USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 31 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.42) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0655 (180deg=-0.371) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -156:sc= -0.82 (180deg=-2.74!) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.156 (180deg=-0.612) USER MOD Single : A 24 ASN : amide:sc=-0.00929 K(o=-0.0093,f=-0.75) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 30 GLN : amide:sc= -0.0594 X(o=-0.059,f=0.14) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 82:sc= 0.374 USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 0.589 (180deg=0.441) USER MOD Single : A 41 THR OG1 : rot 79:sc= 0.278 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 49 GLN : amide:sc= -0.175 K(o=-0.18,f=-3.5!) USER MOD Single : A 73 GLN : amide:sc= -0.621 K(o=-0.62,f=-2.3!) USER MOD Single : A 74 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 7.001 15.357 -1.319 1.00 0.00 N ATOM 67 CA SER A 8 5.983 14.787 -0.444 1.00 0.00 C ATOM 68 C SER A 8 4.868 14.139 -1.259 1.00 0.00 C ATOM 69 O SER A 8 4.479 12.999 -1.004 1.00 0.00 O ATOM 70 CB SER A 8 5.402 15.867 0.469 1.00 0.00 C ATOM 71 OG SER A 8 4.776 16.890 -0.285 1.00 0.00 O ATOM 0 HA SER A 8 6.454 14.019 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.679 15.420 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.196 16.296 1.081 1.00 0.00 H new ATOM 0 HG SER A 8 4.411 17.567 0.322 1.00 0.00 H new ATOM 77 N ILE A 9 4.358 14.876 -2.241 1.00 0.00 N ATOM 78 CA ILE A 9 3.287 14.374 -3.094 1.00 0.00 C ATOM 79 C ILE A 9 3.722 13.116 -3.837 1.00 0.00 C ATOM 80 O ILE A 9 3.139 12.045 -3.661 1.00 0.00 O ATOM 81 CB ILE A 9 2.841 15.434 -4.117 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.682 16.796 -3.439 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.539 15.013 -4.783 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.877 16.743 -2.160 1.00 0.00 C ATOM 0 H ILE A 9 4.669 15.821 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 9 2.447 14.135 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 9 3.609 15.520 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.670 17.202 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.201 17.485 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.237 15.773 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.684 14.063 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.763 14.902 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.805 17.744 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.877 16.367 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.368 16.080 -1.448 1.00 0.00 H new ATOM 96 N LEU A 10 4.748 13.252 -4.669 1.00 0.00 N ATOM 97 CA LEU A 10 5.263 12.124 -5.439 1.00 0.00 C ATOM 98 C LEU A 10 5.512 10.918 -4.540 1.00 0.00 C ATOM 99 O LEU A 10 5.142 9.793 -4.875 1.00 0.00 O ATOM 100 CB LEU A 10 6.557 12.519 -6.154 1.00 0.00 C ATOM 101 CG LEU A 10 6.438 13.636 -7.191 1.00 0.00 C ATOM 102 CD1 LEU A 10 7.771 14.349 -7.363 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.953 13.080 -8.521 1.00 0.00 C ATOM 0 H LEU A 10 5.240 14.131 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 10 4.514 11.850 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.285 12.825 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.960 11.635 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 10 5.705 14.360 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.667 15.141 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.078 14.782 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.525 13.636 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.874 13.889 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.661 12.335 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.976 12.617 -8.387 1.00 0.00 H new ATOM 115 N LYS A 11 6.141 11.161 -3.395 1.00 0.00 N ATOM 116 CA LYS A 11 6.437 10.096 -2.443 1.00 0.00 C ATOM 117 C LYS A 11 5.184 9.286 -2.127 1.00 0.00 C ATOM 118 O LYS A 11 5.183 8.060 -2.238 1.00 0.00 O ATOM 119 CB LYS A 11 7.017 10.683 -1.154 1.00 0.00 C ATOM 120 CG LYS A 11 8.531 10.806 -1.169 1.00 0.00 C ATOM 121 CD LYS A 11 9.034 11.639 -0.003 1.00 0.00 C ATOM 122 CE LYS A 11 10.524 11.437 0.224 1.00 0.00 C ATOM 123 NZ LYS A 11 11.343 12.348 -0.622 1.00 0.00 N ATOM 0 H LYS A 11 6.456 12.086 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 11 7.173 9.432 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.582 11.668 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.720 10.056 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.978 9.813 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.851 11.260 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.834 12.693 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.487 11.370 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.758 11.609 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.788 10.402 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.352 12.179 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.139 12.167 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.110 13.336 -0.395 1.00 0.00 H new ATOM 137 N ILE A 12 4.120 9.978 -1.732 1.00 0.00 N ATOM 138 CA ILE A 12 2.861 9.321 -1.402 1.00 0.00 C ATOM 139 C ILE A 12 2.234 8.684 -2.637 1.00 0.00 C ATOM 140 O ILE A 12 1.600 7.633 -2.550 1.00 0.00 O ATOM 141 CB ILE A 12 1.857 10.311 -0.783 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.462 10.980 0.452 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.563 9.596 -0.425 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.734 12.236 0.877 1.00 0.00 C ATOM 0 H ILE A 12 4.105 10.993 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 12 3.091 8.544 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 12 1.631 11.085 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.457 10.270 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.504 11.225 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.137 10.308 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.126 9.162 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.772 8.805 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.218 12.656 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.761 12.964 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.698 11.994 1.113 1.00 0.00 H new ATOM 156 N GLU A 13 2.417 9.326 -3.786 1.00 0.00 N ATOM 157 CA GLU A 13 1.870 8.820 -5.039 1.00 0.00 C ATOM 158 C GLU A 13 2.340 7.393 -5.301 1.00 0.00 C ATOM 159 O GLU A 13 1.530 6.478 -5.453 1.00 0.00 O ATOM 160 CB GLU A 13 2.280 9.725 -6.204 1.00 0.00 C ATOM 161 CG GLU A 13 1.400 10.956 -6.356 1.00 0.00 C ATOM 162 CD GLU A 13 1.664 11.703 -7.649 1.00 0.00 C ATOM 163 OE1 GLU A 13 2.194 11.085 -8.595 1.00 0.00 O ATOM 164 OE2 GLU A 13 1.339 12.908 -7.714 1.00 0.00 O ATOM 0 H GLU A 13 2.940 10.197 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 13 0.783 8.817 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.313 10.042 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.249 9.149 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.353 10.656 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.569 11.625 -5.513 1.00 0.00 H new ATOM 171 N LYS A 14 3.655 7.209 -5.353 1.00 0.00 N ATOM 172 CA LYS A 14 4.236 5.894 -5.597 1.00 0.00 C ATOM 173 C LYS A 14 3.627 4.851 -4.665 1.00 0.00 C ATOM 174 O LYS A 14 3.200 3.783 -5.106 1.00 0.00 O ATOM 175 CB LYS A 14 5.753 5.940 -5.405 1.00 0.00 C ATOM 176 CG LYS A 14 6.512 6.358 -6.653 1.00 0.00 C ATOM 177 CD LYS A 14 6.347 7.842 -6.934 1.00 0.00 C ATOM 178 CE LYS A 14 6.810 8.198 -8.339 1.00 0.00 C ATOM 179 NZ LYS A 14 5.957 7.565 -9.381 1.00 0.00 N ATOM 0 H LYS A 14 4.339 7.955 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 14 4.015 5.611 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.988 6.634 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.101 4.956 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.570 6.125 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.155 5.783 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.301 8.122 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.918 8.417 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.792 9.281 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.844 7.879 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.084 8.065 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.231 6.568 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.959 7.619 -9.093 1.00 0.00 H new ATOM 193 N VAL A 15 3.589 5.166 -3.374 1.00 0.00 N ATOM 194 CA VAL A 15 3.030 4.257 -2.381 1.00 0.00 C ATOM 195 C VAL A 15 1.761 3.588 -2.900 1.00 0.00 C ATOM 196 O VAL A 15 1.612 2.368 -2.821 1.00 0.00 O ATOM 197 CB VAL A 15 2.709 4.990 -1.066 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.986 4.064 -0.100 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.981 5.540 -0.439 1.00 0.00 C ATOM 0 H VAL A 15 3.939 6.044 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 15 3.786 3.496 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 15 2.049 5.828 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.768 4.600 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.054 3.724 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.618 3.203 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.736 6.055 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.667 4.720 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.453 6.240 -1.128 1.00 0.00 H new ATOM 209 N LEU A 16 0.849 4.394 -3.431 1.00 0.00 N ATOM 210 CA LEU A 16 -0.408 3.882 -3.964 1.00 0.00 C ATOM 211 C LEU A 16 -0.208 3.292 -5.357 1.00 0.00 C ATOM 212 O LEU A 16 -0.586 2.150 -5.619 1.00 0.00 O ATOM 213 CB LEU A 16 -1.455 4.996 -4.016 1.00 0.00 C ATOM 214 CG LEU A 16 -1.885 5.576 -2.668 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.817 6.761 -2.869 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.557 4.506 -1.818 1.00 0.00 C ATOM 0 H LEU A 16 0.957 5.406 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.760 3.092 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.063 5.807 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.340 4.612 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.995 5.925 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.112 7.160 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.303 7.535 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.704 6.438 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.857 4.936 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.437 4.128 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.859 3.687 -1.645 1.00 0.00 H new ATOM 228 N LYS A 17 0.390 4.076 -6.246 1.00 0.00 N ATOM 229 CA LYS A 17 0.644 3.631 -7.612 1.00 0.00 C ATOM 230 C LYS A 17 0.974 2.142 -7.645 1.00 0.00 C ATOM 231 O LYS A 17 0.300 1.363 -8.319 1.00 0.00 O ATOM 232 CB LYS A 17 1.794 4.433 -8.226 1.00 0.00 C ATOM 233 CG LYS A 17 1.829 4.380 -9.743 1.00 0.00 C ATOM 234 CD LYS A 17 2.516 5.603 -10.328 1.00 0.00 C ATOM 235 CE LYS A 17 2.777 5.436 -11.817 1.00 0.00 C ATOM 236 NZ LYS A 17 1.617 5.883 -12.637 1.00 0.00 N ATOM 0 H LYS A 17 0.709 5.024 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.260 3.799 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.711 5.473 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.739 4.055 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.352 3.479 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.812 4.313 -10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.896 6.484 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.459 5.775 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.662 6.008 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.993 4.390 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.834 5.753 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.779 5.320 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.427 6.888 -12.451 1.00 0.00 H new ATOM 250 N ARG A 18 2.015 1.755 -6.914 1.00 0.00 N ATOM 251 CA ARG A 18 2.434 0.359 -6.861 1.00 0.00 C ATOM 252 C ARG A 18 1.382 -0.498 -6.161 1.00 0.00 C ATOM 253 O ARG A 18 1.130 -1.636 -6.557 1.00 0.00 O ATOM 254 CB ARG A 18 3.775 0.234 -6.136 1.00 0.00 C ATOM 255 CG ARG A 18 4.436 -1.124 -6.307 1.00 0.00 C ATOM 256 CD ARG A 18 5.335 -1.156 -7.534 1.00 0.00 C ATOM 257 NE ARG A 18 6.346 -2.205 -7.444 1.00 0.00 N ATOM 258 CZ ARG A 18 7.240 -2.447 -8.396 1.00 0.00 C ATOM 259 NH1 ARG A 18 7.248 -1.718 -9.503 1.00 0.00 N ATOM 260 NH2 ARG A 18 8.129 -3.420 -8.242 1.00 0.00 N ATOM 0 H ARG A 18 2.583 2.388 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 18 2.548 0.000 -7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.451 1.006 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.623 0.423 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.022 -1.359 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.670 -1.894 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.727 -1.314 -8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.825 -0.189 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 18 6.367 -2.784 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.566 -0.969 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.936 -1.906 -10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.126 -3.983 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.815 -3.605 -8.974 1.00 0.00 H new ATOM 274 N MET A 19 0.774 0.056 -5.119 1.00 0.00 N ATOM 275 CA MET A 19 -0.250 -0.657 -4.363 1.00 0.00 C ATOM 276 C MET A 19 -1.374 -1.126 -5.281 1.00 0.00 C ATOM 277 O MET A 19 -1.674 -2.317 -5.351 1.00 0.00 O ATOM 278 CB MET A 19 -0.817 0.239 -3.261 1.00 0.00 C ATOM 279 CG MET A 19 -1.916 -0.423 -2.445 1.00 0.00 C ATOM 280 SD MET A 19 -3.546 -0.234 -3.192 1.00 0.00 S ATOM 281 CE MET A 19 -3.838 1.514 -2.926 1.00 0.00 C ATOM 0 H MET A 19 0.972 0.997 -4.778 1.00 0.00 H new ATOM 0 HA MET A 19 0.213 -1.532 -3.907 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.008 0.536 -2.593 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.209 1.151 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.692 -1.484 -2.335 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.928 0.006 -1.443 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.911 1.708 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.416 1.811 -1.966 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.365 2.087 -3.723 1.00 0.00 H new ATOM 291 N ARG A 20 -1.992 -0.182 -5.984 1.00 0.00 N ATOM 292 CA ARG A 20 -3.083 -0.500 -6.897 1.00 0.00 C ATOM 293 C ARG A 20 -2.673 -1.595 -7.876 1.00 0.00 C ATOM 294 O ARG A 20 -3.437 -2.522 -8.141 1.00 0.00 O ATOM 295 CB ARG A 20 -3.515 0.751 -7.664 1.00 0.00 C ATOM 296 CG ARG A 20 -4.506 1.620 -6.908 1.00 0.00 C ATOM 297 CD ARG A 20 -4.879 2.862 -7.701 1.00 0.00 C ATOM 298 NE ARG A 20 -5.670 2.538 -8.885 1.00 0.00 N ATOM 299 CZ ARG A 20 -5.137 2.182 -10.049 1.00 0.00 C ATOM 300 NH1 ARG A 20 -3.822 2.103 -10.184 1.00 0.00 N ATOM 301 NH2 ARG A 20 -5.923 1.902 -11.082 1.00 0.00 N ATOM 0 H ARG A 20 -1.755 0.809 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.923 -0.864 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.632 1.344 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.960 0.449 -8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.405 1.043 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.076 1.914 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.443 3.543 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.972 3.385 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.686 2.588 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.214 2.316 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.417 1.829 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.936 1.960 -10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.513 1.629 -11.975 1.00 0.00 H new ATOM 315 N GLU A 21 -1.461 -1.479 -8.410 1.00 0.00 N ATOM 316 CA GLU A 21 -0.949 -2.459 -9.361 1.00 0.00 C ATOM 317 C GLU A 21 -0.842 -3.839 -8.717 1.00 0.00 C ATOM 318 O GLU A 21 -1.447 -4.802 -9.185 1.00 0.00 O ATOM 319 CB GLU A 21 0.419 -2.023 -9.891 1.00 0.00 C ATOM 320 CG GLU A 21 0.338 -1.035 -11.042 1.00 0.00 C ATOM 321 CD GLU A 21 1.601 -1.016 -11.882 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.569 -0.333 -11.486 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.621 -1.684 -12.938 1.00 0.00 O ATOM 0 H GLU A 21 -0.816 -0.717 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.650 -2.520 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.989 -1.574 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.971 -2.904 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.512 -1.289 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.153 -0.036 -10.647 1.00 0.00 H new ATOM 330 N ILE A 22 -0.066 -3.923 -7.640 1.00 0.00 N ATOM 331 CA ILE A 22 0.120 -5.183 -6.931 1.00 0.00 C ATOM 332 C ILE A 22 -1.212 -5.740 -6.442 1.00 0.00 C ATOM 333 O ILE A 22 -1.331 -6.933 -6.158 1.00 0.00 O ATOM 334 CB ILE A 22 1.068 -5.016 -5.729 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.431 -4.499 -6.193 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.219 -6.337 -4.988 1.00 0.00 C ATOM 337 CD1 ILE A 22 3.296 -3.983 -5.066 1.00 0.00 C ATOM 0 H ILE A 22 0.443 -3.134 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 22 0.564 -5.882 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 22 0.639 -4.284 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.959 -5.302 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.280 -3.700 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.892 -6.204 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.244 -6.666 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.630 -7.088 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.247 -3.633 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.788 -3.159 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.478 -4.785 -4.351 1.00 0.00 H new ATOM 349 N LYS A 23 -2.213 -4.872 -6.348 1.00 0.00 N ATOM 350 CA LYS A 23 -3.539 -5.276 -5.896 1.00 0.00 C ATOM 351 C LYS A 23 -4.329 -5.916 -7.032 1.00 0.00 C ATOM 352 O LYS A 23 -5.023 -6.911 -6.834 1.00 0.00 O ATOM 353 CB LYS A 23 -4.303 -4.070 -5.345 1.00 0.00 C ATOM 354 CG LYS A 23 -5.642 -4.430 -4.727 1.00 0.00 C ATOM 355 CD LYS A 23 -6.721 -4.585 -5.785 1.00 0.00 C ATOM 356 CE LYS A 23 -8.110 -4.381 -5.200 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.297 -2.995 -4.689 1.00 0.00 N ATOM 0 H LYS A 23 -2.131 -3.882 -6.579 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.416 -6.013 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.688 -3.573 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.465 -3.354 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.546 -5.359 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.936 -3.657 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.553 -3.865 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.655 -5.578 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.860 -4.591 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.271 -5.092 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.309 -2.756 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.933 -2.931 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.780 -2.328 -5.297 1.00 0.00 H new ATOM 371 N ASN A 24 -4.216 -5.338 -8.224 1.00 0.00 N ATOM 372 CA ASN A 24 -4.919 -5.854 -9.393 1.00 0.00 C ATOM 373 C ASN A 24 -4.232 -7.102 -9.936 1.00 0.00 C ATOM 374 O ASN A 24 -4.867 -7.951 -10.561 1.00 0.00 O ATOM 375 CB ASN A 24 -4.991 -4.783 -10.484 1.00 0.00 C ATOM 376 CG ASN A 24 -6.003 -5.122 -11.562 1.00 0.00 C ATOM 377 OD1 ASN A 24 -7.070 -5.665 -11.278 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.671 -4.802 -12.806 1.00 0.00 N ATOM 0 H ASN A 24 -3.645 -4.513 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.930 -6.122 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.252 -3.826 -10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.007 -4.664 -10.938 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.312 -5.005 -13.573 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.775 -4.353 -12.995 1.00 0.00 H new ATOM 385 N GLU A 25 -2.929 -7.207 -9.692 1.00 0.00 N ATOM 386 CA GLU A 25 -2.155 -8.353 -10.156 1.00 0.00 C ATOM 387 C GLU A 25 -2.417 -9.576 -9.283 1.00 0.00 C ATOM 388 O GLU A 25 -2.344 -10.714 -9.750 1.00 0.00 O ATOM 389 CB GLU A 25 -0.661 -8.021 -10.156 1.00 0.00 C ATOM 390 CG GLU A 25 0.024 -8.303 -8.829 1.00 0.00 C ATOM 391 CD GLU A 25 1.500 -7.957 -8.850 1.00 0.00 C ATOM 392 OE1 GLU A 25 1.875 -7.006 -9.566 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.279 -8.636 -8.149 1.00 0.00 O ATOM 0 H GLU A 25 -2.388 -6.513 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.468 -8.583 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.169 -8.598 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.531 -6.968 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.468 -7.732 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.095 -9.357 -8.580 1.00 0.00 H new ATOM 400 N LEU A 26 -2.721 -9.334 -8.013 1.00 0.00 N ATOM 401 CA LEU A 26 -2.992 -10.416 -7.073 1.00 0.00 C ATOM 402 C LEU A 26 -4.397 -10.974 -7.277 1.00 0.00 C ATOM 403 O LEU A 26 -4.640 -12.164 -7.069 1.00 0.00 O ATOM 404 CB LEU A 26 -2.832 -9.920 -5.634 1.00 0.00 C ATOM 405 CG LEU A 26 -3.513 -10.762 -4.554 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.859 -12.131 -4.454 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.465 -10.046 -3.212 1.00 0.00 C ATOM 0 H LEU A 26 -2.786 -8.399 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.273 -11.214 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.768 -9.865 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.223 -8.904 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.558 -10.901 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.356 -12.716 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.945 -12.646 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.806 -12.013 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.954 -10.659 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.427 -9.877 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.980 -9.089 -3.292 1.00 0.00 H new ATOM 419 N LEU A 27 -5.319 -10.110 -7.685 1.00 0.00 N ATOM 420 CA LEU A 27 -6.700 -10.516 -7.920 1.00 0.00 C ATOM 421 C LEU A 27 -6.814 -11.345 -9.195 1.00 0.00 C ATOM 422 O LEU A 27 -7.346 -12.454 -9.180 1.00 0.00 O ATOM 423 CB LEU A 27 -7.605 -9.288 -8.014 1.00 0.00 C ATOM 424 CG LEU A 27 -7.932 -8.592 -6.692 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.434 -7.178 -6.942 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.960 -9.394 -5.908 1.00 0.00 C ATOM 0 H LEU A 27 -5.135 -9.122 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.020 -11.131 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.132 -8.563 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.541 -9.587 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.019 -8.531 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.661 -6.699 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.666 -6.606 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.335 -7.215 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.181 -8.884 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.874 -9.486 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.563 -10.387 -5.696 1.00 0.00 H new ATOM 438 N GLN A 28 -6.308 -10.799 -10.297 1.00 0.00 N ATOM 439 CA GLN A 28 -6.352 -11.489 -11.580 1.00 0.00 C ATOM 440 C GLN A 28 -5.495 -12.751 -11.550 1.00 0.00 C ATOM 441 O GLN A 28 -5.913 -13.808 -12.020 1.00 0.00 O ATOM 442 CB GLN A 28 -5.875 -10.561 -12.699 1.00 0.00 C ATOM 443 CG GLN A 28 -6.964 -9.646 -13.237 1.00 0.00 C ATOM 444 CD GLN A 28 -6.516 -8.856 -14.450 1.00 0.00 C ATOM 445 OE1 GLN A 28 -5.398 -8.341 -14.491 1.00 0.00 O ATOM 446 NE2 GLN A 28 -7.388 -8.755 -15.446 1.00 0.00 N ATOM 0 H GLN A 28 -5.863 -9.882 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.385 -11.778 -11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.051 -9.952 -12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.482 -11.164 -13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.838 -10.243 -13.499 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.273 -8.955 -12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.304 -9.198 -15.369 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.142 -8.234 -16.288 1.00 0.00 H new ATOM 455 N ALA A 29 -4.293 -12.630 -10.995 1.00 0.00 N ATOM 456 CA ALA A 29 -3.378 -13.761 -10.903 1.00 0.00 C ATOM 457 C ALA A 29 -4.137 -15.064 -10.675 1.00 0.00 C ATOM 458 O ALA A 29 -5.127 -15.097 -9.946 1.00 0.00 O ATOM 459 CB ALA A 29 -2.370 -13.534 -9.786 1.00 0.00 C ATOM 0 H ALA A 29 -3.931 -11.761 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.844 -13.843 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.693 -14.386 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.798 -12.629 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.896 -13.424 -8.838 1.00 0.00 H new ATOM 465 N GLN A 30 -3.667 -16.135 -11.306 1.00 0.00 N ATOM 466 CA GLN A 30 -4.303 -17.440 -11.174 1.00 0.00 C ATOM 467 C GLN A 30 -3.806 -18.163 -9.926 1.00 0.00 C ATOM 468 O GLN A 30 -4.599 -18.595 -9.091 1.00 0.00 O ATOM 469 CB GLN A 30 -4.030 -18.293 -12.414 1.00 0.00 C ATOM 470 CG GLN A 30 -4.520 -17.661 -13.706 1.00 0.00 C ATOM 471 CD GLN A 30 -6.028 -17.501 -13.743 1.00 0.00 C ATOM 472 OE1 GLN A 30 -6.558 -16.436 -13.428 1.00 0.00 O ATOM 473 NE2 GLN A 30 -6.727 -18.562 -14.129 1.00 0.00 N ATOM 0 H GLN A 30 -2.848 -16.125 -11.914 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.378 -17.284 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.958 -18.474 -12.491 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.509 -19.264 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.052 -16.684 -13.829 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.203 -18.275 -14.549 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.246 -19.425 -14.381 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.745 -18.514 -14.173 1.00 0.00 H new ATOM 482 N ASN A 31 -2.489 -18.292 -9.808 1.00 0.00 N ATOM 483 CA ASN A 31 -1.886 -18.964 -8.662 1.00 0.00 C ATOM 484 C ASN A 31 -1.144 -17.969 -7.776 1.00 0.00 C ATOM 485 O ASN A 31 0.086 -17.958 -7.706 1.00 0.00 O ATOM 486 CB ASN A 31 -0.927 -20.059 -9.133 1.00 0.00 C ATOM 487 CG ASN A 31 -0.195 -20.721 -7.982 1.00 0.00 C ATOM 488 OD1 ASN A 31 1.005 -20.518 -7.795 1.00 0.00 O ATOM 489 ND2 ASN A 31 -0.916 -21.519 -7.203 1.00 0.00 N ATOM 0 H ASN A 31 -1.818 -17.940 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.686 -19.418 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.485 -20.814 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.201 -19.630 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.478 -21.992 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.908 -21.659 -7.395 1.00 0.00 H new ATOM 496 N PRO A 32 -1.907 -17.111 -7.082 1.00 0.00 N ATOM 497 CA PRO A 32 -1.343 -16.097 -6.187 1.00 0.00 C ATOM 498 C PRO A 32 -0.721 -16.708 -4.935 1.00 0.00 C ATOM 499 O PRO A 32 -0.232 -15.993 -4.061 1.00 0.00 O ATOM 500 CB PRO A 32 -2.555 -15.238 -5.816 1.00 0.00 C ATOM 501 CG PRO A 32 -3.725 -16.144 -5.982 1.00 0.00 C ATOM 502 CD PRO A 32 -3.378 -17.067 -7.117 1.00 0.00 C ATOM 0 HA PRO A 32 -0.536 -15.539 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.481 -14.870 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.635 -14.365 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.916 -16.705 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.629 -15.577 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.813 -18.057 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.746 -16.688 -8.070 1.00 0.00 H new ATOM 510 N SER A 33 -0.742 -18.035 -4.858 1.00 0.00 N ATOM 511 CA SER A 33 -0.183 -18.743 -3.712 1.00 0.00 C ATOM 512 C SER A 33 1.130 -18.105 -3.268 1.00 0.00 C ATOM 513 O SER A 33 1.330 -17.833 -2.085 1.00 0.00 O ATOM 514 CB SER A 33 0.044 -20.216 -4.058 1.00 0.00 C ATOM 515 OG SER A 33 -1.154 -20.961 -3.926 1.00 0.00 O ATOM 0 H SER A 33 -1.140 -18.641 -5.575 1.00 0.00 H new ATOM 0 HA SER A 33 -0.896 -18.676 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.417 -20.300 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.809 -20.633 -3.403 1.00 0.00 H new ATOM 0 HG SER A 33 -0.983 -21.899 -4.154 1.00 0.00 H new ATOM 521 N GLU A 34 2.022 -17.871 -4.226 1.00 0.00 N ATOM 522 CA GLU A 34 3.316 -17.266 -3.933 1.00 0.00 C ATOM 523 C GLU A 34 3.187 -15.752 -3.783 1.00 0.00 C ATOM 524 O GLU A 34 3.880 -15.137 -2.973 1.00 0.00 O ATOM 525 CB GLU A 34 4.319 -17.597 -5.039 1.00 0.00 C ATOM 526 CG GLU A 34 4.124 -16.778 -6.304 1.00 0.00 C ATOM 527 CD GLU A 34 2.990 -17.299 -7.167 1.00 0.00 C ATOM 528 OE1 GLU A 34 3.047 -18.479 -7.571 1.00 0.00 O ATOM 529 OE2 GLU A 34 2.048 -16.525 -7.438 1.00 0.00 O ATOM 0 H GLU A 34 1.872 -18.091 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 34 3.677 -17.677 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.329 -17.433 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.238 -18.656 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.923 -15.741 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.048 -16.784 -6.882 1.00 0.00 H new ATOM 536 N LEU A 35 2.297 -15.160 -4.571 1.00 0.00 N ATOM 537 CA LEU A 35 2.077 -13.718 -4.527 1.00 0.00 C ATOM 538 C LEU A 35 1.665 -13.273 -3.128 1.00 0.00 C ATOM 539 O LEU A 35 1.917 -12.135 -2.728 1.00 0.00 O ATOM 540 CB LEU A 35 1.005 -13.314 -5.541 1.00 0.00 C ATOM 541 CG LEU A 35 1.416 -13.374 -7.012 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.391 -12.664 -7.882 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.797 -12.763 -7.205 1.00 0.00 C ATOM 0 H LEU A 35 1.716 -15.655 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 35 3.014 -13.224 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.138 -13.960 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.685 -12.297 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 35 1.457 -14.420 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.701 -12.717 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.580 -13.145 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.317 -11.620 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.074 -12.814 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.782 -11.721 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.525 -13.315 -6.611 1.00 0.00 H new ATOM 555 N TYR A 36 1.031 -14.175 -2.389 1.00 0.00 N ATOM 556 CA TYR A 36 0.583 -13.876 -1.034 1.00 0.00 C ATOM 557 C TYR A 36 1.719 -13.286 -0.202 1.00 0.00 C ATOM 558 O TYR A 36 1.538 -12.292 0.502 1.00 0.00 O ATOM 559 CB TYR A 36 0.045 -15.139 -0.361 1.00 0.00 C ATOM 560 CG TYR A 36 -1.260 -15.628 -0.946 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.292 -14.742 -1.232 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.462 -16.977 -1.214 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.486 -15.185 -1.766 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.653 -17.428 -1.749 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.663 -16.528 -2.023 1.00 0.00 C ATOM 566 OH TYR A 36 -4.850 -16.973 -2.556 1.00 0.00 O ATOM 0 H TYR A 36 0.815 -15.120 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.217 -13.139 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.790 -15.930 -0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.094 -14.943 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.158 -13.689 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.674 -17.684 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.278 -14.483 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.793 -18.479 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.810 -17.945 -2.677 1.00 0.00 H new ATOM 576 N LEU A 37 2.890 -13.907 -0.289 1.00 0.00 N ATOM 577 CA LEU A 37 4.057 -13.446 0.454 1.00 0.00 C ATOM 578 C LEU A 37 4.835 -12.406 -0.344 1.00 0.00 C ATOM 579 O LEU A 37 5.046 -11.284 0.117 1.00 0.00 O ATOM 580 CB LEU A 37 4.968 -14.627 0.797 1.00 0.00 C ATOM 581 CG LEU A 37 4.619 -15.394 2.073 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.289 -14.755 3.280 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.111 -15.452 2.266 1.00 0.00 C ATOM 0 H LEU A 37 3.056 -14.731 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 37 3.708 -12.983 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.954 -15.326 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.990 -14.258 0.886 1.00 0.00 H new ATOM 0 HG LEU A 37 4.991 -16.414 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.029 -15.314 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.371 -14.767 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.948 -13.725 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.882 -16.002 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.715 -14.439 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.654 -15.957 1.415 1.00 0.00 H new ATOM 595 N SER A 38 5.257 -12.783 -1.547 1.00 0.00 N ATOM 596 CA SER A 38 6.013 -11.883 -2.410 1.00 0.00 C ATOM 597 C SER A 38 5.403 -10.485 -2.403 1.00 0.00 C ATOM 598 O SER A 38 6.086 -9.500 -2.123 1.00 0.00 O ATOM 599 CB SER A 38 6.052 -12.427 -3.839 1.00 0.00 C ATOM 600 OG SER A 38 6.842 -13.602 -3.917 1.00 0.00 O ATOM 0 H SER A 38 5.088 -13.706 -1.946 1.00 0.00 H new ATOM 0 HA SER A 38 7.031 -11.819 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.038 -12.644 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.456 -11.668 -4.509 1.00 0.00 H new ATOM 0 HG SER A 38 6.849 -13.931 -4.840 1.00 0.00 H new ATOM 606 N SER A 39 4.113 -10.406 -2.712 1.00 0.00 N ATOM 607 CA SER A 39 3.411 -9.129 -2.745 1.00 0.00 C ATOM 608 C SER A 39 3.481 -8.436 -1.388 1.00 0.00 C ATOM 609 O SER A 39 3.979 -7.315 -1.274 1.00 0.00 O ATOM 610 CB SER A 39 1.950 -9.336 -3.151 1.00 0.00 C ATOM 611 OG SER A 39 1.856 -9.923 -4.437 1.00 0.00 O ATOM 0 H SER A 39 3.532 -11.212 -2.943 1.00 0.00 H new ATOM 0 HA SER A 39 3.899 -8.493 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.453 -9.973 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.429 -8.379 -3.146 1.00 0.00 H new ATOM 0 HG SER A 39 1.971 -10.893 -4.363 1.00 0.00 H new ATOM 617 N LYS A 40 2.977 -9.109 -0.360 1.00 0.00 N ATOM 618 CA LYS A 40 2.982 -8.561 0.992 1.00 0.00 C ATOM 619 C LYS A 40 4.317 -7.892 1.302 1.00 0.00 C ATOM 620 O LYS A 40 4.377 -6.687 1.552 1.00 0.00 O ATOM 621 CB LYS A 40 2.704 -9.666 2.013 1.00 0.00 C ATOM 622 CG LYS A 40 2.060 -9.163 3.293 1.00 0.00 C ATOM 623 CD LYS A 40 1.369 -10.285 4.049 1.00 0.00 C ATOM 624 CE LYS A 40 2.359 -11.094 4.872 1.00 0.00 C ATOM 625 NZ LYS A 40 1.687 -11.844 5.970 1.00 0.00 N ATOM 0 H LYS A 40 2.559 -10.036 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 40 2.195 -7.809 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.054 -10.414 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.641 -10.166 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.820 -8.709 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.336 -8.384 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.605 -9.867 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.859 -10.941 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.884 -11.794 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.110 -10.427 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.397 -12.157 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.995 -11.226 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.198 -12.673 5.576 1.00 0.00 H new ATOM 639 N THR A 41 5.387 -8.680 1.283 1.00 0.00 N ATOM 640 CA THR A 41 6.722 -8.163 1.562 1.00 0.00 C ATOM 641 C THR A 41 6.906 -6.769 0.973 1.00 0.00 C ATOM 642 O THR A 41 7.277 -5.832 1.679 1.00 0.00 O ATOM 643 CB THR A 41 7.813 -9.093 1.001 1.00 0.00 C ATOM 644 OG1 THR A 41 7.630 -10.422 1.502 1.00 0.00 O ATOM 645 CG2 THR A 41 9.199 -8.591 1.377 1.00 0.00 C ATOM 0 H THR A 41 5.356 -9.679 1.077 1.00 0.00 H new ATOM 0 HA THR A 41 6.821 -8.112 2.646 1.00 0.00 H new ATOM 0 HB THR A 41 7.729 -9.100 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.910 -10.863 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.953 -9.265 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.347 -7.591 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.292 -8.557 2.463 1.00 0.00 H new ATOM 653 N GLU A 42 6.643 -6.640 -0.323 1.00 0.00 N ATOM 654 CA GLU A 42 6.781 -5.359 -1.006 1.00 0.00 C ATOM 655 C GLU A 42 5.825 -4.325 -0.420 1.00 0.00 C ATOM 656 O GLU A 42 6.250 -3.279 0.074 1.00 0.00 O ATOM 657 CB GLU A 42 6.515 -5.523 -2.504 1.00 0.00 C ATOM 658 CG GLU A 42 6.484 -4.207 -3.265 1.00 0.00 C ATOM 659 CD GLU A 42 7.871 -3.664 -3.547 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.783 -4.475 -3.816 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.046 -2.429 -3.498 1.00 0.00 O ATOM 0 H GLU A 42 6.333 -7.406 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 42 7.803 -5.008 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.286 -6.163 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.563 -6.035 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.955 -4.349 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.920 -3.472 -2.690 1.00 0.00 H new ATOM 668 N LEU A 43 4.532 -4.623 -0.478 1.00 0.00 N ATOM 669 CA LEU A 43 3.513 -3.719 0.047 1.00 0.00 C ATOM 670 C LEU A 43 4.005 -3.019 1.310 1.00 0.00 C ATOM 671 O LEU A 43 4.014 -1.791 1.385 1.00 0.00 O ATOM 672 CB LEU A 43 2.225 -4.488 0.345 1.00 0.00 C ATOM 673 CG LEU A 43 1.479 -5.044 -0.868 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.421 -6.046 -0.432 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.847 -3.914 -1.669 1.00 0.00 C ATOM 0 H LEU A 43 4.164 -5.483 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 43 3.309 -2.962 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.466 -5.318 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.550 -3.829 0.891 1.00 0.00 H new ATOM 0 HG LEU A 43 2.197 -5.559 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.099 -6.431 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.897 -6.871 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.294 -5.556 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.320 -4.328 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.143 -3.371 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.625 -3.233 -2.014 1.00 0.00 H new ATOM 687 N GLN A 44 4.416 -3.809 2.296 1.00 0.00 N ATOM 688 CA GLN A 44 4.911 -3.264 3.555 1.00 0.00 C ATOM 689 C GLN A 44 5.964 -2.190 3.306 1.00 0.00 C ATOM 690 O GLN A 44 5.983 -1.158 3.976 1.00 0.00 O ATOM 691 CB GLN A 44 5.497 -4.379 4.422 1.00 0.00 C ATOM 692 CG GLN A 44 4.444 -5.232 5.111 1.00 0.00 C ATOM 693 CD GLN A 44 5.036 -6.442 5.806 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.251 -6.639 5.807 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.178 -7.262 6.401 1.00 0.00 N ATOM 0 H GLN A 44 4.416 -4.828 2.248 1.00 0.00 H new ATOM 0 HA GLN A 44 4.071 -2.809 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.122 -5.020 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.146 -3.937 5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.910 -4.624 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.711 -5.563 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.178 -7.060 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.518 -8.094 6.884 1.00 0.00 H new ATOM 704 N GLY A 45 6.840 -2.440 2.338 1.00 0.00 N ATOM 705 CA GLY A 45 7.885 -1.485 2.018 1.00 0.00 C ATOM 706 C GLY A 45 7.332 -0.134 1.610 1.00 0.00 C ATOM 707 O GLY A 45 7.653 0.887 2.218 1.00 0.00 O ATOM 0 H GLY A 45 6.845 -3.287 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.537 -1.361 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.500 -1.881 1.210 1.00 0.00 H new ATOM 711 N LEU A 46 6.498 -0.127 0.575 1.00 0.00 N ATOM 712 CA LEU A 46 5.899 1.108 0.084 1.00 0.00 C ATOM 713 C LEU A 46 5.447 1.993 1.241 1.00 0.00 C ATOM 714 O LEU A 46 5.766 3.181 1.288 1.00 0.00 O ATOM 715 CB LEU A 46 4.711 0.796 -0.827 1.00 0.00 C ATOM 716 CG LEU A 46 5.030 0.015 -2.103 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.756 -0.527 -2.731 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.781 0.895 -3.092 1.00 0.00 C ATOM 0 H LEU A 46 6.222 -0.963 0.060 1.00 0.00 H new ATOM 0 HA LEU A 46 6.656 1.646 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.977 0.230 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.238 1.737 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 46 5.667 -0.829 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.004 -1.079 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.257 -1.192 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.093 0.301 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.000 0.324 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.168 1.758 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.714 1.234 -2.642 1.00 0.00 H new ATOM 730 N ILE A 47 4.707 1.404 2.174 1.00 0.00 N ATOM 731 CA ILE A 47 4.214 2.138 3.334 1.00 0.00 C ATOM 732 C ILE A 47 5.335 2.927 4.001 1.00 0.00 C ATOM 733 O ILE A 47 5.153 4.083 4.382 1.00 0.00 O ATOM 734 CB ILE A 47 3.581 1.192 4.371 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.430 0.404 3.740 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.091 1.980 5.577 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.776 -0.574 4.690 1.00 0.00 C ATOM 0 H ILE A 47 4.435 0.421 2.150 1.00 0.00 H new ATOM 0 HA ILE A 47 3.452 2.828 2.971 1.00 0.00 H new ATOM 0 HB ILE A 47 4.340 0.485 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.677 1.104 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.805 -0.140 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.646 1.298 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.931 2.500 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.345 2.707 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.970 -1.097 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.516 -1.297 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.371 -0.034 5.546 1.00 0.00 H new ATOM 749 N GLY A 48 6.498 2.297 4.135 1.00 0.00 N ATOM 750 CA GLY A 48 7.633 2.956 4.755 1.00 0.00 C ATOM 751 C GLY A 48 7.833 4.369 4.242 1.00 0.00 C ATOM 752 O GLY A 48 8.313 5.237 4.970 1.00 0.00 O ATOM 0 H GLY A 48 6.675 1.341 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.489 2.982 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.535 2.373 4.567 1.00 0.00 H new ATOM 756 N GLN A 49 7.466 4.597 2.985 1.00 0.00 N ATOM 757 CA GLN A 49 7.611 5.915 2.375 1.00 0.00 C ATOM 758 C GLN A 49 6.694 6.930 3.049 1.00 0.00 C ATOM 759 O GLN A 49 7.063 8.091 3.231 1.00 0.00 O ATOM 760 CB GLN A 49 7.302 5.843 0.879 1.00 0.00 C ATOM 761 CG GLN A 49 8.325 5.048 0.084 1.00 0.00 C ATOM 762 CD GLN A 49 7.850 4.726 -1.319 1.00 0.00 C ATOM 763 OE1 GLN A 49 6.692 4.361 -1.527 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.744 4.860 -2.292 1.00 0.00 N ATOM 0 H GLN A 49 7.067 3.888 2.370 1.00 0.00 H new ATOM 0 HA GLN A 49 8.643 6.240 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.318 5.394 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.250 6.855 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.255 5.613 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.547 4.120 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.693 5.165 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.482 4.658 -3.257 1.00 0.00 H new ATOM 773 N LEU A 50 5.497 6.486 3.416 1.00 0.00 N ATOM 774 CA LEU A 50 4.526 7.356 4.069 1.00 0.00 C ATOM 775 C LEU A 50 5.092 7.930 5.364 1.00 0.00 C ATOM 776 O LEU A 50 5.083 9.143 5.575 1.00 0.00 O ATOM 777 CB LEU A 50 3.236 6.587 4.360 1.00 0.00 C ATOM 778 CG LEU A 50 2.386 6.217 3.145 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.417 5.098 3.490 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.634 7.436 2.629 1.00 0.00 C ATOM 0 H LEU A 50 5.176 5.529 3.272 1.00 0.00 H new ATOM 0 HA LEU A 50 4.305 8.182 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.495 5.670 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.625 7.185 5.037 1.00 0.00 H new ATOM 0 HG LEU A 50 3.050 5.863 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.821 4.849 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.976 4.219 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.758 5.423 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.034 7.154 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.982 7.820 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.347 8.208 2.340 1.00 0.00 H new ATOM 792 N ASP A 51 5.587 7.049 6.229 1.00 0.00 N ATOM 793 CA ASP A 51 6.162 7.467 7.502 1.00 0.00 C ATOM 794 C ASP A 51 6.952 8.763 7.342 1.00 0.00 C ATOM 795 O ASP A 51 6.903 9.640 8.203 1.00 0.00 O ATOM 796 CB ASP A 51 7.066 6.369 8.062 1.00 0.00 C ATOM 797 CG ASP A 51 6.304 5.363 8.902 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.062 5.471 8.974 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.949 4.469 9.489 1.00 0.00 O ATOM 0 H ASP A 51 5.601 6.041 6.071 1.00 0.00 H new ATOM 0 HA ASP A 51 5.345 7.645 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.557 5.852 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.851 6.822 8.667 1.00 0.00 H new ATOM 804 N GLU A 52 7.681 8.873 6.236 1.00 0.00 N ATOM 805 CA GLU A 52 8.482 10.060 5.966 1.00 0.00 C ATOM 806 C GLU A 52 7.611 11.313 5.947 1.00 0.00 C ATOM 807 O GLU A 52 7.916 12.306 6.607 1.00 0.00 O ATOM 808 CB GLU A 52 9.214 9.915 4.630 1.00 0.00 C ATOM 809 CG GLU A 52 10.272 8.825 4.631 1.00 0.00 C ATOM 810 CD GLU A 52 10.889 8.609 3.262 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.301 7.853 2.461 1.00 0.00 O ATOM 812 OE2 GLU A 52 11.958 9.194 2.993 1.00 0.00 O ATOM 0 H GLU A 52 7.733 8.155 5.513 1.00 0.00 H new ATOM 0 HA GLU A 52 9.216 10.161 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.486 9.702 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.684 10.866 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.056 9.086 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.827 7.892 4.976 1.00 0.00 H new ATOM 819 N VAL A 53 6.523 11.259 5.185 1.00 0.00 N ATOM 820 CA VAL A 53 5.606 12.388 5.079 1.00 0.00 C ATOM 821 C VAL A 53 4.860 12.614 6.390 1.00 0.00 C ATOM 822 O VAL A 53 4.391 11.666 7.020 1.00 0.00 O ATOM 823 CB VAL A 53 4.583 12.175 3.948 1.00 0.00 C ATOM 824 CG1 VAL A 53 3.593 13.330 3.899 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.292 12.014 2.612 1.00 0.00 C ATOM 0 H VAL A 53 6.255 10.445 4.632 1.00 0.00 H new ATOM 0 HA VAL A 53 6.209 13.267 4.852 1.00 0.00 H new ATOM 0 HB VAL A 53 4.028 11.259 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.878 13.162 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.062 13.394 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.129 14.262 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.554 11.864 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.874 12.911 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.957 11.151 2.655 1.00 0.00 H new ATOM 941 N ILE A 61 -2.265 16.619 3.366 1.00 0.00 N ATOM 942 CA ILE A 61 -1.203 15.717 3.798 1.00 0.00 C ATOM 943 C ILE A 61 -1.681 14.804 4.922 1.00 0.00 C ATOM 944 O ILE A 61 -1.247 13.658 5.032 1.00 0.00 O ATOM 945 CB ILE A 61 0.037 16.494 4.275 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.529 17.438 3.177 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.140 15.530 4.686 1.00 0.00 C ATOM 948 CD1 ILE A 61 1.174 16.723 2.010 1.00 0.00 C ATOM 0 HA ILE A 61 -0.931 15.113 2.933 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.239 17.092 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.312 18.027 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.246 18.138 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.010 16.094 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.785 14.895 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.416 14.909 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.499 17.454 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.036 16.156 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.453 16.043 1.556 1.00 0.00 H new ATOM 960 N ARG A 62 -2.580 15.320 5.753 1.00 0.00 N ATOM 961 CA ARG A 62 -3.119 14.551 6.869 1.00 0.00 C ATOM 962 C ARG A 62 -4.083 13.476 6.374 1.00 0.00 C ATOM 963 O ARG A 62 -4.303 12.470 7.047 1.00 0.00 O ATOM 964 CB ARG A 62 -3.834 15.476 7.856 1.00 0.00 C ATOM 965 CG ARG A 62 -5.196 15.945 7.374 1.00 0.00 C ATOM 966 CD ARG A 62 -5.864 16.857 8.391 1.00 0.00 C ATOM 967 NE ARG A 62 -7.051 17.510 7.846 1.00 0.00 N ATOM 968 CZ ARG A 62 -7.589 18.608 8.364 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.049 19.174 9.435 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.671 19.143 7.811 1.00 0.00 N ATOM 0 H ARG A 62 -2.951 16.267 5.675 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.287 14.063 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.954 14.956 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.206 16.346 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.086 16.474 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.833 15.081 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.142 16.276 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.153 17.615 8.720 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.491 17.100 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.218 18.766 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.465 20.017 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.090 18.711 6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.084 19.986 8.210 1.00 0.00 H new ATOM 984 N GLU A 63 -4.653 13.698 5.195 1.00 0.00 N ATOM 985 CA GLU A 63 -5.594 12.748 4.611 1.00 0.00 C ATOM 986 C GLU A 63 -4.877 11.776 3.679 1.00 0.00 C ATOM 987 O GLU A 63 -4.930 10.562 3.873 1.00 0.00 O ATOM 988 CB GLU A 63 -6.693 13.490 3.846 1.00 0.00 C ATOM 989 CG GLU A 63 -8.011 12.738 3.793 1.00 0.00 C ATOM 990 CD GLU A 63 -9.151 13.593 3.273 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.524 14.565 3.964 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.668 13.292 2.178 1.00 0.00 O ATOM 0 H GLU A 63 -4.481 14.526 4.625 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.047 12.179 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.857 14.461 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.351 13.679 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.899 11.861 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.259 12.377 4.791 1.00 0.00 H new ATOM 999 N ALA A 64 -4.209 12.318 2.667 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.481 11.500 1.705 1.00 0.00 C ATOM 1001 C ALA A 64 -2.684 10.407 2.408 1.00 0.00 C ATOM 1002 O ALA A 64 -2.626 9.269 1.939 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.559 12.369 0.863 1.00 0.00 C ATOM 0 H ALA A 64 -4.157 13.321 2.492 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.208 11.020 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.022 11.744 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.149 13.110 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.844 12.876 1.511 1.00 0.00 H new ATOM 1009 N ARG A 65 -2.071 10.758 3.533 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.275 9.806 4.299 1.00 0.00 C ATOM 1011 C ARG A 65 -2.162 8.730 4.919 1.00 0.00 C ATOM 1012 O ARG A 65 -2.111 7.565 4.522 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.492 10.529 5.396 1.00 0.00 C ATOM 1014 CG ARG A 65 0.321 9.597 6.280 1.00 0.00 C ATOM 1015 CD ARG A 65 1.471 10.330 6.952 1.00 0.00 C ATOM 1016 NE ARG A 65 1.897 9.668 8.182 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.322 9.871 9.362 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.303 10.711 9.472 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.767 9.231 10.437 1.00 0.00 N ATOM 0 H ARG A 65 -2.110 11.695 3.935 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.573 9.326 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.178 11.254 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.189 11.090 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.326 9.158 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.713 8.775 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.313 10.392 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.167 11.352 7.177 1.00 0.00 H new ATOM 0 HE ARG A 65 2.678 9.014 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.042 11.204 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.136 10.864 10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.551 8.583 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.325 9.387 11.343 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.975 9.128 5.892 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.872 8.198 6.567 1.00 0.00 C ATOM 1035 C ARG A 66 -4.610 7.324 5.556 1.00 0.00 C ATOM 1036 O ARG A 66 -4.569 6.095 5.637 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.881 8.962 7.427 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.702 8.067 8.341 1.00 0.00 C ATOM 1039 CD ARG A 66 -7.062 8.678 8.641 1.00 0.00 C ATOM 1040 NE ARG A 66 -8.069 7.659 8.927 1.00 0.00 N ATOM 1041 CZ ARG A 66 -9.361 7.925 9.082 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -9.801 9.171 8.980 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -10.215 6.943 9.340 1.00 0.00 N ATOM 0 H ARG A 66 -3.031 10.089 6.231 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.271 7.554 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.348 9.695 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.555 9.517 6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.835 7.091 7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.162 7.903 9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.976 9.352 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.385 9.278 7.791 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.763 6.690 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.147 9.928 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.794 9.373 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.879 5.983 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.207 7.148 9.459 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.282 7.965 4.605 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.029 7.246 3.580 1.00 0.00 C ATOM 1059 C ARG A 67 -5.177 6.142 2.960 1.00 0.00 C ATOM 1060 O ARG A 67 -5.602 4.991 2.875 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.503 8.212 2.493 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.376 7.556 1.435 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.106 8.593 0.595 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.290 9.112 1.274 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.376 8.387 1.514 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -10.428 7.117 1.133 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -11.414 8.929 2.138 1.00 0.00 N ATOM 0 H ARG A 67 -5.324 8.981 4.523 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.898 6.788 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.060 9.025 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.633 8.657 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.759 6.931 0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.101 6.899 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.429 9.416 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.399 8.148 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.282 10.085 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.632 6.695 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.264 6.563 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.379 9.904 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.247 8.370 2.321 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.974 6.504 2.527 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.062 5.545 1.916 1.00 0.00 C ATOM 1083 C ALA A 68 -2.784 4.375 2.855 1.00 0.00 C ATOM 1084 O ALA A 68 -2.969 3.214 2.488 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.760 6.229 1.525 1.00 0.00 C ATOM 0 H ALA A 68 -3.608 7.454 2.588 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.538 5.152 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.089 5.501 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.968 7.026 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.290 6.651 2.413 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.342 4.688 4.069 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.040 3.663 5.061 1.00 0.00 C ATOM 1093 C VAL A 69 -3.082 2.550 5.034 1.00 0.00 C ATOM 1094 O VAL A 69 -2.739 1.366 5.052 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.976 4.257 6.480 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.724 3.163 7.506 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.901 5.331 6.559 1.00 0.00 C ATOM 0 H VAL A 69 -2.185 5.644 4.389 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.064 3.250 4.804 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.937 4.719 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.682 3.602 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.532 2.433 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.777 2.669 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.869 5.740 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.067 4.895 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.130 6.128 5.851 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.351 2.936 4.991 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.443 1.970 4.960 1.00 0.00 C ATOM 1109 C ILE A 70 -5.532 1.284 3.601 1.00 0.00 C ATOM 1110 O ILE A 70 -5.478 0.058 3.510 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.794 2.637 5.275 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.741 3.331 6.637 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.914 1.608 5.242 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.752 4.445 6.789 1.00 0.00 C ATOM 0 H ILE A 70 -4.650 3.911 4.977 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.227 1.226 5.727 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.996 3.390 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.908 2.591 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.741 3.736 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.863 2.095 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.964 1.156 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.719 0.834 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.656 4.891 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.572 5.206 6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.758 4.043 6.668 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.665 2.084 2.548 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.760 1.552 1.193 1.00 0.00 C ATOM 1128 C GLU A 71 -4.685 0.499 0.946 1.00 0.00 C ATOM 1129 O GLU A 71 -4.875 -0.426 0.155 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.629 2.681 0.169 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.955 3.325 -0.201 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.820 2.424 -1.062 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.692 1.187 -0.943 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.626 2.956 -1.853 1.00 0.00 O ATOM 0 H GLU A 71 -5.709 3.101 2.606 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.737 1.081 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.962 3.446 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.161 2.289 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.497 3.581 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.766 4.258 -0.733 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.553 0.645 1.627 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.446 -0.293 1.482 1.00 0.00 C ATOM 1143 C VAL A 72 -2.581 -1.456 2.459 1.00 0.00 C ATOM 1144 O VAL A 72 -2.560 -2.620 2.059 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.089 0.400 1.710 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.055 -0.555 1.405 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.986 1.658 0.862 1.00 0.00 C ATOM 0 H VAL A 72 -3.378 1.404 2.285 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.484 -0.673 0.461 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.018 0.690 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.006 -0.049 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.013 -1.424 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.007 -0.877 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.022 2.135 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.077 1.395 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.786 2.347 1.134 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.719 -1.133 3.741 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.857 -2.152 4.774 1.00 0.00 C ATOM 1159 C GLN A 73 -3.996 -3.111 4.445 1.00 0.00 C ATOM 1160 O GLN A 73 -3.966 -4.282 4.826 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.103 -1.497 6.135 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.831 -1.034 6.827 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.102 -2.164 7.526 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.685 -3.210 7.815 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.180 -1.960 7.801 1.00 0.00 N ATOM 0 H GLN A 73 -2.738 -0.174 4.089 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.928 -2.721 4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.766 -0.642 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.621 -2.205 6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.167 -0.579 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.079 -0.261 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.623 -1.078 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.723 -2.685 8.270 1.00 0.00 H new ATOM 1174 N THR A 74 -5.000 -2.608 3.734 1.00 0.00 N ATOM 1175 CA THR A 74 -6.150 -3.419 3.354 1.00 0.00 C ATOM 1176 C THR A 74 -5.710 -4.757 2.770 1.00 0.00 C ATOM 1177 O THR A 74 -6.264 -5.805 3.105 1.00 0.00 O ATOM 1178 CB THR A 74 -7.038 -2.691 2.328 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.419 -1.407 2.834 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.281 -3.507 2.011 1.00 0.00 C ATOM 0 H THR A 74 -5.040 -1.642 3.409 1.00 0.00 H new ATOM 0 HA THR A 74 -6.727 -3.594 4.262 1.00 0.00 H new ATOM 0 HB THR A 74 -6.464 -2.563 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.653 -0.798 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.892 -2.972 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.987 -4.472 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.856 -3.663 2.924 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.711 -4.715 1.896 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.195 -5.925 1.264 1.00 0.00 C ATOM 1190 C LEU A 75 -3.505 -6.821 2.288 1.00 0.00 C ATOM 1191 O LEU A 75 -3.859 -7.991 2.440 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.217 -5.563 0.145 1.00 0.00 C ATOM 1193 CG LEU A 75 -3.844 -5.134 -1.182 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -2.844 -4.347 -2.015 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.343 -6.348 -1.952 1.00 0.00 C ATOM 0 H LEU A 75 -4.242 -3.856 1.608 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.037 -6.471 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.575 -4.756 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.574 -6.424 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.696 -4.488 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.308 -4.050 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.534 -3.457 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.973 -4.969 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.786 -6.025 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.508 -7.018 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.093 -6.872 -1.359 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.523 -6.265 2.987 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.787 -7.013 3.999 1.00 0.00 C ATOM 1209 C ILE A 76 -2.720 -7.904 4.811 1.00 0.00 C ATOM 1210 O ILE A 76 -2.398 -9.056 5.105 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.032 -6.072 4.957 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.057 -5.189 4.175 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.293 -6.877 6.016 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.635 -4.151 5.030 1.00 0.00 C ATOM 0 H ILE A 76 -2.218 -5.299 2.872 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.065 -7.634 3.469 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.756 -5.428 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.696 -5.821 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.598 -4.686 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.236 -6.199 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.008 -7.468 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.423 -7.542 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.311 -3.561 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.110 -3.495 5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.204 -4.648 5.816 1.00 0.00 H new ATOM 1226 N THR A 77 -3.882 -7.365 5.170 1.00 0.00 N ATOM 1227 CA THR A 77 -4.862 -8.111 5.948 1.00 0.00 C ATOM 1228 C THR A 77 -5.555 -9.167 5.092 1.00 0.00 C ATOM 1229 O THR A 77 -5.730 -10.308 5.519 1.00 0.00 O ATOM 1230 CB THR A 77 -5.928 -7.177 6.552 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.302 -6.188 7.376 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.936 -7.966 7.374 1.00 0.00 C ATOM 0 H THR A 77 -4.166 -6.414 4.934 1.00 0.00 H new ATOM 0 HA THR A 77 -4.318 -8.601 6.756 1.00 0.00 H new ATOM 0 HB THR A 77 -6.455 -6.687 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.986 -5.597 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.679 -7.285 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.432 -8.698 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.421 -8.481 8.185 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.944 -8.778 3.883 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.619 -9.691 2.968 1.00 0.00 C ATOM 1242 C TYR A 78 -5.793 -10.956 2.753 1.00 0.00 C ATOM 1243 O TYR A 78 -6.331 -12.063 2.715 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.877 -9.004 1.626 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.305 -9.955 0.531 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.424 -10.764 0.684 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.591 -10.042 -0.658 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.818 -11.634 -0.313 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.979 -10.909 -1.662 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.093 -11.703 -1.484 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.483 -12.568 -2.481 1.00 0.00 O ATOM 0 H TYR A 78 -5.804 -7.838 3.514 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.573 -9.972 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.648 -8.245 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.971 -8.486 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.996 -10.711 1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.718 -9.422 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.689 -12.257 -0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.413 -10.965 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.866 -12.493 -3.239 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.483 -10.783 2.615 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.582 -11.910 2.406 1.00 0.00 C ATOM 1263 C ILE A 79 -3.477 -12.769 3.662 1.00 0.00 C ATOM 1264 O ILE A 79 -3.541 -13.997 3.593 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.173 -11.437 2.002 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.239 -10.608 0.718 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.245 -12.629 1.822 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -0.985 -9.802 0.454 1.00 0.00 C ATOM 0 H ILE A 79 -4.022 -9.874 2.644 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.003 -12.505 1.595 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.774 -10.809 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.418 -11.274 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.091 -9.931 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.253 -12.278 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.178 -13.183 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.638 -13.281 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.102 -9.239 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.816 -9.111 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.132 -10.475 0.364 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.316 -12.117 4.807 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.206 -12.820 6.080 1.00 0.00 C ATOM 1282 C ASP A 80 -4.355 -13.808 6.256 1.00 0.00 C ATOM 1283 O ASP A 80 -4.154 -14.937 6.706 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.191 -11.823 7.239 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.396 -12.495 8.583 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.411 -13.025 9.138 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.541 -12.490 9.080 1.00 0.00 O ATOM 0 H ASP A 80 -3.259 -11.101 4.880 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.269 -13.377 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.240 -11.290 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.973 -11.079 7.085 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.559 -13.376 5.900 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.742 -14.222 6.020 1.00 0.00 C ATOM 1294 C LEU A 81 -6.671 -15.398 5.049 1.00 0.00 C ATOM 1295 O LEU A 81 -6.770 -16.557 5.453 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.007 -13.404 5.756 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.176 -12.138 6.597 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.997 -11.102 5.845 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.823 -12.468 7.935 1.00 0.00 C ATOM 0 H LEU A 81 -5.743 -12.445 5.526 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.776 -14.615 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.019 -13.121 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.872 -14.046 5.924 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.189 -11.718 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.106 -10.208 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.492 -10.843 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.982 -11.511 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.935 -11.555 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.803 -12.913 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.194 -13.173 8.479 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.499 -15.090 3.768 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.412 -16.120 2.740 1.00 0.00 C ATOM 1313 C LYS A 82 -5.337 -17.146 3.087 1.00 0.00 C ATOM 1314 O LYS A 82 -5.517 -18.343 2.871 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.108 -15.487 1.380 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.349 -15.047 0.623 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.025 -16.220 -0.070 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.500 -15.945 -0.318 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.210 -17.152 -0.826 1.00 0.00 N ATOM 0 H LYS A 82 -6.417 -14.136 3.417 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.374 -16.631 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.458 -14.625 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.556 -16.203 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.050 -14.578 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.077 -14.294 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.527 -16.420 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.918 -17.116 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.968 -15.611 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.602 -15.133 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.213 -16.925 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.780 -17.456 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.134 -17.919 -0.128 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.220 -16.666 3.626 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.117 -17.543 4.002 1.00 0.00 C ATOM 1335 C GLU A 83 -3.626 -18.754 4.778 1.00 0.00 C ATOM 1336 O GLU A 83 -3.136 -19.870 4.599 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.093 -16.778 4.844 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.036 -16.065 4.016 1.00 0.00 C ATOM 1339 CD GLU A 83 0.078 -15.486 4.866 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.743 -16.264 5.582 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.285 -14.256 4.815 1.00 0.00 O ATOM 0 H GLU A 83 -4.055 -15.677 3.812 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.637 -17.894 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.615 -16.046 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.602 -17.474 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.612 -16.764 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.506 -15.264 3.445 1.00 0.00 H new