USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.284 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 170:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 0.979 (180deg=-1.47) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.088) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -118:sc= -0.0236 (180deg=-0.204) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 52 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.067) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 96:sc= 0.628 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -5.28! C(o=-5.3!,f=-4.9!) USER MOD Single : A 61 GLN : amide:sc= -2.72 K(o=-2.7,f=-5!) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00485 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.309 -12.961 0.293 1.00 0.00 N ATOM 20 CA ALA A 3 -1.583 -13.029 -1.133 1.00 0.00 C ATOM 21 C ALA A 3 -0.262 -12.974 -1.903 1.00 0.00 C ATOM 22 O ALA A 3 0.017 -13.845 -2.726 1.00 0.00 O ATOM 23 CB ALA A 3 -2.534 -11.897 -1.526 1.00 0.00 C ATOM 0 HA ALA A 3 -2.074 -13.969 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.739 -11.949 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.468 -11.997 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.074 -10.937 -1.291 1.00 0.00 H new ATOM 29 N GLY A 4 0.516 -11.943 -1.608 1.00 0.00 N ATOM 30 CA GLY A 4 1.801 -11.764 -2.263 1.00 0.00 C ATOM 31 C GLY A 4 2.411 -10.406 -1.909 1.00 0.00 C ATOM 32 O GLY A 4 1.967 -9.746 -0.972 1.00 0.00 O ATOM 0 H GLY A 4 0.282 -11.223 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.481 -12.562 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.677 -11.841 -3.343 1.00 0.00 H new ATOM 36 N LYS A 5 3.422 -10.030 -2.679 1.00 0.00 N ATOM 37 CA LYS A 5 4.099 -8.762 -2.458 1.00 0.00 C ATOM 38 C LYS A 5 3.544 -7.717 -3.429 1.00 0.00 C ATOM 39 O LYS A 5 3.716 -7.837 -4.641 1.00 0.00 O ATOM 40 CB LYS A 5 5.615 -8.942 -2.550 1.00 0.00 C ATOM 41 CG LYS A 5 6.021 -9.495 -3.917 1.00 0.00 C ATOM 42 CD LYS A 5 6.780 -10.815 -3.771 1.00 0.00 C ATOM 43 CE LYS A 5 6.497 -11.745 -4.952 1.00 0.00 C ATOM 44 NZ LYS A 5 5.759 -12.946 -4.501 1.00 0.00 N ATOM 0 H LYS A 5 3.789 -10.580 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 5 3.905 -8.396 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.109 -7.985 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.952 -9.619 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.133 -9.648 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.645 -8.768 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.850 -10.618 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.490 -11.304 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.916 -11.216 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.435 -12.042 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.575 -13.567 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.327 -13.458 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.855 -12.658 -4.074 1.00 0.00 H new ATOM 58 N PHE A 6 2.888 -6.716 -2.859 1.00 0.00 N ATOM 59 CA PHE A 6 2.308 -5.652 -3.658 1.00 0.00 C ATOM 60 C PHE A 6 3.202 -4.410 -3.652 1.00 0.00 C ATOM 61 O PHE A 6 4.110 -4.299 -2.829 1.00 0.00 O ATOM 62 CB PHE A 6 0.961 -5.298 -3.023 1.00 0.00 C ATOM 63 CG PHE A 6 0.008 -6.488 -2.884 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.326 -7.684 -3.446 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.157 -6.347 -2.197 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.558 -8.787 -3.316 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.043 -7.450 -2.068 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.724 -8.647 -2.630 1.00 0.00 C ATOM 0 H PHE A 6 2.746 -6.620 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 6 2.197 -5.982 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.137 -4.869 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.479 -4.527 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.251 -7.795 -3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.409 -5.397 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.305 -9.737 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.969 -7.338 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.397 -9.486 -2.531 1.00 0.00 H new ATOM 78 N ILE A 7 2.915 -3.508 -4.579 1.00 0.00 N ATOM 79 CA ILE A 7 3.682 -2.280 -4.690 1.00 0.00 C ATOM 80 C ILE A 7 2.736 -1.120 -5.007 1.00 0.00 C ATOM 81 O ILE A 7 2.497 -0.809 -6.172 1.00 0.00 O ATOM 82 CB ILE A 7 4.814 -2.445 -5.707 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.747 -3.816 -6.385 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.176 -2.193 -5.057 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.695 -3.881 -7.582 1.00 0.00 C ATOM 0 H ILE A 7 2.162 -3.604 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 7 4.167 -2.047 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 7 4.685 -1.694 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.008 -4.594 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.727 -4.014 -6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.963 -2.317 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.208 -1.178 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.329 -2.904 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.628 -4.865 -8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.416 -3.118 -8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.717 -3.707 -7.246 1.00 0.00 H new ATOM 97 N VAL A 8 2.224 -0.510 -3.947 1.00 0.00 N ATOM 98 CA VAL A 8 1.309 0.609 -4.098 1.00 0.00 C ATOM 99 C VAL A 8 2.098 1.918 -4.034 1.00 0.00 C ATOM 100 O VAL A 8 3.239 1.938 -3.578 1.00 0.00 O ATOM 101 CB VAL A 8 0.203 0.525 -3.044 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.117 -0.931 -2.699 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.578 1.317 -1.791 1.00 0.00 C ATOM 0 H VAL A 8 2.425 -0.769 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 8 0.817 0.573 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.696 0.974 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.906 -0.962 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.450 -1.453 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.776 -1.417 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.225 1.240 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.497 0.912 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.730 2.364 -2.054 1.00 0.00 H new ATOM 113 N ILE A 9 1.456 2.981 -4.498 1.00 0.00 N ATOM 114 CA ILE A 9 2.084 4.292 -4.500 1.00 0.00 C ATOM 115 C ILE A 9 1.049 5.348 -4.109 1.00 0.00 C ATOM 116 O ILE A 9 -0.154 5.123 -4.240 1.00 0.00 O ATOM 117 CB ILE A 9 2.760 4.561 -5.845 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.274 4.706 -5.679 1.00 0.00 C ATOM 119 CG2 ILE A 9 2.139 5.776 -6.537 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.977 3.358 -5.855 1.00 0.00 C ATOM 0 H ILE A 9 0.508 2.961 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 9 2.880 4.334 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 9 2.589 3.700 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.657 5.418 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.498 5.111 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.638 5.946 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.078 5.594 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.258 6.655 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.052 3.490 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.609 2.656 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.771 2.968 -6.852 1.00 0.00 H new ATOM 132 N PHE A 10 1.552 6.479 -3.638 1.00 0.00 N ATOM 133 CA PHE A 10 0.685 7.571 -3.227 1.00 0.00 C ATOM 134 C PHE A 10 0.916 8.809 -4.096 1.00 0.00 C ATOM 135 O PHE A 10 2.057 9.161 -4.391 1.00 0.00 O ATOM 136 CB PHE A 10 1.043 7.905 -1.778 1.00 0.00 C ATOM 137 CG PHE A 10 1.219 6.678 -0.881 1.00 0.00 C ATOM 138 CD1 PHE A 10 2.415 6.032 -0.840 1.00 0.00 C ATOM 139 CD2 PHE A 10 0.179 6.234 -0.124 1.00 0.00 C ATOM 140 CE1 PHE A 10 2.578 4.893 -0.008 1.00 0.00 C ATOM 141 CE2 PHE A 10 0.342 5.096 0.707 1.00 0.00 C ATOM 142 CZ PHE A 10 1.538 4.449 0.749 1.00 0.00 C ATOM 0 H PHE A 10 2.550 6.664 -3.532 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.360 7.277 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.966 8.485 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.262 8.540 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.241 6.385 -1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.770 6.748 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.527 4.379 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.484 4.743 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.662 3.583 1.383 1.00 0.00 H new ATOM 152 N LYS A 11 -0.187 9.436 -4.481 1.00 0.00 N ATOM 153 CA LYS A 11 -0.119 10.628 -5.310 1.00 0.00 C ATOM 154 C LYS A 11 0.891 11.606 -4.707 1.00 0.00 C ATOM 155 O LYS A 11 1.446 11.352 -3.640 1.00 0.00 O ATOM 156 CB LYS A 11 -1.514 11.225 -5.503 1.00 0.00 C ATOM 157 CG LYS A 11 -2.165 11.545 -4.156 1.00 0.00 C ATOM 158 CD LYS A 11 -3.634 11.935 -4.335 1.00 0.00 C ATOM 159 CE LYS A 11 -3.764 13.223 -5.150 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.164 13.421 -5.587 1.00 0.00 N ATOM 0 H LYS A 11 -1.132 9.141 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 11 0.237 10.378 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.445 12.133 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.140 10.525 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.093 10.679 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.625 12.359 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.170 11.128 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.100 12.070 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.440 14.074 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.108 13.178 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.234 14.300 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.461 12.617 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.782 13.485 -4.753 1.00 0.00 H new ATOM 174 N ASN A 12 1.098 12.704 -5.418 1.00 0.00 N ATOM 175 CA ASN A 12 2.031 13.723 -4.967 1.00 0.00 C ATOM 176 C ASN A 12 1.280 14.766 -4.137 1.00 0.00 C ATOM 177 O ASN A 12 1.605 15.951 -4.183 1.00 0.00 O ATOM 178 CB ASN A 12 2.680 14.439 -6.152 1.00 0.00 C ATOM 179 CG ASN A 12 4.167 14.694 -5.893 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.774 14.125 -5.001 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.717 15.580 -6.719 1.00 0.00 N ATOM 0 H ASN A 12 0.636 12.911 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 12 2.804 13.233 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.562 13.838 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.171 15.386 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.704 15.819 -6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.152 16.020 -7.445 1.00 0.00 H new ATOM 188 N ASP A 13 0.289 14.287 -3.400 1.00 0.00 N ATOM 189 CA ASP A 13 -0.511 15.164 -2.562 1.00 0.00 C ATOM 190 C ASP A 13 -0.492 14.643 -1.123 1.00 0.00 C ATOM 191 O ASP A 13 -0.345 15.419 -0.180 1.00 0.00 O ATOM 192 CB ASP A 13 -1.966 15.199 -3.033 1.00 0.00 C ATOM 193 CG ASP A 13 -2.833 16.274 -2.375 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.241 17.157 -1.718 1.00 0.00 O ATOM 195 OD2 ASP A 13 -4.068 16.188 -2.543 1.00 0.00 O ATOM 0 H ASP A 13 0.022 13.303 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.088 16.167 -2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.979 15.353 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.417 14.225 -2.845 1.00 0.00 H new ATOM 200 N VAL A 14 -0.645 13.332 -1.000 1.00 0.00 N ATOM 201 CA VAL A 14 -0.647 12.699 0.308 1.00 0.00 C ATOM 202 C VAL A 14 0.410 13.362 1.193 1.00 0.00 C ATOM 203 O VAL A 14 1.398 13.897 0.691 1.00 0.00 O ATOM 204 CB VAL A 14 -0.441 11.190 0.159 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.528 10.879 -0.983 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.040 10.570 1.472 1.00 0.00 C ATOM 0 H VAL A 14 -0.768 12.692 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.612 12.836 0.797 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.404 10.743 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.657 9.800 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.127 11.271 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.492 11.345 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.178 9.497 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.987 11.025 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.702 10.746 2.251 1.00 0.00 H new ATOM 216 N SER A 15 0.167 13.304 2.495 1.00 0.00 N ATOM 217 CA SER A 15 1.086 13.892 3.454 1.00 0.00 C ATOM 218 C SER A 15 2.121 12.854 3.892 1.00 0.00 C ATOM 219 O SER A 15 1.915 11.653 3.714 1.00 0.00 O ATOM 220 CB SER A 15 0.337 14.440 4.670 1.00 0.00 C ATOM 221 OG SER A 15 0.447 13.576 5.798 1.00 0.00 O ATOM 0 H SER A 15 -0.653 12.859 2.907 1.00 0.00 H new ATOM 0 HA SER A 15 1.598 14.724 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.732 15.423 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.715 14.575 4.418 1.00 0.00 H new ATOM 0 HG SER A 15 -0.043 13.961 6.554 1.00 0.00 H new ATOM 227 N GLU A 16 3.212 13.353 4.455 1.00 0.00 N ATOM 228 CA GLU A 16 4.279 12.482 4.919 1.00 0.00 C ATOM 229 C GLU A 16 3.779 11.588 6.055 1.00 0.00 C ATOM 230 O GLU A 16 3.963 10.372 6.020 1.00 0.00 O ATOM 231 CB GLU A 16 5.496 13.297 5.360 1.00 0.00 C ATOM 232 CG GLU A 16 6.673 12.381 5.706 1.00 0.00 C ATOM 233 CD GLU A 16 7.582 12.173 4.492 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.030 11.843 3.420 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.806 12.351 4.664 1.00 0.00 O ATOM 0 H GLU A 16 3.380 14.349 4.600 1.00 0.00 H new ATOM 0 HA GLU A 16 4.588 11.845 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.786 13.983 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.237 13.905 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.247 12.815 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.299 11.418 6.054 1.00 0.00 H new ATOM 242 N ASP A 17 3.154 12.223 7.035 1.00 0.00 N ATOM 243 CA ASP A 17 2.625 11.500 8.179 1.00 0.00 C ATOM 244 C ASP A 17 1.559 10.510 7.703 1.00 0.00 C ATOM 245 O ASP A 17 1.466 9.397 8.218 1.00 0.00 O ATOM 246 CB ASP A 17 1.971 12.454 9.180 1.00 0.00 C ATOM 247 CG ASP A 17 2.948 13.270 10.029 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.089 13.460 9.555 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.532 13.685 11.132 1.00 0.00 O ATOM 0 H ASP A 17 3.002 13.231 7.061 1.00 0.00 H new ATOM 0 HA ASP A 17 3.453 10.983 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.325 13.142 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.331 11.875 9.846 1.00 0.00 H new ATOM 254 N LYS A 18 0.782 10.952 6.725 1.00 0.00 N ATOM 255 CA LYS A 18 -0.273 10.120 6.174 1.00 0.00 C ATOM 256 C LYS A 18 0.344 8.866 5.552 1.00 0.00 C ATOM 257 O LYS A 18 -0.133 7.755 5.782 1.00 0.00 O ATOM 258 CB LYS A 18 -1.139 10.925 5.203 1.00 0.00 C ATOM 259 CG LYS A 18 -2.523 11.196 5.796 1.00 0.00 C ATOM 260 CD LYS A 18 -3.595 11.214 4.703 1.00 0.00 C ATOM 261 CE LYS A 18 -4.547 10.026 4.850 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.558 9.215 3.612 1.00 0.00 N ATOM 0 H LYS A 18 0.862 11.876 6.300 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.946 9.787 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.648 11.870 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.242 10.380 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.763 10.430 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.517 12.152 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.159 12.145 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.120 11.185 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.240 9.408 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.554 10.384 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.209 8.413 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.873 9.803 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.600 8.858 3.422 1.00 0.00 H new ATOM 276 N ILE A 19 1.395 9.086 4.776 1.00 0.00 N ATOM 277 CA ILE A 19 2.083 7.986 4.121 1.00 0.00 C ATOM 278 C ILE A 19 2.499 6.952 5.167 1.00 0.00 C ATOM 279 O ILE A 19 2.110 5.788 5.083 1.00 0.00 O ATOM 280 CB ILE A 19 3.248 8.510 3.277 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.026 8.217 1.792 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.581 7.953 3.779 1.00 0.00 C ATOM 283 CD1 ILE A 19 3.937 9.083 0.920 1.00 0.00 C ATOM 0 H ILE A 19 1.787 10.008 4.586 1.00 0.00 H new ATOM 0 HA ILE A 19 1.414 7.481 3.424 1.00 0.00 H new ATOM 0 HB ILE A 19 3.290 9.594 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.220 7.163 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.984 8.404 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.392 8.340 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.735 8.256 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.567 6.865 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.759 8.855 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.723 10.136 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.979 8.876 1.165 1.00 0.00 H new ATOM 295 N ARG A 20 3.284 7.413 6.131 1.00 0.00 N ATOM 296 CA ARG A 20 3.756 6.543 7.193 1.00 0.00 C ATOM 297 C ARG A 20 2.571 5.907 7.924 1.00 0.00 C ATOM 298 O ARG A 20 2.675 4.790 8.428 1.00 0.00 O ATOM 299 CB ARG A 20 4.613 7.315 8.198 1.00 0.00 C ATOM 300 CG ARG A 20 5.901 7.820 7.546 1.00 0.00 C ATOM 301 CD ARG A 20 6.543 8.926 8.386 1.00 0.00 C ATOM 302 NE ARG A 20 7.991 9.009 8.092 1.00 0.00 N ATOM 303 CZ ARG A 20 8.896 9.550 8.919 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.508 10.060 10.095 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.189 9.582 8.569 1.00 0.00 N ATOM 0 H ARG A 20 3.605 8.379 6.198 1.00 0.00 H new ATOM 0 HA ARG A 20 4.366 5.764 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.046 8.158 8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.857 6.671 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.602 6.994 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.683 8.197 6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.065 9.881 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.390 8.724 9.446 1.00 0.00 H new ATOM 0 HE ARG A 20 8.321 8.631 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.524 10.037 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.197 10.472 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.485 9.195 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.878 9.994 9.199 1.00 0.00 H new ATOM 319 N GLU A 21 1.473 6.648 7.960 1.00 0.00 N ATOM 320 CA GLU A 21 0.270 6.170 8.622 1.00 0.00 C ATOM 321 C GLU A 21 -0.315 4.978 7.863 1.00 0.00 C ATOM 322 O GLU A 21 -0.318 3.856 8.369 1.00 0.00 O ATOM 323 CB GLU A 21 -0.761 7.292 8.760 1.00 0.00 C ATOM 324 CG GLU A 21 -0.430 8.200 9.946 1.00 0.00 C ATOM 325 CD GLU A 21 -1.583 8.231 10.950 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.565 8.951 10.664 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.457 7.537 11.982 1.00 0.00 O ATOM 0 H GLU A 21 1.391 7.575 7.542 1.00 0.00 H new ATOM 0 HA GLU A 21 0.537 5.840 9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.787 7.881 7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.754 6.863 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.476 7.846 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.226 9.210 9.590 1.00 0.00 H new ATOM 334 N THR A 22 -0.797 5.259 6.662 1.00 0.00 N ATOM 335 CA THR A 22 -1.384 4.224 5.829 1.00 0.00 C ATOM 336 C THR A 22 -0.606 2.914 5.979 1.00 0.00 C ATOM 337 O THR A 22 -1.201 1.852 6.151 1.00 0.00 O ATOM 338 CB THR A 22 -1.428 4.743 4.390 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.408 5.776 4.424 1.00 0.00 O ATOM 340 CG2 THR A 22 -2.005 3.715 3.415 1.00 0.00 C ATOM 0 H THR A 22 -0.793 6.190 6.245 1.00 0.00 H new ATOM 0 HA THR A 22 -2.404 3.998 6.139 1.00 0.00 H new ATOM 0 HB THR A 22 -0.423 5.020 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.388 6.274 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.014 4.133 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.390 2.815 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.023 3.463 3.712 1.00 0.00 H new ATOM 348 N LYS A 23 0.711 3.034 5.907 1.00 0.00 N ATOM 349 CA LYS A 23 1.576 1.873 6.033 1.00 0.00 C ATOM 350 C LYS A 23 1.388 1.251 7.418 1.00 0.00 C ATOM 351 O LYS A 23 1.078 0.066 7.532 1.00 0.00 O ATOM 352 CB LYS A 23 3.026 2.249 5.719 1.00 0.00 C ATOM 353 CG LYS A 23 3.443 1.723 4.344 1.00 0.00 C ATOM 354 CD LYS A 23 4.605 2.538 3.775 1.00 0.00 C ATOM 355 CE LYS A 23 4.118 3.880 3.226 1.00 0.00 C ATOM 356 NZ LYS A 23 5.209 4.573 2.505 1.00 0.00 N ATOM 0 H LYS A 23 1.201 3.917 5.763 1.00 0.00 H new ATOM 0 HA LYS A 23 1.303 1.112 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.139 3.333 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.686 1.840 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.734 0.676 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.595 1.767 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.349 2.708 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.096 1.973 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.275 3.720 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.760 4.506 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.810 5.122 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.705 5.213 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.880 3.871 2.133 1.00 0.00 H new ATOM 370 N ASP A 24 1.584 2.078 8.435 1.00 0.00 N ATOM 371 CA ASP A 24 1.439 1.622 9.807 1.00 0.00 C ATOM 372 C ASP A 24 0.105 0.890 9.960 1.00 0.00 C ATOM 373 O ASP A 24 0.025 -0.123 10.653 1.00 0.00 O ATOM 374 CB ASP A 24 1.446 2.802 10.782 1.00 0.00 C ATOM 375 CG ASP A 24 2.784 3.057 11.479 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.805 2.572 10.944 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.756 3.731 12.532 1.00 0.00 O ATOM 0 H ASP A 24 1.842 3.060 8.336 1.00 0.00 H new ATOM 0 HA ASP A 24 2.276 0.961 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.158 3.703 10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.684 2.630 11.542 1.00 0.00 H new ATOM 382 N GLU A 25 -0.909 1.431 9.301 1.00 0.00 N ATOM 383 CA GLU A 25 -2.236 0.843 9.355 1.00 0.00 C ATOM 384 C GLU A 25 -2.200 -0.594 8.830 1.00 0.00 C ATOM 385 O GLU A 25 -2.923 -1.458 9.326 1.00 0.00 O ATOM 386 CB GLU A 25 -3.243 1.688 8.572 1.00 0.00 C ATOM 387 CG GLU A 25 -4.468 2.014 9.430 1.00 0.00 C ATOM 388 CD GLU A 25 -4.120 3.030 10.520 1.00 0.00 C ATOM 389 OE1 GLU A 25 -3.512 4.062 10.160 1.00 0.00 O ATOM 390 OE2 GLU A 25 -4.468 2.752 11.687 1.00 0.00 O ATOM 0 H GLU A 25 -0.838 2.271 8.727 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.561 0.822 10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.769 2.612 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.554 1.152 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.263 2.411 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.849 1.101 9.887 1.00 0.00 H new ATOM 397 N VAL A 26 -1.353 -0.806 7.834 1.00 0.00 N ATOM 398 CA VAL A 26 -1.214 -2.122 7.236 1.00 0.00 C ATOM 399 C VAL A 26 -0.376 -3.011 8.158 1.00 0.00 C ATOM 400 O VAL A 26 -0.653 -4.200 8.301 1.00 0.00 O ATOM 401 CB VAL A 26 -0.628 -2.000 5.829 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.818 -2.497 5.792 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.490 -2.744 4.808 1.00 0.00 C ATOM 0 H VAL A 26 -0.755 -0.087 7.426 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.190 -2.595 7.126 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.626 -0.944 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.211 -2.399 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.425 -1.903 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.851 -3.544 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.050 -2.641 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.540 -3.800 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.495 -2.323 4.805 1.00 0.00 H new ATOM 413 N ILE A 27 0.634 -2.397 8.759 1.00 0.00 N ATOM 414 CA ILE A 27 1.515 -3.117 9.663 1.00 0.00 C ATOM 415 C ILE A 27 0.686 -3.739 10.789 1.00 0.00 C ATOM 416 O ILE A 27 0.753 -4.945 11.021 1.00 0.00 O ATOM 417 CB ILE A 27 2.637 -2.203 10.158 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.409 -1.597 8.984 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.559 -2.944 11.129 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.084 -2.689 8.150 1.00 0.00 C ATOM 0 H ILE A 27 0.861 -1.410 8.637 1.00 0.00 H new ATOM 0 HA ILE A 27 2.009 -3.936 9.141 1.00 0.00 H new ATOM 0 HB ILE A 27 2.187 -1.377 10.708 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.729 -1.022 8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.161 -0.903 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.348 -2.272 11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.983 -3.287 11.988 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.004 -3.802 10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.626 -2.232 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.781 -3.246 8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.327 -3.367 7.757 1.00 0.00 H new ATOM 432 N ALA A 28 -0.076 -2.886 11.459 1.00 0.00 N ATOM 433 CA ALA A 28 -0.916 -3.338 12.555 1.00 0.00 C ATOM 434 C ALA A 28 -2.052 -4.200 12.000 1.00 0.00 C ATOM 435 O ALA A 28 -2.314 -5.289 12.509 1.00 0.00 O ATOM 436 CB ALA A 28 -1.432 -2.126 13.335 1.00 0.00 C ATOM 0 H ALA A 28 -0.129 -1.886 11.264 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.344 -3.954 13.249 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.062 -2.464 14.157 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.588 -1.563 13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.014 -1.487 12.671 1.00 0.00 H new ATOM 442 N GLU A 29 -2.695 -3.681 10.965 1.00 0.00 N ATOM 443 CA GLU A 29 -3.796 -4.390 10.336 1.00 0.00 C ATOM 444 C GLU A 29 -3.381 -5.825 10.003 1.00 0.00 C ATOM 445 O GLU A 29 -3.783 -6.764 10.688 1.00 0.00 O ATOM 446 CB GLU A 29 -4.278 -3.654 9.084 1.00 0.00 C ATOM 447 CG GLU A 29 -5.294 -4.496 8.310 1.00 0.00 C ATOM 448 CD GLU A 29 -6.496 -3.650 7.884 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.272 -2.696 7.108 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.611 -3.977 8.344 1.00 0.00 O ATOM 0 H GLU A 29 -2.475 -2.778 10.546 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.628 -4.427 11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.729 -2.703 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.427 -3.424 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.818 -4.928 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.631 -5.327 8.930 1.00 0.00 H new ATOM 457 N GLY A 30 -2.586 -5.948 8.951 1.00 0.00 N ATOM 458 CA GLY A 30 -2.113 -7.253 8.519 1.00 0.00 C ATOM 459 C GLY A 30 -0.857 -7.122 7.653 1.00 0.00 C ATOM 460 O GLY A 30 0.236 -7.487 8.080 1.00 0.00 O ATOM 0 H GLY A 30 -2.257 -5.166 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.896 -7.872 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.897 -7.760 7.955 1.00 0.00 H new ATOM 464 N GLY A 31 -1.059 -6.600 6.453 1.00 0.00 N ATOM 465 CA GLY A 31 0.043 -6.416 5.523 1.00 0.00 C ATOM 466 C GLY A 31 1.293 -5.909 6.246 1.00 0.00 C ATOM 467 O GLY A 31 1.209 -5.435 7.378 1.00 0.00 O ATOM 0 H GLY A 31 -1.968 -6.299 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.265 -7.360 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.246 -5.706 4.748 1.00 0.00 H new ATOM 471 N THR A 32 2.421 -6.027 5.563 1.00 0.00 N ATOM 472 CA THR A 32 3.687 -5.586 6.126 1.00 0.00 C ATOM 473 C THR A 32 4.529 -4.883 5.060 1.00 0.00 C ATOM 474 O THR A 32 4.139 -4.826 3.895 1.00 0.00 O ATOM 475 CB THR A 32 4.379 -6.804 6.742 1.00 0.00 C ATOM 476 OG1 THR A 32 3.327 -7.748 6.922 1.00 0.00 O ATOM 477 CG2 THR A 32 4.885 -6.535 8.161 1.00 0.00 C ATOM 0 H THR A 32 2.486 -6.422 4.625 1.00 0.00 H new ATOM 0 HA THR A 32 3.535 -4.847 6.913 1.00 0.00 H new ATOM 0 HB THR A 32 5.214 -7.104 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.688 -8.569 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.367 -7.431 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.603 -5.715 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.045 -6.267 8.802 1.00 0.00 H new ATOM 485 N ILE A 33 5.667 -4.366 5.498 1.00 0.00 N ATOM 486 CA ILE A 33 6.568 -3.669 4.596 1.00 0.00 C ATOM 487 C ILE A 33 7.969 -4.271 4.714 1.00 0.00 C ATOM 488 O ILE A 33 8.461 -4.496 5.819 1.00 0.00 O ATOM 489 CB ILE A 33 6.523 -2.161 4.853 1.00 0.00 C ATOM 490 CG1 ILE A 33 5.081 -1.674 5.011 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.270 -1.395 3.759 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.272 -1.935 3.738 1.00 0.00 C ATOM 0 H ILE A 33 5.986 -4.416 6.466 1.00 0.00 H new ATOM 0 HA ILE A 33 6.250 -3.803 3.562 1.00 0.00 H new ATOM 0 HB ILE A 33 7.036 -1.960 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.612 -2.181 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.076 -0.608 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.222 -0.326 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.312 -1.714 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.808 -1.598 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.251 -1.580 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.730 -1.407 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.259 -3.005 3.528 1.00 0.00 H new ATOM 504 N THR A 34 8.573 -4.515 3.560 1.00 0.00 N ATOM 505 CA THR A 34 9.908 -5.088 3.521 1.00 0.00 C ATOM 506 C THR A 34 10.908 -4.072 2.962 1.00 0.00 C ATOM 507 O THR A 34 12.097 -4.134 3.268 1.00 0.00 O ATOM 508 CB THR A 34 9.843 -6.385 2.712 1.00 0.00 C ATOM 509 OG1 THR A 34 9.450 -5.962 1.409 1.00 0.00 O ATOM 510 CG2 THR A 34 8.705 -7.301 3.165 1.00 0.00 C ATOM 0 H THR A 34 8.163 -4.326 2.645 1.00 0.00 H new ATOM 0 HA THR A 34 10.264 -5.331 4.522 1.00 0.00 H new ATOM 0 HB THR A 34 10.792 -6.915 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.385 -6.741 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.704 -8.207 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.846 -7.566 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.753 -6.784 3.047 1.00 0.00 H new ATOM 518 N ASN A 35 10.387 -3.162 2.153 1.00 0.00 N ATOM 519 CA ASN A 35 11.218 -2.135 1.549 1.00 0.00 C ATOM 520 C ASN A 35 10.327 -1.004 1.028 1.00 0.00 C ATOM 521 O ASN A 35 9.380 -1.250 0.282 1.00 0.00 O ATOM 522 CB ASN A 35 12.012 -2.693 0.366 1.00 0.00 C ATOM 523 CG ASN A 35 13.036 -3.730 0.835 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.889 -3.466 1.667 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.905 -4.920 0.256 1.00 0.00 N ATOM 0 H ASN A 35 9.400 -3.114 1.902 1.00 0.00 H new ATOM 0 HA ASN A 35 11.910 -1.772 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.330 -3.148 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.522 -1.880 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.541 -5.679 0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.169 -5.074 -0.433 1.00 0.00 H new ATOM 532 N GLU A 36 10.663 0.208 1.441 1.00 0.00 N ATOM 533 CA GLU A 36 9.906 1.377 1.026 1.00 0.00 C ATOM 534 C GLU A 36 10.574 2.041 -0.181 1.00 0.00 C ATOM 535 O GLU A 36 11.613 1.580 -0.651 1.00 0.00 O ATOM 536 CB GLU A 36 9.750 2.368 2.181 1.00 0.00 C ATOM 537 CG GLU A 36 9.057 1.712 3.376 1.00 0.00 C ATOM 538 CD GLU A 36 7.539 1.888 3.297 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.109 2.748 2.497 1.00 0.00 O ATOM 540 OE2 GLU A 36 6.844 1.160 4.038 1.00 0.00 O ATOM 0 H GLU A 36 11.450 0.407 2.059 1.00 0.00 H new ATOM 0 HA GLU A 36 8.908 1.054 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.730 2.738 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.172 3.231 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.302 0.650 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.429 2.150 4.302 1.00 0.00 H new ATOM 547 N TYR A 37 9.951 3.114 -0.646 1.00 0.00 N ATOM 548 CA TYR A 37 10.472 3.846 -1.787 1.00 0.00 C ATOM 549 C TYR A 37 10.430 5.355 -1.536 1.00 0.00 C ATOM 550 O TYR A 37 9.359 5.959 -1.537 1.00 0.00 O ATOM 551 CB TYR A 37 9.548 3.511 -2.960 1.00 0.00 C ATOM 552 CG TYR A 37 9.716 2.088 -3.498 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.958 1.647 -3.905 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.625 1.247 -3.574 1.00 0.00 C ATOM 555 CE1 TYR A 37 11.116 0.308 -4.411 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.783 -0.092 -4.080 1.00 0.00 C ATOM 557 CZ TYR A 37 10.021 -0.496 -4.473 1.00 0.00 C ATOM 558 OH TYR A 37 10.170 -1.761 -4.951 1.00 0.00 O ATOM 0 H TYR A 37 9.090 3.494 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 37 11.509 3.570 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.514 3.650 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.733 4.218 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.812 2.306 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.653 1.593 -3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.083 -0.050 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.937 -0.761 -4.146 1.00 0.00 H new ATOM 0 HH TYR A 37 9.304 -2.220 -4.936 1.00 0.00 H new ATOM 568 N ASN A 38 11.610 5.920 -1.328 1.00 0.00 N ATOM 569 CA ASN A 38 11.722 7.347 -1.076 1.00 0.00 C ATOM 570 C ASN A 38 12.423 8.015 -2.260 1.00 0.00 C ATOM 571 O ASN A 38 13.558 8.473 -2.136 1.00 0.00 O ATOM 572 CB ASN A 38 12.552 7.621 0.181 1.00 0.00 C ATOM 573 CG ASN A 38 13.763 6.689 0.252 1.00 0.00 C ATOM 574 OD1 ASN A 38 14.835 6.983 -0.252 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.534 5.552 0.904 1.00 0.00 N ATOM 0 H ASN A 38 12.497 5.416 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 38 10.717 7.746 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.886 8.658 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.932 7.486 1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.280 4.864 1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.613 5.369 1.302 1.00 0.00 H new ATOM 582 N MET A 39 11.718 8.051 -3.380 1.00 0.00 N ATOM 583 CA MET A 39 12.258 8.656 -4.586 1.00 0.00 C ATOM 584 C MET A 39 11.715 10.073 -4.779 1.00 0.00 C ATOM 585 O MET A 39 10.684 10.429 -4.210 1.00 0.00 O ATOM 586 CB MET A 39 11.890 7.798 -5.798 1.00 0.00 C ATOM 587 CG MET A 39 12.954 6.730 -6.059 1.00 0.00 C ATOM 588 SD MET A 39 12.378 5.584 -7.300 1.00 0.00 S ATOM 589 CE MET A 39 12.146 4.129 -6.293 1.00 0.00 C ATOM 0 H MET A 39 10.777 7.671 -3.479 1.00 0.00 H new ATOM 0 HA MET A 39 13.342 8.713 -4.487 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.925 7.321 -5.630 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.783 8.432 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.880 7.201 -6.389 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.179 6.196 -5.136 1.00 0.00 H new ATOM 0 HE1 MET A 39 11.785 3.310 -6.915 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.095 3.848 -5.836 1.00 0.00 H new ATOM 0 HE3 MET A 39 11.416 4.340 -5.512 1.00 0.00 H new ATOM 599 N PRO A 40 12.451 10.863 -5.604 1.00 0.00 N ATOM 600 CA PRO A 40 12.054 12.234 -5.880 1.00 0.00 C ATOM 601 C PRO A 40 10.866 12.277 -6.842 1.00 0.00 C ATOM 602 O PRO A 40 11.003 11.948 -8.019 1.00 0.00 O ATOM 603 CB PRO A 40 13.300 12.899 -6.444 1.00 0.00 C ATOM 604 CG PRO A 40 14.207 11.768 -6.897 1.00 0.00 C ATOM 605 CD PRO A 40 13.678 10.475 -6.296 1.00 0.00 C ATOM 0 HA PRO A 40 11.707 12.759 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.049 13.556 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.790 13.514 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.223 11.704 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.232 11.948 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.479 9.732 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.399 10.034 -5.607 1.00 0.00 H new ATOM 613 N GLY A 41 9.726 12.687 -6.306 1.00 0.00 N ATOM 614 CA GLY A 41 8.514 12.778 -7.102 1.00 0.00 C ATOM 615 C GLY A 41 7.720 11.471 -7.045 1.00 0.00 C ATOM 616 O GLY A 41 6.565 11.423 -7.466 1.00 0.00 O ATOM 0 H GLY A 41 9.616 12.960 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.896 13.599 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.771 13.007 -8.136 1.00 0.00 H new ATOM 620 N MET A 42 8.372 10.443 -6.519 1.00 0.00 N ATOM 621 CA MET A 42 7.742 9.139 -6.402 1.00 0.00 C ATOM 622 C MET A 42 7.799 8.632 -4.960 1.00 0.00 C ATOM 623 O MET A 42 8.880 8.425 -4.412 1.00 0.00 O ATOM 624 CB MET A 42 8.452 8.145 -7.322 1.00 0.00 C ATOM 625 CG MET A 42 7.776 6.773 -7.272 1.00 0.00 C ATOM 626 SD MET A 42 7.591 6.124 -8.925 1.00 0.00 S ATOM 627 CE MET A 42 7.391 4.389 -8.555 1.00 0.00 C ATOM 0 H MET A 42 9.329 10.487 -6.170 1.00 0.00 H new ATOM 0 HA MET A 42 6.696 9.233 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.444 8.521 -8.345 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.496 8.051 -7.025 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.370 6.087 -6.667 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.800 6.856 -6.794 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.207 3.824 -9.006 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.402 4.244 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.441 4.038 -8.958 1.00 0.00 H new ATOM 637 N LYS A 43 6.619 8.446 -4.385 1.00 0.00 N ATOM 638 CA LYS A 43 6.521 7.966 -3.017 1.00 0.00 C ATOM 639 C LYS A 43 5.652 6.706 -2.984 1.00 0.00 C ATOM 640 O LYS A 43 4.452 6.769 -3.247 1.00 0.00 O ATOM 641 CB LYS A 43 6.025 9.080 -2.093 1.00 0.00 C ATOM 642 CG LYS A 43 6.880 9.164 -0.828 1.00 0.00 C ATOM 643 CD LYS A 43 8.064 10.113 -1.029 1.00 0.00 C ATOM 644 CE LYS A 43 8.373 10.885 0.255 1.00 0.00 C ATOM 645 NZ LYS A 43 9.343 10.140 1.088 1.00 0.00 N ATOM 0 H LYS A 43 5.724 8.619 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 43 7.504 7.685 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.054 10.034 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.985 8.897 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.269 9.510 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.245 8.171 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.942 9.545 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.841 10.813 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.776 11.867 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.454 11.050 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.541 10.678 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.945 9.213 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.226 10.004 0.555 1.00 0.00 H new ATOM 659 N GLY A 44 6.292 5.593 -2.659 1.00 0.00 N ATOM 660 CA GLY A 44 5.593 4.321 -2.587 1.00 0.00 C ATOM 661 C GLY A 44 6.298 3.361 -1.628 1.00 0.00 C ATOM 662 O GLY A 44 7.220 3.755 -0.916 1.00 0.00 O ATOM 0 H GLY A 44 7.288 5.545 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.568 4.484 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.540 3.875 -3.580 1.00 0.00 H new ATOM 666 N PHE A 45 5.836 2.120 -1.640 1.00 0.00 N ATOM 667 CA PHE A 45 6.411 1.099 -0.779 1.00 0.00 C ATOM 668 C PHE A 45 6.083 -0.303 -1.297 1.00 0.00 C ATOM 669 O PHE A 45 5.148 -0.478 -2.077 1.00 0.00 O ATOM 670 CB PHE A 45 5.785 1.278 0.607 1.00 0.00 C ATOM 671 CG PHE A 45 4.382 0.681 0.737 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.213 -0.668 0.720 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.304 1.500 0.870 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.911 -1.222 0.841 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.003 0.946 0.992 1.00 0.00 C ATOM 676 CZ PHE A 45 1.833 -0.403 0.975 1.00 0.00 C ATOM 0 H PHE A 45 5.070 1.797 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 45 7.496 1.202 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.435 0.817 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.739 2.342 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.069 -1.318 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.438 2.572 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.777 -2.294 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.147 1.596 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.843 -0.824 1.068 1.00 0.00 H new ATOM 686 N ALA A 46 6.870 -1.266 -0.840 1.00 0.00 N ATOM 687 CA ALA A 46 6.676 -2.648 -1.248 1.00 0.00 C ATOM 688 C ALA A 46 6.677 -3.545 -0.009 1.00 0.00 C ATOM 689 O ALA A 46 7.539 -3.410 0.860 1.00 0.00 O ATOM 690 CB ALA A 46 7.760 -3.041 -2.253 1.00 0.00 C ATOM 0 H ALA A 46 7.643 -1.117 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 46 5.713 -2.770 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.614 -4.077 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.698 -2.393 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.741 -2.934 -1.790 1.00 0.00 H new ATOM 696 N GLY A 47 5.701 -4.440 0.036 1.00 0.00 N ATOM 697 CA GLY A 47 5.579 -5.359 1.154 1.00 0.00 C ATOM 698 C GLY A 47 4.544 -6.447 0.860 1.00 0.00 C ATOM 699 O GLY A 47 4.159 -6.647 -0.291 1.00 0.00 O ATOM 0 H GLY A 47 4.987 -4.548 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.546 -5.818 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.290 -4.810 2.050 1.00 0.00 H new ATOM 703 N GLU A 48 4.122 -7.120 1.920 1.00 0.00 N ATOM 704 CA GLU A 48 3.139 -8.182 1.790 1.00 0.00 C ATOM 705 C GLU A 48 1.749 -7.667 2.168 1.00 0.00 C ATOM 706 O GLU A 48 1.577 -7.041 3.213 1.00 0.00 O ATOM 707 CB GLU A 48 3.525 -9.394 2.640 1.00 0.00 C ATOM 708 CG GLU A 48 3.781 -10.621 1.761 1.00 0.00 C ATOM 709 CD GLU A 48 2.467 -11.204 1.239 1.00 0.00 C ATOM 710 OE1 GLU A 48 1.430 -10.532 1.430 1.00 0.00 O ATOM 711 OE2 GLU A 48 2.527 -12.310 0.660 1.00 0.00 O ATOM 0 H GLU A 48 4.443 -6.950 2.873 1.00 0.00 H new ATOM 0 HA GLU A 48 3.115 -8.503 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.419 -9.166 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.729 -9.612 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.419 -10.345 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.317 -11.378 2.334 1.00 0.00 H new ATOM 718 N LEU A 49 0.791 -7.950 1.297 1.00 0.00 N ATOM 719 CA LEU A 49 -0.579 -7.523 1.526 1.00 0.00 C ATOM 720 C LEU A 49 -1.534 -8.636 1.092 1.00 0.00 C ATOM 721 O LEU A 49 -1.104 -9.750 0.798 1.00 0.00 O ATOM 722 CB LEU A 49 -0.844 -6.182 0.840 1.00 0.00 C ATOM 723 CG LEU A 49 -0.561 -4.933 1.678 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.886 -4.470 1.500 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.561 -3.820 1.358 1.00 0.00 C ATOM 0 H LEU A 49 0.937 -8.470 0.432 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.752 -7.350 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.238 -6.133 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.888 -6.157 0.527 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.690 -5.191 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.061 -3.581 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.563 -5.263 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.066 -4.235 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.338 -2.944 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.487 -3.557 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.572 -4.165 1.576 1.00 0.00 H new ATOM 737 N THR A 50 -2.815 -8.296 1.065 1.00 0.00 N ATOM 738 CA THR A 50 -3.836 -9.253 0.671 1.00 0.00 C ATOM 739 C THR A 50 -4.938 -8.556 -0.129 1.00 0.00 C ATOM 740 O THR A 50 -4.829 -7.373 -0.443 1.00 0.00 O ATOM 741 CB THR A 50 -4.347 -9.946 1.936 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.446 -9.519 2.954 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.163 -11.464 1.887 1.00 0.00 C ATOM 0 H THR A 50 -3.169 -7.371 1.310 1.00 0.00 H new ATOM 0 HA THR A 50 -3.430 -10.016 0.007 1.00 0.00 H new ATOM 0 HB THR A 50 -5.403 -9.713 2.076 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.705 -9.921 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.542 -11.906 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.712 -11.870 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.104 -11.699 1.780 1.00 0.00 H new ATOM 751 N PRO A 51 -6.003 -9.343 -0.443 1.00 0.00 N ATOM 752 CA PRO A 51 -7.124 -8.814 -1.201 1.00 0.00 C ATOM 753 C PRO A 51 -8.002 -7.916 -0.327 1.00 0.00 C ATOM 754 O PRO A 51 -8.745 -7.080 -0.840 1.00 0.00 O ATOM 755 CB PRO A 51 -7.861 -10.039 -1.719 1.00 0.00 C ATOM 756 CG PRO A 51 -7.399 -11.200 -0.853 1.00 0.00 C ATOM 757 CD PRO A 51 -6.167 -10.749 -0.088 1.00 0.00 C ATOM 0 HA PRO A 51 -6.809 -8.175 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.940 -9.904 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.630 -10.219 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.188 -11.499 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.168 -12.068 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.301 -10.873 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.291 -11.333 -0.369 1.00 0.00 H new ATOM 765 N GLN A 52 -7.886 -8.118 0.977 1.00 0.00 N ATOM 766 CA GLN A 52 -8.659 -7.335 1.927 1.00 0.00 C ATOM 767 C GLN A 52 -8.062 -5.934 2.073 1.00 0.00 C ATOM 768 O GLN A 52 -8.769 -4.937 1.944 1.00 0.00 O ATOM 769 CB GLN A 52 -8.739 -8.041 3.282 1.00 0.00 C ATOM 770 CG GLN A 52 -9.628 -7.263 4.254 1.00 0.00 C ATOM 771 CD GLN A 52 -9.342 -7.667 5.702 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.222 -8.064 6.448 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.066 -7.544 6.056 1.00 0.00 N ATOM 0 H GLN A 52 -7.269 -8.812 1.398 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.675 -7.237 1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.134 -9.048 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.738 -8.144 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.458 -6.193 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.677 -7.448 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.380 -7.205 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.773 -7.788 7.002 1.00 0.00 H new ATOM 782 N SER A 53 -6.764 -5.904 2.338 1.00 0.00 N ATOM 783 CA SER A 53 -6.063 -4.643 2.502 1.00 0.00 C ATOM 784 C SER A 53 -6.245 -3.776 1.254 1.00 0.00 C ATOM 785 O SER A 53 -6.441 -2.566 1.356 1.00 0.00 O ATOM 786 CB SER A 53 -4.575 -4.870 2.777 1.00 0.00 C ATOM 787 OG SER A 53 -4.255 -4.704 4.156 1.00 0.00 O ATOM 0 H SER A 53 -6.180 -6.734 2.443 1.00 0.00 H new ATOM 0 HA SER A 53 -6.489 -4.126 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.297 -5.875 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.986 -4.172 2.182 1.00 0.00 H new ATOM 0 HG SER A 53 -3.297 -4.859 4.290 1.00 0.00 H new ATOM 793 N LEU A 54 -6.173 -4.430 0.103 1.00 0.00 N ATOM 794 CA LEU A 54 -6.327 -3.735 -1.163 1.00 0.00 C ATOM 795 C LEU A 54 -7.661 -2.984 -1.168 1.00 0.00 C ATOM 796 O LEU A 54 -7.684 -1.754 -1.140 1.00 0.00 O ATOM 797 CB LEU A 54 -6.166 -4.709 -2.332 1.00 0.00 C ATOM 798 CG LEU A 54 -4.998 -4.431 -3.280 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.658 -4.559 -2.552 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.067 -5.331 -4.515 1.00 0.00 C ATOM 0 H LEU A 54 -6.010 -5.434 0.022 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.540 -2.991 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.049 -5.714 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.088 -4.704 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.079 -3.401 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.845 -4.356 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.620 -3.843 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.554 -5.569 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.225 -5.113 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.025 -6.376 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.000 -5.147 -5.048 1.00 0.00 H new ATOM 812 N THR A 55 -8.738 -3.754 -1.205 1.00 0.00 N ATOM 813 CA THR A 55 -10.071 -3.177 -1.215 1.00 0.00 C ATOM 814 C THR A 55 -10.124 -1.943 -0.311 1.00 0.00 C ATOM 815 O THR A 55 -10.890 -1.015 -0.566 1.00 0.00 O ATOM 816 CB THR A 55 -11.062 -4.269 -0.810 1.00 0.00 C ATOM 817 OG1 THR A 55 -10.871 -5.290 -1.786 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.518 -3.839 -1.000 1.00 0.00 C ATOM 0 H THR A 55 -8.715 -4.773 -1.228 1.00 0.00 H new ATOM 0 HA THR A 55 -10.342 -2.825 -2.210 1.00 0.00 H new ATOM 0 HB THR A 55 -10.897 -4.540 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.256 -5.968 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.180 -4.651 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.720 -2.959 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.693 -3.600 -2.049 1.00 0.00 H new ATOM 826 N LYS A 56 -9.300 -1.973 0.726 1.00 0.00 N ATOM 827 CA LYS A 56 -9.245 -0.869 1.669 1.00 0.00 C ATOM 828 C LYS A 56 -8.801 0.399 0.936 1.00 0.00 C ATOM 829 O LYS A 56 -9.598 1.314 0.735 1.00 0.00 O ATOM 830 CB LYS A 56 -8.360 -1.230 2.864 1.00 0.00 C ATOM 831 CG LYS A 56 -8.782 -0.451 4.113 1.00 0.00 C ATOM 832 CD LYS A 56 -8.226 0.974 4.083 1.00 0.00 C ATOM 833 CE LYS A 56 -6.706 0.974 4.260 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.348 1.298 5.659 1.00 0.00 N ATOM 0 H LYS A 56 -8.665 -2.744 0.934 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.234 -0.670 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.425 -2.300 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.318 -1.011 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.870 -0.420 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.425 -0.966 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.485 1.449 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.688 1.565 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.303 -0.002 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.255 1.702 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.313 1.294 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.717 2.240 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.762 0.589 6.297 1.00 0.00 H new ATOM 848 N PHE A 57 -7.531 0.413 0.560 1.00 0.00 N ATOM 849 CA PHE A 57 -6.972 1.554 -0.146 1.00 0.00 C ATOM 850 C PHE A 57 -7.124 1.390 -1.659 1.00 0.00 C ATOM 851 O PHE A 57 -6.420 2.041 -2.430 1.00 0.00 O ATOM 852 CB PHE A 57 -5.483 1.610 0.203 1.00 0.00 C ATOM 853 CG PHE A 57 -4.741 0.291 -0.026 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.414 -0.096 -1.288 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.408 -0.494 1.034 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.725 -1.319 -1.500 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.718 -1.717 0.821 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.392 -2.104 -0.441 1.00 0.00 C ATOM 0 H PHE A 57 -6.873 -0.347 0.731 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.493 2.465 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.009 2.390 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.376 1.899 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.679 0.527 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.668 -0.188 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.465 -1.626 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.452 -2.340 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.869 -3.035 -0.602 1.00 0.00 H new ATOM 868 N GLN A 58 -8.046 0.518 -2.038 1.00 0.00 N ATOM 869 CA GLN A 58 -8.299 0.261 -3.446 1.00 0.00 C ATOM 870 C GLN A 58 -9.402 1.186 -3.965 1.00 0.00 C ATOM 871 O GLN A 58 -9.123 2.169 -4.650 1.00 0.00 O ATOM 872 CB GLN A 58 -8.660 -1.207 -3.679 1.00 0.00 C ATOM 873 CG GLN A 58 -7.456 -1.990 -4.207 1.00 0.00 C ATOM 874 CD GLN A 58 -7.898 -3.086 -5.179 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.070 -3.403 -5.306 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.899 -3.645 -5.854 1.00 0.00 N ATOM 0 H GLN A 58 -8.627 -0.020 -1.395 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.385 0.469 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.008 -1.652 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.483 -1.274 -4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.767 -1.310 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.913 -2.436 -3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.941 -3.332 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.091 -4.387 -6.527 1.00 0.00 H new ATOM 885 N GLY A 59 -10.633 0.840 -3.618 1.00 0.00 N ATOM 886 CA GLY A 59 -11.779 1.626 -4.040 1.00 0.00 C ATOM 887 C GLY A 59 -11.590 3.103 -3.687 1.00 0.00 C ATOM 888 O GLY A 59 -12.231 3.973 -4.277 1.00 0.00 O ATOM 0 H GLY A 59 -10.861 0.025 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.921 1.521 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.681 1.246 -3.561 1.00 0.00 H new ATOM 892 N LEU A 60 -10.708 3.341 -2.727 1.00 0.00 N ATOM 893 CA LEU A 60 -10.428 4.698 -2.289 1.00 0.00 C ATOM 894 C LEU A 60 -9.306 5.285 -3.149 1.00 0.00 C ATOM 895 O LEU A 60 -8.695 6.287 -2.780 1.00 0.00 O ATOM 896 CB LEU A 60 -10.130 4.726 -0.789 1.00 0.00 C ATOM 897 CG LEU A 60 -9.978 6.113 -0.162 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.282 6.562 0.501 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.799 6.147 0.814 1.00 0.00 C ATOM 0 H LEU A 60 -10.178 2.618 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.304 5.332 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.931 4.200 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.212 4.166 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.760 6.825 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.146 7.551 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.075 6.602 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.555 5.854 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.713 7.144 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.964 5.420 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.880 5.901 0.283 1.00 0.00 H new ATOM 911 N GLN A 61 -9.068 4.634 -4.279 1.00 0.00 N ATOM 912 CA GLN A 61 -8.031 5.079 -5.194 1.00 0.00 C ATOM 913 C GLN A 61 -8.249 6.545 -5.572 1.00 0.00 C ATOM 914 O GLN A 61 -9.290 7.122 -5.262 1.00 0.00 O ATOM 915 CB GLN A 61 -7.983 4.193 -6.441 1.00 0.00 C ATOM 916 CG GLN A 61 -6.627 3.497 -6.567 1.00 0.00 C ATOM 917 CD GLN A 61 -6.792 1.977 -6.621 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.891 1.448 -6.670 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.644 1.306 -6.606 1.00 0.00 N ATOM 0 H GLN A 61 -9.576 3.802 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.068 4.994 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.776 3.447 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.169 4.798 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.119 3.843 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.996 3.768 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.759 1.811 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.649 0.286 -6.636 1.00 0.00 H new ATOM 928 N GLY A 62 -7.249 7.108 -6.235 1.00 0.00 N ATOM 929 CA GLY A 62 -7.318 8.496 -6.657 1.00 0.00 C ATOM 930 C GLY A 62 -7.512 9.425 -5.458 1.00 0.00 C ATOM 931 O GLY A 62 -7.867 10.592 -5.623 1.00 0.00 O ATOM 0 H GLY A 62 -6.386 6.627 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.403 8.765 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.142 8.626 -7.359 1.00 0.00 H new ATOM 935 N ASP A 63 -7.272 8.873 -4.278 1.00 0.00 N ATOM 936 CA ASP A 63 -7.416 9.639 -3.051 1.00 0.00 C ATOM 937 C ASP A 63 -6.085 9.641 -2.297 1.00 0.00 C ATOM 938 O ASP A 63 -5.616 10.692 -1.861 1.00 0.00 O ATOM 939 CB ASP A 63 -8.476 9.021 -2.138 1.00 0.00 C ATOM 940 CG ASP A 63 -8.985 9.938 -1.023 1.00 0.00 C ATOM 941 OD1 ASP A 63 -9.519 11.012 -1.373 1.00 0.00 O ATOM 942 OD2 ASP A 63 -8.828 9.543 0.152 1.00 0.00 O ATOM 0 H ASP A 63 -6.979 7.905 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.717 10.652 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.324 8.712 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.063 8.119 -1.686 1.00 0.00 H new ATOM 947 N LEU A 64 -5.513 8.453 -2.166 1.00 0.00 N ATOM 948 CA LEU A 64 -4.246 8.305 -1.473 1.00 0.00 C ATOM 949 C LEU A 64 -3.413 7.224 -2.165 1.00 0.00 C ATOM 950 O LEU A 64 -2.390 6.791 -1.638 1.00 0.00 O ATOM 951 CB LEU A 64 -4.477 8.043 0.017 1.00 0.00 C ATOM 952 CG LEU A 64 -5.055 6.672 0.374 1.00 0.00 C ATOM 953 CD1 LEU A 64 -5.931 6.133 -0.759 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.944 5.691 0.756 1.00 0.00 C ATOM 0 H LEU A 64 -5.905 7.584 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.674 9.231 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.527 8.162 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.150 8.810 0.401 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.696 6.789 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.329 5.158 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.755 6.822 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.334 6.034 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.382 4.724 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.258 5.573 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.400 6.076 1.618 1.00 0.00 H new ATOM 966 N ILE A 65 -3.884 6.820 -3.336 1.00 0.00 N ATOM 967 CA ILE A 65 -3.196 5.798 -4.106 1.00 0.00 C ATOM 968 C ILE A 65 -3.074 6.257 -5.560 1.00 0.00 C ATOM 969 O ILE A 65 -4.080 6.444 -6.243 1.00 0.00 O ATOM 970 CB ILE A 65 -3.893 4.446 -3.945 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.898 4.002 -2.481 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.266 3.392 -4.860 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.863 2.901 -2.237 1.00 0.00 C ATOM 0 H ILE A 65 -4.733 7.182 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.183 5.655 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.933 4.561 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.684 4.856 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.890 3.640 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.781 2.441 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.358 3.710 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.212 3.273 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.888 2.604 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.094 2.039 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.869 3.274 -2.485 1.00 0.00 H new ATOM 985 N ASP A 66 -1.832 6.426 -5.991 1.00 0.00 N ATOM 986 CA ASP A 66 -1.566 6.860 -7.352 1.00 0.00 C ATOM 987 C ASP A 66 -1.532 5.640 -8.275 1.00 0.00 C ATOM 988 O ASP A 66 -2.083 5.674 -9.375 1.00 0.00 O ATOM 989 CB ASP A 66 -0.210 7.563 -7.450 1.00 0.00 C ATOM 990 CG ASP A 66 -0.236 8.923 -8.151 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.318 9.549 -8.135 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.826 9.306 -8.688 1.00 0.00 O ATOM 0 H ASP A 66 -1.000 6.270 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.355 7.553 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.186 7.697 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.483 6.911 -7.981 1.00 0.00 H new ATOM 997 N SER A 67 -0.883 4.590 -7.793 1.00 0.00 N ATOM 998 CA SER A 67 -0.771 3.363 -8.561 1.00 0.00 C ATOM 999 C SER A 67 -0.811 2.153 -7.623 1.00 0.00 C ATOM 1000 O SER A 67 -0.434 2.256 -6.457 1.00 0.00 O ATOM 1001 CB SER A 67 0.513 3.347 -9.391 1.00 0.00 C ATOM 1002 OG SER A 67 0.707 4.569 -10.098 1.00 0.00 O ATOM 0 H SER A 67 -0.429 4.564 -6.880 1.00 0.00 H new ATOM 0 HA SER A 67 -1.616 3.312 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.366 3.168 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.476 2.520 -10.100 1.00 0.00 H new ATOM 0 HG SER A 67 1.538 4.520 -10.615 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.272 1.038 -8.168 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.365 -0.189 -7.395 1.00 0.00 C ATOM 1010 C ILE A 68 -0.941 -1.372 -8.269 1.00 0.00 C ATOM 1011 O ILE A 68 -1.545 -1.627 -9.310 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.766 -0.338 -6.796 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.698 -0.940 -5.391 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.675 -1.147 -7.723 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.703 -0.263 -4.456 1.00 0.00 C ATOM 0 H ILE A 68 -1.585 0.958 -9.135 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.681 -0.158 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.206 0.655 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.904 -2.009 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.690 -0.827 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.664 -1.238 -7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.758 -0.640 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.251 -2.140 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.635 -0.709 -3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.480 0.802 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.712 -0.399 -4.846 1.00 0.00 H new ATOM 1027 N GLU A 69 0.094 -2.061 -7.813 1.00 0.00 N ATOM 1028 CA GLU A 69 0.606 -3.210 -8.540 1.00 0.00 C ATOM 1029 C GLU A 69 0.505 -4.472 -7.679 1.00 0.00 C ATOM 1030 O GLU A 69 1.480 -4.873 -7.044 1.00 0.00 O ATOM 1031 CB GLU A 69 2.047 -2.972 -8.998 1.00 0.00 C ATOM 1032 CG GLU A 69 2.226 -3.356 -10.468 1.00 0.00 C ATOM 1033 CD GLU A 69 3.343 -2.536 -11.117 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.159 -1.304 -11.215 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.356 -3.161 -11.499 1.00 0.00 O ATOM 0 H GLU A 69 0.592 -1.846 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.005 -3.353 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.308 -1.923 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.730 -3.556 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.458 -4.418 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.292 -3.195 -11.006 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.682 -5.060 -7.685 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.922 -6.267 -6.913 1.00 0.00 C ATOM 1044 C GLU A 70 -0.201 -7.457 -7.549 1.00 0.00 C ATOM 1045 O GLU A 70 -0.241 -7.632 -8.767 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.421 -6.541 -6.778 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.699 -7.507 -5.623 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.016 -8.256 -5.841 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.256 -8.657 -7.000 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.753 -8.409 -4.843 1.00 0.00 O ATOM 0 H GLU A 70 -1.488 -4.723 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.521 -6.120 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.952 -5.604 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.803 -6.961 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.880 -8.221 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.741 -6.955 -4.684 1.00 0.00 H new ATOM 1057 N ASP A 71 0.440 -8.244 -6.698 1.00 0.00 N ATOM 1058 CA ASP A 71 1.167 -9.413 -7.162 1.00 0.00 C ATOM 1059 C ASP A 71 0.876 -10.593 -6.233 1.00 0.00 C ATOM 1060 O ASP A 71 1.775 -11.365 -5.903 1.00 0.00 O ATOM 1061 CB ASP A 71 2.677 -9.163 -7.150 1.00 0.00 C ATOM 1062 CG ASP A 71 3.473 -9.960 -8.185 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.250 -9.710 -9.389 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.287 -10.802 -7.748 1.00 0.00 O ATOM 0 H ASP A 71 0.471 -8.095 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 71 0.844 -9.627 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.855 -8.101 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.061 -9.399 -6.158 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.384 -10.695 -5.836 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.805 -11.768 -4.950 1.00 0.00 C ATOM 1071 C GLY A 72 -1.579 -12.841 -5.719 1.00 0.00 C ATOM 1072 O GLY A 72 -2.202 -12.551 -6.739 1.00 0.00 O ATOM 0 H GLY A 72 -1.127 -10.053 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.068 -12.215 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.430 -11.363 -4.154 1.00 0.00 H new