USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 509 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 37 GLN : amide:sc= -4.59! C(o=-4.6!,f=-3.5!) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.238 USER MOD Single : A 5 SER OG : rot 35:sc= 0.426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.52 K(o=-1.5,f=-9.2!) USER MOD Single : A 17 ASN : amide:sc= -0.85! C(o=-0.85!,f=-3.7!) USER MOD Single : A 20 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 21 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.5!) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.212 (180deg=-1.51!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.015) USER MOD Single : A 50 THR OG1 : rot -37:sc= -1.71 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.214 X(o=0.21,f=-0.049) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.921 17.122 -0.280 1.00 0.00 N ATOM 2 CA GLY A 1 -16.421 15.903 0.327 1.00 0.00 C ATOM 3 C GLY A 1 -14.909 15.811 0.283 1.00 0.00 C ATOM 4 O GLY A 1 -14.213 16.611 0.910 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.959 17.137 -0.224 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.535 17.945 0.226 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.627 17.159 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.755 15.854 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.849 15.043 -0.187 1.00 0.00 H new ATOM 8 N SER A 2 -14.398 14.833 -0.457 1.00 0.00 N ATOM 9 CA SER A 2 -12.958 14.636 -0.576 1.00 0.00 C ATOM 10 C SER A 2 -12.598 14.065 -1.944 1.00 0.00 C ATOM 11 O SER A 2 -13.233 13.124 -2.422 1.00 0.00 O ATOM 12 CB SER A 2 -12.457 13.702 0.527 1.00 0.00 C ATOM 13 OG SER A 2 -13.203 12.498 0.554 1.00 0.00 O ATOM 0 H SER A 2 -14.960 14.164 -0.984 1.00 0.00 H new ATOM 0 HA SER A 2 -12.474 15.607 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.403 13.477 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.532 14.202 1.493 1.00 0.00 H new ATOM 0 HG SER A 2 -12.862 11.918 1.266 1.00 0.00 H new ATOM 19 N SER A 3 -11.576 14.640 -2.569 1.00 0.00 N ATOM 20 CA SER A 3 -11.133 14.191 -3.884 1.00 0.00 C ATOM 21 C SER A 3 -9.669 14.549 -4.116 1.00 0.00 C ATOM 22 O SER A 3 -9.172 15.548 -3.596 1.00 0.00 O ATOM 23 CB SER A 3 -12.002 14.815 -4.978 1.00 0.00 C ATOM 24 OG SER A 3 -13.375 14.540 -4.759 1.00 0.00 O ATOM 0 H SER A 3 -11.039 15.418 -2.186 1.00 0.00 H new ATOM 0 HA SER A 3 -11.234 13.106 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.843 15.893 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.701 14.427 -5.951 1.00 0.00 H new ATOM 0 HG SER A 3 -13.909 14.951 -5.471 1.00 0.00 H new ATOM 30 N GLY A 4 -8.981 13.725 -4.900 1.00 0.00 N ATOM 31 CA GLY A 4 -7.580 13.971 -5.188 1.00 0.00 C ATOM 32 C GLY A 4 -6.666 12.956 -4.528 1.00 0.00 C ATOM 33 O GLY A 4 -5.879 13.301 -3.647 1.00 0.00 O ATOM 0 H GLY A 4 -9.369 12.891 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.424 13.948 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.312 14.972 -4.848 1.00 0.00 H new ATOM 37 N SER A 5 -6.772 11.702 -4.955 1.00 0.00 N ATOM 38 CA SER A 5 -5.953 10.633 -4.396 1.00 0.00 C ATOM 39 C SER A 5 -4.483 11.039 -4.356 1.00 0.00 C ATOM 40 O SER A 5 -3.868 11.288 -5.393 1.00 0.00 O ATOM 41 CB SER A 5 -6.118 9.353 -5.217 1.00 0.00 C ATOM 42 OG SER A 5 -5.761 9.566 -6.572 1.00 0.00 O ATOM 0 H SER A 5 -7.417 11.401 -5.686 1.00 0.00 H new ATOM 0 HA SER A 5 -6.289 10.448 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.497 8.563 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.151 9.011 -5.159 1.00 0.00 H new ATOM 0 HG SER A 5 -5.020 10.206 -6.618 1.00 0.00 H new ATOM 48 N SER A 6 -3.926 11.105 -3.151 1.00 0.00 N ATOM 49 CA SER A 6 -2.529 11.484 -2.974 1.00 0.00 C ATOM 50 C SER A 6 -1.703 10.302 -2.476 1.00 0.00 C ATOM 51 O SER A 6 -1.887 9.831 -1.354 1.00 0.00 O ATOM 52 CB SER A 6 -2.416 12.651 -1.991 1.00 0.00 C ATOM 53 OG SER A 6 -2.485 13.895 -2.665 1.00 0.00 O ATOM 0 H SER A 6 -4.421 10.901 -2.283 1.00 0.00 H new ATOM 0 HA SER A 6 -2.137 11.795 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.217 12.588 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.475 12.581 -1.446 1.00 0.00 H new ATOM 0 HG SER A 6 -2.412 14.624 -2.014 1.00 0.00 H new ATOM 59 N GLY A 7 -0.792 9.827 -3.320 1.00 0.00 N ATOM 60 CA GLY A 7 0.048 8.704 -2.948 1.00 0.00 C ATOM 61 C GLY A 7 0.067 7.619 -4.006 1.00 0.00 C ATOM 62 O GLY A 7 0.840 7.686 -4.961 1.00 0.00 O ATOM 0 H GLY A 7 -0.621 10.200 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.065 9.056 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.308 8.284 -2.007 1.00 0.00 H new ATOM 66 N GLY A 8 -0.787 6.613 -3.836 1.00 0.00 N ATOM 67 CA GLY A 8 -0.848 5.522 -4.791 1.00 0.00 C ATOM 68 C GLY A 8 -1.634 4.337 -4.267 1.00 0.00 C ATOM 69 O GLY A 8 -2.109 4.352 -3.132 1.00 0.00 O ATOM 0 H GLY A 8 -1.437 6.535 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.304 5.877 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.164 5.202 -5.038 1.00 0.00 H new ATOM 73 N GLU A 9 -1.774 3.308 -5.098 1.00 0.00 N ATOM 74 CA GLU A 9 -2.511 2.111 -4.712 1.00 0.00 C ATOM 75 C GLU A 9 -1.667 0.858 -4.930 1.00 0.00 C ATOM 76 O GLU A 9 -1.085 0.667 -5.997 1.00 0.00 O ATOM 77 CB GLU A 9 -3.813 2.007 -5.509 1.00 0.00 C ATOM 78 CG GLU A 9 -4.833 3.073 -5.150 1.00 0.00 C ATOM 79 CD GLU A 9 -6.092 2.983 -5.991 1.00 0.00 C ATOM 80 OE1 GLU A 9 -6.446 1.862 -6.411 1.00 0.00 O ATOM 81 OE2 GLU A 9 -6.723 4.035 -6.227 1.00 0.00 O ATOM 0 H GLU A 9 -1.387 3.280 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.748 2.188 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.585 2.078 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.253 1.024 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.097 2.978 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.384 4.058 -5.279 1.00 0.00 H new ATOM 88 N ALA A 10 -1.605 0.009 -3.909 1.00 0.00 N ATOM 89 CA ALA A 10 -0.834 -1.226 -3.989 1.00 0.00 C ATOM 90 C ALA A 10 -1.732 -2.446 -3.814 1.00 0.00 C ATOM 91 O ALA A 10 -2.887 -2.324 -3.407 1.00 0.00 O ATOM 92 CB ALA A 10 0.271 -1.226 -2.943 1.00 0.00 C ATOM 0 H ALA A 10 -2.079 0.154 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.382 -1.280 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.839 -2.154 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.936 -0.380 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.169 -1.145 -1.949 1.00 0.00 H new ATOM 98 N ILE A 11 -1.193 -3.620 -4.124 1.00 0.00 N ATOM 99 CA ILE A 11 -1.946 -4.862 -4.001 1.00 0.00 C ATOM 100 C ILE A 11 -1.109 -5.948 -3.333 1.00 0.00 C ATOM 101 O ILE A 11 -0.048 -6.323 -3.831 1.00 0.00 O ATOM 102 CB ILE A 11 -2.424 -5.370 -5.374 1.00 0.00 C ATOM 103 CG1 ILE A 11 -3.345 -4.339 -6.031 1.00 0.00 C ATOM 104 CG2 ILE A 11 -3.136 -6.706 -5.226 1.00 0.00 C ATOM 105 CD1 ILE A 11 -4.640 -4.120 -5.280 1.00 0.00 C ATOM 0 H ILE A 11 -0.238 -3.737 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.816 -4.643 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.554 -5.513 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.816 -3.390 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.574 -4.663 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.468 -7.052 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.452 -7.437 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.999 -6.588 -4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.243 -3.377 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.191 -5.059 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.421 -3.766 -4.273 1.00 0.00 H new ATOM 117 N ALA A 12 -1.596 -6.451 -2.203 1.00 0.00 N ATOM 118 CA ALA A 12 -0.895 -7.498 -1.469 1.00 0.00 C ATOM 119 C ALA A 12 -0.770 -8.766 -2.305 1.00 0.00 C ATOM 120 O ALA A 12 -1.744 -9.494 -2.497 1.00 0.00 O ATOM 121 CB ALA A 12 -1.612 -7.795 -0.160 1.00 0.00 C ATOM 0 H ALA A 12 -2.472 -6.151 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 12 0.111 -7.141 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.078 -8.578 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.644 -6.893 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.629 -8.127 -0.369 1.00 0.00 H new ATOM 127 N LYS A 13 0.434 -9.025 -2.803 1.00 0.00 N ATOM 128 CA LYS A 13 0.688 -10.207 -3.619 1.00 0.00 C ATOM 129 C LYS A 13 0.740 -11.463 -2.756 1.00 0.00 C ATOM 130 O LYS A 13 0.548 -12.575 -3.249 1.00 0.00 O ATOM 131 CB LYS A 13 2.001 -10.048 -4.388 1.00 0.00 C ATOM 132 CG LYS A 13 1.879 -9.183 -5.630 1.00 0.00 C ATOM 133 CD LYS A 13 1.311 -9.966 -6.801 1.00 0.00 C ATOM 134 CE LYS A 13 2.333 -10.938 -7.370 1.00 0.00 C ATOM 135 NZ LYS A 13 1.822 -11.632 -8.585 1.00 0.00 N ATOM 0 H LYS A 13 1.250 -8.432 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.132 -10.310 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.750 -9.614 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.365 -11.034 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.237 -8.328 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.859 -8.787 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.426 -10.515 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.991 -9.275 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.248 -10.400 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.593 -11.677 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.548 -12.286 -8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.963 -12.167 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.598 -10.929 -9.318 1.00 0.00 H new ATOM 149 N PHE A 14 0.999 -11.279 -1.466 1.00 0.00 N ATOM 150 CA PHE A 14 1.075 -12.399 -0.534 1.00 0.00 C ATOM 151 C PHE A 14 0.664 -11.967 0.870 1.00 0.00 C ATOM 152 O PHE A 14 0.808 -10.802 1.240 1.00 0.00 O ATOM 153 CB PHE A 14 2.493 -12.973 -0.509 1.00 0.00 C ATOM 154 CG PHE A 14 2.886 -13.656 -1.787 1.00 0.00 C ATOM 155 CD1 PHE A 14 3.292 -12.917 -2.887 1.00 0.00 C ATOM 156 CD2 PHE A 14 2.851 -15.037 -1.889 1.00 0.00 C ATOM 157 CE1 PHE A 14 3.654 -13.543 -4.064 1.00 0.00 C ATOM 158 CE2 PHE A 14 3.212 -15.669 -3.064 1.00 0.00 C ATOM 159 CZ PHE A 14 3.615 -14.921 -4.153 1.00 0.00 C ATOM 0 H PHE A 14 1.160 -10.366 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 14 0.384 -13.170 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.199 -12.168 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.574 -13.684 0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.326 -11.839 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.538 -15.627 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.967 -12.955 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.179 -16.746 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.899 -15.412 -5.072 1.00 0.00 H new ATOM 169 N ASN A 15 0.151 -12.914 1.648 1.00 0.00 N ATOM 170 CA ASN A 15 -0.283 -12.632 3.012 1.00 0.00 C ATOM 171 C ASN A 15 0.911 -12.324 3.910 1.00 0.00 C ATOM 172 O ASN A 15 1.743 -13.192 4.174 1.00 0.00 O ATOM 173 CB ASN A 15 -1.066 -13.819 3.576 1.00 0.00 C ATOM 174 CG ASN A 15 -2.067 -14.376 2.582 1.00 0.00 C ATOM 175 OD1 ASN A 15 -2.243 -13.834 1.491 1.00 0.00 O ATOM 176 ND2 ASN A 15 -2.730 -15.464 2.956 1.00 0.00 N ATOM 0 H ASN A 15 0.025 -13.884 1.358 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.932 -11.756 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.369 -14.606 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.590 -13.509 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.417 -15.883 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.552 -15.880 3.870 1.00 0.00 H new ATOM 183 N PHE A 16 0.989 -11.082 4.376 1.00 0.00 N ATOM 184 CA PHE A 16 2.082 -10.658 5.244 1.00 0.00 C ATOM 185 C PHE A 16 1.794 -11.024 6.698 1.00 0.00 C ATOM 186 O PHE A 16 0.680 -10.840 7.186 1.00 0.00 O ATOM 187 CB PHE A 16 2.304 -9.150 5.120 1.00 0.00 C ATOM 188 CG PHE A 16 3.464 -8.646 5.931 1.00 0.00 C ATOM 189 CD1 PHE A 16 4.766 -8.932 5.555 1.00 0.00 C ATOM 190 CD2 PHE A 16 3.251 -7.887 7.070 1.00 0.00 C ATOM 191 CE1 PHE A 16 5.834 -8.470 6.300 1.00 0.00 C ATOM 192 CE2 PHE A 16 4.315 -7.422 7.820 1.00 0.00 C ATOM 193 CZ PHE A 16 5.609 -7.713 7.433 1.00 0.00 C ATOM 0 H PHE A 16 0.309 -10.351 4.167 1.00 0.00 H new ATOM 0 HA PHE A 16 2.987 -11.178 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.468 -8.900 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.399 -8.631 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.948 -9.523 4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.241 -7.656 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.844 -8.701 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.135 -6.832 8.707 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.443 -7.349 8.015 1.00 0.00 H new ATOM 203 N ASN A 17 2.808 -11.542 7.383 1.00 0.00 N ATOM 204 CA ASN A 17 2.665 -11.935 8.780 1.00 0.00 C ATOM 205 C ASN A 17 3.432 -10.984 9.694 1.00 0.00 C ATOM 206 O ASN A 17 4.509 -11.314 10.187 1.00 0.00 O ATOM 207 CB ASN A 17 3.163 -13.367 8.983 1.00 0.00 C ATOM 208 CG ASN A 17 4.651 -13.504 8.723 1.00 0.00 C ATOM 209 OD1 ASN A 17 5.133 -13.194 7.634 1.00 0.00 O ATOM 210 ND2 ASN A 17 5.385 -13.971 9.726 1.00 0.00 N ATOM 0 H ASN A 17 3.737 -11.699 6.994 1.00 0.00 H new ATOM 0 HA ASN A 17 1.607 -11.885 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.944 -13.684 10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.618 -14.036 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.392 -14.085 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.942 -14.215 10.612 1.00 0.00 H new ATOM 217 N GLY A 18 2.868 -9.800 9.914 1.00 0.00 N ATOM 218 CA GLY A 18 3.512 -8.819 10.768 1.00 0.00 C ATOM 219 C GLY A 18 4.054 -9.429 12.046 1.00 0.00 C ATOM 220 O GLY A 18 3.527 -10.428 12.537 1.00 0.00 O ATOM 0 H GLY A 18 1.977 -9.503 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.327 -8.345 10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.798 -8.035 11.018 1.00 0.00 H new ATOM 224 N ASP A 19 5.109 -8.829 12.585 1.00 0.00 N ATOM 225 CA ASP A 19 5.723 -9.320 13.813 1.00 0.00 C ATOM 226 C ASP A 19 5.537 -8.321 14.951 1.00 0.00 C ATOM 227 O ASP A 19 4.971 -8.650 15.995 1.00 0.00 O ATOM 228 CB ASP A 19 7.213 -9.588 13.592 1.00 0.00 C ATOM 229 CG ASP A 19 7.862 -10.266 14.783 1.00 0.00 C ATOM 230 OD1 ASP A 19 7.591 -11.465 15.004 1.00 0.00 O ATOM 231 OD2 ASP A 19 8.641 -9.597 15.493 1.00 0.00 O ATOM 0 H ASP A 19 5.557 -8.002 12.191 1.00 0.00 H new ATOM 0 HA ASP A 19 5.231 -10.253 14.088 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.340 -10.213 12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.723 -8.646 13.392 1.00 0.00 H new ATOM 236 N THR A 20 6.017 -7.099 14.743 1.00 0.00 N ATOM 237 CA THR A 20 5.905 -6.052 15.751 1.00 0.00 C ATOM 238 C THR A 20 4.518 -5.420 15.736 1.00 0.00 C ATOM 239 O THR A 20 3.803 -5.497 14.738 1.00 0.00 O ATOM 240 CB THR A 20 6.961 -4.952 15.538 1.00 0.00 C ATOM 241 OG1 THR A 20 6.913 -4.481 14.186 1.00 0.00 O ATOM 242 CG2 THR A 20 8.356 -5.473 15.849 1.00 0.00 C ATOM 0 H THR A 20 6.487 -6.810 13.885 1.00 0.00 H new ATOM 0 HA THR A 20 6.075 -6.525 16.718 1.00 0.00 H new ATOM 0 HB THR A 20 6.738 -4.129 16.217 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.550 -4.987 13.640 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.085 -4.678 15.691 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.398 -5.803 16.887 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.586 -6.312 15.192 1.00 0.00 H new ATOM 250 N GLN A 21 4.146 -4.794 16.848 1.00 0.00 N ATOM 251 CA GLN A 21 2.844 -4.148 16.961 1.00 0.00 C ATOM 252 C GLN A 21 2.621 -3.168 15.814 1.00 0.00 C ATOM 253 O GLN A 21 1.560 -3.157 15.190 1.00 0.00 O ATOM 254 CB GLN A 21 2.727 -3.419 18.301 1.00 0.00 C ATOM 255 CG GLN A 21 3.771 -2.332 18.495 1.00 0.00 C ATOM 256 CD GLN A 21 3.865 -1.862 19.933 1.00 0.00 C ATOM 257 OE1 GLN A 21 3.387 -2.532 20.849 1.00 0.00 O ATOM 258 NE2 GLN A 21 4.482 -0.705 20.140 1.00 0.00 N ATOM 0 H GLN A 21 4.728 -4.721 17.683 1.00 0.00 H new ATOM 0 HA GLN A 21 2.077 -4.921 16.908 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.734 -2.976 18.379 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.816 -4.145 19.109 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.743 -2.706 18.175 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.530 -1.484 17.855 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.864 -0.182 19.352 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.575 -0.339 21.087 1.00 0.00 H new ATOM 267 N VAL A 22 3.629 -2.345 15.542 1.00 0.00 N ATOM 268 CA VAL A 22 3.544 -1.361 14.469 1.00 0.00 C ATOM 269 C VAL A 22 3.219 -2.027 13.137 1.00 0.00 C ATOM 270 O VAL A 22 2.376 -1.545 12.380 1.00 0.00 O ATOM 271 CB VAL A 22 4.857 -0.569 14.328 1.00 0.00 C ATOM 272 CG1 VAL A 22 6.035 -1.516 14.155 1.00 0.00 C ATOM 273 CG2 VAL A 22 4.769 0.405 13.163 1.00 0.00 C ATOM 0 H VAL A 22 4.514 -2.340 16.050 1.00 0.00 H new ATOM 0 HA VAL A 22 2.741 -0.673 14.733 1.00 0.00 H new ATOM 0 HB VAL A 22 5.015 0.006 15.241 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.954 -0.939 14.057 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.108 -2.169 15.025 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.888 -2.120 13.259 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.705 0.956 13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.588 -0.147 12.241 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.951 1.104 13.334 1.00 0.00 H new ATOM 283 N GLU A 23 3.893 -3.138 12.857 1.00 0.00 N ATOM 284 CA GLU A 23 3.675 -3.870 11.615 1.00 0.00 C ATOM 285 C GLU A 23 2.199 -4.211 11.436 1.00 0.00 C ATOM 286 O GLU A 23 1.486 -4.458 12.408 1.00 0.00 O ATOM 287 CB GLU A 23 4.512 -5.151 11.598 1.00 0.00 C ATOM 288 CG GLU A 23 5.963 -4.925 11.210 1.00 0.00 C ATOM 289 CD GLU A 23 6.849 -6.109 11.549 1.00 0.00 C ATOM 290 OE1 GLU A 23 6.615 -7.202 10.993 1.00 0.00 O ATOM 291 OE2 GLU A 23 7.775 -5.942 12.370 1.00 0.00 O ATOM 0 H GLU A 23 4.594 -3.550 13.473 1.00 0.00 H new ATOM 0 HA GLU A 23 3.985 -3.231 10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.476 -5.611 12.585 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.064 -5.858 10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.022 -4.726 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.338 -4.038 11.720 1.00 0.00 H new ATOM 298 N MET A 24 1.747 -4.222 10.186 1.00 0.00 N ATOM 299 CA MET A 24 0.356 -4.534 9.879 1.00 0.00 C ATOM 300 C MET A 24 0.263 -5.715 8.917 1.00 0.00 C ATOM 301 O MET A 24 0.853 -5.696 7.837 1.00 0.00 O ATOM 302 CB MET A 24 -0.341 -3.313 9.275 1.00 0.00 C ATOM 303 CG MET A 24 -1.693 -3.630 8.657 1.00 0.00 C ATOM 304 SD MET A 24 -1.571 -4.088 6.917 1.00 0.00 S ATOM 305 CE MET A 24 -1.786 -2.493 6.131 1.00 0.00 C ATOM 0 H MET A 24 2.324 -4.018 9.370 1.00 0.00 H new ATOM 0 HA MET A 24 -0.143 -4.806 10.809 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.473 -2.559 10.051 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.304 -2.876 8.513 1.00 0.00 H new ATOM 0 HG2 MET A 24 -2.160 -4.444 9.211 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.346 -2.763 8.756 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.157 -2.635 5.116 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.503 -1.901 6.700 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.829 -1.971 6.099 1.00 0.00 H new ATOM 315 N SER A 25 -0.482 -6.741 9.318 1.00 0.00 N ATOM 316 CA SER A 25 -0.648 -7.932 8.493 1.00 0.00 C ATOM 317 C SER A 25 -1.806 -7.757 7.515 1.00 0.00 C ATOM 318 O SER A 25 -2.882 -7.288 7.885 1.00 0.00 O ATOM 319 CB SER A 25 -0.891 -9.158 9.375 1.00 0.00 C ATOM 320 OG SER A 25 -2.038 -8.982 10.189 1.00 0.00 O ATOM 0 H SER A 25 -0.979 -6.771 10.208 1.00 0.00 H new ATOM 0 HA SER A 25 0.268 -8.080 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.018 -10.041 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.019 -9.336 10.004 1.00 0.00 H new ATOM 0 HG SER A 25 -2.172 -9.780 10.742 1.00 0.00 H new ATOM 326 N PHE A 26 -1.576 -8.139 6.263 1.00 0.00 N ATOM 327 CA PHE A 26 -2.599 -8.024 5.229 1.00 0.00 C ATOM 328 C PHE A 26 -2.736 -9.331 4.453 1.00 0.00 C ATOM 329 O PHE A 26 -1.786 -10.107 4.349 1.00 0.00 O ATOM 330 CB PHE A 26 -2.258 -6.882 4.270 1.00 0.00 C ATOM 331 CG PHE A 26 -0.835 -6.907 3.789 1.00 0.00 C ATOM 332 CD1 PHE A 26 -0.404 -7.888 2.911 1.00 0.00 C ATOM 333 CD2 PHE A 26 0.071 -5.949 4.215 1.00 0.00 C ATOM 334 CE1 PHE A 26 0.905 -7.913 2.468 1.00 0.00 C ATOM 335 CE2 PHE A 26 1.381 -5.969 3.775 1.00 0.00 C ATOM 336 CZ PHE A 26 1.798 -6.952 2.899 1.00 0.00 C ATOM 0 H PHE A 26 -0.691 -8.531 5.940 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.550 -7.809 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.925 -6.930 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.448 -5.931 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.098 -8.641 2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.250 -5.177 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.229 -8.684 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.077 -5.217 4.116 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.821 -6.969 2.552 1.00 0.00 H new ATOM 346 N ARG A 27 -3.926 -9.568 3.911 1.00 0.00 N ATOM 347 CA ARG A 27 -4.190 -10.780 3.146 1.00 0.00 C ATOM 348 C ARG A 27 -4.064 -10.517 1.649 1.00 0.00 C ATOM 349 O ARG A 27 -4.180 -9.378 1.195 1.00 0.00 O ATOM 350 CB ARG A 27 -5.587 -11.316 3.465 1.00 0.00 C ATOM 351 CG ARG A 27 -5.753 -12.798 3.170 1.00 0.00 C ATOM 352 CD ARG A 27 -7.103 -13.313 3.645 1.00 0.00 C ATOM 353 NE ARG A 27 -7.202 -13.325 5.102 1.00 0.00 N ATOM 354 CZ ARG A 27 -8.154 -13.968 5.769 1.00 0.00 C ATOM 355 NH1 ARG A 27 -9.083 -14.649 5.112 1.00 0.00 N ATOM 356 NH2 ARG A 27 -8.177 -13.932 7.095 1.00 0.00 N ATOM 0 H ARG A 27 -4.723 -8.936 3.988 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.448 -11.527 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.804 -11.137 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.323 -10.755 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.653 -12.970 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.956 -13.359 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.895 -12.688 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.261 -14.321 3.263 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.502 -12.811 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.067 -14.680 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.813 -15.142 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.463 -13.410 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.909 -14.426 7.606 1.00 0.00 H new ATOM 370 N LYS A 28 -3.826 -11.578 0.885 1.00 0.00 N ATOM 371 CA LYS A 28 -3.684 -11.463 -0.562 1.00 0.00 C ATOM 372 C LYS A 28 -4.900 -10.775 -1.175 1.00 0.00 C ATOM 373 O LYS A 28 -6.037 -11.042 -0.788 1.00 0.00 O ATOM 374 CB LYS A 28 -3.499 -12.847 -1.188 1.00 0.00 C ATOM 375 CG LYS A 28 -3.050 -12.803 -2.639 1.00 0.00 C ATOM 376 CD LYS A 28 -2.944 -14.198 -3.232 1.00 0.00 C ATOM 377 CE LYS A 28 -1.582 -14.818 -2.959 1.00 0.00 C ATOM 378 NZ LYS A 28 -1.645 -16.306 -2.936 1.00 0.00 N ATOM 0 H LYS A 28 -3.727 -12.528 1.244 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.802 -10.856 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.765 -13.405 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.439 -13.394 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.756 -12.212 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.084 -12.303 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.725 -14.833 -2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.115 -14.151 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.876 -14.496 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.203 -14.456 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.697 -16.691 -2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.299 -16.614 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.983 -16.653 -3.856 1.00 0.00 H new ATOM 392 N GLY A 29 -4.651 -9.888 -2.133 1.00 0.00 N ATOM 393 CA GLY A 29 -5.736 -9.176 -2.785 1.00 0.00 C ATOM 394 C GLY A 29 -6.080 -7.877 -2.084 1.00 0.00 C ATOM 395 O GLY A 29 -6.371 -6.873 -2.733 1.00 0.00 O ATOM 0 H GLY A 29 -3.718 -9.649 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.459 -8.966 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.619 -9.814 -2.815 1.00 0.00 H new ATOM 399 N GLU A 30 -6.048 -7.896 -0.755 1.00 0.00 N ATOM 400 CA GLU A 30 -6.362 -6.710 0.033 1.00 0.00 C ATOM 401 C GLU A 30 -5.629 -5.487 -0.509 1.00 0.00 C ATOM 402 O GLU A 30 -4.457 -5.564 -0.876 1.00 0.00 O ATOM 403 CB GLU A 30 -5.989 -6.933 1.501 1.00 0.00 C ATOM 404 CG GLU A 30 -6.800 -8.026 2.176 1.00 0.00 C ATOM 405 CD GLU A 30 -8.281 -7.707 2.225 1.00 0.00 C ATOM 406 OE1 GLU A 30 -8.643 -6.661 2.803 1.00 0.00 O ATOM 407 OE2 GLU A 30 -9.078 -8.503 1.687 1.00 0.00 O ATOM 0 H GLU A 30 -5.808 -8.719 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.435 -6.530 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.931 -7.186 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.126 -6.000 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.652 -8.965 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.430 -8.174 3.191 1.00 0.00 H new ATOM 414 N ARG A 31 -6.330 -4.358 -0.557 1.00 0.00 N ATOM 415 CA ARG A 31 -5.747 -3.118 -1.056 1.00 0.00 C ATOM 416 C ARG A 31 -5.168 -2.291 0.088 1.00 0.00 C ATOM 417 O ARG A 31 -5.791 -2.145 1.139 1.00 0.00 O ATOM 418 CB ARG A 31 -6.800 -2.302 -1.808 1.00 0.00 C ATOM 419 CG ARG A 31 -6.236 -1.076 -2.507 1.00 0.00 C ATOM 420 CD ARG A 31 -7.217 -0.513 -3.523 1.00 0.00 C ATOM 421 NE ARG A 31 -7.155 -1.223 -4.797 1.00 0.00 N ATOM 422 CZ ARG A 31 -7.968 -0.974 -5.818 1.00 0.00 C ATOM 423 NH1 ARG A 31 -8.900 -0.037 -5.714 1.00 0.00 N ATOM 424 NH2 ARG A 31 -7.850 -1.664 -6.945 1.00 0.00 N ATOM 0 H ARG A 31 -7.301 -4.277 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.939 -3.375 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.283 -2.941 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.572 -1.987 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.998 -0.312 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.303 -1.338 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.229 -0.575 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.003 0.543 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.449 -1.950 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.994 0.495 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.523 0.152 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.135 -2.386 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.475 -1.472 -7.728 1.00 0.00 H new ATOM 438 N ILE A 32 -3.972 -1.752 -0.126 1.00 0.00 N ATOM 439 CA ILE A 32 -3.310 -0.939 0.886 1.00 0.00 C ATOM 440 C ILE A 32 -3.208 0.516 0.443 1.00 0.00 C ATOM 441 O ILE A 32 -2.373 0.866 -0.393 1.00 0.00 O ATOM 442 CB ILE A 32 -1.897 -1.469 1.198 1.00 0.00 C ATOM 443 CG1 ILE A 32 -1.960 -2.944 1.599 1.00 0.00 C ATOM 444 CG2 ILE A 32 -1.253 -0.642 2.300 1.00 0.00 C ATOM 445 CD1 ILE A 32 -0.626 -3.652 1.507 1.00 0.00 C ATOM 0 H ILE A 32 -3.442 -1.864 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.920 -1.000 1.787 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.285 -1.381 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.332 -3.019 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.679 -3.456 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.256 -1.028 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.180 0.397 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.862 -0.701 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.745 -4.693 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.261 -3.608 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.091 -3.165 2.168 1.00 0.00 H new ATOM 457 N THR A 33 -4.062 1.363 1.009 1.00 0.00 N ATOM 458 CA THR A 33 -4.068 2.781 0.673 1.00 0.00 C ATOM 459 C THR A 33 -2.758 3.448 1.077 1.00 0.00 C ATOM 460 O THR A 33 -2.635 3.980 2.181 1.00 0.00 O ATOM 461 CB THR A 33 -5.237 3.516 1.357 1.00 0.00 C ATOM 462 OG1 THR A 33 -6.466 2.828 1.099 1.00 0.00 O ATOM 463 CG2 THR A 33 -5.339 4.950 0.862 1.00 0.00 C ATOM 0 H THR A 33 -4.759 1.091 1.703 1.00 0.00 H new ATOM 0 HA THR A 33 -4.189 2.848 -0.408 1.00 0.00 H new ATOM 0 HB THR A 33 -5.048 3.532 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.204 3.300 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.171 5.448 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.413 5.479 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.506 4.952 -0.215 1.00 0.00 H new ATOM 471 N LEU A 34 -1.782 3.416 0.176 1.00 0.00 N ATOM 472 CA LEU A 34 -0.480 4.019 0.439 1.00 0.00 C ATOM 473 C LEU A 34 -0.635 5.395 1.079 1.00 0.00 C ATOM 474 O LEU A 34 -1.383 6.240 0.586 1.00 0.00 O ATOM 475 CB LEU A 34 0.321 4.136 -0.860 1.00 0.00 C ATOM 476 CG LEU A 34 1.067 2.877 -1.304 1.00 0.00 C ATOM 477 CD1 LEU A 34 1.683 3.079 -2.679 1.00 0.00 C ATOM 478 CD2 LEU A 34 2.136 2.504 -0.288 1.00 0.00 C ATOM 0 H LEU A 34 -1.867 2.979 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 34 0.057 3.374 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.360 4.431 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.046 4.942 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 34 0.352 2.057 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.210 2.173 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.897 3.297 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.385 3.912 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.656 1.606 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.849 3.323 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.669 2.316 0.679 1.00 0.00 H new ATOM 490 N LEU A 35 0.078 5.613 2.178 1.00 0.00 N ATOM 491 CA LEU A 35 0.021 6.888 2.885 1.00 0.00 C ATOM 492 C LEU A 35 1.373 7.594 2.845 1.00 0.00 C ATOM 493 O LEU A 35 1.447 8.803 2.628 1.00 0.00 O ATOM 494 CB LEU A 35 -0.410 6.670 4.337 1.00 0.00 C ATOM 495 CG LEU A 35 -1.736 5.936 4.540 1.00 0.00 C ATOM 496 CD1 LEU A 35 -1.923 5.567 6.004 1.00 0.00 C ATOM 497 CD2 LEU A 35 -2.897 6.789 4.051 1.00 0.00 C ATOM 0 H LEU A 35 0.702 4.924 2.599 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.713 7.520 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.374 6.111 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.477 7.642 4.825 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.714 5.017 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.872 5.045 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.107 4.918 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.924 6.473 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.833 6.251 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.921 7.725 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.770 7.003 2.990 1.00 0.00 H new ATOM 509 N ARG A 36 2.440 6.829 3.053 1.00 0.00 N ATOM 510 CA ARG A 36 3.789 7.381 3.039 1.00 0.00 C ATOM 511 C ARG A 36 4.832 6.267 3.009 1.00 0.00 C ATOM 512 O ARG A 36 4.537 5.120 3.342 1.00 0.00 O ATOM 513 CB ARG A 36 4.012 8.270 4.264 1.00 0.00 C ATOM 514 CG ARG A 36 4.163 7.493 5.562 1.00 0.00 C ATOM 515 CD ARG A 36 3.997 8.395 6.774 1.00 0.00 C ATOM 516 NE ARG A 36 5.209 9.159 7.059 1.00 0.00 N ATOM 517 CZ ARG A 36 5.343 9.958 8.111 1.00 0.00 C ATOM 518 NH1 ARG A 36 4.347 10.097 8.974 1.00 0.00 N ATOM 519 NH2 ARG A 36 6.477 10.620 8.302 1.00 0.00 N ATOM 0 H ARG A 36 2.396 5.826 3.233 1.00 0.00 H new ATOM 0 HA ARG A 36 3.899 7.983 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.906 8.874 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.174 8.960 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.422 6.694 5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.144 7.019 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.168 9.081 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.737 7.790 7.643 1.00 0.00 H new ATOM 0 HE ARG A 36 5.995 9.074 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.474 9.589 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.453 10.712 9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.246 10.515 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.579 11.234 9.110 1.00 0.00 H new ATOM 533 N GLN A 37 6.051 6.615 2.609 1.00 0.00 N ATOM 534 CA GLN A 37 7.136 5.644 2.534 1.00 0.00 C ATOM 535 C GLN A 37 8.076 5.786 3.726 1.00 0.00 C ATOM 536 O GLN A 37 8.795 6.778 3.848 1.00 0.00 O ATOM 537 CB GLN A 37 7.916 5.819 1.230 1.00 0.00 C ATOM 538 CG GLN A 37 8.916 4.705 0.965 1.00 0.00 C ATOM 539 CD GLN A 37 9.655 4.884 -0.346 1.00 0.00 C ATOM 540 OE1 GLN A 37 9.922 6.007 -0.774 1.00 0.00 O ATOM 541 NE2 GLN A 37 9.991 3.773 -0.993 1.00 0.00 N ATOM 0 H GLN A 37 6.312 7.561 2.332 1.00 0.00 H new ATOM 0 HA GLN A 37 6.699 4.646 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.212 5.869 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.445 6.772 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.637 4.667 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.394 3.748 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.750 2.862 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.490 3.831 -1.881 1.00 0.00 H new ATOM 550 N VAL A 38 8.065 4.789 4.605 1.00 0.00 N ATOM 551 CA VAL A 38 8.917 4.802 5.788 1.00 0.00 C ATOM 552 C VAL A 38 10.383 4.617 5.411 1.00 0.00 C ATOM 553 O VAL A 38 11.208 5.504 5.632 1.00 0.00 O ATOM 554 CB VAL A 38 8.512 3.699 6.784 1.00 0.00 C ATOM 555 CG1 VAL A 38 9.355 3.784 8.047 1.00 0.00 C ATOM 556 CG2 VAL A 38 7.030 3.799 7.115 1.00 0.00 C ATOM 0 H VAL A 38 7.475 3.961 4.520 1.00 0.00 H new ATOM 0 HA VAL A 38 8.786 5.775 6.262 1.00 0.00 H new ATOM 0 HB VAL A 38 8.693 2.730 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.054 2.997 8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.407 3.660 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.208 4.756 8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.761 3.012 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.821 4.772 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.445 3.684 6.203 1.00 0.00 H new ATOM 566 N ASP A 39 10.700 3.460 4.841 1.00 0.00 N ATOM 567 CA ASP A 39 12.067 3.159 4.431 1.00 0.00 C ATOM 568 C ASP A 39 12.142 2.913 2.928 1.00 0.00 C ATOM 569 O ASP A 39 11.124 2.927 2.236 1.00 0.00 O ATOM 570 CB ASP A 39 12.591 1.937 5.187 1.00 0.00 C ATOM 571 CG ASP A 39 12.145 1.917 6.636 1.00 0.00 C ATOM 572 OD1 ASP A 39 12.342 2.935 7.331 1.00 0.00 O ATOM 573 OD2 ASP A 39 11.599 0.883 7.075 1.00 0.00 O ATOM 0 H ASP A 39 10.029 2.715 4.652 1.00 0.00 H new ATOM 0 HA ASP A 39 12.690 4.020 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.245 1.030 4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.680 1.927 5.145 1.00 0.00 H new ATOM 578 N GLU A 40 13.354 2.690 2.429 1.00 0.00 N ATOM 579 CA GLU A 40 13.561 2.444 1.007 1.00 0.00 C ATOM 580 C GLU A 40 12.982 1.092 0.599 1.00 0.00 C ATOM 581 O GLU A 40 12.685 0.861 -0.572 1.00 0.00 O ATOM 582 CB GLU A 40 15.053 2.494 0.670 1.00 0.00 C ATOM 583 CG GLU A 40 15.336 2.633 -0.816 1.00 0.00 C ATOM 584 CD GLU A 40 14.640 3.829 -1.434 1.00 0.00 C ATOM 585 OE1 GLU A 40 14.524 4.868 -0.751 1.00 0.00 O ATOM 586 OE2 GLU A 40 14.210 3.727 -2.603 1.00 0.00 O ATOM 0 H GLU A 40 14.207 2.675 2.988 1.00 0.00 H new ATOM 0 HA GLU A 40 13.043 3.225 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.508 3.332 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.531 1.587 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.411 2.724 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.016 1.726 -1.329 1.00 0.00 H new ATOM 593 N ASN A 41 12.825 0.204 1.575 1.00 0.00 N ATOM 594 CA ASN A 41 12.282 -1.125 1.318 1.00 0.00 C ATOM 595 C ASN A 41 11.092 -1.412 2.228 1.00 0.00 C ATOM 596 O ASN A 41 10.853 -2.557 2.612 1.00 0.00 O ATOM 597 CB ASN A 41 13.363 -2.189 1.523 1.00 0.00 C ATOM 598 CG ASN A 41 14.398 -2.182 0.414 1.00 0.00 C ATOM 599 OD1 ASN A 41 15.601 -2.176 0.673 1.00 0.00 O ATOM 600 ND2 ASN A 41 13.932 -2.182 -0.830 1.00 0.00 N ATOM 0 H ASN A 41 13.066 0.380 2.550 1.00 0.00 H new ATOM 0 HA ASN A 41 11.941 -1.157 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.858 -2.021 2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.896 -3.173 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.580 -2.177 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.926 -2.187 -0.998 1.00 0.00 H new ATOM 607 N TRP A 42 10.349 -0.366 2.569 1.00 0.00 N ATOM 608 CA TRP A 42 9.183 -0.505 3.434 1.00 0.00 C ATOM 609 C TRP A 42 8.194 0.632 3.203 1.00 0.00 C ATOM 610 O TRP A 42 8.511 1.799 3.436 1.00 0.00 O ATOM 611 CB TRP A 42 9.612 -0.534 4.902 1.00 0.00 C ATOM 612 CG TRP A 42 10.365 -1.775 5.277 1.00 0.00 C ATOM 613 CD1 TRP A 42 11.673 -2.054 5.001 1.00 0.00 C ATOM 614 CD2 TRP A 42 9.853 -2.903 5.994 1.00 0.00 C ATOM 615 NE1 TRP A 42 12.005 -3.289 5.503 1.00 0.00 N ATOM 616 CE2 TRP A 42 10.907 -3.830 6.118 1.00 0.00 C ATOM 617 CE3 TRP A 42 8.609 -3.221 6.545 1.00 0.00 C ATOM 618 CZ2 TRP A 42 10.751 -5.051 6.769 1.00 0.00 C ATOM 619 CZ3 TRP A 42 8.456 -4.433 7.191 1.00 0.00 C ATOM 620 CH2 TRP A 42 9.522 -5.336 7.299 1.00 0.00 C ATOM 0 H TRP A 42 10.533 0.588 2.260 1.00 0.00 H new ATOM 0 HA TRP A 42 8.690 -1.445 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.235 0.336 5.108 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.727 -0.450 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 42 12.347 -1.400 4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 42 12.921 -3.732 5.430 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.781 -2.532 6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.571 -5.749 6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.498 -4.689 7.620 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.371 -6.275 7.810 1.00 0.00 H new ATOM 631 N TYR A 43 6.997 0.285 2.743 1.00 0.00 N ATOM 632 CA TYR A 43 5.963 1.278 2.478 1.00 0.00 C ATOM 633 C TYR A 43 4.909 1.275 3.582 1.00 0.00 C ATOM 634 O TYR A 43 4.607 0.233 4.162 1.00 0.00 O ATOM 635 CB TYR A 43 5.302 1.009 1.126 1.00 0.00 C ATOM 636 CG TYR A 43 6.119 1.486 -0.054 1.00 0.00 C ATOM 637 CD1 TYR A 43 6.517 2.813 -0.156 1.00 0.00 C ATOM 638 CD2 TYR A 43 6.492 0.610 -1.066 1.00 0.00 C ATOM 639 CE1 TYR A 43 7.264 3.254 -1.232 1.00 0.00 C ATOM 640 CE2 TYR A 43 7.239 1.041 -2.144 1.00 0.00 C ATOM 641 CZ TYR A 43 7.622 2.364 -2.223 1.00 0.00 C ATOM 642 OH TYR A 43 8.366 2.798 -3.297 1.00 0.00 O ATOM 0 H TYR A 43 6.719 -0.676 2.546 1.00 0.00 H new ATOM 0 HA TYR A 43 6.436 2.260 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.124 -0.062 1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.328 1.498 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.238 3.512 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.192 -0.426 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.566 4.289 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.522 0.346 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 43 8.534 2.047 -3.904 1.00 0.00 H new ATOM 652 N GLU A 44 4.354 2.450 3.864 1.00 0.00 N ATOM 653 CA GLU A 44 3.334 2.583 4.898 1.00 0.00 C ATOM 654 C GLU A 44 1.944 2.695 4.279 1.00 0.00 C ATOM 655 O GLU A 44 1.776 3.265 3.202 1.00 0.00 O ATOM 656 CB GLU A 44 3.617 3.808 5.769 1.00 0.00 C ATOM 657 CG GLU A 44 2.776 3.862 7.034 1.00 0.00 C ATOM 658 CD GLU A 44 2.433 2.484 7.565 1.00 0.00 C ATOM 659 OE1 GLU A 44 3.368 1.719 7.880 1.00 0.00 O ATOM 660 OE2 GLU A 44 1.228 2.172 7.667 1.00 0.00 O ATOM 0 H GLU A 44 4.593 3.322 3.392 1.00 0.00 H new ATOM 0 HA GLU A 44 3.364 1.689 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.672 3.813 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.436 4.709 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.315 4.419 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.855 4.409 6.831 1.00 0.00 H new ATOM 667 N GLY A 45 0.949 2.145 4.969 1.00 0.00 N ATOM 668 CA GLY A 45 -0.414 2.193 4.472 1.00 0.00 C ATOM 669 C GLY A 45 -1.400 1.544 5.422 1.00 0.00 C ATOM 670 O GLY A 45 -1.004 0.878 6.379 1.00 0.00 O ATOM 0 H GLY A 45 1.063 1.667 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.702 3.232 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.463 1.693 3.505 1.00 0.00 H new ATOM 674 N ARG A 46 -2.688 1.738 5.159 1.00 0.00 N ATOM 675 CA ARG A 46 -3.734 1.168 6.000 1.00 0.00 C ATOM 676 C ARG A 46 -4.717 0.350 5.166 1.00 0.00 C ATOM 677 O ARG A 46 -4.725 0.437 3.938 1.00 0.00 O ATOM 678 CB ARG A 46 -4.480 2.277 6.744 1.00 0.00 C ATOM 679 CG ARG A 46 -5.433 3.068 5.863 1.00 0.00 C ATOM 680 CD ARG A 46 -6.429 3.864 6.693 1.00 0.00 C ATOM 681 NE ARG A 46 -5.804 5.013 7.343 1.00 0.00 N ATOM 682 CZ ARG A 46 -6.422 5.776 8.237 1.00 0.00 C ATOM 683 NH1 ARG A 46 -7.673 5.513 8.587 1.00 0.00 N ATOM 684 NH2 ARG A 46 -5.787 6.805 8.785 1.00 0.00 N ATOM 0 H ARG A 46 -3.032 2.285 4.370 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.262 0.506 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.042 1.836 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.753 2.960 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.864 3.746 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.970 2.387 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.242 4.207 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.871 3.215 7.449 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.841 5.242 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.164 4.722 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.145 6.101 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.824 7.010 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.262 7.391 9.472 1.00 0.00 H new ATOM 698 N ILE A 47 -5.541 -0.442 5.842 1.00 0.00 N ATOM 699 CA ILE A 47 -6.527 -1.274 5.164 1.00 0.00 C ATOM 700 C ILE A 47 -7.897 -0.604 5.152 1.00 0.00 C ATOM 701 O ILE A 47 -8.335 -0.013 6.139 1.00 0.00 O ATOM 702 CB ILE A 47 -6.650 -2.657 5.830 1.00 0.00 C ATOM 703 CG1 ILE A 47 -5.311 -3.395 5.776 1.00 0.00 C ATOM 704 CG2 ILE A 47 -7.740 -3.476 5.153 1.00 0.00 C ATOM 705 CD1 ILE A 47 -4.953 -3.896 4.394 1.00 0.00 C ATOM 0 H ILE A 47 -5.546 -0.525 6.859 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.180 -1.403 4.139 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.924 -2.517 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.523 -2.728 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.343 -4.240 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.815 -4.451 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.693 -2.955 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.493 -3.610 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.992 -4.409 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.721 -4.588 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.888 -3.052 3.707 1.00 0.00 H new ATOM 717 N PRO A 48 -8.593 -0.700 4.009 1.00 0.00 N ATOM 718 CA PRO A 48 -9.925 -0.111 3.842 1.00 0.00 C ATOM 719 C PRO A 48 -10.986 -0.836 4.662 1.00 0.00 C ATOM 720 O PRO A 48 -10.918 -2.050 4.850 1.00 0.00 O ATOM 721 CB PRO A 48 -10.200 -0.278 2.345 1.00 0.00 C ATOM 722 CG PRO A 48 -9.365 -1.440 1.933 1.00 0.00 C ATOM 723 CD PRO A 48 -8.132 -1.390 2.793 1.00 0.00 C ATOM 0 HA PRO A 48 -9.960 0.923 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.257 -0.463 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.929 0.620 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.903 -2.377 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.106 -1.379 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.756 -2.389 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.323 -0.847 2.305 1.00 0.00 H new ATOM 731 N GLY A 49 -11.968 -0.083 5.149 1.00 0.00 N ATOM 732 CA GLY A 49 -13.030 -0.671 5.944 1.00 0.00 C ATOM 733 C GLY A 49 -12.597 -0.957 7.369 1.00 0.00 C ATOM 734 O GLY A 49 -13.331 -0.677 8.317 1.00 0.00 O ATOM 0 H GLY A 49 -12.047 0.924 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.886 0.003 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.360 -1.598 5.475 1.00 0.00 H new ATOM 738 N THR A 50 -11.402 -1.519 7.521 1.00 0.00 N ATOM 739 CA THR A 50 -10.874 -1.847 8.840 1.00 0.00 C ATOM 740 C THR A 50 -10.103 -0.672 9.431 1.00 0.00 C ATOM 741 O THR A 50 -10.066 0.413 8.850 1.00 0.00 O ATOM 742 CB THR A 50 -9.949 -3.077 8.785 1.00 0.00 C ATOM 743 OG1 THR A 50 -8.662 -2.700 8.284 1.00 0.00 O ATOM 744 CG2 THR A 50 -10.545 -4.163 7.902 1.00 0.00 C ATOM 0 H THR A 50 -10.781 -1.757 6.747 1.00 0.00 H new ATOM 0 HA THR A 50 -11.730 -2.074 9.476 1.00 0.00 H new ATOM 0 HB THR A 50 -9.843 -3.470 9.796 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.769 -2.023 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.874 -5.022 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 50 -11.511 -4.468 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.677 -3.778 6.891 1.00 0.00 H new ATOM 752 N SER A 51 -9.489 -0.895 10.588 1.00 0.00 N ATOM 753 CA SER A 51 -8.721 0.147 11.259 1.00 0.00 C ATOM 754 C SER A 51 -7.350 -0.374 11.679 1.00 0.00 C ATOM 755 O SER A 51 -6.855 -0.050 12.759 1.00 0.00 O ATOM 756 CB SER A 51 -9.481 0.662 12.483 1.00 0.00 C ATOM 757 OG SER A 51 -10.687 1.302 12.102 1.00 0.00 O ATOM 0 H SER A 51 -9.508 -1.788 11.080 1.00 0.00 H new ATOM 0 HA SER A 51 -8.579 0.968 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.702 -0.168 13.154 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.854 1.361 13.037 1.00 0.00 H new ATOM 0 HG SER A 51 -11.155 1.621 12.902 1.00 0.00 H new ATOM 763 N ARG A 52 -6.742 -1.183 10.818 1.00 0.00 N ATOM 764 CA ARG A 52 -5.429 -1.751 11.100 1.00 0.00 C ATOM 765 C ARG A 52 -4.363 -1.125 10.205 1.00 0.00 C ATOM 766 O ARG A 52 -4.389 -1.288 8.986 1.00 0.00 O ATOM 767 CB ARG A 52 -5.452 -3.267 10.899 1.00 0.00 C ATOM 768 CG ARG A 52 -6.510 -3.975 11.729 1.00 0.00 C ATOM 769 CD ARG A 52 -7.828 -4.082 10.977 1.00 0.00 C ATOM 770 NE ARG A 52 -7.887 -5.279 10.142 1.00 0.00 N ATOM 771 CZ ARG A 52 -7.928 -6.514 10.630 1.00 0.00 C ATOM 772 NH1 ARG A 52 -7.916 -6.713 11.941 1.00 0.00 N ATOM 773 NH2 ARG A 52 -7.981 -7.552 9.807 1.00 0.00 N ATOM 0 H ARG A 52 -7.137 -1.460 9.919 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.182 -1.533 12.139 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.625 -3.483 9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.472 -3.673 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.159 -4.972 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.665 -3.433 12.662 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.652 -4.097 11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.962 -3.198 10.353 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.897 -5.160 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.875 -5.917 12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.948 -7.662 12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.990 -7.403 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.012 -8.500 10.183 1.00 0.00 H new ATOM 787 N GLN A 53 -3.427 -0.409 10.821 1.00 0.00 N ATOM 788 CA GLN A 53 -2.354 0.242 10.079 1.00 0.00 C ATOM 789 C GLN A 53 -0.989 -0.238 10.563 1.00 0.00 C ATOM 790 O GLN A 53 -0.829 -0.618 11.722 1.00 0.00 O ATOM 791 CB GLN A 53 -2.454 1.762 10.225 1.00 0.00 C ATOM 792 CG GLN A 53 -1.600 2.526 9.226 1.00 0.00 C ATOM 793 CD GLN A 53 -1.229 3.912 9.715 1.00 0.00 C ATOM 794 OE1 GLN A 53 -2.052 4.619 10.297 1.00 0.00 O ATOM 795 NE2 GLN A 53 0.017 4.308 9.482 1.00 0.00 N ATOM 0 H GLN A 53 -3.390 -0.265 11.830 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.461 -0.023 9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.495 2.063 10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.155 2.042 11.235 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.690 1.961 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.139 2.610 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.666 3.689 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.325 5.231 9.789 1.00 0.00 H new ATOM 804 N GLY A 54 -0.008 -0.219 9.666 1.00 0.00 N ATOM 805 CA GLY A 54 1.330 -0.655 10.020 1.00 0.00 C ATOM 806 C GLY A 54 2.268 -0.671 8.830 1.00 0.00 C ATOM 807 O GLY A 54 1.845 -0.457 7.694 1.00 0.00 O ATOM 0 H GLY A 54 -0.116 0.091 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.733 0.006 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.281 -1.654 10.453 1.00 0.00 H new ATOM 811 N ILE A 55 3.547 -0.924 9.090 1.00 0.00 N ATOM 812 CA ILE A 55 4.547 -0.967 8.031 1.00 0.00 C ATOM 813 C ILE A 55 4.584 -2.338 7.365 1.00 0.00 C ATOM 814 O ILE A 55 3.993 -3.298 7.861 1.00 0.00 O ATOM 815 CB ILE A 55 5.951 -0.632 8.570 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.294 -1.533 9.757 1.00 0.00 C ATOM 817 CG2 ILE A 55 6.029 0.833 8.970 1.00 0.00 C ATOM 818 CD1 ILE A 55 7.736 -1.424 10.203 1.00 0.00 C ATOM 0 H ILE A 55 3.914 -1.102 10.025 1.00 0.00 H new ATOM 0 HA ILE A 55 4.260 -0.216 7.295 1.00 0.00 H new ATOM 0 HB ILE A 55 6.680 -0.812 7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.643 -1.280 10.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.082 -2.568 9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.027 1.054 9.349 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.824 1.459 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.292 1.038 9.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.907 -2.091 11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.394 -1.705 9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.948 -0.397 10.502 1.00 0.00 H new ATOM 830 N PHE A 56 5.284 -2.423 6.238 1.00 0.00 N ATOM 831 CA PHE A 56 5.400 -3.678 5.503 1.00 0.00 C ATOM 832 C PHE A 56 6.423 -3.556 4.378 1.00 0.00 C ATOM 833 O PHE A 56 6.704 -2.468 3.875 1.00 0.00 O ATOM 834 CB PHE A 56 4.040 -4.085 4.930 1.00 0.00 C ATOM 835 CG PHE A 56 3.327 -2.965 4.227 1.00 0.00 C ATOM 836 CD1 PHE A 56 3.775 -2.503 3.000 1.00 0.00 C ATOM 837 CD2 PHE A 56 2.208 -2.375 4.793 1.00 0.00 C ATOM 838 CE1 PHE A 56 3.121 -1.474 2.350 1.00 0.00 C ATOM 839 CE2 PHE A 56 1.550 -1.346 4.148 1.00 0.00 C ATOM 840 CZ PHE A 56 2.007 -0.894 2.925 1.00 0.00 C ATOM 0 H PHE A 56 5.779 -1.638 5.814 1.00 0.00 H new ATOM 0 HA PHE A 56 5.739 -4.447 6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.181 -4.910 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.410 -4.455 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.646 -2.953 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.846 -2.724 5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.480 -1.124 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.679 -0.895 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.494 -0.089 2.420 1.00 0.00 H new ATOM 850 N PRO A 57 6.994 -4.700 3.972 1.00 0.00 N ATOM 851 CA PRO A 57 7.995 -4.749 2.903 1.00 0.00 C ATOM 852 C PRO A 57 7.395 -4.449 1.533 1.00 0.00 C ATOM 853 O PRO A 57 6.175 -4.436 1.369 1.00 0.00 O ATOM 854 CB PRO A 57 8.504 -6.192 2.959 1.00 0.00 C ATOM 855 CG PRO A 57 7.382 -6.966 3.560 1.00 0.00 C ATOM 856 CD PRO A 57 6.706 -6.034 4.527 1.00 0.00 C ATOM 0 HA PRO A 57 8.776 -4.001 3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.753 -6.563 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.407 -6.270 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.686 -7.304 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.751 -7.856 4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.634 -6.223 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.103 -6.144 5.536 1.00 0.00 H new ATOM 864 N ILE A 58 8.260 -4.208 0.554 1.00 0.00 N ATOM 865 CA ILE A 58 7.814 -3.910 -0.802 1.00 0.00 C ATOM 866 C ILE A 58 7.452 -5.186 -1.555 1.00 0.00 C ATOM 867 O ILE A 58 6.310 -5.367 -1.979 1.00 0.00 O ATOM 868 CB ILE A 58 8.893 -3.149 -1.594 1.00 0.00 C ATOM 869 CG1 ILE A 58 9.697 -2.240 -0.661 1.00 0.00 C ATOM 870 CG2 ILE A 58 8.256 -2.337 -2.712 1.00 0.00 C ATOM 871 CD1 ILE A 58 8.834 -1.389 0.243 1.00 0.00 C ATOM 0 H ILE A 58 9.273 -4.213 0.674 1.00 0.00 H new ATOM 0 HA ILE A 58 6.929 -3.281 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 58 9.574 -3.874 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.356 -2.854 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.334 -1.589 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.032 -1.805 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.724 -3.005 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.556 -1.619 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.470 -0.770 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.193 -0.749 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.216 -2.033 0.868 1.00 0.00 H new ATOM 883 N THR A 59 8.431 -6.070 -1.716 1.00 0.00 N ATOM 884 CA THR A 59 8.216 -7.329 -2.417 1.00 0.00 C ATOM 885 C THR A 59 6.809 -7.862 -2.171 1.00 0.00 C ATOM 886 O THR A 59 6.111 -8.255 -3.106 1.00 0.00 O ATOM 887 CB THR A 59 9.240 -8.396 -1.983 1.00 0.00 C ATOM 888 OG1 THR A 59 9.271 -8.492 -0.555 1.00 0.00 O ATOM 889 CG2 THR A 59 10.628 -8.056 -2.504 1.00 0.00 C ATOM 0 H THR A 59 9.381 -5.937 -1.370 1.00 0.00 H new ATOM 0 HA THR A 59 8.344 -7.124 -3.480 1.00 0.00 H new ATOM 0 HB THR A 59 8.935 -9.354 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.923 -9.173 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.334 -8.823 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.607 -8.012 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.939 -7.089 -2.108 1.00 0.00 H new ATOM 897 N TYR A 60 6.398 -7.872 -0.908 1.00 0.00 N ATOM 898 CA TYR A 60 5.074 -8.358 -0.538 1.00 0.00 C ATOM 899 C TYR A 60 3.987 -7.618 -1.312 1.00 0.00 C ATOM 900 O TYR A 60 3.091 -8.234 -1.890 1.00 0.00 O ATOM 901 CB TYR A 60 4.848 -8.193 0.965 1.00 0.00 C ATOM 902 CG TYR A 60 5.369 -9.351 1.787 1.00 0.00 C ATOM 903 CD1 TYR A 60 6.730 -9.504 2.023 1.00 0.00 C ATOM 904 CD2 TYR A 60 4.501 -10.291 2.328 1.00 0.00 C ATOM 905 CE1 TYR A 60 7.211 -10.560 2.772 1.00 0.00 C ATOM 906 CE2 TYR A 60 4.972 -11.349 3.080 1.00 0.00 C ATOM 907 CZ TYR A 60 6.328 -11.480 3.298 1.00 0.00 C ATOM 908 OH TYR A 60 6.803 -12.533 4.046 1.00 0.00 O ATOM 0 H TYR A 60 6.963 -7.549 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 60 5.019 -9.417 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.332 -7.275 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.781 -8.076 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.424 -8.785 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.439 -10.193 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.272 -10.665 2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.283 -12.070 3.495 1.00 0.00 H new ATOM 0 HH TYR A 60 6.052 -13.088 4.343 1.00 0.00 H new ATOM 918 N VAL A 61 4.072 -6.292 -1.318 1.00 0.00 N ATOM 919 CA VAL A 61 3.098 -5.466 -2.021 1.00 0.00 C ATOM 920 C VAL A 61 3.660 -4.958 -3.344 1.00 0.00 C ATOM 921 O VAL A 61 4.686 -4.279 -3.374 1.00 0.00 O ATOM 922 CB VAL A 61 2.661 -4.262 -1.165 1.00 0.00 C ATOM 923 CG1 VAL A 61 2.170 -4.725 0.198 1.00 0.00 C ATOM 924 CG2 VAL A 61 3.805 -3.270 -1.020 1.00 0.00 C ATOM 0 H VAL A 61 4.806 -5.766 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 61 2.231 -6.097 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 61 1.836 -3.760 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.866 -3.860 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.319 -5.395 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.972 -5.252 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.480 -2.426 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.652 -3.759 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.105 -2.914 -2.006 1.00 0.00 H new ATOM 934 N ASP A 62 2.982 -5.293 -4.436 1.00 0.00 N ATOM 935 CA ASP A 62 3.413 -4.869 -5.763 1.00 0.00 C ATOM 936 C ASP A 62 2.790 -3.527 -6.134 1.00 0.00 C ATOM 937 O ASP A 62 1.589 -3.436 -6.386 1.00 0.00 O ATOM 938 CB ASP A 62 3.038 -5.924 -6.805 1.00 0.00 C ATOM 939 CG ASP A 62 3.794 -5.747 -8.107 1.00 0.00 C ATOM 940 OD1 ASP A 62 5.042 -5.758 -8.073 1.00 0.00 O ATOM 941 OD2 ASP A 62 3.138 -5.596 -9.159 1.00 0.00 O ATOM 0 H ASP A 62 2.132 -5.857 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 62 4.497 -4.754 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.241 -6.916 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.967 -5.873 -7.000 1.00 0.00 H new ATOM 946 N VAL A 63 3.616 -2.486 -6.164 1.00 0.00 N ATOM 947 CA VAL A 63 3.147 -1.147 -6.503 1.00 0.00 C ATOM 948 C VAL A 63 2.762 -1.058 -7.976 1.00 0.00 C ATOM 949 O VAL A 63 3.377 -1.698 -8.829 1.00 0.00 O ATOM 950 CB VAL A 63 4.218 -0.083 -6.199 1.00 0.00 C ATOM 951 CG1 VAL A 63 3.729 1.298 -6.606 1.00 0.00 C ATOM 952 CG2 VAL A 63 4.594 -0.112 -4.725 1.00 0.00 C ATOM 0 H VAL A 63 4.613 -2.544 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 63 2.269 -0.953 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 63 5.110 -0.313 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.499 2.037 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.515 1.308 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.822 1.541 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.352 0.646 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.711 0.092 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.989 -1.095 -4.470 1.00 0.00 H new ATOM 962 N ILE A 64 1.740 -0.259 -8.266 1.00 0.00 N ATOM 963 CA ILE A 64 1.273 -0.085 -9.636 1.00 0.00 C ATOM 964 C ILE A 64 1.831 1.197 -10.247 1.00 0.00 C ATOM 965 O ILE A 64 2.482 1.166 -11.292 1.00 0.00 O ATOM 966 CB ILE A 64 -0.265 -0.047 -9.706 1.00 0.00 C ATOM 967 CG1 ILE A 64 -0.855 -1.333 -9.125 1.00 0.00 C ATOM 968 CG2 ILE A 64 -0.725 0.152 -11.143 1.00 0.00 C ATOM 969 CD1 ILE A 64 -2.267 -1.170 -8.608 1.00 0.00 C ATOM 0 H ILE A 64 1.220 0.277 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 64 1.633 -0.943 -10.204 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.621 0.795 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.845 -2.107 -9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.217 -1.681 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.814 0.177 -11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.329 1.093 -11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.362 -0.671 -11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.621 -2.121 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.281 -0.419 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.918 -0.852 -9.422 1.00 0.00 H new ATOM 981 N SER A 65 1.572 2.322 -9.588 1.00 0.00 N ATOM 982 CA SER A 65 2.046 3.615 -10.068 1.00 0.00 C ATOM 983 C SER A 65 3.564 3.714 -9.952 1.00 0.00 C ATOM 984 O SER A 65 4.097 4.050 -8.896 1.00 0.00 O ATOM 985 CB SER A 65 1.388 4.748 -9.278 1.00 0.00 C ATOM 986 OG SER A 65 1.677 6.008 -9.858 1.00 0.00 O ATOM 0 H SER A 65 1.037 2.364 -8.721 1.00 0.00 H new ATOM 0 HA SER A 65 1.772 3.708 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.309 4.596 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.741 4.729 -8.247 1.00 0.00 H new ATOM 0 HG SER A 65 1.244 6.715 -9.336 1.00 0.00 H new ATOM 992 N GLY A 66 4.255 3.418 -11.049 1.00 0.00 N ATOM 993 CA GLY A 66 5.705 3.479 -11.050 1.00 0.00 C ATOM 994 C GLY A 66 6.291 3.323 -12.440 1.00 0.00 C ATOM 995 O GLY A 66 5.569 3.199 -13.430 1.00 0.00 O ATOM 0 H GLY A 66 3.837 3.137 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.026 4.432 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.099 2.695 -10.403 1.00 0.00 H new ATOM 999 N PRO A 67 7.629 3.329 -12.527 1.00 0.00 N ATOM 1000 CA PRO A 67 8.340 3.189 -13.801 1.00 0.00 C ATOM 1001 C PRO A 67 8.211 1.787 -14.386 1.00 0.00 C ATOM 1002 O PRO A 67 8.370 1.590 -15.591 1.00 0.00 O ATOM 1003 CB PRO A 67 9.796 3.481 -13.428 1.00 0.00 C ATOM 1004 CG PRO A 67 9.892 3.140 -11.981 1.00 0.00 C ATOM 1005 CD PRO A 67 8.551 3.472 -11.387 1.00 0.00 C ATOM 0 HA PRO A 67 7.940 3.854 -14.566 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.485 2.881 -14.023 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.048 4.526 -13.606 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.129 2.085 -11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.685 3.711 -11.497 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.293 2.794 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.531 4.482 -10.978 1.00 0.00 H new ATOM 1013 N SER A 68 7.921 0.816 -13.526 1.00 0.00 N ATOM 1014 CA SER A 68 7.774 -0.569 -13.958 1.00 0.00 C ATOM 1015 C SER A 68 7.063 -0.645 -15.306 1.00 0.00 C ATOM 1016 O SER A 68 7.628 -1.114 -16.293 1.00 0.00 O ATOM 1017 CB SER A 68 6.997 -1.372 -12.913 1.00 0.00 C ATOM 1018 OG SER A 68 7.337 -2.746 -12.969 1.00 0.00 O ATOM 0 H SER A 68 7.783 0.963 -12.526 1.00 0.00 H new ATOM 0 HA SER A 68 8.770 -0.997 -14.067 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.210 -0.982 -11.918 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.927 -1.252 -13.080 1.00 0.00 H new ATOM 0 HG SER A 68 6.828 -3.237 -12.290 1.00 0.00 H new ATOM 1024 N SER A 69 5.818 -0.180 -15.338 1.00 0.00 N ATOM 1025 CA SER A 69 5.026 -0.198 -16.562 1.00 0.00 C ATOM 1026 C SER A 69 5.714 0.600 -17.665 1.00 0.00 C ATOM 1027 O SER A 69 6.031 0.067 -18.728 1.00 0.00 O ATOM 1028 CB SER A 69 3.630 0.370 -16.300 1.00 0.00 C ATOM 1029 OG SER A 69 2.752 0.079 -17.373 1.00 0.00 O ATOM 0 H SER A 69 5.336 0.214 -14.530 1.00 0.00 H new ATOM 0 HA SER A 69 4.933 -1.233 -16.890 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.231 -0.048 -15.376 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.693 1.449 -16.160 1.00 0.00 H new ATOM 0 HG SER A 69 1.866 0.451 -17.181 1.00 0.00 H new ATOM 1035 N GLY A 70 5.942 1.884 -17.405 1.00 0.00 N ATOM 1036 CA GLY A 70 6.591 2.736 -18.384 1.00 0.00 C ATOM 1037 C GLY A 70 8.056 2.396 -18.569 1.00 0.00 C ATOM 1038 O GLY A 70 8.850 3.243 -18.978 1.00 0.00 O ATOM 0 H GLY A 70 5.689 2.349 -16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.076 2.643 -19.340 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.499 3.777 -18.073 1.00 0.00 H new TER 1042 GLY A 70