USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 483 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 Single : A 9 TYR OH : rot -28:sc= -0.792 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0315) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 33 THR OG1 : rot 145:sc= -1.71! USER MOD Single : A 36 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.9!) USER MOD Single : A 66 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.3!) USER MOD Single : A 67 MET CE :methyl -153:sc= -0.342 (180deg=-1.65!) USER MOD Single : A 68 ASN : amide:sc= -1.09 K(o=-1.1,f=-3!) USER MOD Single : A 70 SER OG : rot 135:sc= 0.889 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 7 1.142 9.870 -0.876 1.00 0.00 N ATOM 96 CA VAL A 7 1.466 8.509 -0.487 1.00 0.00 C ATOM 97 C VAL A 7 0.554 8.026 0.634 1.00 0.00 C ATOM 98 O VAL A 7 0.323 8.737 1.611 1.00 0.00 O ATOM 99 CB VAL A 7 2.931 8.384 -0.026 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.867 8.299 -1.222 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.318 9.543 0.884 1.00 0.00 C ATOM 0 HA VAL A 7 1.317 7.888 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 7 3.027 7.462 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.896 8.211 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.612 7.426 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.765 9.199 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.357 9.430 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.200 10.483 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.674 9.546 1.764 1.00 0.00 H new ATOM 111 N LEU A 8 0.044 6.806 0.494 1.00 0.00 N ATOM 112 CA LEU A 8 -0.835 6.225 1.502 1.00 0.00 C ATOM 113 C LEU A 8 -0.217 4.965 2.093 1.00 0.00 C ATOM 114 O LEU A 8 0.634 4.333 1.469 1.00 0.00 O ATOM 115 CB LEU A 8 -2.200 5.881 0.907 1.00 0.00 C ATOM 116 CG LEU A 8 -2.803 6.937 -0.016 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.918 6.326 -0.849 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.317 8.123 0.794 1.00 0.00 C ATOM 0 H LEU A 8 0.225 6.201 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.966 6.968 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.109 4.948 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.897 5.698 1.725 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.028 7.300 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.342 7.087 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.517 5.511 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.696 5.941 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.743 8.866 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.083 7.783 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.492 8.568 1.350 1.00 0.00 H new ATOM 130 N TYR A 9 -0.662 4.591 3.286 1.00 0.00 N ATOM 131 CA TYR A 9 -0.149 3.389 3.936 1.00 0.00 C ATOM 132 C TYR A 9 -1.219 2.313 3.984 1.00 0.00 C ATOM 133 O TYR A 9 -2.367 2.590 4.309 1.00 0.00 O ATOM 134 CB TYR A 9 0.332 3.696 5.358 1.00 0.00 C ATOM 135 CG TYR A 9 1.146 2.574 5.976 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.577 1.327 6.226 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.484 2.758 6.302 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.321 0.303 6.781 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.231 1.738 6.859 1.00 0.00 C ATOM 140 CZ TYR A 9 2.646 0.514 7.097 1.00 0.00 C ATOM 141 OH TYR A 9 3.389 -0.506 7.651 1.00 0.00 O ATOM 0 H TYR A 9 -1.370 5.096 3.820 1.00 0.00 H new ATOM 0 HA TYR A 9 0.697 3.030 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.934 4.605 5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.533 3.898 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.461 1.158 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.948 3.715 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.866 -0.659 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.270 1.900 7.107 1.00 0.00 H new ATOM 0 HH TYR A 9 2.798 -1.106 8.153 1.00 0.00 H new ATOM 151 N VAL A 10 -0.838 1.079 3.677 1.00 0.00 N ATOM 152 CA VAL A 10 -1.781 -0.031 3.711 1.00 0.00 C ATOM 153 C VAL A 10 -1.472 -0.934 4.899 1.00 0.00 C ATOM 154 O VAL A 10 -0.353 -1.429 5.040 1.00 0.00 O ATOM 155 CB VAL A 10 -1.734 -0.853 2.407 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.810 -1.930 2.412 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.892 0.056 1.196 1.00 0.00 C ATOM 0 H VAL A 10 0.111 0.823 3.404 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.784 0.383 3.813 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.762 -1.342 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.760 -2.499 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.650 -2.600 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.791 -1.464 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.856 -0.542 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.849 0.574 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.084 0.787 1.182 1.00 0.00 H new ATOM 167 N GLY A 11 -2.463 -1.133 5.766 1.00 0.00 N ATOM 168 CA GLY A 11 -2.261 -1.959 6.943 1.00 0.00 C ATOM 169 C GLY A 11 -3.234 -3.117 7.036 1.00 0.00 C ATOM 170 O GLY A 11 -4.442 -2.915 7.160 1.00 0.00 O ATOM 0 H GLY A 11 -3.399 -0.738 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.243 -2.348 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.358 -1.339 7.834 1.00 0.00 H new ATOM 174 N GLY A 12 -2.702 -4.333 6.963 1.00 0.00 N ATOM 175 CA GLY A 12 -3.528 -5.521 7.025 1.00 0.00 C ATOM 176 C GLY A 12 -3.379 -6.330 5.762 1.00 0.00 C ATOM 177 O GLY A 12 -4.362 -6.682 5.107 1.00 0.00 O ATOM 0 H GLY A 12 -1.704 -4.516 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.244 -6.125 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.572 -5.239 7.163 1.00 0.00 H new ATOM 181 N LEU A 13 -2.128 -6.584 5.404 1.00 0.00 N ATOM 182 CA LEU A 13 -1.805 -7.311 4.192 1.00 0.00 C ATOM 183 C LEU A 13 -1.302 -8.723 4.484 1.00 0.00 C ATOM 184 O LEU A 13 -1.273 -9.167 5.632 1.00 0.00 O ATOM 185 CB LEU A 13 -0.721 -6.554 3.431 1.00 0.00 C ATOM 186 CG LEU A 13 -1.155 -5.264 2.732 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.059 -4.500 2.215 1.00 0.00 C ATOM 188 CD2 LEU A 13 -2.122 -5.566 1.594 1.00 0.00 C ATOM 0 H LEU A 13 -1.314 -6.292 5.945 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.718 -7.393 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.080 -6.311 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.299 -7.223 2.681 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.671 -4.638 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.270 -3.586 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.712 -4.247 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.604 -5.121 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.418 -4.635 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.635 -6.214 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.006 -6.066 1.991 1.00 0.00 H new ATOM 200 N ALA A 14 -0.880 -9.407 3.423 1.00 0.00 N ATOM 201 CA ALA A 14 -0.340 -10.755 3.525 1.00 0.00 C ATOM 202 C ALA A 14 0.930 -10.867 2.683 1.00 0.00 C ATOM 203 O ALA A 14 1.482 -9.858 2.246 1.00 0.00 O ATOM 204 CB ALA A 14 -1.372 -11.781 3.079 1.00 0.00 C ATOM 0 H ALA A 14 -0.904 -9.041 2.471 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.092 -10.959 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.949 -12.782 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.256 -11.706 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.650 -11.590 2.043 1.00 0.00 H new ATOM 210 N GLU A 15 1.394 -12.090 2.459 1.00 0.00 N ATOM 211 CA GLU A 15 2.600 -12.311 1.667 1.00 0.00 C ATOM 212 C GLU A 15 2.294 -12.318 0.168 1.00 0.00 C ATOM 213 O GLU A 15 3.201 -12.452 -0.654 1.00 0.00 O ATOM 214 CB GLU A 15 3.253 -13.640 2.054 1.00 0.00 C ATOM 215 CG GLU A 15 3.928 -13.620 3.413 1.00 0.00 C ATOM 216 CD GLU A 15 4.005 -15.000 4.037 1.00 0.00 C ATOM 217 OE1 GLU A 15 3.026 -15.764 3.910 1.00 0.00 O ATOM 218 OE2 GLU A 15 5.046 -15.317 4.651 1.00 0.00 O ATOM 0 H GLU A 15 0.957 -12.941 2.812 1.00 0.00 H new ATOM 0 HA GLU A 15 3.284 -11.488 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.494 -14.422 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.991 -13.905 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.934 -13.213 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.380 -12.953 4.079 1.00 0.00 H new ATOM 225 N GLU A 16 1.017 -12.193 -0.184 1.00 0.00 N ATOM 226 CA GLU A 16 0.603 -12.207 -1.586 1.00 0.00 C ATOM 227 C GLU A 16 0.663 -10.813 -2.214 1.00 0.00 C ATOM 228 O GLU A 16 0.904 -10.675 -3.412 1.00 0.00 O ATOM 229 CB GLU A 16 -0.823 -12.763 -1.718 1.00 0.00 C ATOM 230 CG GLU A 16 -1.282 -13.575 -0.517 1.00 0.00 C ATOM 231 CD GLU A 16 -2.436 -14.502 -0.840 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.325 -15.271 -1.819 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.452 -14.460 -0.116 1.00 0.00 O ATOM 0 H GLU A 16 0.251 -12.081 0.481 1.00 0.00 H new ATOM 0 HA GLU A 16 1.302 -12.851 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.513 -11.933 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.877 -13.388 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.445 -14.163 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.580 -12.896 0.282 1.00 0.00 H new ATOM 240 N VAL A 17 0.420 -9.788 -1.406 1.00 0.00 N ATOM 241 CA VAL A 17 0.422 -8.420 -1.889 1.00 0.00 C ATOM 242 C VAL A 17 1.828 -7.917 -2.184 1.00 0.00 C ATOM 243 O VAL A 17 2.789 -8.246 -1.491 1.00 0.00 O ATOM 244 CB VAL A 17 -0.249 -7.470 -0.883 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.595 -7.344 0.372 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.499 -6.104 -1.509 1.00 0.00 C ATOM 0 H VAL A 17 0.219 -9.883 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.147 -8.426 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.215 -7.892 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.106 -6.668 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.710 -8.325 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.577 -6.948 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.974 -5.450 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.450 -5.668 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.152 -6.215 -2.375 1.00 0.00 H new ATOM 256 N ASP A 18 1.913 -7.112 -3.225 1.00 0.00 N ATOM 257 CA ASP A 18 3.167 -6.523 -3.665 1.00 0.00 C ATOM 258 C ASP A 18 2.893 -5.251 -4.462 1.00 0.00 C ATOM 259 O ASP A 18 1.742 -4.854 -4.644 1.00 0.00 O ATOM 260 CB ASP A 18 3.958 -7.520 -4.521 1.00 0.00 C ATOM 261 CG ASP A 18 5.373 -7.726 -4.015 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.998 -6.736 -3.580 1.00 0.00 O ATOM 263 OD2 ASP A 18 5.856 -8.876 -4.053 1.00 0.00 O ATOM 0 H ASP A 18 1.110 -6.845 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 18 3.762 -6.273 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.437 -8.477 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.992 -7.163 -5.550 1.00 0.00 H new ATOM 268 N ASP A 19 3.955 -4.626 -4.942 1.00 0.00 N ATOM 269 CA ASP A 19 3.838 -3.407 -5.726 1.00 0.00 C ATOM 270 C ASP A 19 3.074 -3.677 -7.016 1.00 0.00 C ATOM 271 O ASP A 19 2.397 -2.803 -7.553 1.00 0.00 O ATOM 272 CB ASP A 19 5.237 -2.866 -6.044 1.00 0.00 C ATOM 273 CG ASP A 19 5.218 -1.592 -6.872 1.00 0.00 C ATOM 274 OD1 ASP A 19 4.210 -1.338 -7.562 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.217 -0.844 -6.825 1.00 0.00 O ATOM 0 H ASP A 19 4.914 -4.945 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 19 3.287 -2.664 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.766 -2.676 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.801 -3.630 -6.579 1.00 0.00 H new ATOM 280 N LYS A 20 3.206 -4.896 -7.510 1.00 0.00 N ATOM 281 CA LYS A 20 2.560 -5.304 -8.746 1.00 0.00 C ATOM 282 C LYS A 20 1.043 -5.351 -8.614 1.00 0.00 C ATOM 283 O LYS A 20 0.317 -4.830 -9.460 1.00 0.00 O ATOM 284 CB LYS A 20 3.097 -6.677 -9.159 1.00 0.00 C ATOM 285 CG LYS A 20 2.515 -7.847 -8.373 1.00 0.00 C ATOM 286 CD LYS A 20 3.182 -9.163 -8.750 1.00 0.00 C ATOM 287 CE LYS A 20 3.396 -10.051 -7.535 1.00 0.00 C ATOM 288 NZ LYS A 20 2.112 -10.389 -6.862 1.00 0.00 N ATOM 0 H LYS A 20 3.762 -5.628 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 20 2.790 -4.562 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.891 -6.830 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.181 -6.680 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.641 -7.667 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.443 -7.915 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.566 -9.687 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.141 -8.962 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.899 -10.969 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.055 -9.547 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.287 -11.089 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.702 -9.529 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.449 -10.786 -7.558 1.00 0.00 H new ATOM 302 N VAL A 21 0.575 -5.986 -7.552 1.00 0.00 N ATOM 303 CA VAL A 21 -0.854 -6.115 -7.308 1.00 0.00 C ATOM 304 C VAL A 21 -1.457 -4.789 -6.883 1.00 0.00 C ATOM 305 O VAL A 21 -2.513 -4.389 -7.369 1.00 0.00 O ATOM 306 CB VAL A 21 -1.156 -7.196 -6.255 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.107 -6.620 -4.855 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.502 -7.855 -6.526 1.00 0.00 C ATOM 0 H VAL A 21 1.165 -6.422 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.312 -6.422 -8.248 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.384 -7.962 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.324 -7.405 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.114 -6.214 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.848 -5.826 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.694 -8.615 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.289 -7.102 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.488 -8.320 -7.512 1.00 0.00 H new ATOM 318 N LEU A 22 -0.769 -4.109 -5.974 1.00 0.00 N ATOM 319 CA LEU A 22 -1.230 -2.822 -5.485 1.00 0.00 C ATOM 320 C LEU A 22 -1.307 -1.858 -6.647 1.00 0.00 C ATOM 321 O LEU A 22 -2.233 -1.055 -6.748 1.00 0.00 O ATOM 322 CB LEU A 22 -0.286 -2.282 -4.408 1.00 0.00 C ATOM 323 CG LEU A 22 -0.430 -2.946 -3.033 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.937 -3.271 -2.443 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.222 -2.057 -2.084 1.00 0.00 C ATOM 0 H LEU A 22 0.108 -4.429 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.217 -2.938 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.741 -2.407 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.458 -1.211 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.977 -3.880 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.810 -3.741 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.468 -3.952 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.513 -2.352 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.312 -2.548 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.706 -1.105 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.216 -1.881 -2.495 1.00 0.00 H new ATOM 337 N HIS A 23 -0.339 -1.967 -7.542 1.00 0.00 N ATOM 338 CA HIS A 23 -0.305 -1.128 -8.721 1.00 0.00 C ATOM 339 C HIS A 23 -1.583 -1.318 -9.534 1.00 0.00 C ATOM 340 O HIS A 23 -2.300 -0.361 -9.818 1.00 0.00 O ATOM 341 CB HIS A 23 0.924 -1.492 -9.560 1.00 0.00 C ATOM 342 CG HIS A 23 0.975 -0.812 -10.895 1.00 0.00 C ATOM 343 ND1 HIS A 23 1.010 -1.499 -12.090 1.00 0.00 N ATOM 344 CD2 HIS A 23 1.005 0.504 -11.218 1.00 0.00 C ATOM 345 CE1 HIS A 23 1.061 -0.636 -13.090 1.00 0.00 C ATOM 346 NE2 HIS A 23 1.058 0.585 -12.587 1.00 0.00 N ATOM 0 H HIS A 23 0.433 -2.630 -7.471 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.240 -0.081 -8.426 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.823 -1.236 -8.999 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.940 -2.571 -9.713 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.990 1.334 -10.527 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.099 -0.887 -14.140 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.090 1.449 -13.128 1.00 0.00 H new ATOM 355 N ALA A 24 -1.859 -2.567 -9.887 1.00 0.00 N ATOM 356 CA ALA A 24 -3.050 -2.922 -10.657 1.00 0.00 C ATOM 357 C ALA A 24 -4.344 -2.727 -9.864 1.00 0.00 C ATOM 358 O ALA A 24 -5.337 -2.225 -10.389 1.00 0.00 O ATOM 359 CB ALA A 24 -2.948 -4.361 -11.135 1.00 0.00 C ATOM 0 H ALA A 24 -1.267 -3.363 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.092 -2.247 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.839 -4.618 -11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.066 -4.473 -11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.866 -5.025 -10.275 1.00 0.00 H new ATOM 365 N ALA A 25 -4.336 -3.166 -8.609 1.00 0.00 N ATOM 366 CA ALA A 25 -5.515 -3.083 -7.750 1.00 0.00 C ATOM 367 C ALA A 25 -5.874 -1.658 -7.369 1.00 0.00 C ATOM 368 O ALA A 25 -7.051 -1.335 -7.205 1.00 0.00 O ATOM 369 CB ALA A 25 -5.309 -3.908 -6.493 1.00 0.00 C ATOM 0 H ALA A 25 -3.521 -3.586 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.348 -3.482 -8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.195 -3.837 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.140 -4.950 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.444 -3.530 -5.948 1.00 0.00 H new ATOM 375 N PHE A 26 -4.875 -0.811 -7.197 1.00 0.00 N ATOM 376 CA PHE A 26 -5.132 0.565 -6.802 1.00 0.00 C ATOM 377 C PHE A 26 -5.213 1.504 -8.004 1.00 0.00 C ATOM 378 O PHE A 26 -5.635 2.652 -7.868 1.00 0.00 O ATOM 379 CB PHE A 26 -4.072 1.035 -5.808 1.00 0.00 C ATOM 380 CG PHE A 26 -4.162 0.352 -4.470 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.072 -1.029 -4.365 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.330 1.098 -3.315 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.150 -1.649 -3.131 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.407 0.485 -2.081 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.317 -0.890 -1.987 1.00 0.00 C ATOM 0 H PHE A 26 -3.890 -1.046 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.107 0.593 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.083 0.858 -6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.170 2.111 -5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.940 -1.625 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.402 2.174 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.081 -2.724 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.538 1.080 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.377 -1.371 -1.022 1.00 0.00 H new ATOM 395 N ILE A 27 -4.821 1.023 -9.185 1.00 0.00 N ATOM 396 CA ILE A 27 -4.875 1.851 -10.385 1.00 0.00 C ATOM 397 C ILE A 27 -6.310 2.315 -10.674 1.00 0.00 C ATOM 398 O ILE A 27 -6.517 3.477 -11.029 1.00 0.00 O ATOM 399 CB ILE A 27 -4.252 1.149 -11.626 1.00 0.00 C ATOM 400 CG1 ILE A 27 -3.618 2.189 -12.545 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.254 0.306 -12.401 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.184 2.501 -12.188 1.00 0.00 C ATOM 0 H ILE A 27 -4.468 0.078 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.264 2.731 -10.184 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.490 0.464 -11.254 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.660 1.830 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.204 3.107 -12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.758 -0.157 -13.254 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.656 -0.470 -11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.067 0.940 -12.755 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.791 3.247 -12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.139 2.889 -11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.586 1.592 -12.257 1.00 0.00 H new ATOM 414 N PRO A 28 -7.335 1.442 -10.506 1.00 0.00 N ATOM 415 CA PRO A 28 -8.725 1.841 -10.743 1.00 0.00 C ATOM 416 C PRO A 28 -9.129 2.972 -9.810 1.00 0.00 C ATOM 417 O PRO A 28 -9.823 3.907 -10.209 1.00 0.00 O ATOM 418 CB PRO A 28 -9.535 0.575 -10.442 1.00 0.00 C ATOM 419 CG PRO A 28 -8.641 -0.260 -9.595 1.00 0.00 C ATOM 420 CD PRO A 28 -7.245 0.035 -10.063 1.00 0.00 C ATOM 0 HA PRO A 28 -8.886 2.211 -11.756 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.462 0.814 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.810 0.054 -11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.760 -0.015 -8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.875 -1.319 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.516 -0.091 -9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.943 -0.626 -10.876 1.00 0.00 H new ATOM 428 N PHE A 29 -8.665 2.891 -8.567 1.00 0.00 N ATOM 429 CA PHE A 29 -8.951 3.921 -7.579 1.00 0.00 C ATOM 430 C PHE A 29 -8.136 5.172 -7.891 1.00 0.00 C ATOM 431 O PHE A 29 -8.506 6.282 -7.511 1.00 0.00 O ATOM 432 CB PHE A 29 -8.627 3.434 -6.157 1.00 0.00 C ATOM 433 CG PHE A 29 -8.822 1.957 -5.944 1.00 0.00 C ATOM 434 CD1 PHE A 29 -9.868 1.281 -6.551 1.00 0.00 C ATOM 435 CD2 PHE A 29 -7.955 1.245 -5.129 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.043 -0.077 -6.353 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.124 -0.110 -4.928 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.168 -0.773 -5.541 1.00 0.00 C ATOM 0 H PHE A 29 -8.090 2.123 -8.222 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.015 4.152 -7.626 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.592 3.688 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.254 3.976 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.555 1.821 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.137 1.758 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.862 -0.592 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.440 -0.651 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.301 -1.834 -5.386 1.00 0.00 H new ATOM 448 N GLY A 30 -7.018 4.975 -8.588 1.00 0.00 N ATOM 449 CA GLY A 30 -6.156 6.079 -8.945 1.00 0.00 C ATOM 450 C GLY A 30 -4.816 5.600 -9.455 1.00 0.00 C ATOM 451 O GLY A 30 -4.139 4.811 -8.796 1.00 0.00 O ATOM 0 H GLY A 30 -6.697 4.062 -8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.640 6.686 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.007 6.720 -8.076 1.00 0.00 H new ATOM 455 N ASP A 31 -4.439 6.059 -10.639 1.00 0.00 N ATOM 456 CA ASP A 31 -3.179 5.654 -11.246 1.00 0.00 C ATOM 457 C ASP A 31 -2.003 5.907 -10.314 1.00 0.00 C ATOM 458 O ASP A 31 -1.575 7.046 -10.120 1.00 0.00 O ATOM 459 CB ASP A 31 -2.959 6.376 -12.574 1.00 0.00 C ATOM 460 CG ASP A 31 -4.210 6.426 -13.428 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.842 5.366 -13.616 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.559 7.524 -13.909 1.00 0.00 O ATOM 0 H ASP A 31 -4.987 6.712 -11.199 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.239 4.582 -11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.617 7.392 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.166 5.874 -13.128 1.00 0.00 H new ATOM 467 N ILE A 32 -1.487 4.825 -9.751 1.00 0.00 N ATOM 468 CA ILE A 32 -0.354 4.889 -8.840 1.00 0.00 C ATOM 469 C ILE A 32 0.885 5.412 -9.554 1.00 0.00 C ATOM 470 O ILE A 32 1.050 5.224 -10.759 1.00 0.00 O ATOM 471 CB ILE A 32 -0.061 3.489 -8.258 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.259 3.003 -7.448 1.00 0.00 C ATOM 473 CG2 ILE A 32 1.201 3.470 -7.402 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.048 1.925 -8.146 1.00 0.00 C ATOM 0 H ILE A 32 -1.840 3.882 -9.912 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.608 5.573 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 32 0.112 2.814 -9.096 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.911 2.625 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.915 3.848 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.364 2.464 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.056 3.769 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.086 4.164 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.886 1.623 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.425 2.307 -9.095 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.404 1.065 -8.331 1.00 0.00 H new ATOM 486 N THR A 33 1.756 6.057 -8.792 1.00 0.00 N ATOM 487 CA THR A 33 2.992 6.601 -9.328 1.00 0.00 C ATOM 488 C THR A 33 4.183 5.884 -8.736 1.00 0.00 C ATOM 489 O THR A 33 5.199 5.689 -9.402 1.00 0.00 O ATOM 490 CB THR A 33 3.101 8.087 -9.020 1.00 0.00 C ATOM 491 OG1 THR A 33 1.843 8.618 -8.643 1.00 0.00 O ATOM 492 CG2 THR A 33 3.619 8.909 -10.181 1.00 0.00 C ATOM 0 H THR A 33 1.627 6.216 -7.793 1.00 0.00 H new ATOM 0 HA THR A 33 2.982 6.458 -10.408 1.00 0.00 H new ATOM 0 HB THR A 33 3.819 8.155 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.971 9.312 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.671 9.958 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.614 8.560 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.946 8.801 -11.032 1.00 0.00 H new ATOM 500 N ASP A 34 4.056 5.496 -7.477 1.00 0.00 N ATOM 501 CA ASP A 34 5.133 4.806 -6.809 1.00 0.00 C ATOM 502 C ASP A 34 4.628 3.974 -5.636 1.00 0.00 C ATOM 503 O ASP A 34 3.630 4.308 -4.999 1.00 0.00 O ATOM 504 CB ASP A 34 6.185 5.806 -6.325 1.00 0.00 C ATOM 505 CG ASP A 34 7.600 5.344 -6.615 1.00 0.00 C ATOM 506 OD1 ASP A 34 8.063 4.396 -5.947 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.245 5.931 -7.509 1.00 0.00 O ATOM 0 H ASP A 34 3.224 5.648 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 34 5.585 4.127 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.015 6.769 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.069 5.960 -5.252 1.00 0.00 H new ATOM 512 N ILE A 35 5.337 2.896 -5.345 1.00 0.00 N ATOM 513 CA ILE A 35 4.985 2.027 -4.235 1.00 0.00 C ATOM 514 C ILE A 35 6.251 1.508 -3.571 1.00 0.00 C ATOM 515 O ILE A 35 7.067 0.843 -4.208 1.00 0.00 O ATOM 516 CB ILE A 35 4.109 0.843 -4.685 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.896 1.353 -5.467 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.665 0.021 -3.483 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.928 0.261 -5.872 1.00 0.00 C ATOM 0 H ILE A 35 6.163 2.601 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 35 4.404 2.615 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 35 4.699 0.200 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.367 2.088 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.243 1.869 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.047 -0.811 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.541 -0.365 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.088 0.650 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.095 0.699 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.440 -0.463 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.551 -0.240 -4.980 1.00 0.00 H new ATOM 531 N GLN A 36 6.424 1.840 -2.298 1.00 0.00 N ATOM 532 CA GLN A 36 7.611 1.426 -1.562 1.00 0.00 C ATOM 533 C GLN A 36 7.263 0.543 -0.374 1.00 0.00 C ATOM 534 O GLN A 36 6.475 0.922 0.492 1.00 0.00 O ATOM 535 CB GLN A 36 8.381 2.658 -1.079 1.00 0.00 C ATOM 536 CG GLN A 36 9.631 2.955 -1.895 1.00 0.00 C ATOM 537 CD GLN A 36 9.711 4.402 -2.347 1.00 0.00 C ATOM 538 OE1 GLN A 36 8.874 5.227 -1.981 1.00 0.00 O ATOM 539 NE2 GLN A 36 10.722 4.717 -3.148 1.00 0.00 N ATOM 0 H GLN A 36 5.760 2.393 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 36 8.232 0.842 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.721 3.525 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.664 2.513 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.512 2.716 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.651 2.305 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.394 4.002 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.827 5.674 -3.484 1.00 0.00 H new ATOM 548 N ILE A 37 7.886 -0.626 -0.327 1.00 0.00 N ATOM 549 CA ILE A 37 7.680 -1.557 0.768 1.00 0.00 C ATOM 550 C ILE A 37 8.956 -1.633 1.610 1.00 0.00 C ATOM 551 O ILE A 37 9.964 -2.181 1.164 1.00 0.00 O ATOM 552 CB ILE A 37 7.311 -2.965 0.244 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.117 -2.881 -0.722 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.001 -3.900 1.407 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.286 -3.709 -1.979 1.00 0.00 C ATOM 0 H ILE A 37 8.540 -0.951 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 37 6.851 -1.199 1.378 1.00 0.00 H new ATOM 0 HB ILE A 37 8.164 -3.369 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.217 -3.208 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.962 -1.839 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.743 -4.887 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.875 -3.980 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.162 -3.503 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.404 -3.598 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.166 -3.368 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.410 -4.758 -1.710 1.00 0.00 H new ATOM 741 N GLY A 48 3.356 -7.440 6.124 1.00 0.00 N ATOM 742 CA GLY A 48 2.067 -7.259 5.490 1.00 0.00 C ATOM 743 C GLY A 48 1.657 -5.804 5.400 1.00 0.00 C ATOM 744 O GLY A 48 0.521 -5.464 5.726 1.00 0.00 O ATOM 0 HA2 GLY A 48 2.097 -7.686 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.311 -7.811 6.049 1.00 0.00 H new ATOM 748 N PHE A 49 2.570 -4.944 4.953 1.00 0.00 N ATOM 749 CA PHE A 49 2.277 -3.523 4.825 1.00 0.00 C ATOM 750 C PHE A 49 3.036 -2.909 3.657 1.00 0.00 C ATOM 751 O PHE A 49 4.120 -3.370 3.297 1.00 0.00 O ATOM 752 CB PHE A 49 2.631 -2.814 6.132 1.00 0.00 C ATOM 753 CG PHE A 49 2.113 -3.550 7.328 1.00 0.00 C ATOM 754 CD1 PHE A 49 0.767 -3.831 7.426 1.00 0.00 C ATOM 755 CD2 PHE A 49 2.962 -3.993 8.326 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.266 -4.541 8.493 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.468 -4.701 9.405 1.00 0.00 C ATOM 758 CZ PHE A 49 1.117 -4.978 9.488 1.00 0.00 C ATOM 0 H PHE A 49 3.515 -5.208 4.675 1.00 0.00 H new ATOM 0 HA PHE A 49 1.213 -3.399 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.714 -2.715 6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.218 -1.805 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.095 -3.488 6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.020 -3.784 8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.791 -4.756 8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.137 -5.038 10.183 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.728 -5.534 10.328 1.00 0.00 H new ATOM 768 N ALA A 50 2.460 -1.867 3.061 1.00 0.00 N ATOM 769 CA ALA A 50 3.097 -1.201 1.924 1.00 0.00 C ATOM 770 C ALA A 50 2.666 0.257 1.794 1.00 0.00 C ATOM 771 O ALA A 50 1.736 0.709 2.459 1.00 0.00 O ATOM 772 CB ALA A 50 2.789 -1.950 0.638 1.00 0.00 C ATOM 0 H ALA A 50 1.564 -1.468 3.341 1.00 0.00 H new ATOM 0 HA ALA A 50 4.172 -1.210 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.268 -1.445 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.167 -2.970 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.711 -1.973 0.480 1.00 0.00 H new ATOM 778 N PHE A 51 3.355 0.983 0.915 1.00 0.00 N ATOM 779 CA PHE A 51 3.059 2.390 0.666 1.00 0.00 C ATOM 780 C PHE A 51 2.623 2.589 -0.786 1.00 0.00 C ATOM 781 O PHE A 51 3.321 2.174 -1.707 1.00 0.00 O ATOM 782 CB PHE A 51 4.294 3.251 0.967 1.00 0.00 C ATOM 783 CG PHE A 51 4.102 4.209 2.107 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.165 5.226 2.023 1.00 0.00 C ATOM 785 CD2 PHE A 51 4.856 4.090 3.265 1.00 0.00 C ATOM 786 CE1 PHE A 51 2.986 6.109 3.071 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.681 4.970 4.316 1.00 0.00 C ATOM 788 CZ PHE A 51 3.744 5.981 4.220 1.00 0.00 C ATOM 0 H PHE A 51 4.128 0.615 0.360 1.00 0.00 H new ATOM 0 HA PHE A 51 2.245 2.698 1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.136 2.596 1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.560 3.814 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.568 5.330 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.588 3.300 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.254 6.899 2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.276 4.868 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.604 6.669 5.040 1.00 0.00 H new ATOM 798 N VAL A 52 1.470 3.219 -0.983 1.00 0.00 N ATOM 799 CA VAL A 52 0.952 3.460 -2.329 1.00 0.00 C ATOM 800 C VAL A 52 0.966 4.951 -2.662 1.00 0.00 C ATOM 801 O VAL A 52 0.478 5.772 -1.887 1.00 0.00 O ATOM 802 CB VAL A 52 -0.486 2.910 -2.486 1.00 0.00 C ATOM 803 CG1 VAL A 52 -0.933 2.976 -3.941 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.577 1.482 -1.955 1.00 0.00 C ATOM 0 H VAL A 52 0.877 3.572 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 52 1.606 2.933 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.157 3.535 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.946 2.584 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.913 4.011 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.259 2.379 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.596 1.114 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.108 0.842 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.308 1.469 -0.899 1.00 0.00 H new ATOM 814 N GLU A 53 1.524 5.298 -3.824 1.00 0.00 N ATOM 815 CA GLU A 53 1.594 6.687 -4.254 1.00 0.00 C ATOM 816 C GLU A 53 0.735 6.876 -5.490 1.00 0.00 C ATOM 817 O GLU A 53 0.782 6.071 -6.416 1.00 0.00 O ATOM 818 CB GLU A 53 3.051 7.091 -4.537 1.00 0.00 C ATOM 819 CG GLU A 53 3.209 8.385 -5.327 1.00 0.00 C ATOM 820 CD GLU A 53 3.831 9.501 -4.512 1.00 0.00 C ATOM 821 OE1 GLU A 53 3.082 10.210 -3.808 1.00 0.00 O ATOM 822 OE2 GLU A 53 5.068 9.667 -4.579 1.00 0.00 O ATOM 0 H GLU A 53 1.933 4.633 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 53 1.217 7.329 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.577 7.194 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.538 6.284 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.826 8.196 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.232 8.706 -5.688 1.00 0.00 H new ATOM 829 N PHE A 54 -0.054 7.936 -5.497 1.00 0.00 N ATOM 830 CA PHE A 54 -0.926 8.216 -6.615 1.00 0.00 C ATOM 831 C PHE A 54 -0.419 9.399 -7.417 1.00 0.00 C ATOM 832 O PHE A 54 0.371 10.207 -6.929 1.00 0.00 O ATOM 833 CB PHE A 54 -2.340 8.490 -6.110 1.00 0.00 C ATOM 834 CG PHE A 54 -3.063 7.244 -5.692 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.545 6.420 -4.706 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.255 6.893 -6.296 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.208 5.268 -4.330 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.922 5.741 -5.926 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.397 4.927 -4.942 1.00 0.00 C ATOM 0 H PHE A 54 -0.106 8.616 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.939 7.345 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.292 9.177 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.910 8.989 -6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.613 6.681 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.670 7.526 -7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.796 4.635 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.853 5.477 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.916 4.025 -4.652 1.00 0.00 H new ATOM 849 N GLU A 55 -0.896 9.501 -8.643 1.00 0.00 N ATOM 850 CA GLU A 55 -0.522 10.598 -9.519 1.00 0.00 C ATOM 851 C GLU A 55 -1.271 11.846 -9.087 1.00 0.00 C ATOM 852 O GLU A 55 -0.799 12.971 -9.253 1.00 0.00 O ATOM 853 CB GLU A 55 -0.852 10.255 -10.973 1.00 0.00 C ATOM 854 CG GLU A 55 -0.348 11.276 -11.977 1.00 0.00 C ATOM 855 CD GLU A 55 -1.103 11.223 -13.291 1.00 0.00 C ATOM 856 OE1 GLU A 55 -1.781 10.205 -13.545 1.00 0.00 O ATOM 857 OE2 GLU A 55 -1.016 12.198 -14.066 1.00 0.00 O ATOM 0 H GLU A 55 -1.547 8.834 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 55 0.552 10.773 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.423 9.282 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.933 10.161 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.438 12.275 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.712 11.104 -12.164 1.00 0.00 H new ATOM 864 N LEU A 56 -2.452 11.618 -8.525 1.00 0.00 N ATOM 865 CA LEU A 56 -3.310 12.692 -8.051 1.00 0.00 C ATOM 866 C LEU A 56 -3.646 12.497 -6.574 1.00 0.00 C ATOM 867 O LEU A 56 -4.039 11.408 -6.159 1.00 0.00 O ATOM 868 CB LEU A 56 -4.591 12.720 -8.879 1.00 0.00 C ATOM 869 CG LEU A 56 -4.390 12.961 -10.377 1.00 0.00 C ATOM 870 CD1 LEU A 56 -5.672 12.668 -11.147 1.00 0.00 C ATOM 871 CD2 LEU A 56 -3.922 14.387 -10.627 1.00 0.00 C ATOM 0 H LEU A 56 -2.839 10.685 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.785 13.641 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.112 11.772 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.243 13.500 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.619 12.280 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.507 12.846 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.959 11.628 -10.993 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.468 13.321 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.784 14.542 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.670 15.086 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.977 14.556 -10.111 1.00 0.00 H new ATOM 883 N ALA A 57 -3.486 13.554 -5.784 1.00 0.00 N ATOM 884 CA ALA A 57 -3.769 13.489 -4.353 1.00 0.00 C ATOM 885 C ALA A 57 -5.232 13.144 -4.093 1.00 0.00 C ATOM 886 O ALA A 57 -5.550 12.419 -3.150 1.00 0.00 O ATOM 887 CB ALA A 57 -3.407 14.804 -3.683 1.00 0.00 C ATOM 0 H ALA A 57 -3.162 14.465 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.157 12.695 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.623 14.741 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.345 15.005 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.992 15.611 -4.125 1.00 0.00 H new ATOM 893 N GLU A 58 -6.119 13.667 -4.933 1.00 0.00 N ATOM 894 CA GLU A 58 -7.550 13.413 -4.791 1.00 0.00 C ATOM 895 C GLU A 58 -7.863 11.938 -5.013 1.00 0.00 C ATOM 896 O GLU A 58 -8.711 11.360 -4.334 1.00 0.00 O ATOM 897 CB GLU A 58 -8.339 14.272 -5.781 1.00 0.00 C ATOM 898 CG GLU A 58 -9.516 14.999 -5.152 1.00 0.00 C ATOM 899 CD GLU A 58 -10.127 16.026 -6.084 1.00 0.00 C ATOM 900 OE1 GLU A 58 -9.365 16.682 -6.825 1.00 0.00 O ATOM 901 OE2 GLU A 58 -11.367 16.175 -6.072 1.00 0.00 O ATOM 0 H GLU A 58 -5.873 14.269 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.845 13.678 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.668 15.004 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.704 13.638 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.277 14.273 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.188 15.493 -4.237 1.00 0.00 H new ATOM 908 N ASP A 59 -7.169 11.337 -5.972 1.00 0.00 N ATOM 909 CA ASP A 59 -7.361 9.931 -6.295 1.00 0.00 C ATOM 910 C ASP A 59 -7.031 9.046 -5.097 1.00 0.00 C ATOM 911 O ASP A 59 -7.690 8.034 -4.860 1.00 0.00 O ATOM 912 CB ASP A 59 -6.495 9.537 -7.491 1.00 0.00 C ATOM 913 CG ASP A 59 -7.006 10.124 -8.793 1.00 0.00 C ATOM 914 OD1 ASP A 59 -7.644 11.197 -8.750 1.00 0.00 O ATOM 915 OD2 ASP A 59 -6.767 9.510 -9.853 1.00 0.00 O ATOM 0 H ASP A 59 -6.465 11.806 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.410 9.784 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.472 9.872 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.465 8.450 -7.572 1.00 0.00 H new ATOM 920 N ALA A 60 -6.002 9.433 -4.350 1.00 0.00 N ATOM 921 CA ALA A 60 -5.574 8.672 -3.183 1.00 0.00 C ATOM 922 C ALA A 60 -6.709 8.534 -2.175 1.00 0.00 C ATOM 923 O ALA A 60 -6.936 7.454 -1.634 1.00 0.00 O ATOM 924 CB ALA A 60 -4.368 9.339 -2.539 1.00 0.00 C ATOM 0 H ALA A 60 -5.449 10.270 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.292 7.671 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.056 8.763 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.550 9.383 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.633 10.350 -2.229 1.00 0.00 H new ATOM 930 N ALA A 61 -7.433 9.624 -1.943 1.00 0.00 N ATOM 931 CA ALA A 61 -8.560 9.607 -1.014 1.00 0.00 C ATOM 932 C ALA A 61 -9.533 8.492 -1.386 1.00 0.00 C ATOM 933 O ALA A 61 -10.160 7.879 -0.525 1.00 0.00 O ATOM 934 CB ALA A 61 -9.261 10.957 -1.001 1.00 0.00 C ATOM 0 H ALA A 61 -7.261 10.528 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.183 9.413 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.098 10.926 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.558 11.729 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.630 11.185 -2.001 1.00 0.00 H new ATOM 940 N ALA A 62 -9.644 8.236 -2.685 1.00 0.00 N ATOM 941 CA ALA A 62 -10.526 7.193 -3.186 1.00 0.00 C ATOM 942 C ALA A 62 -10.027 5.829 -2.732 1.00 0.00 C ATOM 943 O ALA A 62 -10.798 5.013 -2.237 1.00 0.00 O ATOM 944 CB ALA A 62 -10.617 7.255 -4.705 1.00 0.00 C ATOM 0 H ALA A 62 -9.132 8.739 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.525 7.352 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.281 6.468 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.010 8.226 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.625 7.116 -5.135 1.00 0.00 H new ATOM 950 N ALA A 63 -8.720 5.610 -2.856 1.00 0.00 N ATOM 951 CA ALA A 63 -8.120 4.359 -2.412 1.00 0.00 C ATOM 952 C ALA A 63 -8.302 4.236 -0.908 1.00 0.00 C ATOM 953 O ALA A 63 -8.523 3.150 -0.372 1.00 0.00 O ATOM 954 CB ALA A 63 -6.642 4.314 -2.782 1.00 0.00 C ATOM 0 H ALA A 63 -8.062 6.278 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.611 3.521 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.210 3.372 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.535 4.393 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.122 5.144 -2.305 1.00 0.00 H new ATOM 960 N ILE A 64 -8.224 5.382 -0.248 1.00 0.00 N ATOM 961 CA ILE A 64 -8.392 5.470 1.189 1.00 0.00 C ATOM 962 C ILE A 64 -9.801 5.048 1.590 1.00 0.00 C ATOM 963 O ILE A 64 -9.985 4.197 2.458 1.00 0.00 O ATOM 964 CB ILE A 64 -8.152 6.922 1.649 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.689 7.311 1.446 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.547 7.124 3.109 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.408 8.773 1.718 1.00 0.00 C ATOM 0 H ILE A 64 -8.042 6.279 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.672 4.803 1.663 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.784 7.567 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.066 6.702 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.398 7.078 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.363 8.159 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.605 6.895 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.955 6.462 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.350 8.977 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.005 9.389 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.667 9.007 2.751 1.00 0.00 H new ATOM 979 N ASP A 65 -10.790 5.665 0.959 1.00 0.00 N ATOM 980 CA ASP A 65 -12.187 5.378 1.250 1.00 0.00 C ATOM 981 C ASP A 65 -12.626 4.041 0.662 1.00 0.00 C ATOM 982 O ASP A 65 -13.716 3.555 0.961 1.00 0.00 O ATOM 983 CB ASP A 65 -13.074 6.498 0.702 1.00 0.00 C ATOM 984 CG ASP A 65 -12.967 7.768 1.519 1.00 0.00 C ATOM 985 OD1 ASP A 65 -11.842 8.104 1.948 1.00 0.00 O ATOM 986 OD2 ASP A 65 -14.006 8.426 1.734 1.00 0.00 O ATOM 0 H ASP A 65 -10.649 6.372 0.238 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.293 5.318 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.794 6.708 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.111 6.163 0.689 1.00 0.00 H new ATOM 991 N ASN A 66 -11.788 3.452 -0.186 1.00 0.00 N ATOM 992 CA ASN A 66 -12.128 2.174 -0.815 1.00 0.00 C ATOM 993 C ASN A 66 -11.437 0.997 -0.133 1.00 0.00 C ATOM 994 O ASN A 66 -12.040 -0.060 0.051 1.00 0.00 O ATOM 995 CB ASN A 66 -11.768 2.194 -2.304 1.00 0.00 C ATOM 996 CG ASN A 66 -12.820 1.519 -3.163 1.00 0.00 C ATOM 997 OD1 ASN A 66 -13.790 0.959 -2.651 1.00 0.00 O ATOM 998 ND2 ASN A 66 -12.633 1.568 -4.477 1.00 0.00 N ATOM 0 H ASN A 66 -10.879 3.831 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.204 2.040 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.644 3.226 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.810 1.696 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.308 1.131 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.815 2.043 -4.858 1.00 0.00 H new ATOM 1005 N MET A 67 -10.168 1.168 0.224 1.00 0.00 N ATOM 1006 CA MET A 67 -9.416 0.091 0.862 1.00 0.00 C ATOM 1007 C MET A 67 -9.565 0.110 2.383 1.00 0.00 C ATOM 1008 O MET A 67 -9.475 -0.934 3.031 1.00 0.00 O ATOM 1009 CB MET A 67 -7.938 0.165 0.470 1.00 0.00 C ATOM 1010 CG MET A 67 -7.446 -1.073 -0.261 1.00 0.00 C ATOM 1011 SD MET A 67 -8.260 -1.311 -1.850 1.00 0.00 S ATOM 1012 CE MET A 67 -9.071 -2.885 -1.586 1.00 0.00 C ATOM 0 H MET A 67 -9.643 2.031 0.085 1.00 0.00 H new ATOM 0 HA MET A 67 -9.833 -0.851 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.781 1.038 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.338 0.310 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.370 -0.994 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.614 -1.950 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.199 -3.393 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.462 -3.502 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.047 -2.719 -1.130 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.795 1.288 2.954 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.955 1.405 4.402 1.00 0.00 C ATOM 1024 C ASN A 68 -11.096 0.515 4.885 1.00 0.00 C ATOM 1025 O ASN A 68 -12.264 0.774 4.592 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.216 2.860 4.804 1.00 0.00 C ATOM 1027 CG ASN A 68 -10.309 3.040 6.307 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -9.353 2.772 7.034 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -11.460 3.501 6.782 1.00 0.00 N ATOM 0 H ASN A 68 -9.874 2.168 2.444 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.029 1.077 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.416 3.490 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.143 3.200 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.577 3.646 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.228 3.711 6.144 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.744 -0.540 5.616 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.729 -1.485 6.135 1.00 0.00 C ATOM 1038 C GLU A 69 -12.356 -2.297 5.007 1.00 0.00 C ATOM 1039 O GLU A 69 -13.569 -2.507 4.978 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.821 -0.755 6.926 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.282 0.121 8.044 1.00 0.00 C ATOM 1042 CD GLU A 69 -12.112 -0.638 9.344 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -12.916 -1.558 9.605 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -11.174 -0.313 10.103 1.00 0.00 O ATOM 0 H GLU A 69 -9.780 -0.762 5.863 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.209 -2.169 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.403 -0.138 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.504 -1.491 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.322 0.539 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.959 0.960 8.203 1.00 0.00 H new ATOM 1051 N SER A 70 -11.520 -2.757 4.079 1.00 0.00 N ATOM 1052 CA SER A 70 -11.990 -3.553 2.948 1.00 0.00 C ATOM 1053 C SER A 70 -11.450 -4.981 3.036 1.00 0.00 C ATOM 1054 O SER A 70 -11.024 -5.424 4.102 1.00 0.00 O ATOM 1055 CB SER A 70 -11.566 -2.901 1.628 1.00 0.00 C ATOM 1056 OG SER A 70 -12.679 -2.709 0.773 1.00 0.00 O ATOM 0 H SER A 70 -10.513 -2.592 4.088 1.00 0.00 H new ATOM 0 HA SER A 70 -13.079 -3.595 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.089 -1.942 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.825 -3.527 1.131 1.00 0.00 H new ATOM 0 HG SER A 70 -12.642 -1.810 0.385 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.472 -5.701 1.916 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.985 -7.077 1.884 1.00 0.00 C ATOM 1064 C GLU A 71 -10.050 -7.305 0.700 1.00 0.00 C ATOM 1065 O GLU A 71 -10.419 -7.067 -0.452 1.00 0.00 O ATOM 1066 CB GLU A 71 -12.161 -8.053 1.813 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.853 -9.417 2.407 1.00 0.00 C ATOM 1068 CD GLU A 71 -13.081 -10.091 2.987 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.510 -9.694 4.092 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -13.616 -11.014 2.336 1.00 0.00 O ATOM 0 H GLU A 71 -11.821 -5.355 1.022 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.424 -7.255 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.013 -7.621 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.457 -8.178 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.422 -10.056 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.100 -9.308 3.188 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.842 -7.777 0.990 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.853 -8.049 -0.050 1.00 0.00 C ATOM 1079 C LEU A 72 -7.113 -9.348 0.244 1.00 0.00 C ATOM 1080 O LEU A 72 -6.545 -9.520 1.322 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.858 -6.890 -0.163 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.366 -6.599 -1.581 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.533 -6.241 -2.489 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.333 -5.483 -1.565 1.00 0.00 C ATOM 0 H LEU A 72 -8.523 -7.980 1.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.377 -8.152 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.325 -5.989 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.996 -7.108 0.467 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.893 -7.498 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.163 -6.037 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.236 -7.073 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.037 -5.356 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.993 -5.288 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.781 -4.579 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.484 -5.781 -0.949 1.00 0.00 H new ATOM 1096 N PHE A 73 -7.129 -10.269 -0.716 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.465 -11.556 -0.548 1.00 0.00 C ATOM 1098 C PHE A 73 -6.928 -12.235 0.738 1.00 0.00 C ATOM 1099 O PHE A 73 -6.157 -12.925 1.404 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.944 -11.378 -0.531 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.357 -11.092 -1.885 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.540 -11.977 -2.937 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.624 -9.938 -2.106 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.999 -11.715 -4.181 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -3.083 -9.671 -3.347 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.270 -10.560 -4.387 1.00 0.00 C ATOM 0 H PHE A 73 -7.594 -10.147 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.733 -12.190 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.689 -10.562 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.485 -12.281 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.111 -12.880 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.474 -9.238 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.146 -12.413 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.514 -8.767 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.847 -10.353 -5.359 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.197 -12.027 1.079 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.751 -12.616 2.283 1.00 0.00 C ATOM 1118 C GLY A 74 -8.306 -11.900 3.544 1.00 0.00 C ATOM 1119 O GLY A 74 -8.496 -12.406 4.651 1.00 0.00 O ATOM 0 H GLY A 74 -8.852 -11.460 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.839 -12.597 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.453 -13.663 2.340 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.702 -10.724 3.381 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.223 -9.948 4.512 1.00 0.00 C ATOM 1125 C ARG A 75 -7.781 -8.530 4.499 1.00 0.00 C ATOM 1126 O ARG A 75 -7.922 -7.910 3.444 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.698 -9.889 4.490 1.00 0.00 C ATOM 1128 CG ARG A 75 -5.041 -11.235 4.234 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.236 -11.688 5.436 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.884 -13.106 5.365 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.363 -14.039 6.188 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.220 -13.719 7.151 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.981 -15.300 6.049 1.00 0.00 N ATOM 0 H ARG A 75 -7.535 -10.291 2.473 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.567 -10.441 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.381 -9.187 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.344 -9.497 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.805 -11.978 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.390 -11.165 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.326 -11.093 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.809 -11.503 6.345 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.230 -13.400 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.519 -12.751 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.580 -14.442 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.322 -15.555 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.346 -16.016 6.677 1.00 0.00 H new ATOM 1147 N THR A 76 -8.070 -8.016 5.686 1.00 0.00 N ATOM 1148 CA THR A 76 -8.581 -6.667 5.831 1.00 0.00 C ATOM 1149 C THR A 76 -7.420 -5.690 5.816 1.00 0.00 C ATOM 1150 O THR A 76 -6.426 -5.888 6.509 1.00 0.00 O ATOM 1151 CB THR A 76 -9.365 -6.526 7.136 1.00 0.00 C ATOM 1152 OG1 THR A 76 -10.434 -7.452 7.183 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.943 -5.142 7.338 1.00 0.00 C ATOM 0 H THR A 76 -7.957 -8.519 6.566 1.00 0.00 H new ATOM 0 HA THR A 76 -9.255 -6.450 5.002 1.00 0.00 H new ATOM 0 HB THR A 76 -8.643 -6.720 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.922 -7.346 8.027 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.487 -5.109 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.136 -4.410 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.623 -4.909 6.519 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.545 -4.642 5.022 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.497 -3.640 4.916 1.00 0.00 C ATOM 1163 C ILE A 77 -6.999 -2.261 5.315 1.00 0.00 C ATOM 1164 O ILE A 77 -8.198 -1.986 5.281 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.905 -3.573 3.494 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.982 -3.213 2.462 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -5.225 -4.888 3.135 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -7.956 -4.333 2.149 1.00 0.00 C ATOM 0 H ILE A 77 -8.363 -4.461 4.440 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.712 -3.947 5.607 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.154 -2.783 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.543 -2.353 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.493 -2.906 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.813 -4.822 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.421 -5.087 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.954 -5.698 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.681 -3.989 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.411 -5.189 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.477 -4.627 3.060 1.00 0.00 H new ATOM 1180 N ARG A 78 -6.065 -1.402 5.695 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.385 -0.040 6.112 1.00 0.00 C ATOM 1182 C ARG A 78 -5.467 0.958 5.417 1.00 0.00 C ATOM 1183 O ARG A 78 -4.261 0.737 5.322 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.246 0.091 7.629 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.529 1.487 8.153 1.00 0.00 C ATOM 1186 CD ARG A 78 -6.718 1.482 9.660 1.00 0.00 C ATOM 1187 NE ARG A 78 -6.648 2.826 10.225 1.00 0.00 N ATOM 1188 CZ ARG A 78 -6.446 3.075 11.517 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -6.293 2.073 12.374 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -6.394 4.327 11.950 1.00 0.00 N ATOM 0 H ARG A 78 -5.070 -1.625 5.724 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.415 0.177 5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.927 -0.612 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.235 -0.197 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.705 2.151 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.424 1.884 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.683 1.037 9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.953 0.856 10.119 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.760 3.620 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.330 1.109 12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.138 2.267 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.509 5.099 11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.239 4.518 12.940 1.00 0.00 H new ATOM 1204 N VAL A 79 -6.038 2.056 4.927 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.256 3.073 4.235 1.00 0.00 C ATOM 1206 C VAL A 79 -5.293 4.414 4.965 1.00 0.00 C ATOM 1207 O VAL A 79 -6.258 4.728 5.663 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.758 3.252 2.787 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.995 4.350 2.062 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.640 1.939 2.031 1.00 0.00 C ATOM 0 H VAL A 79 -7.035 2.262 4.997 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.222 2.727 4.218 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.805 3.551 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.376 4.447 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.126 5.294 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.935 4.096 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.996 2.074 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.597 1.622 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.242 1.178 2.528 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.230 5.202 4.796 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.130 6.510 5.434 1.00 0.00 C ATOM 1222 C ASN A 80 -3.161 7.418 4.683 1.00 0.00 C ATOM 1223 O ASN A 80 -2.379 6.953 3.857 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.692 6.366 6.895 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.518 7.224 7.833 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -4.184 8.379 8.095 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -5.607 6.661 8.343 1.00 0.00 N ATOM 0 H ASN A 80 -3.425 4.954 4.220 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.118 6.969 5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.775 5.321 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.641 6.641 6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.204 7.189 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.847 5.700 8.099 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.221 8.718 4.972 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.350 9.694 4.319 1.00 0.00 C ATOM 1236 C LEU A 81 -0.989 9.786 5.013 1.00 0.00 C ATOM 1237 O LEU A 81 -0.397 10.862 5.093 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.021 11.071 4.299 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.941 11.329 3.100 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -5.201 12.064 3.534 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -3.207 12.115 2.020 1.00 0.00 C ATOM 0 H LEU A 81 -3.864 9.119 5.654 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.183 9.358 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.601 11.189 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.245 11.836 4.313 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.235 10.366 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.839 12.236 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.739 11.462 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.929 13.021 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.877 12.288 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.879 13.072 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.339 11.548 1.683 1.00 0.00 H new