1.00 0.00 C ATOM 0 H LEU A 112 -7.995 15.601 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.936 17.206 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.657 18.014 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.744 19.003 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.372 16.332 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.255 17.415 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.433 17.423 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.143 18.906 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.020 17.498 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.938 18.993 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.758 17.568 -2.217 1.00 0.00 H new ATOM 1800 N ALA A 118 -8.437 10.796 -7.971 1.00 0.00 N ATOM 1801 CA ALA A 118 -7.187 10.748 -7.223 1.00 0.00 C ATOM 1802 C ALA A 118 -5.987 10.674 -8.162 1.00 0.00 C ATOM 1803 O ALA A 118 -6.137 10.409 -9.354 1.00 0.00 O ATOM 1804 CB ALA A 118 -7.187 9.563 -6.269 1.00 0.00 C ATOM 0 HA ALA A 118 -7.105 11.667 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.247 9.540 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -8.017 9.660 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.297 8.639 -6.837 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.798 10.910 -7.616 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.574 10.871 -8.406 1.00 0.00 C ATOM 1812 C GLU A 119 -2.844 9.545 -8.215 1.00 0.00 C ATOM 1813 O GLU A 119 -2.313 8.973 -9.167 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.654 12.032 -8.021 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.277 12.047 -6.550 1.00 0.00 C ATOM 1816 CD GLU A 119 -1.443 13.256 -6.174 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -1.051 14.013 -7.087 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -1.181 13.445 -4.967 1.00 0.00 O ATOM 0 H GLU A 119 -4.657 11.130 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.848 10.967 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.745 11.978 -8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.145 12.972 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.184 12.034 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.723 11.139 -6.312 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.823 9.062 -6.977 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.157 7.805 -6.659 1.00 0.00 C ATOM 1827 C TYR A 120 -3.150 6.647 -6.659 1.00 0.00 C ATOM 1828 O TYR A 120 -4.043 6.582 -5.816 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.467 7.900 -5.297 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.066 8.466 -5.366 1.00 0.00 C ATOM 1831 CD1 TYR A 120 1.011 7.664 -5.724 1.00 0.00 C ATOM 1832 CD2 TYR A 120 0.180 9.801 -5.071 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.292 8.177 -5.787 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.458 10.322 -5.134 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.511 9.506 -5.492 1.00 0.00 C ATOM 1836 OH TYR A 120 3.785 10.021 -5.554 1.00 0.00 O ATOM 0 H TYR A 120 -3.259 9.522 -6.178 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.407 7.616 -7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.070 8.523 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.427 6.907 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.844 6.623 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.641 10.442 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.118 7.540 -6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.632 11.363 -4.904 1.00 0.00 H new ATOM 0 HH TYR A 120 3.743 10.970 -5.795 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.984 5.734 -7.611 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.866 4.577 -7.721 1.00 0.00 C ATOM 1848 C GLU A 121 -3.122 3.381 -8.308 1.00 0.00 C ATOM 1849 O GLU A 121 -2.249 3.536 -9.162 1.00 0.00 O ATOM 1850 CB GLU A 121 -5.079 4.914 -8.591 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.312 5.300 -7.791 1.00 0.00 C ATOM 1852 CD GLU A 121 -7.202 4.112 -7.482 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.721 2.965 -7.596 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.380 4.329 -7.128 1.00 0.00 O ATOM 0 H GLU A 121 -2.248 5.773 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.208 4.315 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.819 5.734 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.317 4.054 -9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.002 5.770 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -6.884 6.043 -8.347 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.475 2.187 -7.843 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.840 0.964 -8.319 1.00 0.00 C ATOM 1863 C TYR A 122 -3.886 -0.064 -8.741 1.00 0.00 C ATOM 1864 O TYR A 122 -5.084 0.214 -8.728 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.940 0.375 -7.231 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.060 1.401 -6.553 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.534 2.157 -5.489 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.246 1.613 -6.977 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.734 3.096 -4.867 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.054 2.548 -6.360 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.559 3.288 -5.305 1.00 0.00 C ATOM 1872 OH TYR A 122 1.360 4.221 -4.688 1.00 0.00 O ATOM 0 H TYR A 122 -4.197 2.041 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.232 1.215 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.563 -0.111 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.310 -0.398 -7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.546 2.008 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.636 1.037 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.120 3.677 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.067 2.699 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 122 2.241 4.231 -5.117 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.421 -1.252 -9.114 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.316 -2.322 -9.540 1.00 0.00 C ATOM 1884 C GLU A 123 -3.719 -3.690 -9.220 1.00 0.00 C ATOM 1885 O GLU A 123 -2.762 -4.127 -9.859 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.598 -2.215 -11.040 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.617 -3.223 -11.541 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.696 -3.270 -13.055 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.647 -2.194 -13.686 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -5.805 -4.384 -13.608 1.00 0.00 O ATOM 0 H GLU A 123 -2.431 -1.498 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.253 -2.216 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.954 -1.209 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.665 -2.351 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.359 -4.213 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.598 -2.973 -11.137 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.291 -4.361 -8.225 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.817 -5.679 -7.820 1.00 0.00 C ATOM 1899 C VAL A 124 -3.728 -6.622 -9.014 1.00 0.00 C ATOM 1900 O VAL A 124 -4.724 -6.885 -9.688 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.739 -6.303 -6.755 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.214 -7.666 -6.328 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.873 -5.375 -5.557 1.00 0.00 C ATOM 0 H VAL A 124 -5.083 -4.013 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.823 -5.541 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.728 -6.441 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.877 -8.092 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.174 -8.328 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.214 -7.556 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.528 -5.831 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.890 -5.204 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.297 -4.424 -5.879 1.00 0.00 H new ATOM 1913 N THR A 125 -2.526 -7.129 -9.272 1.00 0.00 N ATOM 1914 CA THR A 125 -2.305 -8.042 -10.386 1.00 0.00 C ATOM 1915 C THR A 125 -1.183 -9.027 -10.075 1.00 0.00 C ATOM 1916 O THR A 125 -0.338 -8.767 -9.219 1.00 0.00 O ATOM 1917 CB THR A 125 -1.959 -7.279 -11.678 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.871 -8.192 -12.778 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.644 -6.529 -11.529 1.00 0.00 C ATOM 0 H THR A 125 -1.691 -6.922 -8.724 1.00 0.00 H new ATOM 0 HA THR A 125 -3.235 -8.590 -10.535 1.00 0.00 H new ATOM 0 HB THR A 125 -2.752 -6.556 -11.869 1.00 0.00 H new ATOM 0 HG1 THR A 125 -2.587 -8.858 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.421 -5.998 -12.454 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.724 -5.814 -10.710 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.157 -7.237 -11.315 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.182 -10.156 -10.776 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.162 -11.179 -10.574 1.00 0.00 C ATOM 1929 C GLU A 126 0.783 -11.250 -11.769 1.00 0.00 C ATOM 1930 O GLU A 126 0.420 -11.757 -12.830 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.816 -12.543 -10.345 1.00 0.00 C ATOM 1932 CG GLU A 126 0.073 -13.527 -9.603 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.684 -14.750 -9.122 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.858 -14.914 -9.515 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.102 -15.543 -8.353 1.00 0.00 O ATOM 0 H GLU A 126 -1.875 -10.386 -11.488 1.00 0.00 H new ATOM 0 HA GLU A 126 0.418 -10.908 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.739 -12.404 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.092 -12.971 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.886 -13.842 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.528 -13.027 -8.748 1.00 0.00 H new ATOM 1942 N GLU A 127 1.996 -10.736 -11.589 1.00 0.00 N ATOM 1943 CA GLU A 127 2.992 -10.739 -12.654 1.00 0.00 C ATOM 1944 C GLU A 127 4.309 -11.335 -12.164 1.00 0.00 C ATOM 1945 O GLU A 127 4.617 -11.293 -10.973 1.00 0.00 O ATOM 1946 CB GLU A 127 3.223 -9.318 -13.171 1.00 0.00 C ATOM 1947 CG GLU A 127 1.940 -8.541 -13.410 1.00 0.00 C ATOM 1948 CD GLU A 127 1.874 -7.938 -14.800 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.354 -6.799 -14.976 1.00 0.00 O ATOM 1950 OE2 GLU A 127 1.341 -8.605 -15.711 1.00 0.00 O ATOM 0 H GLU A 127 2.312 -10.313 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 127 2.614 -11.356 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.838 -8.775 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.787 -9.367 -14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.086 -9.203 -13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.857 -7.746 -12.669 1.00 0.00 H new ATOM 1957 N ASP A 128 5.082 -11.889 -13.092 1.00 0.00 N ATOM 1958 CA ASP A 128 6.366 -12.493 -12.756 1.00 0.00 C ATOM 1959 C ASP A 128 7.384 -11.424 -12.368 1.00 0.00 C ATOM 1960 O ASP A 128 7.276 -10.270 -12.783 1.00 0.00 O ATOM 1961 CB ASP A 128 6.893 -13.312 -13.935 1.00 0.00 C ATOM 1962 CG ASP A 128 6.035 -14.528 -14.224 1.00 0.00 C ATOM 1963 OD1 ASP A 128 6.174 -15.537 -13.501 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.225 -14.472 -15.173 1.00 0.00 O ATOM 0 H ASP A 128 4.842 -11.932 -14.082 1.00 0.00 H new ATOM 0 HA ASP A 128 6.216 -13.154 -11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.934 -12.681 -14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.913 -13.633 -13.724 1.00 0.00 H new ATOM 1969 N TRP A 129 8.370 -11.817 -11.570 1.00 0.00 N ATOM 1970 CA TRP A 129 9.407 -10.892 -11.125 1.00 0.00 C ATOM 1971 C TRP A 129 10.131 -10.272 -12.316 1.00 0.00 C ATOM 1972 O TRP A 129 10.550 -9.117 -12.264 1.00 0.00 O ATOM 1973 CB TRP A 129 10.409 -11.614 -10.223 1.00 0.00 C ATOM 1974 CG TRP A 129 11.682 -10.849 -10.018 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.892 -11.101 -10.598 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.870 -9.709 -9.172 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.821 -10.186 -10.164 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.219 -9.321 -9.290 1.00 0.00 C ATOM 1979 CE3 TRP A 129 11.030 -8.977 -8.329 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.744 -8.235 -8.594 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.553 -7.899 -7.639 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.899 -7.536 -7.776 1.00 0.00 C ATOM 0 H TRP A 129 8.474 -12.769 -11.218 1.00 0.00 H new ATOM 0 HA TRP A 129 8.928 -10.093 -10.559 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.946 -11.801 -9.254 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.643 -12.586 -10.657 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.090 -11.902 -11.295 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.800 -10.156 -10.447 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.991 -9.248 -8.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.782 -7.954 -8.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.913 -7.327 -6.983 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.277 -6.688 -7.225 1.00 0.00 H new ATOM 1993 N GLU A 130 10.273 -11.048 -13.386 1.00 0.00 N ATOM 1994 CA GLU A 130 10.947 -10.573 -14.588 1.00 0.00 C ATOM 1995 C GLU A 130 10.072 -9.578 -15.346 1.00 0.00 C ATOM 1996 O GLU A 130 10.510 -8.964 -16.319 1.00 0.00 O ATOM 1997 CB GLU A 130 11.305 -11.750 -15.498 1.00 0.00 C ATOM 1998 CG GLU A 130 11.927 -12.923 -14.759 1.00 0.00 C ATOM 1999 CD GLU A 130 13.170 -13.453 -15.447 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.213 -13.428 -16.695 1.00 0.00 O ATOM 2001 OE2 GLU A 130 14.099 -13.893 -14.738 1.00 0.00 O ATOM 0 H GLU A 130 9.931 -12.007 -13.445 1.00 0.00 H new ATOM 0 HA GLU A 130 11.863 -10.067 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.405 -12.090 -16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.998 -11.407 -16.266 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.181 -12.615 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.193 -13.725 -14.674 1.00 0.00 H new ATOM 2008 N THR A 131 8.832 -9.424 -14.892 1.00 0.00 N ATOM 2009 CA THR A 131 7.894 -8.507 -15.526 1.00 0.00 C ATOM 2010 C THR A 131 7.813 -7.190 -14.763 1.00 0.00 C ATOM 2011 O THR A 131 7.613 -6.129 -15.356 1.00 0.00 O ATOM 2012 CB THR A 131 6.485 -9.120 -15.620 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.524 -10.319 -16.403 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.506 -8.135 -16.241 1.00 0.00 C ATOM 0 H THR A 131 8.454 -9.923 -14.087 1.00 0.00 H new ATOM 0 HA THR A 131 8.268 -8.319 -16.533 1.00 0.00 H new ATOM 0 HB THR A 131 6.147 -9.356 -14.611 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.624 -10.704 -16.457 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.517 -8.591 -16.297 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.457 -7.235 -15.628 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.841 -7.872 -17.244 1.00 0.00 H new ATOM 2022 N ILE A 132 7.970 -7.264 -13.445 1.00 0.00 N ATOM 2023 CA ILE A 132 7.915 -6.076 -12.602 1.00 0.00 C ATOM 2024 C ILE A 132 9.315 -5.549 -12.304 1.00 0.00 C ATOM 2025 O ILE A 132 9.482 -4.402 -11.887 1.00 0.00 O ATOM 2026 CB ILE A 132 7.193 -6.363 -11.272 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.847 -7.041 -11.534 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.999 -5.074 -10.487 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.336 -7.842 -10.357 1.00 0.00 C ATOM 0 H ILE A 132 8.136 -8.134 -12.939 1.00 0.00 H new ATOM 0 HA ILE A 132 7.355 -5.322 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 132 7.809 -7.038 -10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.110 -6.281 -11.793 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.943 -7.699 -12.397 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.488 -5.292 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.970 -4.627 -10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.400 -4.377 -11.073 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.378 -8.295 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.053 -8.625 -10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.208 -7.184 -9.497 1.00 0.00 H new ATOM 2041 N TYR A 133 10.317 -6.392 -12.523 1.00 0.00 N ATOM 2042 CA TYR A 133 11.703 -6.012 -12.277 1.00 0.00 C ATOM 2043 C TYR A 133 12.055 -4.727 -13.021 1.00 0.00 C ATOM 2044 O TYR A 133 12.495 -3.739 -12.432 1.00 0.00 O ATOM 2045 CB TYR A 133 12.647 -7.137 -12.706 1.00 0.00 C ATOM 2046 CG TYR A 133 14.010 -6.651 -13.144 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.744 -5.775 -12.353 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.564 -7.068 -14.348 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.989 -5.328 -12.750 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.810 -6.627 -14.751 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.518 -5.757 -13.949 1.00 0.00 C ATOM 2052 OH TYR A 133 17.759 -5.314 -14.347 1.00 0.00 O ATOM 0 H TYR A 133 10.196 -7.343 -12.870 1.00 0.00 H new ATOM 0 HA TYR A 133 11.820 -5.836 -11.208 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.768 -7.834 -11.877 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.188 -7.692 -13.524 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.334 -5.438 -11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.012 -7.748 -14.979 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.546 -4.646 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.227 -6.962 -15.689 1.00 0.00 H new ATOM 0 HH TYR A 133 17.986 -5.711 -15.214 1.00 0.00 H new ATOM 2062 N PRO A 134 11.857 -4.739 -14.348 1.00 0.00 N ATOM 2063 CA PRO A 134 12.146 -3.583 -15.202 1.00 0.00 C ATOM 2064 C PRO A 134 11.488 -2.306 -14.690 1.00 0.00 C ATOM 2065 O PRO A 134 12.128 -1.257 -14.607 1.00 0.00 O ATOM 2066 CB PRO A 134 11.553 -3.985 -16.554 1.00 0.00 C ATOM 2067 CG PRO A 134 11.584 -5.474 -16.554 1.00 0.00 C ATOM 2068 CD PRO A 134 11.336 -5.882 -15.116 1.00 0.00 C ATOM 0 HA PRO A 134 13.212 -3.359 -15.238 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.536 -3.610 -16.667 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.137 -3.577 -17.379 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.820 -5.883 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.545 -5.847 -16.908 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.276 -6.048 -14.922 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.855 -6.807 -14.864 1.00 0.00 H new ATOM 2076 N CYS A 135 10.208 -2.401 -14.348 1.00 0.00 N ATOM 2077 CA CYS A 135 9.463 -1.252 -13.844 1.00 0.00 C ATOM 2078 C CYS A 135 9.092 -1.446 -12.378 1.00 0.00 C ATOM 2079 O CYS A 135 7.913 -1.486 -12.025 1.00 0.00 O ATOM 2080 CB CYS A 135 8.201 -1.032 -14.678 1.00 0.00 C ATOM 2081 SG CYS A 135 8.483 -1.043 -16.464 1.00 0.00 S ATOM 0 H CYS A 135 9.664 -3.262 -14.410 1.00 0.00 H new ATOM 0 HA CYS A 135 10.101 -0.372 -13.925 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.476 -1.807 -14.431 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.755 -0.078 -14.398 1.00 0.00 H new ATOM 0 HG CYS A 135 7.356 -0.851 -17.082 1.00 0.00 H new ATOM 2087 N LEU A 136 10.105 -1.567 -11.527 1.00 0.00 N ATOM 2088 CA LEU A 136 9.886 -1.758 -10.098 1.00 0.00 C ATOM 2089 C LEU A 136 9.709 -0.418 -9.390 1.00 0.00 C ATOM 2090 O LEU A 136 9.967 0.638 -9.967 1.00 0.00 O ATOM 2091 CB LEU A 136 11.057 -2.523 -9.480 1.00 0.00 C ATOM 2092 CG LEU A 136 10.751 -3.939 -8.991 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.968 -4.543 -8.307 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.556 -3.931 -8.049 1.00 0.00 C ATOM 0 H LEU A 136 11.087 -1.536 -11.802 1.00 0.00 H new ATOM 0 HA LEU A 136 8.973 -2.339 -9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.857 -2.580 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.439 -1.945 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 136 10.503 -4.555 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.731 -5.551 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.798 -4.585 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.248 -3.927 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.352 -4.947 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.775 -3.299 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.683 -3.541 -8.572 1.00 0.00 H new ATOM 2106 N SER A 137 9.269 -0.470 -8.137 1.00 0.00 N ATOM 2107 CA SER A 137 9.056 0.739 -7.351 1.00 0.00 C ATOM 2108 C SER A 137 10.267 1.035 -6.471 1.00 0.00 C ATOM 2109 O SER A 137 11.091 0.164 -6.191 1.00 0.00 O ATOM 2110 CB SER A 137 7.804 0.595 -6.483 1.00 0.00 C ATOM 2111 OG SER A 137 8.053 1.018 -5.154 1.00 0.00 O ATOM 0 H SER A 137 9.053 -1.337 -7.644 1.00 0.00 H new ATOM 0 HA SER A 137 8.917 1.571 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.992 1.184 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.476 -0.445 -6.482 1.00 0.00 H new ATOM 0 HG SER A 137 8.102 0.236 -4.565 1.00 0.00 H new ATOM 2117 N PRO A 138 10.378 2.295 -6.023 1.00 0.00 N ATOM 2118 CA PRO A 138 11.484 2.736 -5.168 1.00 0.00 C ATOM 2119 C PRO A 138 11.406 2.141 -3.766 1.00 0.00 C ATOM 2120 O PRO A 138 10.472 2.418 -3.013 1.00 0.00 O ATOM 2121 CB PRO A 138 11.306 4.255 -5.114 1.00 0.00 C ATOM 2122 CG PRO A 138 9.856 4.476 -5.373 1.00 0.00 C ATOM 2123 CD PRO A 138 9.433 3.385 -6.317 1.00 0.00 C ATOM 0 HA PRO A 138 12.452 2.420 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.600 4.654 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.922 4.753 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.283 4.434 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.683 5.459 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.401 3.080 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.499 3.705 -7.357 1.00 0.00 H new ATOM 2131 N LYS A 139 12.393 1.321 -3.420 1.00 0.00 N ATOM 2132 CA LYS A 139 12.438 0.687 -2.108 1.00 0.00 C ATOM 2133 C LYS A 139 13.331 1.474 -1.154 1.00 0.00 C ATOM 2134 O LYS A 139 14.302 2.103 -1.574 1.00 0.00 O ATOM 2135 CB LYS A 139 12.948 -0.751 -2.231 1.00 0.00 C ATOM 2136 CG LYS A 139 11.862 -1.752 -2.586 1.00 0.00 C ATOM 2137 CD LYS A 139 12.411 -3.167 -2.655 1.00 0.00 C ATOM 2138 CE LYS A 139 12.627 -3.750 -1.267 1.00 0.00 C ATOM 2139 NZ LYS A 139 13.018 -5.186 -1.322 1.00 0.00 N ATOM 0 H LYS A 139 13.173 1.080 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 139 11.426 0.674 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.727 -0.788 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.409 -1.046 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.066 -1.705 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.419 -1.485 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.720 -3.799 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.354 -3.166 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 139 13.402 -3.182 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.713 -3.645 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.156 -5.546 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.268 -5.732 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.904 -5.284 -1.857 1.00 0.00 H new ATOM 2153 N SER A 140 12.996 1.434 0.132 1.00 0.00 N ATOM 2154 CA SER A 140 13.766 2.146 1.145 1.00 0.00 C ATOM 2155 C SER A 140 14.230 1.193 2.243 1.00 0.00 C ATOM 2156 O SER A 140 13.444 0.408 2.772 1.00 0.00 O ATOM 2157 CB SER A 140 12.930 3.274 1.752 1.00 0.00 C ATOM 2158 OG SER A 140 13.506 3.742 2.960 1.00 0.00 O ATOM 0 H SER A 140 12.197 0.916 0.497 1.00 0.00 H new ATOM 0 HA SER A 140 14.645 2.574 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.851 4.096 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.917 2.919 1.942 1.00 0.00 H new ATOM 0 HG SER A 140 12.954 4.464 3.328 1.00 0.00 H new