USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 630 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 60 LYS NZ :NH3+ 159:sc= -0.0792 (180deg=-0.607) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.168 K(o=0.089,f=-6.1!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.515 K(o=-0.49,f=-12!) USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.0854 K(o=-0.49,f=-4.4!) USER MOD Set 2.3: A 66 LYS NZ :NH3+ 160:sc= -0.0573 (180deg=-0.631) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= -0.0776 (180deg=-0.61) USER MOD Single : A 31 THR OG1 : rot -30:sc= -0.2 USER MOD Single : A 36 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.18) USER MOD Single : A 40 SER OG : rot 180:sc= -0.428 USER MOD Single : A 41 SER OG : rot 180:sc= -0.193 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 49 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.9) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.019) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.0926 (180deg=-0.754) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.0664 (180deg=-0.671) USER MOD Single : A 61 TYR OH : rot -41:sc= 0.117 USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -0.914 (180deg=-2.98!) USER MOD Single : A 65 ASN : amide:sc= -0.693 K(o=-0.69,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0369 USER MOD Single : A 79 LYS NZ :NH3+ 128:sc= -0.111 (180deg=-0.841) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.745 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -7.981 0.446 14.258 1.00 1.00 N ATOM 110 CA ASP A 7 -7.044 -0.608 13.866 1.00 1.00 C ATOM 111 C ASP A 7 -6.312 -0.201 12.574 1.00 1.00 C ATOM 112 O ASP A 7 -5.348 0.565 12.613 1.00 1.00 O ATOM 113 CB ASP A 7 -7.814 -1.948 13.673 1.00 1.00 C ATOM 114 CG ASP A 7 -9.094 -1.720 12.864 1.00 1.00 C ATOM 115 OD1 ASP A 7 -9.225 -0.658 12.277 1.00 1.00 O ATOM 116 OD2 ASP A 7 -9.924 -2.614 12.844 1.00 1.00 O ATOM 0 HA ASP A 7 -6.300 -0.748 14.650 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -7.177 -2.670 13.161 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.062 -2.375 14.645 1.00 1.00 H new ATOM 121 N GLY A 8 -6.778 -0.722 11.443 1.00 1.00 N ATOM 122 CA GLY A 8 -6.175 -0.423 10.153 1.00 1.00 C ATOM 123 C GLY A 8 -6.898 -1.186 9.056 1.00 1.00 C ATOM 124 O GLY A 8 -8.032 -1.625 9.243 1.00 1.00 O ATOM 0 H GLY A 8 -7.575 -1.356 11.396 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.226 0.648 9.957 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.120 -0.696 10.163 1.00 1.00 H new ATOM 128 N VAL A 9 -6.219 -1.355 7.918 1.00 1.00 N ATOM 129 CA VAL A 9 -6.780 -2.091 6.765 1.00 1.00 C ATOM 130 C VAL A 9 -6.007 -3.396 6.580 1.00 1.00 C ATOM 131 O VAL A 9 -4.785 -3.409 6.552 1.00 1.00 O ATOM 132 CB VAL A 9 -6.687 -1.222 5.489 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.529 0.052 5.679 1.00 1.00 C ATOM 134 CG2 VAL A 9 -5.221 -0.834 5.196 1.00 1.00 C ATOM 0 H VAL A 9 -5.278 -0.994 7.763 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.830 -2.319 6.950 1.00 1.00 H new ATOM 0 HB VAL A 9 -7.067 -1.797 4.645 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.466 0.667 4.781 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.569 -0.222 5.858 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.150 0.615 6.532 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -5.180 -0.223 4.294 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -4.819 -0.268 6.037 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.628 -1.737 5.050 1.00 1.00 H new ATOM 144 N TYR A 10 -6.737 -4.508 6.498 1.00 1.00 N ATOM 145 CA TYR A 10 -6.132 -5.834 6.363 1.00 1.00 C ATOM 146 C TYR A 10 -5.921 -6.152 4.879 1.00 1.00 C ATOM 147 O TYR A 10 -6.820 -5.991 4.057 1.00 1.00 O ATOM 148 CB TYR A 10 -7.083 -6.894 7.001 1.00 1.00 C ATOM 149 CG TYR A 10 -6.980 -6.886 8.541 1.00 1.00 C ATOM 150 CD1 TYR A 10 -7.331 -5.734 9.257 1.00 1.00 C ATOM 151 CD2 TYR A 10 -6.551 -8.027 9.228 1.00 1.00 C ATOM 152 CE1 TYR A 10 -7.251 -5.724 10.653 1.00 1.00 C ATOM 153 CE2 TYR A 10 -6.470 -8.018 10.625 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.820 -6.867 11.339 1.00 1.00 C ATOM 155 OH TYR A 10 -6.739 -6.850 12.716 1.00 1.00 O ATOM 0 H TYR A 10 -7.757 -4.517 6.523 1.00 1.00 H new ATOM 0 HA TYR A 10 -5.168 -5.855 6.872 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -8.111 -6.690 6.702 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.832 -7.885 6.623 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -7.664 -4.852 8.730 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.282 -8.917 8.679 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.522 -4.835 11.203 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -6.137 -8.900 11.152 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.424 -7.721 13.036 1.00 1.00 H new ATOM 165 N VAL A 11 -4.715 -6.623 4.557 1.00 1.00 N ATOM 166 CA VAL A 11 -4.385 -6.986 3.180 1.00 1.00 C ATOM 167 C VAL A 11 -5.045 -8.324 2.894 1.00 1.00 C ATOM 168 O VAL A 11 -4.991 -9.230 3.724 1.00 1.00 O ATOM 169 CB VAL A 11 -2.859 -7.080 2.995 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.518 -7.489 1.541 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.228 -5.714 3.301 1.00 1.00 C ATOM 0 H VAL A 11 -3.957 -6.761 5.226 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.747 -6.227 2.486 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.464 -7.834 3.676 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.436 -7.551 1.425 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.963 -8.460 1.322 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -2.915 -6.744 0.851 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.147 -5.775 3.172 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -2.633 -4.965 2.620 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.455 -5.430 4.329 1.00 1.00 H new ATOM 181 N LEU A 12 -5.695 -8.446 1.731 1.00 1.00 N ATOM 182 CA LEU A 12 -6.389 -9.691 1.369 1.00 1.00 C ATOM 183 C LEU A 12 -5.426 -10.671 0.695 1.00 1.00 C ATOM 184 O LEU A 12 -5.328 -11.829 1.098 1.00 1.00 O ATOM 185 CB LEU A 12 -7.592 -9.349 0.429 1.00 1.00 C ATOM 186 CG LEU A 12 -8.795 -10.316 0.651 1.00 1.00 C ATOM 187 CD1 LEU A 12 -8.342 -11.784 0.423 1.00 1.00 C ATOM 188 CD2 LEU A 12 -9.425 -10.129 2.082 1.00 1.00 C ATOM 0 H LEU A 12 -5.756 -7.708 1.030 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.766 -10.173 2.271 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.913 -8.323 0.608 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.268 -9.405 -0.610 1.00 1.00 H new ATOM 0 HG LEU A 12 -9.572 -10.074 -0.075 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.187 -12.454 0.580 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -7.974 -11.897 -0.597 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -7.547 -12.033 1.126 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -10.261 -10.818 2.204 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -8.671 -10.335 2.841 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -9.780 -9.104 2.192 1.00 1.00 H new ATOM 200 N SER A 13 -4.710 -10.206 -0.333 1.00 1.00 N ATOM 201 CA SER A 13 -3.763 -11.078 -1.046 1.00 1.00 C ATOM 202 C SER A 13 -2.655 -10.265 -1.692 1.00 1.00 C ATOM 203 O SER A 13 -2.855 -9.113 -2.075 1.00 1.00 O ATOM 204 CB SER A 13 -4.503 -11.873 -2.123 1.00 1.00 C ATOM 205 OG SER A 13 -3.590 -12.737 -2.785 1.00 1.00 O ATOM 0 H SER A 13 -4.763 -9.251 -0.687 1.00 1.00 H new ATOM 0 HA SER A 13 -3.317 -11.760 -0.322 1.00 1.00 H new ATOM 0 HB2 SER A 13 -5.308 -12.453 -1.673 1.00 1.00 H new ATOM 0 HB3 SER A 13 -4.963 -11.193 -2.841 1.00 1.00 H new ATOM 0 HG SER A 13 -4.064 -13.248 -3.474 1.00 1.00 H new ATOM 211 N VAL A 14 -1.486 -10.896 -1.816 1.00 1.00 N ATOM 212 CA VAL A 14 -0.304 -10.272 -2.421 1.00 1.00 C ATOM 213 C VAL A 14 -0.017 -10.948 -3.761 1.00 1.00 C ATOM 214 O VAL A 14 0.351 -12.120 -3.812 1.00 1.00 O ATOM 215 CB VAL A 14 0.908 -10.445 -1.479 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.149 -9.725 -2.054 1.00 1.00 C ATOM 217 CG2 VAL A 14 0.567 -9.849 -0.101 1.00 1.00 C ATOM 0 H VAL A 14 -1.330 -11.853 -1.501 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.485 -9.209 -2.579 1.00 1.00 H new ATOM 0 HB VAL A 14 1.132 -11.508 -1.383 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.993 -9.858 -1.377 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.396 -10.147 -3.028 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.935 -8.662 -2.163 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.419 -9.968 0.568 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.337 -8.789 -0.210 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.297 -10.367 0.316 1.00 1.00 H new ATOM 227 N LYS A 15 -0.182 -10.190 -4.842 1.00 1.00 N ATOM 228 CA LYS A 15 0.070 -10.699 -6.191 1.00 1.00 C ATOM 229 C LYS A 15 1.543 -10.516 -6.504 1.00 1.00 C ATOM 230 O LYS A 15 1.934 -9.462 -6.981 1.00 1.00 O ATOM 231 CB LYS A 15 -0.785 -9.921 -7.201 1.00 1.00 C ATOM 232 CG LYS A 15 -2.272 -10.141 -6.890 1.00 1.00 C ATOM 233 CD LYS A 15 -3.138 -9.385 -7.906 1.00 1.00 C ATOM 234 CE LYS A 15 -4.621 -9.625 -7.600 1.00 1.00 C ATOM 235 NZ LYS A 15 -4.930 -9.110 -6.236 1.00 1.00 N ATOM 0 H LYS A 15 -0.490 -9.218 -4.812 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.192 -11.755 -6.253 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -0.546 -8.859 -7.154 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -0.562 -10.253 -8.215 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -2.505 -11.205 -6.922 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -2.496 -9.796 -5.881 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -2.916 -8.319 -7.865 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -2.906 -9.720 -8.917 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -5.243 -9.123 -8.341 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -4.849 -10.689 -7.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -5.835 -8.598 -6.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -4.997 -9.907 -5.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -4.174 -8.466 -5.929 1.00 1.00 H new ATOM 249 N GLU A 16 2.345 -11.554 -6.213 1.00 1.00 N ATOM 250 CA GLU A 16 3.798 -11.536 -6.427 1.00 1.00 C ATOM 251 C GLU A 16 4.186 -10.954 -7.783 1.00 1.00 C ATOM 252 O GLU A 16 3.333 -10.569 -8.569 1.00 1.00 O ATOM 253 CB GLU A 16 4.374 -12.960 -6.272 1.00 1.00 C ATOM 254 CG GLU A 16 3.755 -13.932 -7.304 1.00 1.00 C ATOM 255 CD GLU A 16 2.275 -14.178 -7.008 1.00 1.00 C ATOM 256 OE1 GLU A 16 1.909 -14.170 -5.845 1.00 1.00 O ATOM 257 OE2 GLU A 16 1.518 -14.356 -7.949 1.00 1.00 O ATOM 0 H GLU A 16 2.001 -12.431 -5.822 1.00 1.00 H new ATOM 0 HA GLU A 16 4.226 -10.882 -5.667 1.00 1.00 H new ATOM 0 HB2 GLU A 16 5.456 -12.933 -6.399 1.00 1.00 H new ATOM 0 HB3 GLU A 16 4.180 -13.325 -5.263 1.00 1.00 H new ATOM 0 HG2 GLU A 16 3.865 -13.521 -8.307 1.00 1.00 H new ATOM 0 HG3 GLU A 16 4.295 -14.879 -7.286 1.00 1.00 H new ATOM 264 N ASP A 17 5.486 -10.924 -8.045 1.00 1.00 N ATOM 265 CA ASP A 17 6.014 -10.388 -9.301 1.00 1.00 C ATOM 266 C ASP A 17 5.667 -8.904 -9.416 1.00 1.00 C ATOM 267 O ASP A 17 5.490 -8.386 -10.517 1.00 1.00 O ATOM 268 CB ASP A 17 5.455 -11.163 -10.520 1.00 1.00 C ATOM 269 CG ASP A 17 6.205 -10.773 -11.795 1.00 1.00 C ATOM 270 OD1 ASP A 17 7.423 -10.715 -11.751 1.00 1.00 O ATOM 271 OD2 ASP A 17 5.547 -10.547 -12.797 1.00 1.00 O ATOM 0 H ASP A 17 6.201 -11.266 -7.403 1.00 1.00 H new ATOM 0 HA ASP A 17 7.097 -10.507 -9.296 1.00 1.00 H new ATOM 0 HB2 ASP A 17 5.549 -12.236 -10.350 1.00 1.00 H new ATOM 0 HB3 ASP A 17 4.392 -10.950 -10.637 1.00 1.00 H new ATOM 276 N VAL A 18 5.564 -8.231 -8.254 1.00 1.00 N ATOM 277 CA VAL A 18 5.220 -6.789 -8.188 1.00 1.00 C ATOM 278 C VAL A 18 6.169 -6.049 -7.221 1.00 1.00 C ATOM 279 O VAL A 18 6.732 -6.682 -6.327 1.00 1.00 O ATOM 280 CB VAL A 18 3.759 -6.645 -7.698 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.804 -7.260 -8.739 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.589 -7.335 -6.321 1.00 1.00 C ATOM 0 H VAL A 18 5.714 -8.661 -7.342 1.00 1.00 H new ATOM 0 HA VAL A 18 5.328 -6.348 -9.179 1.00 1.00 H new ATOM 0 HB VAL A 18 3.517 -5.589 -7.581 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.775 -7.158 -8.394 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.920 -6.741 -9.691 1.00 1.00 H new ATOM 0 HG13 VAL A 18 3.040 -8.316 -8.870 1.00 1.00 H new ATOM 0 HG21 VAL A 18 2.558 -7.228 -5.985 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.833 -8.393 -6.412 1.00 1.00 H new ATOM 0 HG23 VAL A 18 4.257 -6.870 -5.596 1.00 1.00 H new ATOM 292 N PRO A 19 6.351 -4.731 -7.344 1.00 1.00 N ATOM 293 CA PRO A 19 7.245 -3.976 -6.401 1.00 1.00 C ATOM 294 C PRO A 19 6.947 -4.281 -4.919 1.00 1.00 C ATOM 295 O PRO A 19 7.859 -4.357 -4.098 1.00 1.00 O ATOM 296 CB PRO A 19 6.943 -2.491 -6.721 1.00 1.00 C ATOM 297 CG PRO A 19 6.487 -2.477 -8.149 1.00 1.00 C ATOM 298 CD PRO A 19 5.768 -3.826 -8.378 1.00 1.00 C ATOM 0 HA PRO A 19 8.291 -4.251 -6.536 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.173 -2.095 -6.059 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.830 -1.872 -6.585 1.00 1.00 H new ATOM 0 HG2 PRO A 19 5.815 -1.640 -8.336 1.00 1.00 H new ATOM 0 HG3 PRO A 19 7.332 -2.365 -8.828 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.689 -3.728 -8.259 1.00 1.00 H new ATOM 0 HD3 PRO A 19 5.944 -4.205 -9.385 1.00 1.00 H new ATOM 306 N ALA A 20 5.661 -4.426 -4.587 1.00 1.00 N ATOM 307 CA ALA A 20 5.250 -4.686 -3.203 1.00 1.00 C ATOM 308 C ALA A 20 5.796 -6.028 -2.714 1.00 1.00 C ATOM 309 O ALA A 20 5.833 -6.285 -1.512 1.00 1.00 O ATOM 310 CB ALA A 20 3.702 -4.670 -3.102 1.00 1.00 C ATOM 0 H ALA A 20 4.890 -4.368 -5.253 1.00 1.00 H new ATOM 0 HA ALA A 20 5.660 -3.901 -2.568 1.00 1.00 H new ATOM 0 HB1 ALA A 20 3.403 -4.864 -2.072 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.327 -3.694 -3.412 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.287 -5.441 -3.751 1.00 1.00 H new ATOM 316 N ALA A 21 6.213 -6.882 -3.642 1.00 1.00 N ATOM 317 CA ALA A 21 6.748 -8.186 -3.280 1.00 1.00 C ATOM 318 C ALA A 21 8.062 -8.028 -2.517 1.00 1.00 C ATOM 319 O ALA A 21 9.036 -7.494 -3.050 1.00 1.00 O ATOM 320 CB ALA A 21 6.986 -9.014 -4.554 1.00 1.00 C ATOM 0 H ALA A 21 6.191 -6.695 -4.644 1.00 1.00 H new ATOM 0 HA ALA A 21 6.030 -8.698 -2.639 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.387 -9.991 -4.283 1.00 1.00 H new ATOM 0 HB2 ALA A 21 6.043 -9.143 -5.085 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.697 -8.496 -5.197 1.00 1.00 H new ATOM 326 N GLY A 22 8.084 -8.493 -1.264 1.00 1.00 N ATOM 327 CA GLY A 22 9.286 -8.409 -0.417 1.00 1.00 C ATOM 328 C GLY A 22 9.217 -7.223 0.540 1.00 1.00 C ATOM 329 O GLY A 22 10.114 -7.040 1.363 1.00 1.00 O ATOM 0 H GLY A 22 7.283 -8.933 -0.810 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.395 -9.331 0.153 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.170 -8.318 -1.048 1.00 1.00 H new ATOM 333 N ILE A 23 8.151 -6.407 0.426 1.00 1.00 N ATOM 334 CA ILE A 23 7.965 -5.216 1.282 1.00 1.00 C ATOM 335 C ILE A 23 6.740 -5.397 2.183 1.00 1.00 C ATOM 336 O ILE A 23 6.820 -5.195 3.396 1.00 1.00 O ATOM 337 CB ILE A 23 7.780 -3.968 0.379 1.00 1.00 C ATOM 338 CG1 ILE A 23 8.992 -3.861 -0.589 1.00 1.00 C ATOM 339 CG2 ILE A 23 7.689 -2.690 1.250 1.00 1.00 C ATOM 340 CD1 ILE A 23 8.786 -2.733 -1.605 1.00 1.00 C ATOM 0 H ILE A 23 7.403 -6.551 -0.252 1.00 1.00 H new ATOM 0 HA ILE A 23 8.842 -5.084 1.915 1.00 1.00 H new ATOM 0 HB ILE A 23 6.858 -4.066 -0.194 1.00 1.00 H new ATOM 0 HG12 ILE A 23 9.903 -3.679 -0.018 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.128 -4.807 -1.113 1.00 1.00 H new ATOM 0 HG21 ILE A 23 7.559 -1.820 0.607 1.00 1.00 H new ATOM 0 HG22 ILE A 23 6.839 -2.771 1.927 1.00 1.00 H new ATOM 0 HG23 ILE A 23 8.605 -2.579 1.830 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.648 -2.680 -2.270 1.00 1.00 H new ATOM 0 HD12 ILE A 23 7.888 -2.930 -2.190 1.00 1.00 H new ATOM 0 HD13 ILE A 23 8.675 -1.785 -1.079 1.00 1.00 H new ATOM 352 N LEU A 24 5.606 -5.773 1.573 1.00 1.00 N ATOM 353 CA LEU A 24 4.332 -5.981 2.294 1.00 1.00 C ATOM 354 C LEU A 24 3.977 -7.468 2.316 1.00 1.00 C ATOM 355 O LEU A 24 4.357 -8.229 1.425 1.00 1.00 O ATOM 356 CB LEU A 24 3.205 -5.176 1.593 1.00 1.00 C ATOM 357 CG LEU A 24 3.308 -3.635 1.878 1.00 1.00 C ATOM 358 CD1 LEU A 24 2.428 -2.878 0.864 1.00 1.00 C ATOM 359 CD2 LEU A 24 2.804 -3.308 3.311 1.00 1.00 C ATOM 0 H LEU A 24 5.542 -5.942 0.569 1.00 1.00 H new ATOM 0 HA LEU A 24 4.439 -5.633 3.321 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.253 -5.348 0.518 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.236 -5.542 1.931 1.00 1.00 H new ATOM 0 HG LEU A 24 4.351 -3.331 1.788 1.00 1.00 H new ATOM 0 HD11 LEU A 24 2.493 -1.807 1.054 1.00 1.00 H new ATOM 0 HD12 LEU A 24 2.775 -3.089 -0.148 1.00 1.00 H new ATOM 0 HD13 LEU A 24 1.393 -3.202 0.967 1.00 1.00 H new ATOM 0 HD21 LEU A 24 2.884 -2.236 3.489 1.00 1.00 H new ATOM 0 HD22 LEU A 24 1.763 -3.616 3.410 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.411 -3.843 4.041 1.00 1.00 H new ATOM 371 N HIS A 25 3.251 -7.869 3.365 1.00 1.00 N ATOM 372 CA HIS A 25 2.838 -9.262 3.553 1.00 1.00 C ATOM 373 C HIS A 25 1.439 -9.317 4.162 1.00 1.00 C ATOM 374 O HIS A 25 0.993 -8.377 4.820 1.00 1.00 O ATOM 375 CB HIS A 25 3.846 -9.955 4.484 1.00 1.00 C ATOM 376 CG HIS A 25 3.982 -9.175 5.766 1.00 1.00 C ATOM 377 ND1 HIS A 25 5.008 -8.267 5.972 1.00 1.00 N ATOM 378 CD2 HIS A 25 3.255 -9.187 6.934 1.00 1.00 C ATOM 379 CE1 HIS A 25 4.870 -7.778 7.213 1.00 1.00 C ATOM 380 NE2 HIS A 25 3.820 -8.301 7.849 1.00 1.00 N ATOM 0 H HIS A 25 2.935 -7.240 4.103 1.00 1.00 H new ATOM 0 HA HIS A 25 2.815 -9.772 2.590 1.00 1.00 H new ATOM 0 HB2 HIS A 25 3.516 -10.971 4.700 1.00 1.00 H new ATOM 0 HB3 HIS A 25 4.815 -10.033 3.991 1.00 1.00 H new ATOM 0 HD2 HIS A 25 2.379 -9.792 7.114 1.00 1.00 H new ATOM 0 HE1 HIS A 25 5.533 -7.045 7.648 1.00 1.00 H new ATOM 0 HE2 HIS A 25 3.501 -8.097 8.796 1.00 1.00 H new ATOM 389 N ALA A 26 0.753 -10.430 3.915 1.00 1.00 N ATOM 390 CA ALA A 26 -0.606 -10.629 4.413 1.00 1.00 C ATOM 391 C ALA A 26 -0.670 -10.440 5.932 1.00 1.00 C ATOM 392 O ALA A 26 0.219 -10.884 6.658 1.00 1.00 O ATOM 393 CB ALA A 26 -1.072 -12.040 4.047 1.00 1.00 C ATOM 0 H ALA A 26 1.118 -11.211 3.370 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.259 -9.888 3.953 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.086 -12.195 4.416 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.058 -12.158 2.964 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.405 -12.773 4.501 1.00 1.00 H new ATOM 399 N GLY A 27 -1.733 -9.779 6.403 1.00 1.00 N ATOM 400 CA GLY A 27 -1.922 -9.527 7.837 1.00 1.00 C ATOM 401 C GLY A 27 -1.322 -8.182 8.245 1.00 1.00 C ATOM 402 O GLY A 27 -1.443 -7.773 9.400 1.00 1.00 O ATOM 0 H GLY A 27 -2.477 -9.408 5.812 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.986 -9.541 8.074 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.456 -10.326 8.414 1.00 1.00 H new ATOM 406 N ASP A 28 -0.673 -7.489 7.298 1.00 1.00 N ATOM 407 CA ASP A 28 -0.059 -6.184 7.586 1.00 1.00 C ATOM 408 C ASP A 28 -1.122 -5.077 7.581 1.00 1.00 C ATOM 409 O ASP A 28 -1.859 -4.928 6.613 1.00 1.00 O ATOM 410 CB ASP A 28 1.015 -5.871 6.534 1.00 1.00 C ATOM 411 CG ASP A 28 1.700 -4.541 6.853 1.00 1.00 C ATOM 412 OD1 ASP A 28 1.963 -4.300 8.020 1.00 1.00 O ATOM 413 OD2 ASP A 28 1.957 -3.793 5.925 1.00 1.00 O ATOM 0 H ASP A 28 -0.560 -7.806 6.335 1.00 1.00 H new ATOM 0 HA ASP A 28 0.400 -6.226 8.574 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.754 -6.672 6.510 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.561 -5.826 5.544 1.00 1.00 H new ATOM 418 N LEU A 29 -1.187 -4.293 8.673 1.00 1.00 N ATOM 419 CA LEU A 29 -2.159 -3.186 8.798 1.00 1.00 C ATOM 420 C LEU A 29 -1.440 -1.858 8.545 1.00 1.00 C ATOM 421 O LEU A 29 -0.406 -1.590 9.148 1.00 1.00 O ATOM 422 CB LEU A 29 -2.789 -3.191 10.218 1.00 1.00 C ATOM 423 CG LEU A 29 -3.173 -4.624 10.637 1.00 1.00 C ATOM 424 CD1 LEU A 29 -3.856 -4.585 12.017 1.00 1.00 C ATOM 425 CD2 LEU A 29 -4.119 -5.272 9.593 1.00 1.00 C ATOM 0 H LEU A 29 -0.578 -4.404 9.484 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.955 -3.313 8.065 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -2.083 -2.773 10.936 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.673 -2.553 10.232 1.00 1.00 H new ATOM 0 HG LEU A 29 -2.268 -5.228 10.692 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.129 -5.597 12.317 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -3.170 -4.162 12.751 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -4.753 -3.968 11.962 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.375 -6.282 9.912 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -5.028 -4.677 9.507 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -3.619 -5.313 8.625 1.00 1.00 H new ATOM 437 N ILE A 30 -2.000 -1.022 7.665 1.00 1.00 N ATOM 438 CA ILE A 30 -1.397 0.278 7.357 1.00 1.00 C ATOM 439 C ILE A 30 -1.861 1.313 8.390 1.00 1.00 C ATOM 440 O ILE A 30 -3.061 1.477 8.616 1.00 1.00 O ATOM 441 CB ILE A 30 -1.811 0.725 5.936 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.579 -0.428 4.917 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.010 1.975 5.524 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.123 -0.922 4.908 1.00 1.00 C ATOM 0 H ILE A 30 -2.862 -1.220 7.157 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.311 0.193 7.396 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.872 0.973 5.940 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.240 -1.260 5.158 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.849 -0.086 3.918 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.307 2.284 4.522 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.210 2.783 6.227 1.00 1.00 H new ATOM 0 HG23 ILE A 30 0.055 1.743 5.531 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.016 -1.726 4.180 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.539 -0.099 4.639 1.00 1.00 H new ATOM 0 HD13 ILE A 30 0.142 -1.292 5.899 1.00 1.00 H new ATOM 456 N THR A 31 -0.905 2.011 9.008 1.00 1.00 N ATOM 457 CA THR A 31 -1.208 3.038 10.019 1.00 1.00 C ATOM 458 C THR A 31 -1.304 4.419 9.374 1.00 1.00 C ATOM 459 O THR A 31 -2.190 5.207 9.706 1.00 1.00 O ATOM 460 CB THR A 31 -0.104 3.043 11.083 1.00 1.00 C ATOM 461 OG1 THR A 31 1.135 3.322 10.457 1.00 1.00 O ATOM 462 CG2 THR A 31 -0.031 1.673 11.768 1.00 1.00 C ATOM 0 H THR A 31 0.091 1.886 8.828 1.00 1.00 H new ATOM 0 HA THR A 31 -2.168 2.804 10.480 1.00 1.00 H new ATOM 0 HB THR A 31 -0.324 3.803 11.832 1.00 1.00 H new ATOM 0 HG1 THR A 31 1.120 2.985 9.537 1.00 1.00 H new ATOM 0 HG21 THR A 31 0.756 1.685 12.522 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.987 1.453 12.244 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.190 0.906 11.025 1.00 1.00 H new ATOM 470 N GLU A 32 -0.384 4.717 8.450 1.00 1.00 N ATOM 471 CA GLU A 32 -0.371 6.018 7.763 1.00 1.00 C ATOM 472 C GLU A 32 0.288 5.888 6.388 1.00 1.00 C ATOM 473 O GLU A 32 1.120 5.008 6.171 1.00 1.00 O ATOM 474 CB GLU A 32 0.364 7.048 8.639 1.00 1.00 C ATOM 475 CG GLU A 32 0.325 8.448 8.002 1.00 1.00 C ATOM 476 CD GLU A 32 0.972 9.480 8.932 1.00 1.00 C ATOM 477 OE1 GLU A 32 1.730 9.083 9.800 1.00 1.00 O ATOM 478 OE2 GLU A 32 0.685 10.655 8.767 1.00 1.00 O ATOM 0 H GLU A 32 0.358 4.080 8.160 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.394 6.359 7.606 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -0.095 7.082 9.627 1.00 1.00 H new ATOM 0 HB3 GLU A 32 1.400 6.738 8.779 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.848 8.433 7.046 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.707 8.732 7.797 1.00 1.00 H new ATOM 485 N ILE A 33 -0.111 6.767 5.450 1.00 1.00 N ATOM 486 CA ILE A 33 0.424 6.755 4.067 1.00 1.00 C ATOM 487 C ILE A 33 0.688 8.203 3.621 1.00 1.00 C ATOM 488 O ILE A 33 -0.126 9.088 3.881 1.00 1.00 O ATOM 489 CB ILE A 33 -0.609 6.019 3.128 1.00 1.00 C ATOM 490 CG1 ILE A 33 0.105 5.244 1.979 1.00 1.00 C ATOM 491 CG2 ILE A 33 -1.663 6.991 2.520 1.00 1.00 C ATOM 492 CD1 ILE A 33 1.013 6.149 1.137 1.00 1.00 C ATOM 0 H ILE A 33 -0.803 7.497 5.621 1.00 1.00 H new ATOM 0 HA ILE A 33 1.369 6.214 4.014 1.00 1.00 H new ATOM 0 HB ILE A 33 -1.132 5.307 3.767 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.698 4.435 2.405 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -0.644 4.785 1.334 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.348 6.432 1.883 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -2.223 7.469 3.324 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -1.156 7.753 1.928 1.00 1.00 H new ATOM 0 HD11 ILE A 33 1.486 5.560 0.351 1.00 1.00 H new ATOM 0 HD12 ILE A 33 0.418 6.944 0.687 1.00 1.00 H new ATOM 0 HD13 ILE A 33 1.781 6.587 1.774 1.00 1.00 H new ATOM 504 N ASP A 34 1.812 8.435 2.939 1.00 1.00 N ATOM 505 CA ASP A 34 2.166 9.772 2.448 1.00 1.00 C ATOM 506 C ASP A 34 1.972 10.846 3.531 1.00 1.00 C ATOM 507 O ASP A 34 1.758 12.021 3.233 1.00 1.00 O ATOM 508 CB ASP A 34 1.331 10.106 1.199 1.00 1.00 C ATOM 509 CG ASP A 34 1.794 11.422 0.576 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.928 11.473 0.128 1.00 1.00 O ATOM 511 OD2 ASP A 34 1.021 12.364 0.569 1.00 1.00 O ATOM 0 H ASP A 34 2.496 7.713 2.713 1.00 1.00 H new ATOM 0 HA ASP A 34 3.223 9.767 2.184 1.00 1.00 H new ATOM 0 HB2 ASP A 34 1.421 9.301 0.469 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.277 10.176 1.468 1.00 1.00 H new ATOM 516 N GLY A 35 2.057 10.422 4.789 1.00 1.00 N ATOM 517 CA GLY A 35 1.907 11.336 5.922 1.00 1.00 C ATOM 518 C GLY A 35 0.468 11.828 6.060 1.00 1.00 C ATOM 519 O GLY A 35 0.173 12.677 6.902 1.00 1.00 O ATOM 0 H GLY A 35 2.229 9.451 5.052 1.00 1.00 H new ATOM 0 HA2 GLY A 35 2.209 10.832 6.840 1.00 1.00 H new ATOM 0 HA3 GLY A 35 2.573 12.189 5.793 1.00 1.00 H new ATOM 523 N GLN A 36 -0.430 11.299 5.223 1.00 1.00 N ATOM 524 CA GLN A 36 -1.845 11.696 5.245 1.00 1.00 C ATOM 525 C GLN A 36 -2.600 10.944 6.347 1.00 1.00 C ATOM 526 O GLN A 36 -2.500 9.723 6.464 1.00 1.00 O ATOM 527 CB GLN A 36 -2.486 11.385 3.880 1.00 1.00 C ATOM 528 CG GLN A 36 -1.780 12.174 2.757 1.00 1.00 C ATOM 529 CD GLN A 36 -2.000 13.676 2.928 1.00 1.00 C ATOM 530 OE1 GLN A 36 -3.133 14.130 3.089 1.00 1.00 O ATOM 531 NE2 GLN A 36 -0.978 14.488 2.920 1.00 1.00 N ATOM 0 H GLN A 36 -0.204 10.594 4.521 1.00 1.00 H new ATOM 0 HA GLN A 36 -1.905 12.765 5.448 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -2.422 10.316 3.677 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -3.545 11.642 3.902 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -0.712 11.955 2.768 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -2.161 11.854 1.787 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -0.036 14.121 2.787 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -1.122 15.490 3.047 1.00 1.00 H new ATOM 593 N SER A 40 -10.526 5.216 7.789 1.00 1.00 N ATOM 594 CA SER A 40 -11.528 4.384 7.086 1.00 1.00 C ATOM 595 C SER A 40 -10.996 3.869 5.755 1.00 1.00 C ATOM 596 O SER A 40 -10.330 4.605 5.024 1.00 1.00 O ATOM 597 CB SER A 40 -12.796 5.206 6.830 1.00 1.00 C ATOM 598 OG SER A 40 -12.490 6.270 5.936 1.00 1.00 O ATOM 0 HA SER A 40 -11.752 3.528 7.723 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.576 4.572 6.407 1.00 1.00 H new ATOM 0 HB3 SER A 40 -13.182 5.603 7.769 1.00 1.00 H new ATOM 0 HG SER A 40 -13.298 6.798 5.767 1.00 1.00 H new ATOM 604 N SER A 41 -11.263 2.603 5.450 1.00 1.00 N ATOM 605 CA SER A 41 -10.767 2.022 4.211 1.00 1.00 C ATOM 606 C SER A 41 -11.286 2.812 3.021 1.00 1.00 C ATOM 607 O SER A 41 -10.516 3.221 2.167 1.00 1.00 O ATOM 608 CB SER A 41 -11.212 0.564 4.105 1.00 1.00 C ATOM 609 OG SER A 41 -12.631 0.504 4.106 1.00 1.00 O ATOM 0 H SER A 41 -11.811 1.970 6.033 1.00 1.00 H new ATOM 0 HA SER A 41 -9.678 2.061 4.212 1.00 1.00 H new ATOM 0 HB2 SER A 41 -10.819 0.117 3.192 1.00 1.00 H new ATOM 0 HB3 SER A 41 -10.812 -0.012 4.940 1.00 1.00 H new ATOM 0 HG SER A 41 -12.919 -0.430 4.036 1.00 1.00 H new ATOM 615 N GLN A 42 -12.596 3.040 2.975 1.00 1.00 N ATOM 616 CA GLN A 42 -13.209 3.762 1.856 1.00 1.00 C ATOM 617 C GLN A 42 -12.455 5.058 1.553 1.00 1.00 C ATOM 618 O GLN A 42 -12.197 5.373 0.391 1.00 1.00 O ATOM 619 CB GLN A 42 -14.673 4.081 2.221 1.00 1.00 C ATOM 620 CG GLN A 42 -15.405 4.713 1.027 1.00 1.00 C ATOM 621 CD GLN A 42 -16.858 5.004 1.382 1.00 1.00 C ATOM 622 OE1 GLN A 42 -17.429 4.397 2.290 1.00 1.00 O ATOM 623 NE2 GLN A 42 -17.511 5.913 0.709 1.00 1.00 N ATOM 0 H GLN A 42 -13.253 2.738 3.694 1.00 1.00 H new ATOM 0 HA GLN A 42 -13.166 3.137 0.964 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -15.184 3.168 2.525 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.701 4.761 3.072 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.905 5.636 0.734 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -15.362 4.041 0.170 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -17.047 6.421 -0.044 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -18.485 6.115 0.937 1.00 1.00 H new ATOM 632 N GLU A 43 -12.076 5.785 2.593 1.00 1.00 N ATOM 633 CA GLU A 43 -11.323 7.019 2.411 1.00 1.00 C ATOM 634 C GLU A 43 -9.914 6.684 1.919 1.00 1.00 C ATOM 635 O GLU A 43 -9.304 7.452 1.180 1.00 1.00 O ATOM 636 CB GLU A 43 -11.261 7.793 3.744 1.00 1.00 C ATOM 637 CG GLU A 43 -10.583 9.171 3.562 1.00 1.00 C ATOM 638 CD GLU A 43 -11.425 10.079 2.664 1.00 1.00 C ATOM 639 OE1 GLU A 43 -12.621 9.854 2.577 1.00 1.00 O ATOM 640 OE2 GLU A 43 -10.863 10.976 2.056 1.00 1.00 O ATOM 0 H GLU A 43 -12.275 5.546 3.564 1.00 1.00 H new ATOM 0 HA GLU A 43 -11.817 7.646 1.669 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -12.269 7.930 4.135 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -10.710 7.209 4.481 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -10.443 9.643 4.534 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -9.593 9.039 3.126 1.00 1.00 H new ATOM 647 N PHE A 44 -9.392 5.530 2.349 1.00 1.00 N ATOM 648 CA PHE A 44 -8.048 5.100 1.961 1.00 1.00 C ATOM 649 C PHE A 44 -8.015 4.688 0.490 1.00 1.00 C ATOM 650 O PHE A 44 -7.162 5.134 -0.270 1.00 1.00 O ATOM 651 CB PHE A 44 -7.628 3.914 2.860 1.00 1.00 C ATOM 652 CG PHE A 44 -6.108 3.744 2.837 1.00 1.00 C ATOM 653 CD1 PHE A 44 -5.507 2.975 1.833 1.00 1.00 C ATOM 654 CD2 PHE A 44 -5.311 4.371 3.803 1.00 1.00 C ATOM 655 CE1 PHE A 44 -4.115 2.831 1.797 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.918 4.227 3.769 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.321 3.458 2.764 1.00 1.00 C ATOM 0 H PHE A 44 -9.880 4.880 2.965 1.00 1.00 H new ATOM 0 HA PHE A 44 -7.351 5.928 2.091 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.966 4.086 3.882 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -8.109 2.999 2.515 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.118 2.492 1.085 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.772 4.967 4.577 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -3.654 2.236 1.023 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.306 4.709 4.517 1.00 1.00 H new ATOM 0 HZ PHE A 44 -2.247 3.348 2.734 1.00 1.00 H new ATOM 667 N ILE A 45 -8.967 3.835 0.111 1.00 1.00 N ATOM 668 CA ILE A 45 -9.066 3.346 -1.266 1.00 1.00 C ATOM 669 C ILE A 45 -9.233 4.528 -2.220 1.00 1.00 C ATOM 670 O ILE A 45 -8.820 4.473 -3.376 1.00 1.00 O ATOM 671 CB ILE A 45 -10.259 2.366 -1.417 1.00 1.00 C ATOM 672 CG1 ILE A 45 -10.173 1.210 -0.371 1.00 1.00 C ATOM 673 CG2 ILE A 45 -10.295 1.780 -2.844 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.831 0.458 -0.413 1.00 1.00 C ATOM 0 H ILE A 45 -9.682 3.467 0.739 1.00 1.00 H new ATOM 0 HA ILE A 45 -8.150 2.809 -1.513 1.00 1.00 H new ATOM 0 HB ILE A 45 -11.177 2.926 -1.236 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.322 1.620 0.628 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -10.984 0.504 -0.550 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -11.137 1.094 -2.935 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.406 2.588 -3.567 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.367 1.243 -3.040 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.833 -0.333 0.337 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -8.690 0.020 -1.401 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -8.018 1.153 -0.205 1.00 1.00 H new ATOM 686 N ASP A 46 -9.839 5.595 -1.714 1.00 1.00 N ATOM 687 CA ASP A 46 -10.058 6.801 -2.516 1.00 1.00 C ATOM 688 C ASP A 46 -8.722 7.476 -2.857 1.00 1.00 C ATOM 689 O ASP A 46 -8.553 8.019 -3.947 1.00 1.00 O ATOM 690 CB ASP A 46 -10.959 7.785 -1.752 1.00 1.00 C ATOM 691 CG ASP A 46 -11.302 8.990 -2.629 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.630 8.778 -3.785 1.00 1.00 O ATOM 693 OD2 ASP A 46 -11.221 10.101 -2.131 1.00 1.00 O ATOM 0 H ASP A 46 -10.187 5.654 -0.757 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.548 6.511 -3.445 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -11.875 7.282 -1.441 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.455 8.120 -0.845 1.00 1.00 H new ATOM 698 N TYR A 47 -7.774 7.418 -1.913 1.00 1.00 N ATOM 699 CA TYR A 47 -6.436 8.016 -2.095 1.00 1.00 C ATOM 700 C TYR A 47 -5.629 7.258 -3.150 1.00 1.00 C ATOM 701 O TYR A 47 -4.956 7.855 -3.988 1.00 1.00 O ATOM 702 CB TYR A 47 -5.658 8.023 -0.720 1.00 1.00 C ATOM 703 CG TYR A 47 -4.202 7.544 -0.899 1.00 1.00 C ATOM 704 CD1 TYR A 47 -3.229 8.427 -1.381 1.00 1.00 C ATOM 705 CD2 TYR A 47 -3.870 6.207 -0.646 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.923 7.975 -1.608 1.00 1.00 C ATOM 707 CE2 TYR A 47 -2.566 5.753 -0.872 1.00 1.00 C ATOM 708 CZ TYR A 47 -1.594 6.639 -1.354 1.00 1.00 C ATOM 709 OH TYR A 47 -0.320 6.190 -1.597 1.00 1.00 O ATOM 0 H TYR A 47 -7.905 6.962 -1.010 1.00 1.00 H new ATOM 0 HA TYR A 47 -6.567 9.041 -2.442 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.663 9.029 -0.301 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -6.170 7.378 -0.006 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.485 9.457 -1.578 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -4.622 5.526 -0.276 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.171 8.656 -1.978 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -2.310 4.722 -0.675 1.00 1.00 H new ATOM 0 HH TYR A 47 -0.259 5.240 -1.366 1.00 1.00 H new ATOM 719 N ILE A 48 -5.633 5.937 -3.037 1.00 1.00 N ATOM 720 CA ILE A 48 -4.816 5.100 -3.929 1.00 1.00 C ATOM 721 C ILE A 48 -5.097 5.452 -5.390 1.00 1.00 C ATOM 722 O ILE A 48 -4.181 5.520 -6.210 1.00 1.00 O ATOM 723 CB ILE A 48 -5.098 3.583 -3.704 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.995 3.228 -2.202 1.00 1.00 C ATOM 725 CG2 ILE A 48 -4.059 2.747 -4.491 1.00 1.00 C ATOM 726 CD1 ILE A 48 -5.341 1.747 -1.960 1.00 1.00 C ATOM 0 H ILE A 48 -6.181 5.420 -2.350 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.770 5.297 -3.696 1.00 1.00 H new ATOM 0 HB ILE A 48 -6.106 3.360 -4.054 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.986 3.432 -1.845 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.671 3.862 -1.628 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -4.253 1.686 -4.336 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -4.135 2.978 -5.553 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -3.056 2.988 -4.138 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.261 1.524 -0.896 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -6.359 1.552 -2.296 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -4.648 1.116 -2.516 1.00 1.00 H new ATOM 738 N HIS A 49 -6.369 5.663 -5.705 1.00 1.00 N ATOM 739 CA HIS A 49 -6.779 6.000 -7.065 1.00 1.00 C ATOM 740 C HIS A 49 -6.635 7.501 -7.333 1.00 1.00 C ATOM 741 O HIS A 49 -6.623 7.931 -8.485 1.00 1.00 O ATOM 742 CB HIS A 49 -8.248 5.610 -7.245 1.00 1.00 C ATOM 743 CG HIS A 49 -8.451 4.163 -6.892 1.00 1.00 C ATOM 744 ND1 HIS A 49 -7.575 3.163 -7.284 1.00 1.00 N ATOM 745 CD2 HIS A 49 -9.470 3.529 -6.222 1.00 1.00 C ATOM 746 CE1 HIS A 49 -8.082 1.996 -6.852 1.00 1.00 C ATOM 747 NE2 HIS A 49 -9.235 2.156 -6.198 1.00 1.00 N ATOM 0 H HIS A 49 -7.137 5.607 -5.036 1.00 1.00 H new ATOM 0 HA HIS A 49 -6.140 5.460 -7.763 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.878 6.237 -6.614 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.554 5.786 -8.276 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -10.324 4.021 -5.781 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -7.611 1.038 -7.015 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -9.816 1.432 -5.774 1.00 1.00 H new ATOM 756 N SER A 50 -6.560 8.301 -6.264 1.00 1.00 N ATOM 757 CA SER A 50 -6.461 9.757 -6.412 1.00 1.00 C ATOM 758 C SER A 50 -5.173 10.164 -7.117 1.00 1.00 C ATOM 759 O SER A 50 -5.111 11.229 -7.731 1.00 1.00 O ATOM 760 CB SER A 50 -6.528 10.433 -5.037 1.00 1.00 C ATOM 761 OG SER A 50 -6.571 11.843 -5.211 1.00 1.00 O ATOM 0 H SER A 50 -6.566 7.971 -5.299 1.00 1.00 H new ATOM 0 HA SER A 50 -7.302 10.083 -7.024 1.00 1.00 H new ATOM 0 HB2 SER A 50 -7.411 10.094 -4.495 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.660 10.155 -4.439 1.00 1.00 H new ATOM 0 HG SER A 50 -6.615 12.280 -4.335 1.00 1.00 H new ATOM 767 N LYS A 51 -4.146 9.313 -7.032 1.00 1.00 N ATOM 768 CA LYS A 51 -2.848 9.587 -7.672 1.00 1.00 C ATOM 769 C LYS A 51 -2.795 8.936 -9.049 1.00 1.00 C ATOM 770 O LYS A 51 -3.789 8.391 -9.531 1.00 1.00 O ATOM 771 CB LYS A 51 -1.700 9.064 -6.782 1.00 1.00 C ATOM 772 CG LYS A 51 -1.615 9.905 -5.476 1.00 1.00 C ATOM 773 CD LYS A 51 -0.315 9.588 -4.699 1.00 1.00 C ATOM 774 CE LYS A 51 -0.104 10.611 -3.549 1.00 1.00 C ATOM 775 NZ LYS A 51 0.456 11.864 -4.130 1.00 1.00 N ATOM 0 H LYS A 51 -4.185 8.428 -6.527 1.00 1.00 H new ATOM 0 HA LYS A 51 -2.732 10.664 -7.794 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.866 8.015 -6.539 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.755 9.120 -7.323 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -1.648 10.967 -5.720 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -2.480 9.695 -4.847 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -0.366 8.579 -4.291 1.00 1.00 H new ATOM 0 HD3 LYS A 51 0.537 9.615 -5.378 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -1.049 10.816 -3.046 1.00 1.00 H new ATOM 0 HE3 LYS A 51 0.575 10.204 -2.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 0.715 12.517 -3.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 1.301 11.638 -4.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -0.257 12.312 -4.741 1.00 1.00 H new ATOM 789 N LYS A 52 -1.618 9.026 -9.684 1.00 1.00 N ATOM 790 CA LYS A 52 -1.387 8.478 -11.030 1.00 1.00 C ATOM 791 C LYS A 52 -0.111 7.633 -11.054 1.00 1.00 C ATOM 792 O LYS A 52 0.725 7.718 -10.155 1.00 1.00 O ATOM 793 CB LYS A 52 -1.300 9.636 -12.043 1.00 1.00 C ATOM 794 CG LYS A 52 -1.261 9.092 -13.489 1.00 1.00 C ATOM 795 CD LYS A 52 -1.350 10.241 -14.500 1.00 1.00 C ATOM 796 CE LYS A 52 -1.346 9.663 -15.922 1.00 1.00 C ATOM 797 NZ LYS A 52 -0.099 8.870 -16.126 1.00 1.00 N ATOM 0 H LYS A 52 -0.799 9.480 -9.280 1.00 1.00 H new ATOM 0 HA LYS A 52 -2.219 7.829 -11.304 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -2.157 10.298 -11.921 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -0.407 10.231 -11.848 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -0.340 8.531 -13.648 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -2.087 8.398 -13.645 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -2.258 10.819 -14.332 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -0.509 10.922 -14.369 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -2.222 9.032 -16.073 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -1.403 10.468 -16.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 0.100 8.792 -17.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 0.696 9.345 -15.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -0.223 7.919 -15.724 1.00 1.00 H new ATOM 811 N VAL A 53 -0.001 6.789 -12.082 1.00 1.00 N ATOM 812 CA VAL A 53 1.135 5.888 -12.241 1.00 1.00 C ATOM 813 C VAL A 53 2.425 6.664 -12.489 1.00 1.00 C ATOM 814 O VAL A 53 2.446 7.637 -13.245 1.00 1.00 O ATOM 815 CB VAL A 53 0.873 4.921 -13.421 1.00 1.00 C ATOM 816 CG1 VAL A 53 1.988 3.856 -13.502 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.482 4.221 -13.221 1.00 1.00 C ATOM 0 H VAL A 53 -0.697 6.713 -12.824 1.00 1.00 H new ATOM 0 HA VAL A 53 1.251 5.320 -11.318 1.00 1.00 H new ATOM 0 HB VAL A 53 0.861 5.495 -14.348 1.00 1.00 H new ATOM 0 HG11 VAL A 53 1.789 3.184 -14.337 1.00 1.00 H new ATOM 0 HG12 VAL A 53 2.950 4.347 -13.652 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.013 3.285 -12.574 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.666 3.540 -14.052 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.467 3.658 -12.288 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -1.275 4.968 -13.181 1.00 1.00 H new ATOM 827 N GLY A 54 3.505 6.211 -11.846 1.00 1.00 N ATOM 828 CA GLY A 54 4.833 6.842 -11.990 1.00 1.00 C ATOM 829 C GLY A 54 5.128 7.759 -10.814 1.00 1.00 C ATOM 830 O GLY A 54 6.209 8.340 -10.717 1.00 1.00 O ATOM 0 H GLY A 54 3.492 5.408 -11.218 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.601 6.071 -12.057 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.871 7.411 -12.919 1.00 1.00 H new ATOM 834 N ASP A 55 4.157 7.870 -9.919 1.00 1.00 N ATOM 835 CA ASP A 55 4.295 8.705 -8.724 1.00 1.00 C ATOM 836 C ASP A 55 5.173 7.992 -7.696 1.00 1.00 C ATOM 837 O ASP A 55 5.746 6.940 -7.981 1.00 1.00 O ATOM 838 CB ASP A 55 2.896 8.987 -8.143 1.00 1.00 C ATOM 839 CG ASP A 55 2.083 9.870 -9.103 1.00 1.00 C ATOM 840 OD1 ASP A 55 2.687 10.484 -9.968 1.00 1.00 O ATOM 841 OD2 ASP A 55 0.873 9.908 -8.956 1.00 1.00 O ATOM 0 H ASP A 55 3.259 7.392 -9.994 1.00 1.00 H new ATOM 0 HA ASP A 55 4.769 9.652 -8.983 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.371 8.047 -7.971 1.00 1.00 H new ATOM 0 HB3 ASP A 55 2.990 9.481 -7.176 1.00 1.00 H new ATOM 846 N THR A 56 5.266 8.569 -6.495 1.00 1.00 N ATOM 847 CA THR A 56 6.066 7.995 -5.399 1.00 1.00 C ATOM 848 C THR A 56 5.415 8.331 -4.066 1.00 1.00 C ATOM 849 O THR A 56 4.878 9.421 -3.883 1.00 1.00 O ATOM 850 CB THR A 56 7.493 8.551 -5.423 1.00 1.00 C ATOM 851 OG1 THR A 56 8.162 8.176 -4.227 1.00 1.00 O ATOM 852 CG2 THR A 56 7.464 10.080 -5.531 1.00 1.00 C ATOM 0 H THR A 56 4.795 9.440 -6.252 1.00 1.00 H new ATOM 0 HA THR A 56 6.110 6.914 -5.529 1.00 1.00 H new ATOM 0 HB THR A 56 8.019 8.145 -6.287 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.076 8.529 -4.239 1.00 1.00 H new ATOM 0 HG21 THR A 56 8.484 10.463 -5.547 1.00 1.00 H new ATOM 0 HG22 THR A 56 6.953 10.370 -6.449 1.00 1.00 H new ATOM 0 HG23 THR A 56 6.934 10.495 -4.674 1.00 1.00 H new ATOM 860 N VAL A 57 5.440 7.368 -3.144 1.00 1.00 N ATOM 861 CA VAL A 57 4.824 7.529 -1.812 1.00 1.00 C ATOM 862 C VAL A 57 5.661 6.865 -0.722 1.00 1.00 C ATOM 863 O VAL A 57 6.535 6.056 -1.003 1.00 1.00 O ATOM 864 CB VAL A 57 3.410 6.911 -1.815 1.00 1.00 C ATOM 865 CG1 VAL A 57 2.503 7.689 -2.788 1.00 1.00 C ATOM 866 CG2 VAL A 57 3.485 5.427 -2.240 1.00 1.00 C ATOM 0 H VAL A 57 5.881 6.460 -3.290 1.00 1.00 H new ATOM 0 HA VAL A 57 4.768 8.596 -1.597 1.00 1.00 H new ATOM 0 HB VAL A 57 2.992 6.972 -0.810 1.00 1.00 H new ATOM 0 HG11 VAL A 57 1.506 7.249 -2.787 1.00 1.00 H new ATOM 0 HG12 VAL A 57 2.440 8.731 -2.473 1.00 1.00 H new ATOM 0 HG13 VAL A 57 2.920 7.639 -3.794 1.00 1.00 H new ATOM 0 HG21 VAL A 57 2.483 4.997 -2.240 1.00 1.00 H new ATOM 0 HG22 VAL A 57 3.910 5.356 -3.241 1.00 1.00 H new ATOM 0 HG23 VAL A 57 4.115 4.879 -1.539 1.00 1.00 H new ATOM 876 N LYS A 58 5.334 7.215 0.530 1.00 1.00 N ATOM 877 CA LYS A 58 5.989 6.660 1.731 1.00 1.00 C ATOM 878 C LYS A 58 4.930 5.931 2.551 1.00 1.00 C ATOM 879 O LYS A 58 3.935 6.538 2.937 1.00 1.00 O ATOM 880 CB LYS A 58 6.591 7.804 2.556 1.00 1.00 C ATOM 881 CG LYS A 58 7.718 8.476 1.758 1.00 1.00 C ATOM 882 CD LYS A 58 8.333 9.614 2.582 1.00 1.00 C ATOM 883 CE LYS A 58 9.428 10.303 1.764 1.00 1.00 C ATOM 884 NZ LYS A 58 10.475 9.306 1.402 1.00 1.00 N ATOM 0 H LYS A 58 4.604 7.895 0.743 1.00 1.00 H new ATOM 0 HA LYS A 58 6.786 5.972 1.451 1.00 1.00 H new ATOM 0 HB2 LYS A 58 5.820 8.534 2.801 1.00 1.00 H new ATOM 0 HB3 LYS A 58 6.979 7.421 3.500 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.484 7.743 1.506 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.328 8.866 0.818 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.563 10.334 2.858 1.00 1.00 H new ATOM 0 HD3 LYS A 58 8.750 9.221 3.510 1.00 1.00 H new ATOM 0 HE2 LYS A 58 9.002 10.743 0.862 1.00 1.00 H new ATOM 0 HE3 LYS A 58 9.869 11.118 2.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 11.416 9.738 1.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 10.402 8.482 2.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 10.339 9.001 0.417 1.00 1.00 H new ATOM 898 N ILE A 59 5.137 4.628 2.809 1.00 1.00 N ATOM 899 CA ILE A 59 4.172 3.802 3.561 1.00 1.00 C ATOM 900 C ILE A 59 4.631 3.605 4.999 1.00 1.00 C ATOM 901 O ILE A 59 5.816 3.436 5.254 1.00 1.00 O ATOM 902 CB ILE A 59 4.006 2.414 2.856 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.670 1.737 3.288 1.00 1.00 C ATOM 904 CG2 ILE A 59 5.190 1.455 3.195 1.00 1.00 C ATOM 905 CD1 ILE A 59 2.427 0.498 2.430 1.00 1.00 C ATOM 0 H ILE A 59 5.968 4.120 2.506 1.00 1.00 H new ATOM 0 HA ILE A 59 3.212 4.318 3.578 1.00 1.00 H new ATOM 0 HB ILE A 59 3.997 2.598 1.782 1.00 1.00 H new ATOM 0 HG12 ILE A 59 2.714 1.460 4.341 1.00 1.00 H new ATOM 0 HG13 ILE A 59 1.842 2.437 3.177 1.00 1.00 H new ATOM 0 HG21 ILE A 59 5.042 0.501 2.689 1.00 1.00 H new ATOM 0 HG22 ILE A 59 6.127 1.901 2.861 1.00 1.00 H new ATOM 0 HG23 ILE A 59 5.229 1.292 4.272 1.00 1.00 H new ATOM 0 HD11 ILE A 59 1.493 0.024 2.732 1.00 1.00 H new ATOM 0 HD12 ILE A 59 2.365 0.788 1.381 1.00 1.00 H new ATOM 0 HD13 ILE A 59 3.250 -0.204 2.564 1.00 1.00 H new ATOM 917 N LYS A 60 3.674 3.593 5.923 1.00 1.00 N ATOM 918 CA LYS A 60 3.943 3.384 7.338 1.00 1.00 C ATOM 919 C LYS A 60 2.928 2.371 7.854 1.00 1.00 C ATOM 920 O LYS A 60 1.720 2.604 7.788 1.00 1.00 O ATOM 921 CB LYS A 60 3.814 4.725 8.075 1.00 1.00 C ATOM 922 CG LYS A 60 4.181 4.562 9.561 1.00 1.00 C ATOM 923 CD LYS A 60 4.181 5.922 10.275 1.00 1.00 C ATOM 924 CE LYS A 60 4.587 5.735 11.744 1.00 1.00 C ATOM 925 NZ LYS A 60 5.982 5.215 11.799 1.00 1.00 N ATOM 0 H LYS A 60 2.686 3.729 5.708 1.00 1.00 H new ATOM 0 HA LYS A 60 4.951 3.004 7.504 1.00 1.00 H new ATOM 0 HB2 LYS A 60 4.467 5.465 7.612 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.794 5.099 7.985 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.470 3.892 10.045 1.00 1.00 H new ATOM 0 HG3 LYS A 60 5.164 4.100 9.649 1.00 1.00 H new ATOM 0 HD2 LYS A 60 4.873 6.603 9.780 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.191 6.375 10.216 1.00 1.00 H new ATOM 0 HE2 LYS A 60 4.517 6.683 12.278 1.00 1.00 H new ATOM 0 HE3 LYS A 60 3.907 5.041 12.237 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 6.390 5.415 12.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 5.976 4.188 11.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 6.554 5.679 11.065 1.00 1.00 H new ATOM 939 N TYR A 61 3.427 1.230 8.333 1.00 1.00 N ATOM 940 CA TYR A 61 2.581 0.145 8.829 1.00 1.00 C ATOM 941 C TYR A 61 3.193 -0.451 10.082 1.00 1.00 C ATOM 942 O TYR A 61 4.381 -0.261 10.340 1.00 1.00 O ATOM 943 CB TYR A 61 2.433 -0.929 7.750 1.00 1.00 C ATOM 944 CG TYR A 61 3.794 -1.523 7.375 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.338 -2.584 8.108 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.495 -1.020 6.271 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.570 -3.141 7.742 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.727 -1.573 5.901 1.00 1.00 C ATOM 949 CZ TYR A 61 6.266 -2.634 6.639 1.00 1.00 C ATOM 950 OH TYR A 61 7.480 -3.181 6.277 1.00 1.00 O ATOM 0 H TYR A 61 4.426 1.033 8.388 1.00 1.00 H new ATOM 0 HA TYR A 61 1.594 0.539 9.072 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.773 -1.720 8.107 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.964 -0.498 6.865 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.804 -2.976 8.961 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.082 -0.200 5.702 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.982 -3.961 8.311 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.261 -1.182 5.048 1.00 1.00 H new ATOM 0 HH TYR A 61 8.009 -3.365 7.081 1.00 1.00 H new ATOM 960 N LYS A 62 2.378 -1.182 10.857 1.00 1.00 N ATOM 961 CA LYS A 62 2.847 -1.828 12.093 1.00 1.00 C ATOM 962 C LYS A 62 2.687 -3.341 11.994 1.00 1.00 C ATOM 963 O LYS A 62 1.564 -3.848 11.978 1.00 1.00 O ATOM 964 CB LYS A 62 2.014 -1.309 13.287 1.00 1.00 C ATOM 965 CG LYS A 62 2.541 -1.894 14.622 1.00 1.00 C ATOM 966 CD LYS A 62 1.803 -1.262 15.823 1.00 1.00 C ATOM 967 CE LYS A 62 0.279 -1.573 15.786 1.00 1.00 C ATOM 968 NZ LYS A 62 -0.404 -0.557 14.937 1.00 1.00 N ATOM 0 H LYS A 62 1.392 -1.341 10.650 1.00 1.00 H new ATOM 0 HA LYS A 62 3.901 -1.590 12.238 1.00 1.00 H new ATOM 0 HB2 LYS A 62 2.057 -0.220 13.320 1.00 1.00 H new ATOM 0 HB3 LYS A 62 0.968 -1.583 13.153 1.00 1.00 H new ATOM 0 HG2 LYS A 62 2.402 -2.975 14.631 1.00 1.00 H new ATOM 0 HG3 LYS A 62 3.612 -1.709 14.708 1.00 1.00 H new ATOM 0 HD2 LYS A 62 2.230 -1.639 16.752 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.955 -0.183 15.817 1.00 1.00 H new ATOM 0 HE2 LYS A 62 0.109 -2.573 15.387 1.00 1.00 H new ATOM 0 HE3 LYS A 62 -0.133 -1.558 16.795 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -1.110 -0.048 15.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 0.298 0.118 14.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 -0.877 -1.031 14.141 1.00 1.00 H new ATOM 982 N HIS A 63 3.817 -4.061 11.956 1.00 1.00 N ATOM 983 CA HIS A 63 3.818 -5.526 11.898 1.00 1.00 C ATOM 984 C HIS A 63 4.249 -6.052 13.264 1.00 1.00 C ATOM 985 O HIS A 63 5.416 -5.940 13.640 1.00 1.00 O ATOM 986 CB HIS A 63 4.803 -6.009 10.812 1.00 1.00 C ATOM 987 CG HIS A 63 4.740 -7.514 10.714 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.529 -8.185 10.673 1.00 1.00 N ATOM 989 CD2 HIS A 63 5.712 -8.487 10.679 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.799 -9.499 10.614 1.00 1.00 C ATOM 991 NE2 HIS A 63 5.111 -9.744 10.616 1.00 1.00 N ATOM 0 H HIS A 63 4.749 -3.646 11.965 1.00 1.00 H new ATOM 0 HA HIS A 63 2.823 -5.895 11.648 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.552 -5.560 9.851 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.816 -5.691 11.057 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.776 -8.305 10.697 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.042 -10.268 10.570 1.00 1.00 H new ATOM 0 HE2 HIS A 63 5.573 -10.652 10.579 1.00 1.00 H new ATOM 1000 N GLY A 64 3.299 -6.608 14.009 1.00 1.00 N ATOM 1001 CA GLY A 64 3.586 -7.127 15.342 1.00 1.00 C ATOM 1002 C GLY A 64 3.819 -5.988 16.337 1.00 1.00 C ATOM 1003 O GLY A 64 2.910 -5.205 16.608 1.00 1.00 O ATOM 0 H GLY A 64 2.328 -6.711 13.714 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.756 -7.746 15.681 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.467 -7.768 15.305 1.00 1.00 H new ATOM 1007 N ASN A 65 5.047 -5.904 16.881 1.00 1.00 N ATOM 1008 CA ASN A 65 5.425 -4.860 17.860 1.00 1.00 C ATOM 1009 C ASN A 65 6.471 -3.905 17.282 1.00 1.00 C ATOM 1010 O ASN A 65 6.929 -2.996 17.978 1.00 1.00 O ATOM 1011 CB ASN A 65 5.994 -5.540 19.114 1.00 1.00 C ATOM 1012 CG ASN A 65 4.948 -6.478 19.716 1.00 1.00 C ATOM 1013 OD1 ASN A 65 5.287 -7.514 20.285 1.00 1.00 O ATOM 1014 ND2 ASN A 65 3.682 -6.179 19.627 1.00 1.00 N ATOM 0 H ASN A 65 5.803 -6.552 16.658 1.00 1.00 H new ATOM 0 HA ASN A 65 4.537 -4.278 18.107 1.00 1.00 H new ATOM 0 HB2 ASN A 65 6.893 -6.100 18.858 1.00 1.00 H new ATOM 0 HB3 ASN A 65 6.285 -4.787 19.847 1.00 1.00 H new ATOM 0 HD21 ASN A 65 2.981 -6.803 20.028 1.00 1.00 H new ATOM 0 HD22 ASN A 65 3.392 -5.322 19.157 1.00 1.00 H new ATOM 1021 N LYS A 66 6.855 -4.119 16.010 1.00 1.00 N ATOM 1022 CA LYS A 66 7.868 -3.280 15.327 1.00 1.00 C ATOM 1023 C LYS A 66 7.304 -2.684 14.026 1.00 1.00 C ATOM 1024 O LYS A 66 6.823 -3.399 13.147 1.00 1.00 O ATOM 1025 CB LYS A 66 9.133 -4.127 15.029 1.00 1.00 C ATOM 1026 CG LYS A 66 8.772 -5.389 14.222 1.00 1.00 C ATOM 1027 CD LYS A 66 10.025 -6.251 13.997 1.00 1.00 C ATOM 1028 CE LYS A 66 9.642 -7.517 13.219 1.00 1.00 C ATOM 1029 NZ LYS A 66 9.053 -7.130 11.904 1.00 1.00 N ATOM 0 H LYS A 66 6.479 -4.868 15.429 1.00 1.00 H new ATOM 0 HA LYS A 66 8.136 -2.453 15.985 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.854 -3.528 14.472 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.612 -4.414 15.965 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.015 -5.966 14.754 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.340 -5.105 13.262 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.775 -5.685 13.445 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.471 -6.521 14.954 1.00 1.00 H new ATOM 0 HE2 LYS A 66 10.521 -8.143 13.066 1.00 1.00 H new ATOM 0 HE3 LYS A 66 8.926 -8.107 13.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 9.105 -7.936 11.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 8.059 -6.855 12.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 9.584 -6.328 11.508 1.00 1.00 H new ATOM 1043 N ASN A 67 7.362 -1.346 13.920 1.00 1.00 N ATOM 1044 CA ASN A 67 6.880 -0.621 12.743 1.00 1.00 C ATOM 1045 C ASN A 67 8.065 -0.218 11.880 1.00 1.00 C ATOM 1046 O ASN A 67 9.132 0.119 12.388 1.00 1.00 O ATOM 1047 CB ASN A 67 6.073 0.618 13.168 1.00 1.00 C ATOM 1048 CG ASN A 67 6.935 1.604 13.957 1.00 1.00 C ATOM 1049 OD1 ASN A 67 7.978 1.246 14.502 1.00 1.00 O ATOM 1050 ND2 ASN A 67 6.552 2.848 14.056 1.00 1.00 N ATOM 0 H ASN A 67 7.744 -0.742 14.648 1.00 1.00 H new ATOM 0 HA ASN A 67 6.221 -1.269 12.165 1.00 1.00 H new ATOM 0 HB2 ASN A 67 5.670 1.112 12.284 1.00 1.00 H new ATOM 0 HB3 ASN A 67 5.223 0.309 13.776 1.00 1.00 H new ATOM 0 HD21 ASN A 67 7.116 3.515 14.582 1.00 1.00 H new ATOM 0 HD22 ASN A 67 5.688 3.153 13.607 1.00 1.00 H new ATOM 1057 N GLU A 68 7.862 -0.271 10.565 1.00 1.00 N ATOM 1058 CA GLU A 68 8.896 0.069 9.578 1.00 1.00 C ATOM 1059 C GLU A 68 8.317 1.042 8.557 1.00 1.00 C ATOM 1060 O GLU A 68 7.103 1.241 8.504 1.00 1.00 O ATOM 1061 CB GLU A 68 9.364 -1.212 8.867 1.00 1.00 C ATOM 1062 CG GLU A 68 9.919 -2.201 9.902 1.00 1.00 C ATOM 1063 CD GLU A 68 10.422 -3.466 9.213 1.00 1.00 C ATOM 1064 OE1 GLU A 68 9.745 -3.952 8.320 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.480 -3.941 9.588 1.00 1.00 O ATOM 0 H GLU A 68 6.974 -0.551 10.148 1.00 1.00 H new ATOM 0 HA GLU A 68 9.745 0.533 10.080 1.00 1.00 H new ATOM 0 HB2 GLU A 68 8.533 -1.664 8.326 1.00 1.00 H new ATOM 0 HB3 GLU A 68 10.131 -0.972 8.131 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.732 -1.736 10.460 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.143 -2.456 10.623 1.00 1.00 H new ATOM 1072 N GLU A 69 9.196 1.652 7.753 1.00 1.00 N ATOM 1073 CA GLU A 69 8.787 2.623 6.721 1.00 1.00 C ATOM 1074 C GLU A 69 9.547 2.339 5.424 1.00 1.00 C ATOM 1075 O GLU A 69 10.740 2.035 5.441 1.00 1.00 O ATOM 1076 CB GLU A 69 9.085 4.054 7.214 1.00 1.00 C ATOM 1077 CG GLU A 69 8.572 5.101 6.206 1.00 1.00 C ATOM 1078 CD GLU A 69 8.808 6.521 6.724 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.588 6.695 7.646 1.00 1.00 O ATOM 1080 OE2 GLU A 69 8.192 7.428 6.190 1.00 1.00 O ATOM 0 H GLU A 69 10.202 1.491 7.795 1.00 1.00 H new ATOM 0 HA GLU A 69 7.718 2.531 6.531 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.613 4.215 8.183 1.00 1.00 H new ATOM 0 HB3 GLU A 69 10.158 4.177 7.358 1.00 1.00 H new ATOM 0 HG2 GLU A 69 9.079 4.970 5.250 1.00 1.00 H new ATOM 0 HG3 GLU A 69 7.508 4.948 6.026 1.00 1.00 H new ATOM 1087 N ALA A 70 8.824 2.411 4.306 1.00 1.00 N ATOM 1088 CA ALA A 70 9.382 2.134 2.976 1.00 1.00 C ATOM 1089 C ALA A 70 8.672 2.969 1.918 1.00 1.00 C ATOM 1090 O ALA A 70 7.550 3.419 2.116 1.00 1.00 O ATOM 1091 CB ALA A 70 9.233 0.642 2.649 1.00 1.00 C ATOM 0 H ALA A 70 7.836 2.663 4.294 1.00 1.00 H new ATOM 0 HA ALA A 70 10.440 2.398 2.978 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.649 0.443 1.661 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.767 0.051 3.393 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.177 0.371 2.660 1.00 1.00 H new ATOM 1097 N SER A 71 9.348 3.179 0.791 1.00 1.00 N ATOM 1098 CA SER A 71 8.783 3.950 -0.332 1.00 1.00 C ATOM 1099 C SER A 71 8.779 3.067 -1.566 1.00 1.00 C ATOM 1100 O SER A 71 9.728 2.319 -1.798 1.00 1.00 O ATOM 1101 CB SER A 71 9.611 5.204 -0.602 1.00 1.00 C ATOM 1102 OG SER A 71 10.917 4.822 -1.006 1.00 1.00 O ATOM 0 H SER A 71 10.291 2.828 0.624 1.00 1.00 H new ATOM 0 HA SER A 71 7.769 4.261 -0.081 1.00 1.00 H new ATOM 0 HB2 SER A 71 9.139 5.806 -1.378 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.661 5.822 0.295 1.00 1.00 H new ATOM 0 HG SER A 71 11.452 5.624 -1.182 1.00 1.00 H new ATOM 1108 N ILE A 72 7.679 3.114 -2.332 1.00 1.00 N ATOM 1109 CA ILE A 72 7.520 2.273 -3.525 1.00 1.00 C ATOM 1110 C ILE A 72 6.954 3.096 -4.680 1.00 1.00 C ATOM 1111 O ILE A 72 6.072 3.929 -4.483 1.00 1.00 O ATOM 1112 CB ILE A 72 6.554 1.093 -3.204 1.00 1.00 C ATOM 1113 CG1 ILE A 72 6.996 0.351 -1.881 1.00 1.00 C ATOM 1114 CG2 ILE A 72 6.550 0.099 -4.396 1.00 1.00 C ATOM 1115 CD1 ILE A 72 6.289 0.931 -0.631 1.00 1.00 C ATOM 0 H ILE A 72 6.886 3.727 -2.145 1.00 1.00 H new ATOM 0 HA ILE A 72 8.495 1.881 -3.815 1.00 1.00 H new ATOM 0 HB ILE A 72 5.550 1.488 -3.051 1.00 1.00 H new ATOM 0 HG12 ILE A 72 6.768 -0.711 -1.967 1.00 1.00 H new ATOM 0 HG13 ILE A 72 8.076 0.437 -1.760 1.00 1.00 H new ATOM 0 HG21 ILE A 72 5.876 -0.729 -4.177 1.00 1.00 H new ATOM 0 HG22 ILE A 72 6.214 0.612 -5.297 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.558 -0.286 -4.552 1.00 1.00 H new ATOM 0 HD11 ILE A 72 6.621 0.393 0.257 1.00 1.00 H new ATOM 0 HD12 ILE A 72 6.538 1.987 -0.529 1.00 1.00 H new ATOM 0 HD13 ILE A 72 5.210 0.821 -0.740 1.00 1.00 H new ATOM 1127 N LYS A 73 7.463 2.848 -5.885 1.00 1.00 N ATOM 1128 CA LYS A 73 7.007 3.556 -7.071 1.00 1.00 C ATOM 1129 C LYS A 73 5.705 2.928 -7.556 1.00 1.00 C ATOM 1130 O LYS A 73 5.559 1.707 -7.568 1.00 1.00 O ATOM 1131 CB LYS A 73 8.087 3.445 -8.160 1.00 1.00 C ATOM 1132 CG LYS A 73 7.693 4.261 -9.401 1.00 1.00 C ATOM 1133 CD LYS A 73 8.809 4.175 -10.453 1.00 1.00 C ATOM 1134 CE LYS A 73 8.422 5.001 -11.684 1.00 1.00 C ATOM 1135 NZ LYS A 73 9.520 4.943 -12.685 1.00 1.00 N ATOM 0 H LYS A 73 8.194 2.159 -6.062 1.00 1.00 H new ATOM 0 HA LYS A 73 6.832 4.607 -6.843 1.00 1.00 H new ATOM 0 HB2 LYS A 73 9.041 3.803 -7.771 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.227 2.400 -8.435 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.759 3.882 -9.816 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.520 5.301 -9.124 1.00 1.00 H new ATOM 0 HD2 LYS A 73 9.745 4.544 -10.035 1.00 1.00 H new ATOM 0 HD3 LYS A 73 8.975 3.136 -10.738 1.00 1.00 H new ATOM 0 HE2 LYS A 73 7.499 4.616 -12.118 1.00 1.00 H new ATOM 0 HE3 LYS A 73 8.232 6.035 -11.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 9.258 5.504 -13.521 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 10.391 5.330 -12.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 9.681 3.955 -12.967 1.00 1.00 H new ATOM 1149 N LEU A 74 4.760 3.775 -7.938 1.00 1.00 N ATOM 1150 CA LEU A 74 3.461 3.309 -8.410 1.00 1.00 C ATOM 1151 C LEU A 74 3.618 2.598 -9.753 1.00 1.00 C ATOM 1152 O LEU A 74 4.451 2.974 -10.580 1.00 1.00 O ATOM 1153 CB LEU A 74 2.496 4.511 -8.547 1.00 1.00 C ATOM 1154 CG LEU A 74 1.938 4.962 -7.161 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.978 3.893 -6.533 1.00 1.00 C ATOM 1156 CD2 LEU A 74 3.105 5.276 -6.186 1.00 1.00 C ATOM 0 H LEU A 74 4.867 4.789 -7.931 1.00 1.00 H new ATOM 0 HA LEU A 74 3.047 2.603 -7.690 1.00 1.00 H new ATOM 0 HB2 LEU A 74 3.017 5.344 -9.019 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.668 4.241 -9.202 1.00 1.00 H new ATOM 0 HG LEU A 74 1.353 5.867 -7.326 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.615 4.251 -5.570 1.00 1.00 H new ATOM 0 HD12 LEU A 74 0.132 3.727 -7.200 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.518 2.957 -6.392 1.00 1.00 H new ATOM 0 HD21 LEU A 74 2.701 5.589 -5.223 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.716 4.383 -6.050 1.00 1.00 H new ATOM 0 HD23 LEU A 74 3.719 6.076 -6.599 1.00 1.00 H new ATOM 1168 N THR A 75 2.801 1.560 -9.949 1.00 1.00 N ATOM 1169 CA THR A 75 2.805 0.763 -11.175 1.00 1.00 C ATOM 1170 C THR A 75 1.372 0.436 -11.583 1.00 1.00 C ATOM 1171 O THR A 75 0.434 0.604 -10.804 1.00 1.00 O ATOM 1172 CB THR A 75 3.612 -0.523 -10.943 1.00 1.00 C ATOM 1173 OG1 THR A 75 3.003 -1.267 -9.893 1.00 1.00 O ATOM 1174 CG2 THR A 75 5.062 -0.165 -10.556 1.00 1.00 C ATOM 0 H THR A 75 2.117 1.249 -9.259 1.00 1.00 H new ATOM 0 HA THR A 75 3.271 1.329 -11.982 1.00 1.00 H new ATOM 0 HB THR A 75 3.627 -1.119 -11.856 1.00 1.00 H new ATOM 0 HG1 THR A 75 3.511 -2.091 -9.739 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.631 -1.080 -10.392 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.522 0.410 -11.360 1.00 1.00 H new ATOM 0 HG23 THR A 75 5.059 0.429 -9.642 1.00 1.00 H new ATOM 1182 N ALA A 76 1.225 -0.031 -12.819 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.081 -0.397 -13.386 1.00 1.00 C ATOM 1184 C ALA A 76 -0.326 -1.889 -13.193 1.00 1.00 C ATOM 1185 O ALA A 76 0.609 -2.689 -13.236 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.073 -0.071 -14.880 1.00 1.00 C ATOM 0 H ALA A 76 2.005 -0.169 -13.461 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.872 0.161 -12.884 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.036 -0.337 -15.316 1.00 1.00 H new ATOM 0 HB2 ALA A 76 0.106 0.995 -15.019 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.717 -0.638 -15.372 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.594 -2.260 -12.989 1.00 1.00 N ATOM 1193 CA ILE A 77 -1.977 -3.669 -12.798 1.00 1.00 C ATOM 1194 C ILE A 77 -3.347 -3.953 -13.423 1.00 1.00 C ATOM 1195 O ILE A 77 -3.614 -5.069 -13.870 1.00 1.00 O ATOM 1196 CB ILE A 77 -1.983 -4.039 -11.284 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.114 -3.305 -10.497 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -0.613 -3.715 -10.649 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -3.036 -1.769 -10.612 1.00 1.00 C ATOM 0 H ILE A 77 -2.376 -1.606 -12.951 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.236 -4.290 -13.302 1.00 1.00 H new ATOM 0 HB ILE A 77 -2.177 -5.110 -11.218 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.082 -3.642 -10.867 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -3.058 -3.587 -9.446 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -0.631 -3.978 -9.591 1.00 1.00 H new ATOM 0 HG22 ILE A 77 0.166 -4.288 -11.152 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -0.406 -2.650 -10.754 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.850 -1.320 -10.043 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -2.082 -1.422 -10.216 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.122 -1.478 -11.659 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.215 -2.929 -13.452 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.569 -3.047 -14.016 1.00 1.00 C ATOM 1213 C ASP A 78 -5.602 -2.481 -15.433 1.00 1.00 C ATOM 1214 O ASP A 78 -4.825 -1.596 -15.784 1.00 1.00 O ATOM 1215 CB ASP A 78 -6.566 -2.265 -13.136 1.00 1.00 C ATOM 1216 CG ASP A 78 -6.636 -2.872 -11.737 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.383 -4.059 -11.602 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -6.952 -2.152 -10.805 1.00 1.00 O ATOM 0 H ASP A 78 -4.000 -2.001 -13.087 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.846 -4.101 -14.044 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -6.261 -1.221 -13.071 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.555 -2.280 -13.595 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.510 -3.017 -16.235 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.685 -2.610 -17.630 1.00 1.00 C ATOM 1225 C LYS A 79 -6.768 -1.083 -17.795 1.00 1.00 C ATOM 1226 O LYS A 79 -6.438 -0.552 -18.856 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.978 -3.268 -18.154 1.00 1.00 C ATOM 1228 CG LYS A 79 -9.187 -2.849 -17.271 1.00 1.00 C ATOM 1229 CD LYS A 79 -10.506 -3.548 -17.735 1.00 1.00 C ATOM 1230 CE LYS A 79 -10.642 -4.961 -17.126 1.00 1.00 C ATOM 1231 NZ LYS A 79 -10.692 -4.858 -15.638 1.00 1.00 N ATOM 0 H LYS A 79 -7.152 -3.752 -15.939 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.815 -2.935 -18.200 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.153 -2.971 -19.188 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.872 -4.353 -18.147 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -8.985 -3.105 -16.231 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.313 -1.767 -17.314 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -11.363 -2.941 -17.443 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -10.520 -3.617 -18.823 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -11.545 -5.444 -17.498 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -9.800 -5.583 -17.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -11.522 -5.373 -15.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -9.828 -5.271 -15.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -10.760 -3.858 -15.361 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.230 -0.389 -16.752 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.383 1.078 -16.786 1.00 1.00 C ATOM 1247 C LYS A 80 -6.138 1.782 -16.238 1.00 1.00 C ATOM 1248 O LYS A 80 -6.152 2.991 -16.006 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.640 1.479 -15.979 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.623 0.818 -14.576 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.725 1.428 -13.672 1.00 1.00 C ATOM 1252 CE LYS A 80 -11.133 1.188 -14.260 1.00 1.00 C ATOM 1253 NZ LYS A 80 -12.159 1.477 -13.219 1.00 1.00 N ATOM 0 H LYS A 80 -7.507 -0.816 -15.868 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.502 1.394 -17.822 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.681 2.563 -15.875 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.537 1.176 -16.519 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.778 -0.257 -14.672 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.646 0.959 -14.113 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.665 0.989 -12.676 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -9.554 2.499 -13.559 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -11.290 1.827 -15.129 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -11.226 0.157 -14.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.108 1.316 -13.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.012 0.849 -12.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -12.074 2.468 -12.914 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.060 1.027 -16.052 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.813 1.603 -15.558 1.00 1.00 C ATOM 1269 C GLY A 81 -4.007 2.319 -14.226 1.00 1.00 C ATOM 1270 O GLY A 81 -3.460 3.402 -14.016 1.00 1.00 O ATOM 0 H GLY A 81 -5.023 0.024 -16.234 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.070 0.814 -15.442 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.420 2.305 -16.294 1.00 1.00 H new ATOM 1274 N THR A 82 -4.793 1.723 -13.322 1.00 1.00 N ATOM 1275 CA THR A 82 -5.041 2.348 -12.017 1.00 1.00 C ATOM 1276 C THR A 82 -3.848 2.076 -11.064 1.00 1.00 C ATOM 1277 O THR A 82 -3.558 0.913 -10.793 1.00 1.00 O ATOM 1278 CB THR A 82 -6.340 1.780 -11.386 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.456 2.285 -12.108 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.482 2.230 -9.910 1.00 1.00 C ATOM 0 H THR A 82 -5.260 0.827 -13.464 1.00 1.00 H new ATOM 0 HA THR A 82 -5.153 3.422 -12.164 1.00 1.00 H new ATOM 0 HB THR A 82 -6.298 0.692 -11.427 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.228 2.357 -11.509 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.400 1.819 -9.491 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.628 1.870 -9.336 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.518 3.318 -9.863 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.186 3.085 -10.504 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.068 2.842 -9.530 1.00 1.00 C ATOM 1290 C PRO A 83 -2.506 1.885 -8.406 1.00 1.00 C ATOM 1291 O PRO A 83 -3.531 2.110 -7.764 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.770 4.255 -8.959 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.220 5.199 -10.029 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.405 4.530 -10.735 1.00 1.00 C ATOM 0 HA PRO A 83 -1.200 2.375 -9.996 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.308 4.427 -8.027 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.709 4.379 -8.742 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.515 6.157 -9.601 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.413 5.399 -10.733 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.357 4.861 -10.320 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.422 4.767 -11.799 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.744 0.815 -8.189 1.00 1.00 N ATOM 1303 CA GLY A 84 -2.089 -0.176 -7.148 1.00 1.00 C ATOM 1304 C GLY A 84 -0.859 -0.853 -6.581 1.00 1.00 C ATOM 1305 O GLY A 84 -0.947 -1.518 -5.551 1.00 1.00 O ATOM 0 H GLY A 84 -0.892 0.605 -8.708 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.635 0.318 -6.344 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.755 -0.928 -7.570 1.00 1.00 H new ATOM 1309 N ILE A 85 0.272 -0.688 -7.260 1.00 1.00 N ATOM 1310 CA ILE A 85 1.542 -1.287 -6.834 1.00 1.00 C ATOM 1311 C ILE A 85 1.488 -2.823 -6.920 1.00 1.00 C ATOM 1312 O ILE A 85 2.510 -3.460 -7.147 1.00 1.00 O ATOM 1313 CB ILE A 85 1.912 -0.855 -5.382 1.00 1.00 C ATOM 1314 CG1 ILE A 85 1.817 0.690 -5.240 1.00 1.00 C ATOM 1315 CG2 ILE A 85 3.352 -1.309 -5.041 1.00 1.00 C ATOM 1316 CD1 ILE A 85 1.983 1.110 -3.769 1.00 1.00 C ATOM 0 H ILE A 85 0.339 -0.139 -8.117 1.00 1.00 H new ATOM 0 HA ILE A 85 2.313 -0.924 -7.514 1.00 1.00 H new ATOM 0 HB ILE A 85 1.210 -1.326 -4.694 1.00 1.00 H new ATOM 0 HG12 ILE A 85 2.587 1.165 -5.848 1.00 1.00 H new ATOM 0 HG13 ILE A 85 0.855 1.037 -5.616 1.00 1.00 H new ATOM 0 HG21 ILE A 85 3.599 -1.002 -4.025 1.00 1.00 H new ATOM 0 HG22 ILE A 85 3.419 -2.394 -5.119 1.00 1.00 H new ATOM 0 HG23 ILE A 85 4.053 -0.851 -5.739 1.00 1.00 H new ATOM 0 HD11 ILE A 85 1.913 2.195 -3.690 1.00 1.00 H new ATOM 0 HD12 ILE A 85 1.197 0.652 -3.169 1.00 1.00 H new ATOM 0 HD13 ILE A 85 2.956 0.781 -3.404 1.00 1.00 H new ATOM 1328 N GLY A 86 0.290 -3.408 -6.735 1.00 1.00 N ATOM 1329 CA GLY A 86 0.095 -4.871 -6.777 1.00 1.00 C ATOM 1330 C GLY A 86 -0.338 -5.389 -5.415 1.00 1.00 C ATOM 1331 O GLY A 86 0.071 -6.470 -4.990 1.00 1.00 O ATOM 0 H GLY A 86 -0.566 -2.884 -6.553 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -0.658 -5.122 -7.524 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.021 -5.359 -7.081 1.00 1.00 H new ATOM 1335 N ILE A 87 -1.180 -4.602 -4.733 1.00 1.00 N ATOM 1336 CA ILE A 87 -1.700 -4.961 -3.402 1.00 1.00 C ATOM 1337 C ILE A 87 -3.166 -4.559 -3.281 1.00 1.00 C ATOM 1338 O ILE A 87 -3.663 -3.749 -4.062 1.00 1.00 O ATOM 1339 CB ILE A 87 -0.881 -4.266 -2.288 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -0.983 -2.711 -2.408 1.00 1.00 C ATOM 1341 CG2 ILE A 87 0.596 -4.693 -2.396 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -0.366 -2.047 -1.179 1.00 1.00 C ATOM 0 H ILE A 87 -1.519 -3.706 -5.082 1.00 1.00 H new ATOM 0 HA ILE A 87 -1.611 -6.041 -3.284 1.00 1.00 H new ATOM 0 HB ILE A 87 -1.287 -4.566 -1.322 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -0.470 -2.374 -3.309 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -2.027 -2.414 -2.506 1.00 1.00 H new ATOM 0 HG21 ILE A 87 1.174 -4.204 -1.612 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.671 -5.774 -2.282 1.00 1.00 H new ATOM 0 HG23 ILE A 87 0.988 -4.403 -3.371 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -0.443 -0.964 -1.274 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -0.898 -2.372 -0.285 1.00 1.00 H new ATOM 0 HD13 ILE A 87 0.683 -2.331 -1.100 1.00 1.00 H new ATOM 1354 N THR A 88 -3.835 -5.116 -2.275 1.00 1.00 N ATOM 1355 CA THR A 88 -5.246 -4.818 -2.001 1.00 1.00 C ATOM 1356 C THR A 88 -5.433 -4.572 -0.514 1.00 1.00 C ATOM 1357 O THR A 88 -4.994 -5.370 0.302 1.00 1.00 O ATOM 1358 CB THR A 88 -6.115 -5.991 -2.460 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.487 -5.678 -2.264 1.00 1.00 O ATOM 1360 CG2 THR A 88 -5.768 -7.282 -1.703 1.00 1.00 C ATOM 0 H THR A 88 -3.420 -5.785 -1.626 1.00 1.00 H new ATOM 0 HA THR A 88 -5.545 -3.923 -2.547 1.00 1.00 H new ATOM 0 HB THR A 88 -5.919 -6.158 -3.519 1.00 1.00 H new ATOM 0 HG1 THR A 88 -8.040 -6.431 -2.561 1.00 1.00 H new ATOM 0 HG21 THR A 88 -6.405 -8.093 -2.056 1.00 1.00 H new ATOM 0 HG22 THR A 88 -4.723 -7.538 -1.880 1.00 1.00 H new ATOM 0 HG23 THR A 88 -5.929 -7.132 -0.635 1.00 1.00 H new ATOM 1368 N LEU A 89 -6.091 -3.462 -0.180 1.00 1.00 N ATOM 1369 CA LEU A 89 -6.356 -3.080 1.212 1.00 1.00 C ATOM 1370 C LEU A 89 -7.834 -3.320 1.500 1.00 1.00 C ATOM 1371 O LEU A 89 -8.694 -2.968 0.689 1.00 1.00 O ATOM 1372 CB LEU A 89 -5.998 -1.593 1.439 1.00 1.00 C ATOM 1373 CG LEU A 89 -4.531 -1.275 0.990 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -3.512 -2.245 1.657 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -4.374 -1.302 -0.573 1.00 1.00 C ATOM 0 H LEU A 89 -6.456 -2.800 -0.865 1.00 1.00 H new ATOM 0 HA LEU A 89 -5.743 -3.678 1.886 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -6.693 -0.963 0.884 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -6.117 -1.347 2.494 1.00 1.00 H new ATOM 0 HG LEU A 89 -4.312 -0.262 1.326 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -2.504 -1.998 1.325 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -3.572 -2.146 2.741 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -3.746 -3.271 1.373 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -3.341 -1.076 -0.839 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -4.637 -2.291 -0.948 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -5.034 -0.558 -1.018 1.00 1.00 H new ATOM 1387 N VAL A 90 -8.135 -3.919 2.653 1.00 1.00 N ATOM 1388 CA VAL A 90 -9.513 -4.209 3.044 1.00 1.00 C ATOM 1389 C VAL A 90 -9.575 -4.288 4.566 1.00 1.00 C ATOM 1390 O VAL A 90 -8.768 -4.976 5.164 1.00 1.00 O ATOM 1391 CB VAL A 90 -9.933 -5.577 2.431 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -11.279 -6.067 3.035 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -10.041 -5.468 0.875 1.00 1.00 C ATOM 0 H VAL A 90 -7.437 -4.214 3.336 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.186 -3.430 2.686 1.00 1.00 H new ATOM 0 HB VAL A 90 -9.164 -6.309 2.677 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.550 -7.024 2.590 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -11.172 -6.185 4.113 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -12.060 -5.336 2.825 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -10.335 -6.433 0.462 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -10.788 -4.718 0.614 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -9.075 -5.177 0.463 1.00 1.00 H new