USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 7 THR OG1 : rot 127:sc= 0.36 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.211) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.659 (180deg=-0.306!) USER MOD Single : A 2 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 0.899 (180deg=0.536) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.06 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 25 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -3.23! (180deg=-4.42!) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.968) USER MOD Single : A 31 GLN : amide:sc= -0.374 K(o=-0.37,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= -2.71 K(o=-2.7,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.947 (180deg=-1.53) USER MOD Single : A 49 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.027) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= -2.13 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 0.784 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.843 -89.493 8.945 1.00 9.67 N ATOM 2 CA MET A 1 51.702 -88.594 9.278 1.00 10.38 C ATOM 3 C MET A 1 50.840 -88.389 8.038 1.00 9.62 C ATOM 4 O MET A 1 51.323 -88.488 6.911 1.00 9.62 O ATOM 5 CB MET A 1 52.242 -87.249 9.774 1.00 13.77 C ATOM 6 CG MET A 1 53.169 -86.641 8.722 1.00 16.29 C ATOM 7 SD MET A 1 54.026 -85.211 9.437 1.00 17.17 S ATOM 8 CE MET A 1 53.884 -84.095 8.019 1.00 16.11 C ATOM 0 H1 MET A 1 53.693 -89.179 9.456 1.00 9.67 H new ATOM 0 H2 MET A 1 52.611 -90.467 9.226 1.00 9.67 H new ATOM 0 H3 MET A 1 53.023 -89.461 7.921 1.00 9.67 H new ATOM 0 HA MET A 1 51.094 -89.044 10.063 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.415 -86.569 9.980 1.00 13.77 H new ATOM 0 HB3 MET A 1 52.782 -87.387 10.711 1.00 13.77 H new ATOM 0 HG2 MET A 1 53.893 -87.383 8.386 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.595 -86.336 7.847 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.571 -83.258 8.144 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.132 -84.635 7.105 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.863 -83.719 7.953 1.00 16.11 H new ATOM 20 N GLN A 2 49.558 -88.108 8.255 1.00 9.27 N ATOM 21 CA GLN A 2 48.622 -87.893 7.152 1.00 9.07 C ATOM 22 C GLN A 2 48.443 -86.406 6.891 1.00 8.72 C ATOM 23 O GLN A 2 48.345 -85.597 7.819 1.00 8.22 O ATOM 24 CB GLN A 2 47.263 -88.502 7.504 1.00 14.46 C ATOM 25 CG GLN A 2 47.362 -90.027 7.496 1.00 17.01 C ATOM 26 CD GLN A 2 46.075 -90.633 8.047 1.00 20.10 C ATOM 27 OE1 GLN A 2 45.378 -89.997 8.837 1.00 21.89 O ATOM 28 NE2 GLN A 2 45.715 -91.829 7.672 1.00 19.49 N ATOM 0 H GLN A 2 49.143 -88.024 9.183 1.00 9.27 H new ATOM 0 HA GLN A 2 49.024 -88.369 6.258 1.00 9.07 H new ATOM 0 HB2 GLN A 2 46.942 -88.154 8.486 1.00 14.46 H new ATOM 0 HB3 GLN A 2 46.510 -88.173 6.787 1.00 14.46 H new ATOM 0 HG2 GLN A 2 47.537 -90.384 6.481 1.00 17.01 H new ATOM 0 HG3 GLN A 2 48.212 -90.348 8.098 1.00 17.01 H new ATOM 0 HE21 GLN A 2 46.294 -92.354 7.017 1.00 19.49 H new ATOM 0 HE22 GLN A 2 44.854 -92.239 8.034 1.00 19.49 H new ATOM 37 N ILE A 3 48.361 -86.063 5.601 1.00 5.87 N ATOM 38 CA ILE A 3 48.148 -84.687 5.169 1.00 5.07 C ATOM 39 C ILE A 3 47.000 -84.658 4.162 1.00 4.01 C ATOM 40 O ILE A 3 46.574 -85.704 3.665 1.00 4.61 O ATOM 41 CB ILE A 3 49.429 -84.082 4.578 1.00 6.55 C ATOM 42 CG1 ILE A 3 49.853 -84.804 3.291 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.560 -84.194 5.606 1.00 5.58 C ATOM 44 CD1 ILE A 3 50.896 -83.949 2.570 1.00 10.83 C ATOM 0 H ILE A 3 48.441 -86.731 4.834 1.00 5.87 H new ATOM 0 HA ILE A 3 47.884 -84.075 6.031 1.00 5.07 H new ATOM 0 HB ILE A 3 49.229 -83.038 4.336 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.266 -85.785 3.527 1.00 4.72 H new ATOM 0 HG13 ILE A 3 48.989 -84.968 2.648 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.472 -83.766 5.191 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.284 -83.653 6.511 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.729 -85.243 5.848 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.207 -84.450 1.653 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.464 -82.979 2.325 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.761 -83.808 3.217 1.00 10.83 H new ATOM 56 N PHE A 4 46.498 -83.456 3.870 1.00 4.55 N ATOM 57 CA PHE A 4 45.386 -83.304 2.923 1.00 4.68 C ATOM 58 C PHE A 4 45.733 -82.309 1.821 1.00 5.30 C ATOM 59 O PHE A 4 46.300 -81.262 2.086 1.00 5.58 O ATOM 60 CB PHE A 4 44.153 -82.820 3.686 1.00 4.83 C ATOM 61 CG PHE A 4 43.739 -83.888 4.674 1.00 7.97 C ATOM 62 CD1 PHE A 4 44.518 -84.129 5.813 1.00 6.69 C ATOM 63 CD2 PHE A 4 42.584 -84.648 4.445 1.00 8.34 C ATOM 64 CE1 PHE A 4 44.143 -85.127 6.720 1.00 9.10 C ATOM 65 CE2 PHE A 4 42.208 -85.643 5.354 1.00 10.61 C ATOM 66 CZ PHE A 4 42.987 -85.883 6.491 1.00 8.90 C ATOM 0 H PHE A 4 46.838 -82.581 4.270 1.00 4.55 H new ATOM 0 HA PHE A 4 45.188 -84.268 2.454 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.374 -81.889 4.208 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.338 -82.611 2.993 1.00 4.83 H new ATOM 0 HD1 PHE A 4 45.408 -83.544 5.991 1.00 6.69 H new ATOM 0 HD2 PHE A 4 41.984 -84.465 3.566 1.00 8.34 H new ATOM 0 HE1 PHE A 4 44.745 -85.314 7.597 1.00 9.10 H new ATOM 0 HE2 PHE A 4 41.316 -86.226 5.178 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.697 -86.651 7.192 1.00 8.90 H new ATOM 76 N VAL A 5 45.355 -82.637 0.581 1.00 4.44 N ATOM 77 CA VAL A 5 45.600 -81.739 -0.558 1.00 3.87 C ATOM 78 C VAL A 5 44.267 -81.369 -1.200 1.00 4.93 C ATOM 79 O VAL A 5 43.500 -82.244 -1.598 1.00 6.84 O ATOM 80 CB VAL A 5 46.498 -82.409 -1.604 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.794 -81.407 -2.728 1.00 5.28 C ATOM 82 CG2 VAL A 5 47.823 -82.828 -0.956 1.00 9.13 C ATOM 0 H VAL A 5 44.883 -83.508 0.339 1.00 4.44 H new ATOM 0 HA VAL A 5 46.105 -80.845 -0.193 1.00 3.87 H new ATOM 0 HB VAL A 5 45.991 -83.287 -2.005 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.433 -81.877 -3.476 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.859 -81.096 -3.193 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.301 -80.535 -2.314 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.459 -83.304 -1.703 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.328 -81.948 -0.558 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.626 -83.531 -0.146 1.00 9.13 H new ATOM 92 N LYS A 6 44.001 -80.067 -1.328 1.00 6.04 N ATOM 93 CA LYS A 6 42.762 -79.600 -1.958 1.00 6.12 C ATOM 94 C LYS A 6 43.034 -79.181 -3.405 1.00 6.57 C ATOM 95 O LYS A 6 44.052 -78.557 -3.699 1.00 5.76 O ATOM 96 CB LYS A 6 42.167 -78.400 -1.184 1.00 7.45 C ATOM 97 CG LYS A 6 41.231 -78.885 -0.060 1.00 11.12 C ATOM 98 CD LYS A 6 40.401 -77.713 0.475 1.00 14.54 C ATOM 99 CE LYS A 6 41.299 -76.505 0.753 1.00 18.84 C ATOM 100 NZ LYS A 6 40.588 -75.557 1.658 1.00 20.55 N ATOM 0 H LYS A 6 44.620 -79.323 -1.007 1.00 6.04 H new ATOM 0 HA LYS A 6 42.045 -80.421 -1.941 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.972 -77.800 -0.760 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.616 -77.756 -1.870 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.571 -79.666 -0.437 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.817 -79.325 0.747 1.00 11.12 H new ATOM 0 HD2 LYS A 6 39.632 -77.443 -0.249 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.888 -78.010 1.389 1.00 14.54 H new ATOM 0 HE2 LYS A 6 42.233 -76.830 1.211 1.00 18.84 H new ATOM 0 HE3 LYS A 6 41.558 -76.008 -0.182 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 41.197 -74.736 1.848 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 39.708 -75.238 1.205 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 40.362 -76.035 2.554 1.00 20.55 H new ATOM 114 N THR A 7 42.102 -79.518 -4.303 1.00 7.41 N ATOM 115 CA THR A 7 42.241 -79.159 -5.716 1.00 7.48 C ATOM 116 C THR A 7 41.357 -77.963 -6.060 1.00 8.75 C ATOM 117 O THR A 7 40.439 -77.599 -5.326 1.00 8.58 O ATOM 118 CB THR A 7 41.850 -80.333 -6.613 1.00 9.61 C ATOM 119 OG1 THR A 7 40.448 -80.543 -6.547 1.00 11.78 O ATOM 120 CG2 THR A 7 42.585 -81.606 -6.184 1.00 9.17 C ATOM 0 H THR A 7 41.251 -80.034 -4.078 1.00 7.41 H new ATOM 0 HA THR A 7 43.286 -78.901 -5.887 1.00 7.48 H new ATOM 0 HB THR A 7 42.133 -80.096 -7.639 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.075 -80.550 -7.453 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.294 -82.431 -6.834 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.661 -81.448 -6.259 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.324 -81.847 -5.153 1.00 9.17 H new ATOM 128 N LEU A 8 41.665 -77.384 -7.197 1.00 9.84 N ATOM 129 CA LEU A 8 40.934 -76.235 -7.702 1.00 14.15 C ATOM 130 C LEU A 8 39.459 -76.578 -7.909 1.00 17.37 C ATOM 131 O LEU A 8 38.621 -75.681 -8.004 1.00 17.01 O ATOM 132 CB LEU A 8 41.532 -75.821 -9.060 1.00 16.63 C ATOM 133 CG LEU A 8 42.865 -75.001 -8.945 1.00 18.88 C ATOM 134 CD1 LEU A 8 43.469 -74.967 -7.524 1.00 19.31 C ATOM 135 CD2 LEU A 8 43.916 -75.576 -9.910 1.00 18.59 C ATOM 0 H LEU A 8 42.427 -77.692 -7.801 1.00 9.84 H new ATOM 0 HA LEU A 8 41.014 -75.425 -6.976 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.718 -76.717 -9.652 1.00 16.63 H new ATOM 0 HB3 LEU A 8 40.797 -75.227 -9.603 1.00 16.63 H new ATOM 0 HG LEU A 8 42.601 -73.975 -9.203 1.00 18.88 H new ATOM 0 HD11 LEU A 8 44.388 -74.380 -7.533 1.00 19.31 H new ATOM 0 HD12 LEU A 8 42.755 -74.513 -6.836 1.00 19.31 H new ATOM 0 HD13 LEU A 8 43.691 -75.983 -7.199 1.00 19.31 H new ATOM 0 HD21 LEU A 8 44.839 -75.003 -9.826 1.00 18.59 H new ATOM 0 HD22 LEU A 8 44.111 -76.618 -9.656 1.00 18.59 H new ATOM 0 HD23 LEU A 8 43.543 -75.515 -10.932 1.00 18.59 H new ATOM 147 N THR A 9 39.142 -77.870 -8.015 1.00 18.33 N ATOM 148 CA THR A 9 37.756 -78.284 -8.253 1.00 19.24 C ATOM 149 C THR A 9 37.018 -78.611 -6.957 1.00 19.48 C ATOM 150 O THR A 9 35.861 -79.030 -6.979 1.00 23.14 O ATOM 151 CB THR A 9 37.707 -79.450 -9.241 1.00 18.97 C ATOM 152 OG1 THR A 9 38.286 -80.599 -8.636 1.00 20.24 O ATOM 153 CG2 THR A 9 38.496 -79.082 -10.500 1.00 19.70 C ATOM 0 H THR A 9 39.812 -78.636 -7.942 1.00 18.33 H new ATOM 0 HA THR A 9 37.232 -77.438 -8.698 1.00 19.24 H new ATOM 0 HB THR A 9 36.672 -79.661 -9.511 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.256 -81.350 -9.265 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.463 -79.912 -11.206 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.056 -78.197 -10.959 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.532 -78.875 -10.232 1.00 19.70 H new ATOM 161 N GLY A 10 37.681 -78.367 -5.828 1.00 19.43 N ATOM 162 CA GLY A 10 37.065 -78.582 -4.520 1.00 18.74 C ATOM 163 C GLY A 10 37.218 -80.005 -3.992 1.00 17.62 C ATOM 164 O GLY A 10 36.547 -80.402 -3.040 1.00 19.74 O ATOM 0 H GLY A 10 38.640 -78.022 -5.792 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.506 -77.889 -3.803 1.00 18.74 H new ATOM 0 HA3 GLY A 10 36.004 -78.341 -4.585 1.00 18.74 H new ATOM 168 N LYS A 11 38.112 -80.767 -4.618 1.00 13.56 N ATOM 169 CA LYS A 11 38.337 -82.148 -4.185 1.00 11.91 C ATOM 170 C LYS A 11 39.431 -82.195 -3.127 1.00 10.18 C ATOM 171 O LYS A 11 40.416 -81.473 -3.238 1.00 9.10 O ATOM 172 CB LYS A 11 38.781 -83.026 -5.357 1.00 13.43 C ATOM 173 CG LYS A 11 38.775 -84.497 -4.934 1.00 16.69 C ATOM 174 CD LYS A 11 39.220 -85.370 -6.109 1.00 17.92 C ATOM 175 CE LYS A 11 39.213 -86.840 -5.684 1.00 20.81 C ATOM 176 NZ LYS A 11 39.628 -87.693 -6.833 1.00 21.93 N ATOM 0 H LYS A 11 38.681 -80.464 -5.408 1.00 13.56 H new ATOM 0 HA LYS A 11 37.396 -82.520 -3.781 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.114 -82.880 -6.206 1.00 13.43 H new ATOM 0 HB3 LYS A 11 39.780 -82.736 -5.683 1.00 13.43 H new ATOM 0 HG2 LYS A 11 39.442 -84.645 -4.085 1.00 16.69 H new ATOM 0 HG3 LYS A 11 37.776 -84.788 -4.609 1.00 16.69 H new ATOM 0 HD2 LYS A 11 38.553 -85.223 -6.958 1.00 17.92 H new ATOM 0 HD3 LYS A 11 40.219 -85.079 -6.434 1.00 17.92 H new ATOM 0 HE2 LYS A 11 39.891 -86.989 -4.843 1.00 20.81 H new ATOM 0 HE3 LYS A 11 38.217 -87.127 -5.346 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 39.237 -88.649 -6.714 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 39.271 -87.280 -7.718 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 40.666 -87.746 -6.869 1.00 21.93 H new ATOM 190 N THR A 12 39.284 -83.064 -2.120 1.00 9.63 N ATOM 191 CA THR A 12 40.319 -83.190 -1.083 1.00 9.85 C ATOM 192 C THR A 12 40.904 -84.597 -1.137 1.00 11.66 C ATOM 193 O THR A 12 40.169 -85.583 -1.083 1.00 12.33 O ATOM 194 CB THR A 12 39.738 -82.920 0.309 1.00 10.85 C ATOM 195 OG1 THR A 12 39.209 -81.601 0.348 1.00 10.91 O ATOM 196 CG2 THR A 12 40.862 -83.040 1.342 1.00 9.63 C ATOM 0 H THR A 12 38.479 -83.678 -2.000 1.00 9.63 H new ATOM 0 HA THR A 12 41.099 -82.452 -1.270 1.00 9.85 H new ATOM 0 HB THR A 12 38.948 -83.638 0.529 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.835 -81.425 1.236 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.462 -82.850 2.338 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.284 -84.044 1.306 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.641 -82.311 1.118 1.00 9.63 H new ATOM 204 N ILE A 13 42.232 -84.688 -1.220 1.00 10.42 N ATOM 205 CA ILE A 13 42.908 -85.988 -1.254 1.00 11.84 C ATOM 206 C ILE A 13 43.693 -86.192 0.036 1.00 10.55 C ATOM 207 O ILE A 13 44.356 -85.276 0.519 1.00 11.92 O ATOM 208 CB ILE A 13 43.894 -86.080 -2.429 1.00 14.86 C ATOM 209 CG1 ILE A 13 43.241 -85.493 -3.681 1.00 14.87 C ATOM 210 CG2 ILE A 13 44.260 -87.545 -2.683 1.00 17.08 C ATOM 211 CD1 ILE A 13 44.135 -85.724 -4.901 1.00 16.46 C ATOM 0 H ILE A 13 42.858 -83.884 -1.265 1.00 10.42 H new ATOM 0 HA ILE A 13 42.140 -86.753 -1.370 1.00 11.84 H new ATOM 0 HB ILE A 13 44.798 -85.521 -2.189 1.00 14.86 H new ATOM 0 HG12 ILE A 13 42.267 -85.955 -3.842 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.069 -84.425 -3.544 1.00 14.87 H new ATOM 0 HG21 ILE A 13 44.959 -87.606 -3.517 1.00 17.08 H new ATOM 0 HG22 ILE A 13 44.723 -87.965 -1.790 1.00 17.08 H new ATOM 0 HG23 ILE A 13 43.359 -88.109 -2.923 1.00 17.08 H new ATOM 0 HD11 ILE A 13 43.659 -85.302 -5.786 1.00 16.46 H new ATOM 0 HD12 ILE A 13 45.099 -85.241 -4.742 1.00 16.46 H new ATOM 0 HD13 ILE A 13 44.284 -86.794 -5.045 1.00 16.46 H new ATOM 223 N THR A 14 43.631 -87.411 0.578 1.00 9.39 N ATOM 224 CA THR A 14 44.363 -87.734 1.802 1.00 9.63 C ATOM 225 C THR A 14 45.607 -88.525 1.430 1.00 11.20 C ATOM 226 O THR A 14 45.528 -89.482 0.659 1.00 11.63 O ATOM 227 CB THR A 14 43.489 -88.561 2.749 1.00 10.38 C ATOM 228 OG1 THR A 14 42.328 -87.817 3.087 1.00 16.30 O ATOM 229 CG2 THR A 14 44.275 -88.887 4.020 1.00 11.66 C ATOM 0 H THR A 14 43.087 -88.183 0.192 1.00 9.39 H new ATOM 0 HA THR A 14 44.641 -86.811 2.311 1.00 9.63 H new ATOM 0 HB THR A 14 43.198 -89.489 2.257 1.00 10.38 H new ATOM 0 HG1 THR A 14 42.547 -87.170 3.790 1.00 16.30 H new ATOM 0 HG21 THR A 14 43.651 -89.476 4.693 1.00 11.66 H new ATOM 0 HG22 THR A 14 45.167 -89.457 3.760 1.00 11.66 H new ATOM 0 HG23 THR A 14 44.568 -87.961 4.514 1.00 11.66 H new ATOM 237 N LEU A 15 46.759 -88.116 1.959 1.00 8.29 N ATOM 238 CA LEU A 15 48.020 -88.794 1.649 1.00 9.03 C ATOM 239 C LEU A 15 48.745 -89.191 2.926 1.00 8.59 C ATOM 240 O LEU A 15 48.683 -88.481 3.930 1.00 7.79 O ATOM 241 CB LEU A 15 48.919 -87.849 0.847 1.00 11.08 C ATOM 242 CG LEU A 15 48.218 -87.427 -0.451 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.064 -86.359 -1.150 1.00 15.88 C ATOM 244 CD2 LEU A 15 48.043 -88.640 -1.384 1.00 15.27 C ATOM 0 H LEU A 15 46.847 -87.326 2.598 1.00 8.29 H new ATOM 0 HA LEU A 15 47.798 -89.691 1.071 1.00 9.03 H new ATOM 0 HB2 LEU A 15 49.157 -86.968 1.443 1.00 11.08 H new ATOM 0 HB3 LEU A 15 49.863 -88.342 0.616 1.00 11.08 H new ATOM 0 HG LEU A 15 47.233 -87.025 -0.213 1.00 15.79 H new ATOM 0 HD11 LEU A 15 48.573 -86.053 -2.074 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.174 -85.495 -0.494 1.00 15.88 H new ATOM 0 HD13 LEU A 15 50.048 -86.767 -1.380 1.00 15.88 H new ATOM 0 HD21 LEU A 15 47.544 -88.325 -2.301 1.00 15.27 H new ATOM 0 HD22 LEU A 15 49.021 -89.056 -1.627 1.00 15.27 H new ATOM 0 HD23 LEU A 15 47.440 -89.399 -0.885 1.00 15.27 H new ATOM 256 N GLU A 16 49.499 -90.289 2.861 1.00 11.04 N ATOM 257 CA GLU A 16 50.310 -90.723 3.997 1.00 11.50 C ATOM 258 C GLU A 16 51.734 -90.287 3.687 1.00 10.13 C ATOM 259 O GLU A 16 52.292 -90.657 2.654 1.00 9.83 O ATOM 260 CB GLU A 16 50.222 -92.242 4.188 1.00 17.22 C ATOM 261 CG GLU A 16 51.088 -92.680 5.377 1.00 23.33 C ATOM 262 CD GLU A 16 50.484 -92.173 6.680 1.00 26.99 C ATOM 263 OE1 GLU A 16 49.306 -91.862 6.682 1.00 28.86 O ATOM 264 OE2 GLU A 16 51.210 -92.105 7.658 1.00 28.90 O ATOM 0 H GLU A 16 49.565 -90.890 2.039 1.00 11.04 H new ATOM 0 HA GLU A 16 49.958 -90.280 4.929 1.00 11.50 H new ATOM 0 HB2 GLU A 16 49.186 -92.535 4.357 1.00 17.22 H new ATOM 0 HB3 GLU A 16 50.553 -92.749 3.282 1.00 17.22 H new ATOM 0 HG2 GLU A 16 51.163 -93.767 5.401 1.00 23.33 H new ATOM 0 HG3 GLU A 16 52.100 -92.293 5.262 1.00 23.33 H new ATOM 271 N VAL A 17 52.311 -89.475 4.567 1.00 8.99 N ATOM 272 CA VAL A 17 53.664 -88.966 4.354 1.00 8.85 C ATOM 273 C VAL A 17 54.458 -88.947 5.649 1.00 8.04 C ATOM 274 O VAL A 17 53.908 -89.064 6.744 1.00 8.99 O ATOM 275 CB VAL A 17 53.596 -87.538 3.810 1.00 9.78 C ATOM 276 CG1 VAL A 17 52.880 -87.516 2.459 1.00 12.05 C ATOM 277 CG2 VAL A 17 52.834 -86.664 4.809 1.00 10.54 C ATOM 0 H VAL A 17 51.868 -89.156 5.429 1.00 8.99 H new ATOM 0 HA VAL A 17 54.159 -89.627 3.643 1.00 8.85 H new ATOM 0 HB VAL A 17 54.608 -87.156 3.673 1.00 9.78 H new ATOM 0 HG11 VAL A 17 52.840 -86.493 2.085 1.00 12.05 H new ATOM 0 HG12 VAL A 17 53.423 -88.141 1.749 1.00 12.05 H new ATOM 0 HG13 VAL A 17 51.866 -87.899 2.578 1.00 12.05 H new ATOM 0 HG21 VAL A 17 52.779 -85.643 4.431 1.00 10.54 H new ATOM 0 HG22 VAL A 17 51.826 -87.057 4.941 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.354 -86.669 5.767 1.00 10.54 H new ATOM 287 N GLU A 18 55.760 -88.737 5.496 1.00 7.29 N ATOM 288 CA GLU A 18 56.670 -88.625 6.633 1.00 7.08 C ATOM 289 C GLU A 18 57.272 -87.217 6.594 1.00 6.45 C ATOM 290 O GLU A 18 57.431 -86.666 5.505 1.00 5.28 O ATOM 291 CB GLU A 18 57.769 -89.688 6.536 1.00 10.28 C ATOM 292 CG GLU A 18 57.136 -91.077 6.654 1.00 12.65 C ATOM 293 CD GLU A 18 56.362 -91.386 5.377 1.00 14.15 C ATOM 294 OE1 GLU A 18 56.935 -91.238 4.311 1.00 14.33 O ATOM 295 OE2 GLU A 18 55.208 -91.766 5.485 1.00 18.17 O ATOM 0 H GLU A 18 56.214 -88.640 4.588 1.00 7.29 H new ATOM 0 HA GLU A 18 56.142 -88.786 7.573 1.00 7.08 H new ATOM 0 HB2 GLU A 18 58.298 -89.596 5.588 1.00 10.28 H new ATOM 0 HB3 GLU A 18 58.504 -89.542 7.327 1.00 10.28 H new ATOM 0 HG2 GLU A 18 57.908 -91.829 6.816 1.00 12.65 H new ATOM 0 HG3 GLU A 18 56.469 -91.114 7.515 1.00 12.65 H new ATOM 302 N PRO A 19 57.593 -86.590 7.707 1.00 7.24 N ATOM 303 CA PRO A 19 58.147 -85.215 7.660 1.00 7.07 C ATOM 304 C PRO A 19 59.396 -85.110 6.785 1.00 6.65 C ATOM 305 O PRO A 19 59.726 -84.032 6.290 1.00 6.37 O ATOM 306 CB PRO A 19 58.452 -84.841 9.125 1.00 7.61 C ATOM 307 CG PRO A 19 57.633 -85.805 9.936 1.00 8.16 C ATOM 308 CD PRO A 19 57.485 -87.081 9.092 1.00 7.49 C ATOM 0 HA PRO A 19 57.433 -84.529 7.204 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.515 -84.938 9.347 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.175 -83.808 9.337 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.122 -86.024 10.885 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.657 -85.381 10.170 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.264 -87.808 9.322 1.00 7.49 H new ATOM 0 HD3 PRO A 19 56.528 -87.572 9.271 1.00 7.49 H new ATOM 316 N SER A 20 60.093 -86.231 6.612 1.00 6.80 N ATOM 317 CA SER A 20 61.314 -86.251 5.810 1.00 6.28 C ATOM 318 C SER A 20 61.018 -86.434 4.324 1.00 8.45 C ATOM 319 O SER A 20 61.939 -86.434 3.508 1.00 7.26 O ATOM 320 CB SER A 20 62.238 -87.371 6.284 1.00 8.57 C ATOM 321 OG SER A 20 61.502 -88.584 6.377 1.00 11.13 O ATOM 0 H SER A 20 59.835 -87.132 7.014 1.00 6.80 H new ATOM 0 HA SER A 20 61.802 -85.285 5.942 1.00 6.28 H new ATOM 0 HB2 SER A 20 63.069 -87.490 5.589 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.667 -87.118 7.254 1.00 8.57 H new ATOM 0 HG SER A 20 62.094 -89.304 6.679 1.00 11.13 H new ATOM 327 N ASP A 21 59.744 -86.564 3.957 1.00 7.50 N ATOM 328 CA ASP A 21 59.400 -86.712 2.547 1.00 7.70 C ATOM 329 C ASP A 21 59.637 -85.379 1.858 1.00 7.08 C ATOM 330 O ASP A 21 59.386 -84.303 2.415 1.00 8.11 O ATOM 331 CB ASP A 21 57.932 -87.126 2.396 1.00 11.00 C ATOM 332 CG ASP A 21 57.761 -88.611 2.710 1.00 15.32 C ATOM 333 OD1 ASP A 21 58.747 -89.328 2.661 1.00 18.03 O ATOM 334 OD2 ASP A 21 56.644 -89.009 2.994 1.00 14.36 O ATOM 0 H ASP A 21 58.952 -86.570 4.599 1.00 7.50 H new ATOM 0 HA ASP A 21 60.019 -87.487 2.094 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.310 -86.532 3.066 1.00 11.00 H new ATOM 0 HB3 ASP A 21 57.593 -86.921 1.381 1.00 11.00 H new ATOM 339 N THR A 22 60.098 -85.482 0.610 1.00 5.37 N ATOM 340 CA THR A 22 60.347 -84.311 -0.211 1.00 6.01 C ATOM 341 C THR A 22 59.072 -83.893 -0.931 1.00 8.01 C ATOM 342 O THR A 22 58.173 -84.701 -1.142 1.00 8.11 O ATOM 343 CB THR A 22 61.420 -84.593 -1.257 1.00 8.92 C ATOM 344 OG1 THR A 22 60.975 -85.623 -2.128 1.00 10.22 O ATOM 345 CG2 THR A 22 62.736 -85.012 -0.598 1.00 9.65 C ATOM 0 H THR A 22 60.305 -86.369 0.151 1.00 5.37 H new ATOM 0 HA THR A 22 60.687 -83.513 0.449 1.00 6.01 H new ATOM 0 HB THR A 22 61.596 -83.678 -1.823 1.00 8.92 H new ATOM 0 HG1 THR A 22 61.664 -85.803 -2.801 1.00 10.22 H new ATOM 0 HG21 THR A 22 63.483 -85.207 -1.368 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.087 -84.212 0.054 1.00 9.65 H new ATOM 0 HG23 THR A 22 62.577 -85.916 -0.010 1.00 9.65 H new ATOM 353 N ILE A 23 59.021 -82.629 -1.322 1.00 8.32 N ATOM 354 CA ILE A 23 57.868 -82.097 -2.049 1.00 9.92 C ATOM 355 C ILE A 23 57.698 -82.844 -3.373 1.00 10.01 C ATOM 356 O ILE A 23 56.581 -83.189 -3.757 1.00 8.71 O ATOM 357 CB ILE A 23 58.087 -80.599 -2.276 1.00 10.78 C ATOM 358 CG1 ILE A 23 58.092 -79.853 -0.930 1.00 11.38 C ATOM 359 CG2 ILE A 23 57.010 -80.034 -3.204 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.777 -80.058 -0.170 1.00 12.30 C ATOM 0 H ILE A 23 59.762 -81.949 -1.150 1.00 8.32 H new ATOM 0 HA ILE A 23 56.954 -82.238 -1.473 1.00 9.92 H new ATOM 0 HB ILE A 23 59.056 -80.456 -2.754 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.924 -80.205 -0.321 1.00 11.38 H new ATOM 0 HG13 ILE A 23 58.251 -78.789 -1.103 1.00 11.38 H new ATOM 0 HG21 ILE A 23 57.182 -78.968 -3.354 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.052 -80.547 -4.165 1.00 10.90 H new ATOM 0 HG23 ILE A 23 56.028 -80.184 -2.755 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.815 -79.517 0.776 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.948 -79.682 -0.770 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.631 -81.120 0.025 1.00 12.30 H new ATOM 372 N GLU A 24 58.810 -83.127 -4.047 1.00 9.54 N ATOM 373 CA GLU A 24 58.765 -83.877 -5.303 1.00 11.81 C ATOM 374 C GLU A 24 58.167 -85.257 -5.043 1.00 11.14 C ATOM 375 O GLU A 24 57.439 -85.790 -5.874 1.00 10.62 O ATOM 376 CB GLU A 24 60.179 -84.037 -5.865 1.00 19.24 C ATOM 377 CG GLU A 24 60.124 -84.794 -7.194 1.00 27.76 C ATOM 378 CD GLU A 24 61.514 -84.855 -7.818 1.00 32.92 C ATOM 379 OE1 GLU A 24 62.458 -84.459 -7.153 1.00 34.80 O ATOM 380 OE2 GLU A 24 61.615 -85.294 -8.951 1.00 36.51 O ATOM 0 H GLU A 24 59.746 -82.852 -3.749 1.00 9.54 H new ATOM 0 HA GLU A 24 58.151 -83.336 -6.023 1.00 11.81 H new ATOM 0 HB2 GLU A 24 60.635 -83.058 -6.012 1.00 19.24 H new ATOM 0 HB3 GLU A 24 60.804 -84.577 -5.154 1.00 19.24 H new ATOM 0 HG2 GLU A 24 59.745 -85.803 -7.032 1.00 27.76 H new ATOM 0 HG3 GLU A 24 59.432 -84.299 -7.875 1.00 27.76 H new ATOM 387 N ASN A 25 58.489 -85.831 -3.884 1.00 9.43 N ATOM 388 CA ASN A 25 57.976 -87.155 -3.533 1.00 10.96 C ATOM 389 C ASN A 25 56.471 -87.083 -3.314 1.00 9.68 C ATOM 390 O ASN A 25 55.731 -87.937 -3.796 1.00 9.33 O ATOM 391 CB ASN A 25 58.665 -87.677 -2.271 1.00 16.78 C ATOM 392 CG ASN A 25 58.275 -89.132 -2.031 1.00 22.31 C ATOM 393 OD1 ASN A 25 57.192 -89.559 -2.430 1.00 25.66 O ATOM 394 ND2 ASN A 25 59.103 -89.924 -1.406 1.00 24.70 N ATOM 0 H ASN A 25 59.094 -85.407 -3.181 1.00 9.43 H new ATOM 0 HA ASN A 25 58.187 -87.842 -4.352 1.00 10.96 H new ATOM 0 HB2 ASN A 25 59.747 -87.594 -2.376 1.00 16.78 H new ATOM 0 HB3 ASN A 25 58.380 -87.069 -1.413 1.00 16.78 H new ATOM 0 HD21 ASN A 25 58.853 -90.900 -1.247 1.00 24.70 H new ATOM 0 HD22 ASN A 25 60.000 -89.567 -1.077 1.00 24.70 H new ATOM 401 N VAL A 26 56.015 -86.056 -2.600 1.00 6.52 N ATOM 402 CA VAL A 26 54.586 -85.903 -2.362 1.00 5.53 C ATOM 403 C VAL A 26 53.888 -85.772 -3.711 1.00 4.42 C ATOM 404 O VAL A 26 52.836 -86.375 -3.930 1.00 3.40 O ATOM 405 CB VAL A 26 54.291 -84.687 -1.479 1.00 3.86 C ATOM 406 CG1 VAL A 26 52.782 -84.430 -1.438 1.00 7.25 C ATOM 407 CG2 VAL A 26 54.812 -84.935 -0.062 1.00 8.12 C ATOM 0 H VAL A 26 56.602 -85.332 -2.185 1.00 6.52 H new ATOM 0 HA VAL A 26 54.213 -86.778 -1.830 1.00 5.53 H new ATOM 0 HB VAL A 26 54.792 -83.814 -1.896 1.00 3.86 H new ATOM 0 HG11 VAL A 26 52.577 -83.564 -0.809 1.00 7.25 H new ATOM 0 HG12 VAL A 26 52.418 -84.239 -2.447 1.00 7.25 H new ATOM 0 HG13 VAL A 26 52.275 -85.304 -1.029 1.00 7.25 H new ATOM 0 HG21 VAL A 26 54.599 -84.066 0.561 1.00 8.12 H new ATOM 0 HG22 VAL A 26 54.320 -85.812 0.358 1.00 8.12 H new ATOM 0 HG23 VAL A 26 55.888 -85.103 -0.094 1.00 8.12 H new ATOM 417 N LYS A 27 54.492 -85.014 -4.637 1.00 2.64 N ATOM 418 CA LYS A 27 53.931 -84.860 -5.973 1.00 4.14 C ATOM 419 C LYS A 27 53.835 -86.226 -6.657 1.00 5.58 C ATOM 420 O LYS A 27 52.868 -86.509 -7.356 1.00 4.11 O ATOM 421 CB LYS A 27 54.825 -83.957 -6.836 1.00 3.97 C ATOM 422 CG LYS A 27 54.681 -82.463 -6.450 1.00 7.45 C ATOM 423 CD LYS A 27 54.841 -81.557 -7.711 1.00 9.02 C ATOM 424 CE LYS A 27 56.296 -81.085 -7.859 1.00 12.90 C ATOM 425 NZ LYS A 27 57.190 -82.261 -8.057 1.00 15.47 N ATOM 0 H LYS A 27 55.362 -84.504 -4.481 1.00 2.64 H new ATOM 0 HA LYS A 27 52.943 -84.412 -5.873 1.00 4.14 H new ATOM 0 HB2 LYS A 27 55.865 -84.262 -6.724 1.00 3.97 H new ATOM 0 HB3 LYS A 27 54.566 -84.087 -7.887 1.00 3.97 H new ATOM 0 HG2 LYS A 27 53.707 -82.291 -5.992 1.00 7.45 H new ATOM 0 HG3 LYS A 27 55.433 -82.199 -5.707 1.00 7.45 H new ATOM 0 HD2 LYS A 27 54.540 -82.108 -8.602 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.180 -80.694 -7.631 1.00 9.02 H new ATOM 0 HE2 LYS A 27 56.383 -80.404 -8.706 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.600 -80.531 -6.971 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 58.090 -82.100 -7.562 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 56.732 -83.113 -7.675 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 57.372 -82.392 -9.073 1.00 15.47 H new ATOM 439 N ALA A 28 54.860 -87.056 -6.463 1.00 6.61 N ATOM 440 CA ALA A 28 54.885 -88.377 -7.082 1.00 7.74 C ATOM 441 C ALA A 28 53.731 -89.223 -6.564 1.00 9.17 C ATOM 442 O ALA A 28 53.111 -89.970 -7.319 1.00 11.45 O ATOM 443 CB ALA A 28 56.223 -89.074 -6.821 1.00 7.68 C ATOM 0 H ALA A 28 55.674 -86.839 -5.888 1.00 6.61 H new ATOM 0 HA ALA A 28 54.772 -88.255 -8.159 1.00 7.74 H new ATOM 0 HB1 ALA A 28 56.219 -90.057 -7.292 1.00 7.68 H new ATOM 0 HB2 ALA A 28 57.033 -88.475 -7.238 1.00 7.68 H new ATOM 0 HB3 ALA A 28 56.371 -89.187 -5.747 1.00 7.68 H new ATOM 449 N LYS A 29 53.430 -89.086 -5.281 1.00 8.96 N ATOM 450 CA LYS A 29 52.326 -89.828 -4.694 1.00 7.90 C ATOM 451 C LYS A 29 51.009 -89.356 -5.306 1.00 6.92 C ATOM 452 O LYS A 29 50.134 -90.162 -5.603 1.00 6.87 O ATOM 453 CB LYS A 29 52.289 -89.634 -3.177 1.00 10.28 C ATOM 454 CG LYS A 29 53.480 -90.352 -2.541 1.00 14.94 C ATOM 455 CD LYS A 29 53.445 -90.158 -1.019 1.00 19.69 C ATOM 456 CE LYS A 29 54.639 -90.875 -0.352 1.00 22.63 C ATOM 457 NZ LYS A 29 54.145 -91.664 0.812 1.00 24.98 N ATOM 0 H LYS A 29 53.928 -88.475 -4.634 1.00 8.96 H new ATOM 0 HA LYS A 29 52.469 -90.888 -4.904 1.00 7.90 H new ATOM 0 HB2 LYS A 29 52.320 -88.572 -2.935 1.00 10.28 H new ATOM 0 HB3 LYS A 29 51.356 -90.026 -2.772 1.00 10.28 H new ATOM 0 HG2 LYS A 29 53.449 -91.414 -2.783 1.00 14.94 H new ATOM 0 HG3 LYS A 29 54.413 -89.960 -2.946 1.00 14.94 H new ATOM 0 HD2 LYS A 29 53.474 -89.095 -0.782 1.00 19.69 H new ATOM 0 HD3 LYS A 29 52.509 -90.549 -0.619 1.00 19.69 H new ATOM 0 HE2 LYS A 29 55.132 -91.531 -1.069 1.00 22.63 H new ATOM 0 HE3 LYS A 29 55.380 -90.146 -0.025 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 54.945 -91.910 1.429 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 53.456 -91.098 1.347 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 53.689 -92.535 0.473 1.00 24.98 H new ATOM 471 N ILE A 30 50.901 -88.041 -5.547 1.00 4.57 N ATOM 472 CA ILE A 30 49.711 -87.467 -6.179 1.00 5.58 C ATOM 473 C ILE A 30 49.591 -87.987 -7.614 1.00 7.26 C ATOM 474 O ILE A 30 48.495 -88.296 -8.068 1.00 9.46 O ATOM 475 CB ILE A 30 49.781 -85.936 -6.141 1.00 5.36 C ATOM 476 CG1 ILE A 30 49.597 -85.495 -4.678 1.00 2.94 C ATOM 477 CG2 ILE A 30 48.670 -85.335 -7.022 1.00 2.78 C ATOM 478 CD1 ILE A 30 49.594 -83.969 -4.566 1.00 2.00 C ATOM 0 H ILE A 30 51.623 -87.359 -5.313 1.00 4.57 H new ATOM 0 HA ILE A 30 48.820 -87.772 -5.630 1.00 5.58 H new ATOM 0 HB ILE A 30 50.740 -85.588 -6.524 1.00 5.36 H new ATOM 0 HG12 ILE A 30 48.661 -85.894 -4.288 1.00 2.94 H new ATOM 0 HG13 ILE A 30 50.399 -85.907 -4.066 1.00 2.94 H new ATOM 0 HG21 ILE A 30 48.728 -84.247 -6.989 1.00 2.78 H new ATOM 0 HG22 ILE A 30 48.798 -85.674 -8.050 1.00 2.78 H new ATOM 0 HG23 ILE A 30 47.697 -85.658 -6.652 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.463 -83.681 -3.523 1.00 2.00 H new ATOM 0 HD12 ILE A 30 50.541 -83.575 -4.935 1.00 2.00 H new ATOM 0 HD13 ILE A 30 48.776 -83.562 -5.161 1.00 2.00 H new ATOM 490 N GLN A 31 50.714 -88.089 -8.322 1.00 7.06 N ATOM 491 CA GLN A 31 50.697 -88.584 -9.700 1.00 8.67 C ATOM 492 C GLN A 31 50.135 -89.999 -9.716 1.00 10.90 C ATOM 493 O GLN A 31 49.334 -90.361 -10.577 1.00 9.63 O ATOM 494 CB GLN A 31 52.131 -88.606 -10.247 1.00 9.12 C ATOM 495 CG GLN A 31 52.148 -89.185 -11.668 1.00 10.76 C ATOM 496 CD GLN A 31 53.562 -89.126 -12.239 1.00 13.78 C ATOM 497 OE1 GLN A 31 54.538 -89.202 -11.492 1.00 14.48 O ATOM 498 NE2 GLN A 31 53.731 -89.005 -13.528 1.00 14.76 N ATOM 0 H GLN A 31 51.638 -87.839 -7.971 1.00 7.06 H new ATOM 0 HA GLN A 31 50.077 -87.933 -10.317 1.00 8.67 H new ATOM 0 HB2 GLN A 31 52.541 -87.596 -10.253 1.00 9.12 H new ATOM 0 HB3 GLN A 31 52.767 -89.204 -9.595 1.00 9.12 H new ATOM 0 HG2 GLN A 31 51.796 -90.216 -11.653 1.00 10.76 H new ATOM 0 HG3 GLN A 31 51.466 -88.624 -12.306 1.00 10.76 H new ATOM 0 HE21 GLN A 31 52.921 -88.942 -14.145 1.00 14.76 H new ATOM 0 HE22 GLN A 31 54.673 -88.973 -13.918 1.00 14.76 H new ATOM 507 N ASP A 32 50.593 -90.787 -8.770 1.00 10.93 N ATOM 508 CA ASP A 32 50.164 -92.173 -8.687 1.00 14.01 C ATOM 509 C ASP A 32 48.649 -92.254 -8.497 1.00 14.04 C ATOM 510 O ASP A 32 47.987 -93.127 -9.058 1.00 13.39 O ATOM 511 CB ASP A 32 50.845 -92.848 -7.497 1.00 18.01 C ATOM 512 CG ASP A 32 52.334 -93.025 -7.777 1.00 24.33 C ATOM 513 OD1 ASP A 32 52.707 -92.988 -8.938 1.00 26.29 O ATOM 514 OD2 ASP A 32 53.080 -93.192 -6.826 1.00 25.17 O ATOM 0 H ASP A 32 51.257 -90.500 -8.051 1.00 10.93 H new ATOM 0 HA ASP A 32 50.438 -92.676 -9.614 1.00 14.01 H new ATOM 0 HB2 ASP A 32 50.705 -92.247 -6.599 1.00 18.01 H new ATOM 0 HB3 ASP A 32 50.385 -93.818 -7.307 1.00 18.01 H new ATOM 519 N LYS A 33 48.119 -91.367 -7.656 1.00 14.22 N ATOM 520 CA LYS A 33 46.690 -91.368 -7.337 1.00 14.00 C ATOM 521 C LYS A 33 45.805 -90.655 -8.374 1.00 12.37 C ATOM 522 O LYS A 33 44.671 -91.080 -8.600 1.00 12.17 O ATOM 523 CB LYS A 33 46.457 -90.674 -5.992 1.00 18.62 C ATOM 524 CG LYS A 33 47.299 -91.328 -4.867 1.00 24.00 C ATOM 525 CD LYS A 33 46.440 -91.501 -3.603 1.00 27.61 C ATOM 526 CE LYS A 33 47.299 -91.972 -2.412 1.00 27.64 C ATOM 527 NZ LYS A 33 47.221 -93.456 -2.304 1.00 30.06 N ATOM 0 H LYS A 33 48.655 -90.639 -7.184 1.00 14.22 H new ATOM 0 HA LYS A 33 46.405 -92.420 -7.321 1.00 14.00 H new ATOM 0 HB2 LYS A 33 46.715 -89.618 -6.076 1.00 18.62 H new ATOM 0 HB3 LYS A 33 45.399 -90.724 -5.733 1.00 18.62 H new ATOM 0 HG2 LYS A 33 47.674 -92.297 -5.198 1.00 24.00 H new ATOM 0 HG3 LYS A 33 48.168 -90.709 -4.645 1.00 24.00 H new ATOM 0 HD2 LYS A 33 45.956 -90.556 -3.356 1.00 27.61 H new ATOM 0 HD3 LYS A 33 45.648 -92.225 -3.794 1.00 27.61 H new ATOM 0 HE2 LYS A 33 48.334 -91.660 -2.550 1.00 27.64 H new ATOM 0 HE3 LYS A 33 46.947 -91.510 -1.490 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 47.800 -93.777 -1.501 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 46.232 -93.742 -2.154 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 47.577 -93.887 -3.181 1.00 30.06 H new ATOM 541 N GLU A 34 46.264 -89.524 -8.924 1.00 10.11 N ATOM 542 CA GLU A 34 45.421 -88.722 -9.838 1.00 10.07 C ATOM 543 C GLU A 34 45.864 -88.683 -11.306 1.00 9.32 C ATOM 544 O GLU A 34 45.080 -88.316 -12.181 1.00 11.61 O ATOM 545 CB GLU A 34 45.360 -87.297 -9.273 1.00 14.77 C ATOM 546 CG GLU A 34 44.619 -87.328 -7.931 1.00 18.75 C ATOM 547 CD GLU A 34 43.136 -87.619 -8.146 1.00 22.28 C ATOM 548 OE1 GLU A 34 42.667 -87.418 -9.254 1.00 21.95 O ATOM 549 OE2 GLU A 34 42.492 -88.039 -7.198 1.00 25.19 O ATOM 0 H GLU A 34 47.196 -89.143 -8.760 1.00 10.11 H new ATOM 0 HA GLU A 34 44.448 -89.212 -9.872 1.00 10.07 H new ATOM 0 HB2 GLU A 34 46.367 -86.901 -9.139 1.00 14.77 H new ATOM 0 HB3 GLU A 34 44.848 -86.636 -9.972 1.00 14.77 H new ATOM 0 HG2 GLU A 34 45.055 -88.090 -7.285 1.00 18.75 H new ATOM 0 HG3 GLU A 34 44.738 -86.372 -7.421 1.00 18.75 H new ATOM 556 N GLY A 35 47.098 -89.086 -11.579 1.00 7.22 N ATOM 557 CA GLY A 35 47.592 -89.113 -12.959 1.00 6.29 C ATOM 558 C GLY A 35 48.069 -87.742 -13.453 1.00 6.93 C ATOM 559 O GLY A 35 48.324 -87.551 -14.641 1.00 7.41 O ATOM 0 H GLY A 35 47.771 -89.396 -10.878 1.00 7.22 H new ATOM 0 HA2 GLY A 35 48.414 -89.825 -13.031 1.00 6.29 H new ATOM 0 HA3 GLY A 35 46.800 -89.474 -13.615 1.00 6.29 H new ATOM 563 N ILE A 36 48.181 -86.799 -12.528 1.00 5.86 N ATOM 564 CA ILE A 36 48.624 -85.444 -12.870 1.00 6.07 C ATOM 565 C ILE A 36 50.166 -85.391 -12.889 1.00 6.36 C ATOM 566 O ILE A 36 50.786 -85.604 -11.848 1.00 6.18 O ATOM 567 CB ILE A 36 48.106 -84.461 -11.814 1.00 7.47 C ATOM 568 CG1 ILE A 36 46.582 -84.636 -11.613 1.00 8.52 C ATOM 569 CG2 ILE A 36 48.394 -83.032 -12.281 1.00 7.36 C ATOM 570 CD1 ILE A 36 46.184 -84.127 -10.223 1.00 9.49 C ATOM 0 H ILE A 36 47.974 -86.940 -11.539 1.00 5.86 H new ATOM 0 HA ILE A 36 48.236 -85.175 -13.853 1.00 6.07 H new ATOM 0 HB ILE A 36 48.609 -84.657 -10.867 1.00 7.47 H new ATOM 0 HG12 ILE A 36 46.038 -84.087 -12.382 1.00 8.52 H new ATOM 0 HG13 ILE A 36 46.309 -85.686 -11.718 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.029 -82.325 -11.536 1.00 7.36 H new ATOM 0 HG22 ILE A 36 49.468 -82.901 -12.410 1.00 7.36 H new ATOM 0 HG23 ILE A 36 47.890 -82.851 -13.230 1.00 7.36 H new ATOM 0 HD11 ILE A 36 45.110 -84.251 -10.084 1.00 9.49 H new ATOM 0 HD12 ILE A 36 46.717 -84.696 -9.461 1.00 9.49 H new ATOM 0 HD13 ILE A 36 46.442 -83.072 -10.135 1.00 9.49 H new ATOM 582 N PRO A 37 50.817 -85.130 -14.018 1.00 8.65 N ATOM 583 CA PRO A 37 52.316 -85.089 -14.055 1.00 9.18 C ATOM 584 C PRO A 37 52.915 -84.019 -13.103 1.00 9.85 C ATOM 585 O PRO A 37 52.416 -82.895 -13.049 1.00 8.51 O ATOM 586 CB PRO A 37 52.664 -84.791 -15.526 1.00 11.42 C ATOM 587 CG PRO A 37 51.420 -85.090 -16.305 1.00 9.27 C ATOM 588 CD PRO A 37 50.241 -84.866 -15.353 1.00 8.33 C ATOM 0 HA PRO A 37 52.742 -86.030 -13.707 1.00 9.18 H new ATOM 0 HB2 PRO A 37 52.966 -83.752 -15.654 1.00 11.42 H new ATOM 0 HB3 PRO A 37 53.496 -85.409 -15.864 1.00 11.42 H new ATOM 0 HG2 PRO A 37 51.343 -84.440 -17.176 1.00 9.27 H new ATOM 0 HG3 PRO A 37 51.431 -86.116 -16.673 1.00 9.27 H new ATOM 0 HD2 PRO A 37 49.852 -83.850 -15.428 1.00 8.33 H new ATOM 0 HD3 PRO A 37 49.414 -85.541 -15.573 1.00 8.33 H new ATOM 596 N PRO A 38 53.968 -84.343 -12.347 1.00 8.71 N ATOM 597 CA PRO A 38 54.614 -83.374 -11.388 1.00 9.08 C ATOM 598 C PRO A 38 55.003 -82.012 -11.998 1.00 9.28 C ATOM 599 O PRO A 38 55.004 -81.008 -11.286 1.00 6.50 O ATOM 600 CB PRO A 38 55.880 -84.103 -10.915 1.00 10.31 C ATOM 601 CG PRO A 38 55.588 -85.553 -11.089 1.00 10.81 C ATOM 602 CD PRO A 38 54.655 -85.660 -12.297 1.00 12.00 C ATOM 0 HA PRO A 38 53.907 -83.119 -10.599 1.00 9.08 H new ATOM 0 HB2 PRO A 38 56.748 -83.804 -11.502 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.103 -83.869 -9.874 1.00 10.31 H new ATOM 0 HG2 PRO A 38 56.506 -86.117 -11.255 1.00 10.81 H new ATOM 0 HG3 PRO A 38 55.117 -85.965 -10.196 1.00 10.81 H new ATOM 0 HD2 PRO A 38 55.212 -85.853 -13.214 1.00 12.00 H new ATOM 0 HD3 PRO A 38 53.942 -86.476 -12.178 1.00 12.00 H new ATOM 610 N ASP A 39 55.359 -81.960 -13.277 1.00 11.20 N ATOM 611 CA ASP A 39 55.768 -80.687 -13.882 1.00 14.96 C ATOM 612 C ASP A 39 54.590 -79.738 -14.068 1.00 13.99 C ATOM 613 O ASP A 39 54.780 -78.537 -14.261 1.00 13.75 O ATOM 614 CB ASP A 39 56.483 -80.917 -15.218 1.00 24.16 C ATOM 615 CG ASP A 39 57.850 -81.552 -14.984 1.00 31.06 C ATOM 616 OD1 ASP A 39 58.351 -81.446 -13.877 1.00 35.55 O ATOM 617 OD2 ASP A 39 58.377 -82.135 -15.918 1.00 34.22 O ATOM 0 H ASP A 39 55.375 -82.762 -13.907 1.00 11.20 H new ATOM 0 HA ASP A 39 56.465 -80.216 -13.189 1.00 14.96 H new ATOM 0 HB2 ASP A 39 55.879 -81.563 -15.855 1.00 24.16 H new ATOM 0 HB3 ASP A 39 56.600 -79.969 -15.744 1.00 24.16 H new ATOM 622 N GLN A 40 53.374 -80.272 -14.019 1.00 11.60 N ATOM 623 CA GLN A 40 52.179 -79.446 -14.196 1.00 10.76 C ATOM 624 C GLN A 40 51.542 -79.101 -12.856 1.00 8.01 C ATOM 625 O GLN A 40 50.483 -78.476 -12.804 1.00 8.96 O ATOM 626 CB GLN A 40 51.152 -80.167 -15.074 1.00 11.14 C ATOM 627 CG GLN A 40 51.720 -80.355 -16.480 1.00 14.85 C ATOM 628 CD GLN A 40 51.816 -79.015 -17.201 1.00 16.11 C ATOM 629 OE1 GLN A 40 50.815 -78.504 -17.697 1.00 20.52 O ATOM 630 NE2 GLN A 40 52.971 -78.415 -17.289 1.00 18.16 N ATOM 0 H GLN A 40 53.188 -81.262 -13.860 1.00 11.60 H new ATOM 0 HA GLN A 40 52.490 -78.522 -14.684 1.00 10.76 H new ATOM 0 HB2 GLN A 40 50.903 -81.135 -14.639 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.228 -79.590 -15.118 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.707 -80.815 -16.421 1.00 14.85 H new ATOM 0 HG3 GLN A 40 51.085 -81.035 -17.047 1.00 14.85 H new ATOM 0 HE21 GLN A 40 53.800 -78.842 -16.876 1.00 18.16 H new ATOM 0 HE22 GLN A 40 53.045 -77.519 -17.771 1.00 18.16 H new ATOM 639 N GLN A 41 52.172 -79.552 -11.775 1.00 6.52 N ATOM 640 CA GLN A 41 51.636 -79.329 -10.431 1.00 3.87 C ATOM 641 C GLN A 41 52.409 -78.288 -9.631 1.00 4.79 C ATOM 642 O GLN A 41 53.640 -78.283 -9.611 1.00 6.34 O ATOM 643 CB GLN A 41 51.695 -80.643 -9.657 1.00 4.20 C ATOM 644 CG GLN A 41 50.754 -81.656 -10.296 1.00 3.20 C ATOM 645 CD GLN A 41 50.622 -82.874 -9.394 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.651 -84.009 -9.869 1.00 5.21 O ATOM 647 NE2 GLN A 41 50.482 -82.700 -8.110 1.00 7.13 N ATOM 0 H GLN A 41 53.049 -80.071 -11.800 1.00 6.52 H new ATOM 0 HA GLN A 41 50.618 -78.961 -10.558 1.00 3.87 H new ATOM 0 HB2 GLN A 41 52.714 -81.030 -9.654 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.415 -80.477 -8.617 1.00 4.20 H new ATOM 0 HG2 GLN A 41 49.775 -81.205 -10.459 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.135 -81.954 -11.273 1.00 3.20 H new ATOM 0 HE21 GLN A 41 50.459 -81.757 -7.723 1.00 7.13 H new ATOM 0 HE22 GLN A 41 50.396 -83.507 -7.492 1.00 7.13 H new ATOM 656 N ARG A 42 51.657 -77.450 -8.916 1.00 5.73 N ATOM 657 CA ARG A 42 52.238 -76.438 -8.035 1.00 6.97 C ATOM 658 C ARG A 42 51.624 -76.612 -6.649 1.00 7.15 C ATOM 659 O ARG A 42 50.405 -76.562 -6.498 1.00 7.33 O ATOM 660 CB ARG A 42 51.958 -75.021 -8.540 1.00 13.23 C ATOM 661 CG ARG A 42 52.761 -74.762 -9.811 1.00 21.27 C ATOM 662 CD ARG A 42 52.479 -73.345 -10.314 1.00 26.14 C ATOM 663 NE ARG A 42 53.147 -73.124 -11.592 1.00 32.26 N ATOM 664 CZ ARG A 42 54.452 -72.876 -11.654 1.00 34.32 C ATOM 665 NH1 ARG A 42 54.901 -71.677 -11.405 1.00 35.30 N ATOM 666 NH2 ARG A 42 55.284 -73.833 -11.965 1.00 36.39 N ATOM 0 H ARG A 42 50.637 -77.453 -8.931 1.00 5.73 H new ATOM 0 HA ARG A 42 53.320 -76.570 -8.008 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.893 -74.899 -8.739 1.00 13.23 H new ATOM 0 HB3 ARG A 42 52.225 -74.292 -7.775 1.00 13.23 H new ATOM 0 HG2 ARG A 42 53.826 -74.883 -9.612 1.00 21.27 H new ATOM 0 HG3 ARG A 42 52.495 -75.491 -10.577 1.00 21.27 H new ATOM 0 HD2 ARG A 42 51.405 -73.198 -10.426 1.00 26.14 H new ATOM 0 HD3 ARG A 42 52.826 -72.615 -9.582 1.00 26.14 H new ATOM 0 HE ARG A 42 52.603 -73.160 -12.454 1.00 32.26 H new ATOM 0 HH11 ARG A 42 54.251 -70.929 -11.163 1.00 35.30 H new ATOM 0 HH12 ARG A 42 55.902 -71.487 -11.453 1.00 35.30 H new ATOM 0 HH21 ARG A 42 54.933 -74.771 -12.160 1.00 36.39 H new ATOM 0 HH22 ARG A 42 56.285 -73.643 -12.013 1.00 36.39 H new ATOM 680 N LEU A 43 52.462 -76.829 -5.637 1.00 4.65 N ATOM 681 CA LEU A 43 51.986 -77.025 -4.263 1.00 3.51 C ATOM 682 C LEU A 43 52.202 -75.762 -3.442 1.00 5.56 C ATOM 683 O LEU A 43 53.285 -75.178 -3.443 1.00 4.19 O ATOM 684 CB LEU A 43 52.726 -78.218 -3.642 1.00 3.74 C ATOM 685 CG LEU A 43 52.291 -79.549 -4.275 1.00 6.32 C ATOM 686 CD1 LEU A 43 53.205 -80.662 -3.749 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.833 -79.874 -3.893 1.00 6.41 C ATOM 0 H LEU A 43 53.476 -76.874 -5.740 1.00 4.65 H new ATOM 0 HA LEU A 43 50.916 -77.235 -4.272 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.800 -78.087 -3.772 1.00 3.74 H new ATOM 0 HB3 LEU A 43 52.536 -78.246 -2.569 1.00 3.74 H new ATOM 0 HG LEU A 43 52.363 -79.473 -5.360 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.909 -81.614 -4.189 1.00 9.55 H new ATOM 0 HD12 LEU A 43 54.238 -80.443 -4.019 1.00 9.55 H new ATOM 0 HD13 LEU A 43 53.119 -80.721 -2.664 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.540 -80.820 -4.349 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.750 -79.953 -2.809 1.00 6.41 H new ATOM 0 HD23 LEU A 43 50.178 -79.080 -4.251 1.00 6.41 H new ATOM 699 N ILE A 44 51.135 -75.331 -2.767 1.00 4.58 N ATOM 700 CA ILE A 44 51.170 -74.111 -1.960 1.00 5.55 C ATOM 701 C ILE A 44 50.672 -74.363 -0.541 1.00 5.46 C ATOM 702 O ILE A 44 49.667 -75.047 -0.329 1.00 6.04 O ATOM 703 CB ILE A 44 50.308 -73.047 -2.647 1.00 6.80 C ATOM 704 CG1 ILE A 44 50.779 -72.927 -4.118 1.00 10.31 C ATOM 705 CG2 ILE A 44 50.452 -71.705 -1.906 1.00 7.39 C ATOM 706 CD1 ILE A 44 50.472 -71.546 -4.696 1.00 13.90 C ATOM 0 H ILE A 44 50.234 -75.810 -2.764 1.00 4.58 H new ATOM 0 HA ILE A 44 52.201 -73.767 -1.882 1.00 5.55 H new ATOM 0 HB ILE A 44 49.255 -73.326 -2.625 1.00 6.80 H new ATOM 0 HG12 ILE A 44 51.851 -73.115 -4.174 1.00 10.31 H new ATOM 0 HG13 ILE A 44 50.289 -73.692 -4.721 1.00 10.31 H new ATOM 0 HG21 ILE A 44 49.838 -70.950 -2.397 1.00 7.39 H new ATOM 0 HG22 ILE A 44 50.125 -71.823 -0.873 1.00 7.39 H new ATOM 0 HG23 ILE A 44 51.495 -71.390 -1.923 1.00 7.39 H new ATOM 0 HD11 ILE A 44 50.817 -71.499 -5.729 1.00 13.90 H new ATOM 0 HD12 ILE A 44 49.397 -71.369 -4.664 1.00 13.90 H new ATOM 0 HD13 ILE A 44 50.983 -70.784 -4.108 1.00 13.90 H new ATOM 718 N PHE A 45 51.382 -73.779 0.426 1.00 6.75 N ATOM 719 CA PHE A 45 51.023 -73.903 1.837 1.00 4.70 C ATOM 720 C PHE A 45 51.204 -72.563 2.540 1.00 6.34 C ATOM 721 O PHE A 45 52.255 -71.931 2.437 1.00 5.45 O ATOM 722 CB PHE A 45 51.879 -74.971 2.523 1.00 5.51 C ATOM 723 CG PHE A 45 51.591 -74.971 4.007 1.00 5.98 C ATOM 724 CD1 PHE A 45 50.562 -75.766 4.522 1.00 5.87 C ATOM 725 CD2 PHE A 45 52.353 -74.169 4.865 1.00 6.86 C ATOM 726 CE1 PHE A 45 50.293 -75.761 5.896 1.00 6.64 C ATOM 727 CE2 PHE A 45 52.085 -74.163 6.239 1.00 6.68 C ATOM 728 CZ PHE A 45 51.055 -74.959 6.755 1.00 6.84 C ATOM 0 H PHE A 45 52.213 -73.213 0.255 1.00 6.75 H new ATOM 0 HA PHE A 45 49.978 -74.205 1.901 1.00 4.70 H new ATOM 0 HB2 PHE A 45 51.663 -75.952 2.100 1.00 5.51 H new ATOM 0 HB3 PHE A 45 52.936 -74.773 2.347 1.00 5.51 H new ATOM 0 HD1 PHE A 45 49.975 -76.384 3.859 1.00 5.87 H new ATOM 0 HD2 PHE A 45 53.147 -73.555 4.467 1.00 6.86 H new ATOM 0 HE1 PHE A 45 49.498 -76.375 6.293 1.00 6.64 H new ATOM 0 HE2 PHE A 45 52.673 -73.544 6.901 1.00 6.68 H new ATOM 0 HZ PHE A 45 50.848 -74.955 7.815 1.00 6.84 H new ATOM 738 N ALA A 46 50.178 -72.149 3.267 1.00 6.53 N ATOM 739 CA ALA A 46 50.219 -70.898 4.006 1.00 7.15 C ATOM 740 C ALA A 46 50.676 -69.735 3.131 1.00 9.00 C ATOM 741 O ALA A 46 51.401 -68.848 3.582 1.00 11.15 O ATOM 742 CB ALA A 46 51.125 -71.058 5.230 1.00 8.99 C ATOM 0 H ALA A 46 49.303 -72.664 3.361 1.00 6.53 H new ATOM 0 HA ALA A 46 49.208 -70.660 4.337 1.00 7.15 H new ATOM 0 HB1 ALA A 46 51.156 -70.120 5.785 1.00 8.99 H new ATOM 0 HB2 ALA A 46 50.733 -71.847 5.872 1.00 8.99 H new ATOM 0 HB3 ALA A 46 52.132 -71.321 4.906 1.00 8.99 H new ATOM 748 N GLY A 47 50.193 -69.721 1.888 1.00 9.35 N ATOM 749 CA GLY A 47 50.501 -68.628 0.972 1.00 11.68 C ATOM 750 C GLY A 47 51.877 -68.733 0.315 1.00 11.14 C ATOM 751 O GLY A 47 52.253 -67.841 -0.447 1.00 13.93 O ATOM 0 H GLY A 47 49.593 -70.448 1.497 1.00 9.35 H new ATOM 0 HA2 GLY A 47 49.740 -68.596 0.193 1.00 11.68 H new ATOM 0 HA3 GLY A 47 50.441 -67.685 1.515 1.00 11.68 H new ATOM 755 N LYS A 48 52.651 -69.786 0.613 1.00 10.47 N ATOM 756 CA LYS A 48 53.999 -69.925 0.037 1.00 8.82 C ATOM 757 C LYS A 48 54.090 -71.116 -0.918 1.00 7.68 C ATOM 758 O LYS A 48 53.572 -72.195 -0.630 1.00 6.47 O ATOM 759 CB LYS A 48 55.027 -70.126 1.156 1.00 9.74 C ATOM 760 CG LYS A 48 54.835 -69.063 2.245 1.00 14.14 C ATOM 761 CD LYS A 48 55.689 -69.412 3.468 1.00 16.32 C ATOM 762 CE LYS A 48 57.168 -69.473 3.079 1.00 20.04 C ATOM 763 NZ LYS A 48 57.484 -68.374 2.122 1.00 23.92 N ATOM 0 H LYS A 48 52.375 -70.543 1.238 1.00 10.47 H new ATOM 0 HA LYS A 48 54.207 -69.011 -0.520 1.00 8.82 H new ATOM 0 HB2 LYS A 48 54.918 -71.122 1.586 1.00 9.74 H new ATOM 0 HB3 LYS A 48 56.036 -70.063 0.749 1.00 9.74 H new ATOM 0 HG2 LYS A 48 55.116 -68.082 1.862 1.00 14.14 H new ATOM 0 HG3 LYS A 48 53.784 -69.005 2.528 1.00 14.14 H new ATOM 0 HD2 LYS A 48 55.541 -68.666 4.249 1.00 16.32 H new ATOM 0 HD3 LYS A 48 55.374 -70.371 3.879 1.00 16.32 H new ATOM 0 HE2 LYS A 48 57.791 -69.384 3.969 1.00 20.04 H new ATOM 0 HE3 LYS A 48 57.395 -70.438 2.626 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 58.499 -68.154 2.169 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 57.239 -68.673 1.157 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 56.934 -67.527 2.372 1.00 23.92 H new ATOM 777 N GLN A 49 54.775 -70.916 -2.044 1.00 8.89 N ATOM 778 CA GLN A 49 54.954 -71.992 -3.019 1.00 7.18 C ATOM 779 C GLN A 49 56.059 -72.925 -2.515 1.00 8.23 C ATOM 780 O GLN A 49 57.148 -72.470 -2.164 1.00 9.70 O ATOM 781 CB GLN A 49 55.322 -71.385 -4.376 1.00 11.67 C ATOM 782 CG GLN A 49 55.134 -72.421 -5.489 1.00 15.82 C ATOM 783 CD GLN A 49 55.293 -71.756 -6.851 1.00 20.21 C ATOM 784 OE1 GLN A 49 55.348 -72.438 -7.874 1.00 23.23 O ATOM 785 NE2 GLN A 49 55.382 -70.456 -6.924 1.00 20.67 N ATOM 0 H GLN A 49 55.210 -70.030 -2.302 1.00 8.89 H new ATOM 0 HA GLN A 49 54.034 -72.565 -3.139 1.00 7.18 H new ATOM 0 HB2 GLN A 49 54.699 -70.512 -4.573 1.00 11.67 H new ATOM 0 HB3 GLN A 49 56.356 -71.041 -4.360 1.00 11.67 H new ATOM 0 HG2 GLN A 49 55.865 -73.222 -5.379 1.00 15.82 H new ATOM 0 HG3 GLN A 49 54.147 -72.877 -5.410 1.00 15.82 H new ATOM 0 HE21 GLN A 49 55.336 -69.893 -6.075 1.00 20.67 H new ATOM 0 HE22 GLN A 49 55.497 -70.003 -7.830 1.00 20.67 H new ATOM 794 N LEU A 50 55.775 -74.228 -2.469 1.00 6.51 N ATOM 795 CA LEU A 50 56.757 -75.206 -1.991 1.00 7.41 C ATOM 796 C LEU A 50 57.671 -75.677 -3.126 1.00 8.27 C ATOM 797 O LEU A 50 57.213 -75.933 -4.240 1.00 8.34 O ATOM 798 CB LEU A 50 56.034 -76.412 -1.385 1.00 7.13 C ATOM 799 CG LEU A 50 55.009 -75.939 -0.350 1.00 7.53 C ATOM 800 CD1 LEU A 50 54.236 -77.148 0.187 1.00 8.14 C ATOM 801 CD2 LEU A 50 55.720 -75.224 0.807 1.00 9.11 C ATOM 0 H LEU A 50 54.881 -74.629 -2.754 1.00 6.51 H new ATOM 0 HA LEU A 50 57.373 -74.722 -1.233 1.00 7.41 H new ATOM 0 HB2 LEU A 50 55.535 -76.980 -2.170 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.755 -77.081 -0.916 1.00 7.13 H new ATOM 0 HG LEU A 50 54.317 -75.242 -0.822 1.00 7.53 H new ATOM 0 HD11 LEU A 50 53.505 -76.815 0.924 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.721 -77.645 -0.635 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.931 -77.846 0.655 1.00 8.14 H new ATOM 0 HD21 LEU A 50 54.982 -74.892 1.537 1.00 9.11 H new ATOM 0 HD22 LEU A 50 56.419 -75.911 1.284 1.00 9.11 H new ATOM 0 HD23 LEU A 50 56.264 -74.361 0.422 1.00 9.11 H new ATOM 813 N GLU A 51 58.977 -75.768 -2.833 1.00 9.43 N ATOM 814 CA GLU A 51 59.960 -76.186 -3.846 1.00 11.90 C ATOM 815 C GLU A 51 60.216 -77.697 -3.825 1.00 11.49 C ATOM 816 O GLU A 51 60.062 -78.357 -2.799 1.00 9.88 O ATOM 817 CB GLU A 51 61.276 -75.432 -3.647 1.00 16.56 C ATOM 818 CG GLU A 51 61.076 -73.963 -4.025 1.00 26.06 C ATOM 819 CD GLU A 51 62.377 -73.190 -3.834 1.00 29.86 C ATOM 820 OE1 GLU A 51 63.254 -73.701 -3.159 1.00 32.13 O ATOM 821 OE2 GLU A 51 62.476 -72.097 -4.368 1.00 33.44 O ATOM 0 H GLU A 51 59.374 -75.561 -1.916 1.00 9.43 H new ATOM 0 HA GLU A 51 59.539 -75.941 -4.821 1.00 11.90 H new ATOM 0 HB2 GLU A 51 61.602 -75.512 -2.610 1.00 16.56 H new ATOM 0 HB3 GLU A 51 62.059 -75.875 -4.262 1.00 16.56 H new ATOM 0 HG2 GLU A 51 60.748 -73.888 -5.062 1.00 26.06 H new ATOM 0 HG3 GLU A 51 60.290 -73.525 -3.410 1.00 26.06 H new ATOM 828 N ASP A 52 60.569 -78.228 -5.001 1.00 12.71 N ATOM 829 CA ASP A 52 60.802 -79.668 -5.154 1.00 16.56 C ATOM 830 C ASP A 52 62.058 -80.166 -4.422 1.00 15.83 C ATOM 831 O ASP A 52 62.184 -81.363 -4.165 1.00 17.21 O ATOM 832 CB ASP A 52 60.908 -80.007 -6.642 1.00 21.05 C ATOM 833 CG ASP A 52 59.544 -79.858 -7.299 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.614 -79.498 -6.599 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.448 -80.107 -8.490 1.00 25.82 O ATOM 0 H ASP A 52 60.699 -77.686 -5.855 1.00 12.71 H new ATOM 0 HA ASP A 52 59.953 -80.177 -4.697 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.629 -79.348 -7.125 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.274 -81.026 -6.768 1.00 21.05 H new ATOM 840 N GLY A 53 62.988 -79.273 -4.098 1.00 15.00 N ATOM 841 CA GLY A 53 64.227 -79.680 -3.411 1.00 11.77 C ATOM 842 C GLY A 53 64.136 -79.554 -1.884 1.00 11.10 C ATOM 843 O GLY A 53 65.118 -79.811 -1.187 1.00 11.25 O ATOM 0 H GLY A 53 62.917 -78.274 -4.293 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.458 -80.713 -3.672 1.00 11.77 H new ATOM 0 HA3 GLY A 53 65.054 -79.068 -3.772 1.00 11.77 H new ATOM 847 N ARG A 54 62.976 -79.170 -1.362 1.00 8.53 N ATOM 848 CA ARG A 54 62.807 -79.032 0.101 1.00 9.05 C ATOM 849 C ARG A 54 61.883 -80.128 0.668 1.00 8.96 C ATOM 850 O ARG A 54 61.164 -80.799 -0.081 1.00 11.60 O ATOM 851 CB ARG A 54 62.203 -77.665 0.410 1.00 7.97 C ATOM 852 CG ARG A 54 63.107 -76.508 -0.049 1.00 9.62 C ATOM 853 CD ARG A 54 64.494 -76.582 0.597 1.00 12.20 C ATOM 854 NE ARG A 54 65.177 -75.304 0.438 1.00 18.23 N ATOM 855 CZ ARG A 54 66.324 -75.052 1.060 1.00 22.08 C ATOM 856 NH1 ARG A 54 66.844 -75.943 1.859 1.00 25.50 N ATOM 857 NH2 ARG A 54 66.931 -73.914 0.870 1.00 23.38 N ATOM 0 H ARG A 54 62.144 -78.949 -1.910 1.00 8.53 H new ATOM 0 HA ARG A 54 63.787 -79.134 0.567 1.00 9.05 H new ATOM 0 HB2 ARG A 54 61.233 -77.580 -0.079 1.00 7.97 H new ATOM 0 HB3 ARG A 54 62.028 -77.582 1.483 1.00 7.97 H new ATOM 0 HG2 ARG A 54 63.209 -76.534 -1.134 1.00 9.62 H new ATOM 0 HG3 ARG A 54 62.638 -75.557 0.204 1.00 9.62 H new ATOM 0 HD2 ARG A 54 64.401 -76.827 1.655 1.00 12.20 H new ATOM 0 HD3 ARG A 54 65.079 -77.378 0.136 1.00 12.20 H new ATOM 0 HE ARG A 54 64.766 -74.589 -0.163 1.00 18.23 H new ATOM 0 HH11 ARG A 54 66.370 -76.834 2.007 1.00 25.50 H new ATOM 0 HH12 ARG A 54 67.724 -75.748 2.336 1.00 25.50 H new ATOM 0 HH21 ARG A 54 66.525 -73.218 0.244 1.00 23.38 H new ATOM 0 HH22 ARG A 54 67.811 -73.720 1.347 1.00 23.38 H new ATOM 871 N THR A 55 61.908 -80.303 2.010 1.00 9.05 N ATOM 872 CA THR A 55 61.066 -81.317 2.683 1.00 9.03 C ATOM 873 C THR A 55 59.900 -80.681 3.444 1.00 8.15 C ATOM 874 O THR A 55 59.869 -79.476 3.686 1.00 5.91 O ATOM 875 CB THR A 55 61.857 -82.126 3.716 1.00 11.15 C ATOM 876 OG1 THR A 55 62.268 -81.273 4.776 1.00 11.95 O ATOM 877 CG2 THR A 55 63.087 -82.759 3.065 1.00 11.71 C ATOM 0 H THR A 55 62.497 -79.760 2.642 1.00 9.05 H new ATOM 0 HA THR A 55 60.703 -81.959 1.880 1.00 9.03 H new ATOM 0 HB THR A 55 61.218 -82.917 4.108 1.00 11.15 H new ATOM 0 HG1 THR A 55 62.772 -81.792 5.437 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.640 -83.331 3.811 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.772 -83.422 2.260 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.728 -81.976 2.660 1.00 11.71 H new ATOM 885 N LEU A 56 58.955 -81.544 3.844 1.00 6.91 N ATOM 886 CA LEU A 56 57.786 -81.099 4.617 1.00 8.29 C ATOM 887 C LEU A 56 58.218 -80.456 5.937 1.00 8.05 C ATOM 888 O LEU A 56 57.667 -79.429 6.333 1.00 10.17 O ATOM 889 CB LEU A 56 56.856 -82.282 4.941 1.00 6.60 C ATOM 890 CG LEU A 56 56.321 -82.937 3.663 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.557 -84.208 4.042 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.367 -81.984 2.933 1.00 8.64 C ATOM 0 H LEU A 56 58.976 -82.545 3.648 1.00 6.91 H new ATOM 0 HA LEU A 56 57.256 -80.370 4.004 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.397 -83.021 5.532 1.00 6.60 H new ATOM 0 HB3 LEU A 56 56.022 -81.935 5.551 1.00 6.60 H new ATOM 0 HG LEU A 56 57.158 -83.174 3.007 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.171 -84.683 3.140 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.228 -84.896 4.556 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.727 -83.951 4.700 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.996 -82.464 2.027 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.528 -81.740 3.584 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.898 -81.070 2.667 1.00 8.64 H new ATOM 904 N SER A 57 59.184 -81.067 6.638 1.00 8.92 N ATOM 905 CA SER A 57 59.617 -80.513 7.921 1.00 9.00 C ATOM 906 C SER A 57 60.171 -79.099 7.774 1.00 9.44 C ATOM 907 O SER A 57 60.041 -78.281 8.685 1.00 10.91 O ATOM 908 CB SER A 57 60.647 -81.405 8.616 1.00 10.32 C ATOM 909 OG SER A 57 60.061 -82.651 8.947 1.00 13.59 O ATOM 0 H SER A 57 59.665 -81.918 6.347 1.00 8.92 H new ATOM 0 HA SER A 57 58.725 -80.471 8.546 1.00 9.00 H new ATOM 0 HB2 SER A 57 61.506 -81.559 7.963 1.00 10.32 H new ATOM 0 HB3 SER A 57 61.015 -80.916 9.518 1.00 10.32 H new ATOM 0 HG SER A 57 60.590 -83.085 9.648 1.00 13.59 H new ATOM 915 N ASP A 58 60.789 -78.813 6.645 1.00 9.11 N ATOM 916 CA ASP A 58 61.354 -77.488 6.427 1.00 7.91 C ATOM 917 C ASP A 58 60.264 -76.419 6.470 1.00 9.12 C ATOM 918 O ASP A 58 60.530 -75.268 6.815 1.00 8.61 O ATOM 919 CB ASP A 58 62.070 -77.444 5.074 1.00 8.41 C ATOM 920 CG ASP A 58 63.339 -78.288 5.124 1.00 11.50 C ATOM 921 OD1 ASP A 58 63.813 -78.546 6.218 1.00 10.05 O ATOM 922 OD2 ASP A 58 63.819 -78.662 4.067 1.00 11.70 O ATOM 0 H ASP A 58 60.914 -79.467 5.872 1.00 9.11 H new ATOM 0 HA ASP A 58 62.070 -77.284 7.224 1.00 7.91 H new ATOM 0 HB2 ASP A 58 61.408 -77.815 4.291 1.00 8.41 H new ATOM 0 HB3 ASP A 58 62.319 -76.414 4.819 1.00 8.41 H new ATOM 927 N TYR A 59 59.032 -76.801 6.117 1.00 7.97 N ATOM 928 CA TYR A 59 57.909 -75.854 6.120 1.00 8.45 C ATOM 929 C TYR A 59 57.046 -75.998 7.372 1.00 10.98 C ATOM 930 O TYR A 59 55.928 -75.486 7.423 1.00 12.95 O ATOM 931 CB TYR A 59 57.018 -76.065 4.898 1.00 7.94 C ATOM 932 CG TYR A 59 57.756 -75.633 3.661 1.00 6.91 C ATOM 933 CD1 TYR A 59 57.809 -74.279 3.311 1.00 4.59 C ATOM 934 CD2 TYR A 59 58.389 -76.587 2.864 1.00 6.98 C ATOM 935 CE1 TYR A 59 58.498 -73.882 2.159 1.00 5.39 C ATOM 936 CE2 TYR A 59 59.074 -76.193 1.717 1.00 6.52 C ATOM 937 CZ TYR A 59 59.130 -74.841 1.361 1.00 6.76 C ATOM 938 OH TYR A 59 59.811 -74.454 0.225 1.00 7.63 O ATOM 0 H TYR A 59 58.787 -77.748 5.828 1.00 7.97 H new ATOM 0 HA TYR A 59 58.346 -74.856 6.100 1.00 8.45 H new ATOM 0 HB2 TYR A 59 56.735 -77.114 4.818 1.00 7.94 H new ATOM 0 HB3 TYR A 59 56.096 -75.493 5.003 1.00 7.94 H new ATOM 0 HD1 TYR A 59 57.319 -73.541 3.929 1.00 4.59 H new ATOM 0 HD2 TYR A 59 58.348 -77.631 3.136 1.00 6.98 H new ATOM 0 HE1 TYR A 59 58.541 -72.838 1.887 1.00 5.39 H new ATOM 0 HE2 TYR A 59 59.563 -76.933 1.101 1.00 6.52 H new ATOM 0 HH TYR A 59 60.385 -75.188 -0.079 1.00 7.63 H new ATOM 948 N ASN A 60 57.567 -76.696 8.385 1.00 12.38 N ATOM 949 CA ASN A 60 56.850 -76.910 9.638 1.00 13.94 C ATOM 950 C ASN A 60 55.430 -77.426 9.400 1.00 14.16 C ATOM 951 O ASN A 60 54.495 -77.045 10.103 1.00 14.26 O ATOM 952 CB ASN A 60 56.813 -75.611 10.449 1.00 19.23 C ATOM 953 CG ASN A 60 56.066 -75.814 11.764 1.00 22.65 C ATOM 954 OD1 ASN A 60 54.895 -75.453 11.875 1.00 25.45 O ATOM 955 ND2 ASN A 60 56.677 -76.374 12.772 1.00 24.09 N ATOM 0 H ASN A 60 58.492 -77.125 8.357 1.00 12.38 H new ATOM 0 HA ASN A 60 57.386 -77.674 10.201 1.00 13.94 H new ATOM 0 HB2 ASN A 60 57.830 -75.274 10.651 1.00 19.23 H new ATOM 0 HB3 ASN A 60 56.328 -74.827 9.867 1.00 19.23 H new ATOM 0 HD21 ASN A 60 56.184 -76.513 13.654 1.00 24.09 H new ATOM 0 HD22 ASN A 60 57.648 -76.673 12.678 1.00 24.09 H new ATOM 962 N ILE A 61 55.279 -78.319 8.425 1.00 11.08 N ATOM 963 CA ILE A 61 53.969 -78.903 8.140 1.00 11.78 C ATOM 964 C ILE A 61 53.735 -80.036 9.137 1.00 13.74 C ATOM 965 O ILE A 61 54.552 -80.950 9.254 1.00 14.60 O ATOM 966 CB ILE A 61 53.925 -79.377 6.679 1.00 11.80 C ATOM 967 CG1 ILE A 61 54.004 -78.146 5.773 1.00 11.56 C ATOM 968 CG2 ILE A 61 52.620 -80.123 6.396 1.00 13.29 C ATOM 969 CD1 ILE A 61 54.195 -78.568 4.313 1.00 11.42 C ATOM 0 H ILE A 61 56.035 -78.651 7.826 1.00 11.08 H new ATOM 0 HA ILE A 61 53.168 -78.173 8.256 1.00 11.78 H new ATOM 0 HB ILE A 61 54.760 -80.052 6.491 1.00 11.80 H new ATOM 0 HG12 ILE A 61 53.093 -77.555 5.871 1.00 11.56 H new ATOM 0 HG13 ILE A 61 54.832 -77.509 6.085 1.00 11.56 H new ATOM 0 HG21 ILE A 61 52.607 -80.451 5.357 1.00 13.29 H new ATOM 0 HG22 ILE A 61 52.547 -80.991 7.052 1.00 13.29 H new ATOM 0 HG23 ILE A 61 51.775 -79.459 6.578 1.00 13.29 H new ATOM 0 HD11 ILE A 61 54.249 -77.681 3.682 1.00 11.42 H new ATOM 0 HD12 ILE A 61 55.119 -79.139 4.217 1.00 11.42 H new ATOM 0 HD13 ILE A 61 53.353 -79.185 4.000 1.00 11.42 H new ATOM 981 N GLN A 62 52.633 -79.942 9.895 1.00 13.97 N ATOM 982 CA GLN A 62 52.302 -80.924 10.937 1.00 15.52 C ATOM 983 C GLN A 62 51.121 -81.815 10.541 1.00 13.94 C ATOM 984 O GLN A 62 50.446 -81.576 9.539 1.00 12.15 O ATOM 985 CB GLN A 62 51.965 -80.160 12.219 1.00 19.53 C ATOM 986 CG GLN A 62 53.238 -79.526 12.784 1.00 26.38 C ATOM 987 CD GLN A 62 52.898 -78.671 14.000 1.00 30.61 C ATOM 988 OE1 GLN A 62 51.858 -78.013 14.027 1.00 33.23 O ATOM 989 NE2 GLN A 62 53.718 -78.643 15.016 1.00 32.71 N ATOM 0 H GLN A 62 51.951 -79.189 9.804 1.00 13.97 H new ATOM 0 HA GLN A 62 53.160 -81.580 11.082 1.00 15.52 H new ATOM 0 HB2 GLN A 62 51.223 -79.389 12.011 1.00 19.53 H new ATOM 0 HB3 GLN A 62 51.526 -80.836 12.953 1.00 19.53 H new ATOM 0 HG2 GLN A 62 53.949 -80.304 13.063 1.00 26.38 H new ATOM 0 HG3 GLN A 62 53.719 -78.914 12.021 1.00 26.38 H new ATOM 0 HE21 GLN A 62 54.579 -79.189 14.992 1.00 32.71 H new ATOM 0 HE22 GLN A 62 53.497 -78.075 15.834 1.00 32.71 H new ATOM 998 N LYS A 63 50.912 -82.863 11.338 1.00 11.73 N ATOM 999 CA LYS A 63 49.831 -83.802 11.040 1.00 11.97 C ATOM 1000 C LYS A 63 48.501 -83.081 10.830 1.00 10.41 C ATOM 1001 O LYS A 63 48.194 -82.098 11.505 1.00 9.59 O ATOM 1002 CB LYS A 63 49.642 -84.852 12.138 1.00 13.73 C ATOM 1003 CG LYS A 63 49.325 -84.148 13.460 1.00 16.98 C ATOM 1004 CD LYS A 63 49.346 -85.165 14.603 1.00 20.19 C ATOM 1005 CE LYS A 63 48.790 -84.517 15.872 1.00 23.42 C ATOM 1006 NZ LYS A 63 49.039 -85.412 17.037 1.00 25.97 N ATOM 0 H LYS A 63 51.459 -83.080 12.171 1.00 11.73 H new ATOM 0 HA LYS A 63 50.130 -84.305 10.120 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.833 -85.532 11.872 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.544 -85.455 12.241 1.00 13.73 H new ATOM 0 HG2 LYS A 63 50.054 -83.360 13.648 1.00 16.98 H new ATOM 0 HG3 LYS A 63 48.347 -83.670 13.403 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.751 -86.039 14.337 1.00 20.19 H new ATOM 0 HD3 LYS A 63 50.364 -85.513 14.776 1.00 20.19 H new ATOM 0 HE2 LYS A 63 49.263 -83.549 16.036 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.721 -84.335 15.762 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 48.661 -84.972 17.900 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 48.568 -86.326 16.880 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 50.062 -85.564 17.145 1.00 25.97 H new ATOM 1020 N GLU A 64 47.730 -83.585 9.867 1.00 10.04 N ATOM 1021 CA GLU A 64 46.428 -83.016 9.511 1.00 10.94 C ATOM 1022 C GLU A 64 46.549 -81.632 8.887 1.00 9.74 C ATOM 1023 O GLU A 64 45.577 -80.878 8.857 1.00 9.42 O ATOM 1024 CB GLU A 64 45.440 -82.945 10.682 1.00 18.31 C ATOM 1025 CG GLU A 64 45.169 -84.368 11.180 1.00 24.16 C ATOM 1026 CD GLU A 64 44.272 -85.114 10.199 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.596 -84.454 9.427 1.00 31.72 O ATOM 1028 OE2 GLU A 64 44.276 -86.333 10.233 1.00 32.61 O ATOM 0 H GLU A 64 47.989 -84.400 9.311 1.00 10.04 H new ATOM 0 HA GLU A 64 46.029 -83.714 8.776 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.850 -82.334 11.486 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.511 -82.472 10.365 1.00 18.31 H new ATOM 0 HG2 GLU A 64 46.111 -84.903 11.300 1.00 24.16 H new ATOM 0 HG3 GLU A 64 44.695 -84.332 12.161 1.00 24.16 H new ATOM 1035 N SER A 65 47.706 -81.324 8.320 1.00 6.85 N ATOM 1036 CA SER A 65 47.898 -80.063 7.620 1.00 6.90 C ATOM 1037 C SER A 65 47.249 -80.182 6.250 1.00 4.72 C ATOM 1038 O SER A 65 47.210 -81.265 5.665 1.00 3.91 O ATOM 1039 CB SER A 65 49.386 -79.764 7.473 1.00 7.28 C ATOM 1040 OG SER A 65 49.926 -79.403 8.736 1.00 10.56 O ATOM 0 H SER A 65 48.526 -81.930 8.331 1.00 6.85 H new ATOM 0 HA SER A 65 47.444 -79.247 8.182 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.906 -80.638 7.080 1.00 7.28 H new ATOM 0 HB3 SER A 65 49.536 -78.956 6.757 1.00 7.28 H new ATOM 0 HG SER A 65 50.007 -80.202 9.298 1.00 10.56 H new ATOM 1046 N THR A 66 46.744 -79.059 5.731 1.00 4.48 N ATOM 1047 CA THR A 66 46.102 -79.042 4.416 1.00 3.80 C ATOM 1048 C THR A 66 46.974 -78.275 3.421 1.00 4.60 C ATOM 1049 O THR A 66 47.327 -77.117 3.643 1.00 5.33 O ATOM 1050 CB THR A 66 44.727 -78.372 4.501 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.905 -79.094 5.407 1.00 2.15 O ATOM 1052 CG2 THR A 66 44.072 -78.365 3.117 1.00 3.40 C ATOM 0 H THR A 66 46.768 -78.154 6.200 1.00 4.48 H new ATOM 0 HA THR A 66 45.978 -80.071 4.079 1.00 3.80 H new ATOM 0 HB THR A 66 44.846 -77.347 4.851 1.00 2.85 H new ATOM 0 HG1 THR A 66 43.026 -78.665 5.464 1.00 2.15 H new ATOM 0 HG21 THR A 66 43.094 -77.888 3.180 1.00 3.40 H new ATOM 0 HG22 THR A 66 44.701 -77.812 2.419 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.954 -79.390 2.765 1.00 3.40 H new ATOM 1060 N LEU A 67 47.279 -78.934 2.307 1.00 4.17 N ATOM 1061 CA LEU A 67 48.069 -78.348 1.225 1.00 3.85 C ATOM 1062 C LEU A 67 47.110 -77.992 0.096 1.00 3.80 C ATOM 1063 O LEU A 67 46.014 -78.538 -0.003 1.00 5.54 O ATOM 1064 CB LEU A 67 49.106 -79.375 0.725 1.00 7.18 C ATOM 1065 CG LEU A 67 50.427 -79.229 1.483 1.00 9.67 C ATOM 1066 CD1 LEU A 67 50.200 -79.400 2.986 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.418 -80.288 0.989 1.00 11.66 C ATOM 0 H LEU A 67 46.985 -79.894 2.127 1.00 4.17 H new ATOM 0 HA LEU A 67 48.599 -77.461 1.571 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.716 -80.385 0.856 1.00 7.18 H new ATOM 0 HB3 LEU A 67 49.277 -79.235 -0.342 1.00 7.18 H new ATOM 0 HG LEU A 67 50.831 -78.233 1.300 1.00 9.67 H new ATOM 0 HD11 LEU A 67 51.149 -79.293 3.512 1.00 8.12 H new ATOM 0 HD12 LEU A 67 49.503 -78.639 3.338 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.786 -80.389 3.181 1.00 8.12 H new ATOM 0 HD21 LEU A 67 52.360 -80.185 1.528 1.00 11.66 H new ATOM 0 HD22 LEU A 67 51.006 -81.282 1.165 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.594 -80.152 -0.078 1.00 11.66 H new ATOM 1079 N HIS A 68 47.544 -77.067 -0.762 1.00 2.94 N ATOM 1080 CA HIS A 68 46.741 -76.636 -1.903 1.00 4.17 C ATOM 1081 C HIS A 68 47.462 -77.006 -3.195 1.00 5.32 C ATOM 1082 O HIS A 68 48.654 -76.733 -3.347 1.00 7.70 O ATOM 1083 CB HIS A 68 46.534 -75.120 -1.859 1.00 5.57 C ATOM 1084 CG HIS A 68 45.698 -74.749 -0.667 1.00 9.95 C ATOM 1085 ND1 HIS A 68 46.265 -74.448 0.560 1.00 13.74 N ATOM 1086 CD2 HIS A 68 44.342 -74.617 -0.497 1.00 12.79 C ATOM 1087 CE1 HIS A 68 45.266 -74.151 1.407 1.00 14.75 C ATOM 1088 NE2 HIS A 68 44.071 -74.239 0.816 1.00 16.30 N ATOM 0 H HIS A 68 48.449 -76.602 -0.686 1.00 2.94 H new ATOM 0 HA HIS A 68 45.771 -77.131 -1.862 1.00 4.17 H new ATOM 0 HB2 HIS A 68 47.498 -74.614 -1.808 1.00 5.57 H new ATOM 0 HB3 HIS A 68 46.046 -74.785 -2.774 1.00 5.57 H new ATOM 0 HD2 HIS A 68 43.599 -74.781 -1.264 1.00 12.79 H new ATOM 0 HE1 HIS A 68 45.411 -73.874 2.441 1.00 14.75 H new ATOM 0 HE2 HIS A 68 43.157 -74.067 1.236 1.00 16.30 H new ATOM 1096 N LEU A 69 46.737 -77.625 -4.128 1.00 5.29 N ATOM 1097 CA LEU A 69 47.313 -78.031 -5.412 1.00 3.97 C ATOM 1098 C LEU A 69 46.782 -77.129 -6.514 1.00 5.07 C ATOM 1099 O LEU A 69 45.578 -76.889 -6.612 1.00 4.34 O ATOM 1100 CB LEU A 69 46.939 -79.490 -5.734 1.00 6.08 C ATOM 1101 CG LEU A 69 47.341 -79.894 -7.162 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.851 -79.758 -7.362 1.00 6.87 C ATOM 1103 CD2 LEU A 69 46.939 -81.354 -7.390 1.00 9.96 C ATOM 0 H LEU A 69 45.750 -77.856 -4.019 1.00 5.29 H new ATOM 0 HA LEU A 69 48.398 -77.947 -5.349 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.427 -80.154 -5.020 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.864 -79.623 -5.610 1.00 6.08 H new ATOM 0 HG LEU A 69 46.835 -79.238 -7.870 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.111 -80.049 -8.380 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.149 -78.723 -7.194 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.371 -80.405 -6.655 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.218 -81.655 -8.400 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.451 -81.989 -6.667 1.00 9.96 H new ATOM 0 HD23 LEU A 69 45.861 -81.458 -7.265 1.00 9.96 H new ATOM 1115 N VAL A 70 47.697 -76.645 -7.363 1.00 4.29 N ATOM 1116 CA VAL A 70 47.367 -75.784 -8.493 1.00 6.26 C ATOM 1117 C VAL A 70 47.830 -76.481 -9.766 1.00 9.22 C ATOM 1118 O VAL A 70 48.899 -77.091 -9.814 1.00 9.36 O ATOM 1119 CB VAL A 70 48.066 -74.433 -8.293 1.00 8.69 C ATOM 1120 CG1 VAL A 70 48.362 -73.741 -9.632 1.00 9.76 C ATOM 1121 CG2 VAL A 70 47.204 -73.512 -7.441 1.00 8.54 C ATOM 0 H VAL A 70 48.694 -76.845 -7.280 1.00 4.29 H new ATOM 0 HA VAL A 70 46.295 -75.602 -8.569 1.00 6.26 H new ATOM 0 HB VAL A 70 49.011 -74.632 -7.789 1.00 8.69 H new ATOM 0 HG11 VAL A 70 48.857 -72.788 -9.447 1.00 9.76 H new ATOM 0 HG12 VAL A 70 49.011 -74.376 -10.234 1.00 9.76 H new ATOM 0 HG13 VAL A 70 47.428 -73.567 -10.166 1.00 9.76 H new ATOM 0 HG21 VAL A 70 47.713 -72.557 -7.308 1.00 8.54 H new ATOM 0 HG22 VAL A 70 46.247 -73.347 -7.937 1.00 8.54 H new ATOM 0 HG23 VAL A 70 47.033 -73.971 -6.467 1.00 8.54 H new ATOM 1131 N LEU A 71 46.987 -76.392 -10.781 1.00 12.71 N ATOM 1132 CA LEU A 71 47.249 -77.019 -12.078 1.00 16.06 C ATOM 1133 C LEU A 71 47.777 -76.005 -13.086 1.00 18.09 C ATOM 1134 O LEU A 71 47.197 -74.936 -13.276 1.00 19.26 O ATOM 1135 CB LEU A 71 45.963 -77.647 -12.621 1.00 17.10 C ATOM 1136 CG LEU A 71 45.445 -78.714 -11.648 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.103 -79.245 -12.161 1.00 17.51 C ATOM 1138 CD2 LEU A 71 46.453 -79.874 -11.539 1.00 19.57 C ATOM 0 H LEU A 71 46.103 -75.886 -10.736 1.00 12.71 H new ATOM 0 HA LEU A 71 48.007 -77.789 -11.931 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.206 -76.877 -12.765 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.152 -78.095 -13.597 1.00 17.10 H new ATOM 0 HG LEU A 71 45.318 -78.270 -10.661 1.00 19.37 H new ATOM 0 HD11 LEU A 71 43.726 -80.004 -11.476 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.387 -78.425 -12.223 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.239 -79.684 -13.150 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.072 -80.623 -10.845 1.00 19.57 H new ATOM 0 HD22 LEU A 71 46.594 -80.327 -12.520 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.407 -79.494 -11.174 1.00 19.57 H new ATOM 1150 N ARG A 72 48.879 -76.365 -13.735 1.00 21.47 N ATOM 1151 CA ARG A 72 49.507 -75.512 -14.744 1.00 25.83 C ATOM 1152 C ARG A 72 49.254 -76.084 -16.135 1.00 27.74 C ATOM 1153 O ARG A 72 49.352 -77.292 -16.342 1.00 30.65 O ATOM 1154 CB ARG A 72 51.013 -75.454 -14.485 1.00 28.49 C ATOM 1155 CG ARG A 72 51.694 -74.595 -15.550 1.00 31.79 C ATOM 1156 CD ARG A 72 53.164 -74.410 -15.177 1.00 34.05 C ATOM 1157 NE ARG A 72 53.862 -75.690 -15.217 1.00 35.08 N ATOM 1158 CZ ARG A 72 55.136 -75.791 -14.846 1.00 34.67 C ATOM 1159 NH1 ARG A 72 56.088 -75.561 -15.709 1.00 35.02 N ATOM 1160 NH2 ARG A 72 55.434 -76.120 -13.619 1.00 34.97 N ATOM 0 H ARG A 72 49.362 -77.250 -13.580 1.00 21.47 H new ATOM 0 HA ARG A 72 49.083 -74.510 -14.686 1.00 25.83 H new ATOM 0 HB2 ARG A 72 51.204 -75.040 -13.495 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.431 -76.461 -14.496 1.00 28.49 H new ATOM 0 HG2 ARG A 72 51.611 -75.071 -16.527 1.00 31.79 H new ATOM 0 HG3 ARG A 72 51.200 -73.626 -15.624 1.00 31.79 H new ATOM 0 HD2 ARG A 72 53.636 -73.709 -15.866 1.00 34.05 H new ATOM 0 HD3 ARG A 72 53.241 -73.977 -14.180 1.00 34.05 H new ATOM 0 HE ARG A 72 53.365 -76.522 -15.535 1.00 35.08 H new ATOM 0 HH11 ARG A 72 55.856 -75.304 -16.668 1.00 35.02 H new ATOM 0 HH12 ARG A 72 57.064 -75.639 -15.424 1.00 35.02 H new ATOM 0 HH21 ARG A 72 54.690 -76.300 -12.944 1.00 34.97 H new ATOM 0 HH22 ARG A 72 56.410 -76.197 -13.335 1.00 34.97 H new