USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 122:sc= 0.159 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.15 USER MOD Set 2.1: A 22 THR OG1 : rot -144:sc= -2.18! USER MOD Set 2.2: A 25 ASN : amide:sc= -2.51! C(o=-4.7!,f=-11!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 149:sc= -0.145 (180deg=-0.795) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc=-0.00159 USER MOD Set 4.1: A 7 THR OG1 : rot 127:sc= 0.456 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0138 (180deg=-0.175) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.955 (180deg=-0.00539) USER MOD Single : A 2 GLN : amide:sc= -4! C(o=-4!,f=-7.7!) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0945 (180deg=-0.672) USER MOD Single : A 14 THR OG1 : rot -66:sc= 1.61 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00816 USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -0.104 (180deg=-1.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.971 K(o=-0.97,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.0013 (180deg=0.000234) USER MOD Single : A 40 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= -1.77 K(o=-1.8,f=-8.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 62:sc= 0.918 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=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.923 -90.016 8.509 1.00 9.67 N ATOM 2 CA MET A 1 51.653 -89.304 8.833 1.00 10.38 C ATOM 3 C MET A 1 50.851 -89.086 7.556 1.00 9.62 C ATOM 4 O MET A 1 51.414 -89.033 6.462 1.00 9.62 O ATOM 5 CB MET A 1 51.976 -87.958 9.485 1.00 13.77 C ATOM 6 CG MET A 1 52.864 -87.131 8.557 1.00 16.29 C ATOM 7 SD MET A 1 53.355 -85.606 9.403 1.00 17.17 S ATOM 8 CE MET A 1 53.359 -84.524 7.954 1.00 16.11 C ATOM 0 H1 MET A 1 53.631 -89.816 9.244 1.00 9.67 H new ATOM 0 H2 MET A 1 52.746 -91.040 8.468 1.00 9.67 H new ATOM 0 H3 MET A 1 53.279 -89.689 7.588 1.00 9.67 H new ATOM 0 HA MET A 1 51.063 -89.904 9.526 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.054 -87.417 9.698 1.00 13.77 H new ATOM 0 HB3 MET A 1 52.480 -88.117 10.438 1.00 13.77 H new ATOM 0 HG2 MET A 1 53.747 -87.704 8.273 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.329 -86.894 7.637 1.00 16.29 H new ATOM 0 HE1 MET A 1 53.887 -83.600 8.191 1.00 16.11 H new ATOM 0 HE2 MET A 1 53.860 -85.026 7.126 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.332 -84.293 7.670 1.00 16.11 H new ATOM 20 N GLN A 2 49.535 -88.953 7.698 1.00 9.27 N ATOM 21 CA GLN A 2 48.664 -88.733 6.544 1.00 9.07 C ATOM 22 C GLN A 2 48.393 -87.246 6.365 1.00 8.72 C ATOM 23 O GLN A 2 48.199 -86.506 7.332 1.00 8.22 O ATOM 24 CB GLN A 2 47.322 -89.445 6.739 1.00 14.46 C ATOM 25 CG GLN A 2 47.506 -90.960 6.658 1.00 17.01 C ATOM 26 CD GLN A 2 47.856 -91.369 5.234 1.00 20.10 C ATOM 27 OE1 GLN A 2 47.605 -90.618 4.294 1.00 21.89 O ATOM 28 NE2 GLN A 2 48.403 -92.531 5.017 1.00 19.49 N ATOM 0 H GLN A 2 49.049 -88.993 8.594 1.00 9.27 H new ATOM 0 HA GLN A 2 49.169 -89.131 5.664 1.00 9.07 H new ATOM 0 HB2 GLN A 2 46.897 -89.175 7.706 1.00 14.46 H new ATOM 0 HB3 GLN A 2 46.615 -89.117 5.977 1.00 14.46 H new ATOM 0 HG2 GLN A 2 48.296 -91.275 7.340 1.00 17.01 H new ATOM 0 HG3 GLN A 2 46.592 -91.463 6.975 1.00 17.01 H new ATOM 0 HE21 GLN A 2 48.610 -93.151 5.800 1.00 19.49 H new ATOM 0 HE22 GLN A 2 48.625 -92.820 4.064 1.00 19.49 H new ATOM 37 N ILE A 3 48.341 -86.833 5.097 1.00 5.87 N ATOM 38 CA ILE A 3 48.049 -85.451 4.732 1.00 5.07 C ATOM 39 C ILE A 3 46.970 -85.458 3.649 1.00 4.01 C ATOM 40 O ILE A 3 46.704 -86.499 3.043 1.00 4.61 O ATOM 41 CB ILE A 3 49.315 -84.725 4.258 1.00 6.55 C ATOM 42 CG1 ILE A 3 49.895 -85.398 3.009 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.362 -84.754 5.376 1.00 5.58 C ATOM 44 CD1 ILE A 3 50.969 -84.499 2.389 1.00 10.83 C ATOM 0 H ILE A 3 48.500 -87.447 4.299 1.00 5.87 H new ATOM 0 HA ILE A 3 47.686 -84.907 5.604 1.00 5.07 H new ATOM 0 HB ILE A 3 49.053 -83.696 4.011 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.324 -86.365 3.271 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.103 -85.587 2.285 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.263 -84.239 5.044 1.00 5.58 H new ATOM 0 HG22 ILE A 3 49.964 -84.255 6.260 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.604 -85.788 5.621 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.379 -84.981 1.501 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.527 -83.542 2.111 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.767 -84.333 3.113 1.00 10.83 H new ATOM 56 N PHE A 4 46.357 -84.295 3.399 1.00 4.55 N ATOM 57 CA PHE A 4 45.309 -84.192 2.372 1.00 4.68 C ATOM 58 C PHE A 4 45.645 -83.115 1.344 1.00 5.30 C ATOM 59 O PHE A 4 46.106 -82.039 1.695 1.00 5.58 O ATOM 60 CB PHE A 4 43.970 -83.845 3.025 1.00 4.83 C ATOM 61 CG PHE A 4 43.569 -84.934 3.993 1.00 7.97 C ATOM 62 CD1 PHE A 4 42.983 -86.112 3.513 1.00 6.69 C ATOM 63 CD2 PHE A 4 43.772 -84.765 5.368 1.00 8.34 C ATOM 64 CE1 PHE A 4 42.601 -87.119 4.407 1.00 9.10 C ATOM 65 CE2 PHE A 4 43.391 -85.774 6.262 1.00 10.61 C ATOM 66 CZ PHE A 4 42.805 -86.950 5.781 1.00 8.90 C ATOM 0 H PHE A 4 46.563 -83.422 3.885 1.00 4.55 H new ATOM 0 HA PHE A 4 45.245 -85.156 1.867 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.048 -82.892 3.549 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.203 -83.727 2.260 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.826 -86.243 2.453 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.222 -83.856 5.740 1.00 8.34 H new ATOM 0 HE1 PHE A 4 42.149 -88.027 4.036 1.00 9.10 H new ATOM 0 HE2 PHE A 4 43.550 -85.644 7.322 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.510 -87.727 6.470 1.00 8.90 H new ATOM 76 N VAL A 5 45.364 -83.405 0.069 1.00 4.44 N ATOM 77 CA VAL A 5 45.588 -82.434 -1.009 1.00 3.87 C ATOM 78 C VAL A 5 44.269 -82.204 -1.739 1.00 4.93 C ATOM 79 O VAL A 5 43.664 -83.145 -2.246 1.00 6.84 O ATOM 80 CB VAL A 5 46.635 -82.942 -2.006 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.914 -81.845 -3.045 1.00 5.28 C ATOM 82 CG2 VAL A 5 47.941 -83.268 -1.273 1.00 9.13 C ATOM 0 H VAL A 5 44.983 -84.299 -0.241 1.00 4.44 H new ATOM 0 HA VAL A 5 45.957 -81.505 -0.573 1.00 3.87 H new ATOM 0 HB VAL A 5 46.257 -83.840 -2.494 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.658 -82.200 -3.758 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.992 -81.602 -3.574 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.289 -80.954 -2.542 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.680 -83.628 -1.989 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.318 -82.370 -0.784 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.756 -84.038 -0.524 1.00 9.13 H new ATOM 92 N LYS A 6 43.832 -80.949 -1.812 1.00 6.04 N ATOM 93 CA LYS A 6 42.584 -80.617 -2.511 1.00 6.12 C ATOM 94 C LYS A 6 42.882 -80.074 -3.908 1.00 6.57 C ATOM 95 O LYS A 6 43.847 -79.336 -4.107 1.00 5.76 O ATOM 96 CB LYS A 6 41.772 -79.584 -1.707 1.00 7.45 C ATOM 97 CG LYS A 6 40.840 -80.307 -0.726 1.00 11.12 C ATOM 98 CD LYS A 6 40.042 -79.279 0.064 1.00 14.54 C ATOM 99 CE LYS A 6 39.100 -79.994 1.033 1.00 18.84 C ATOM 100 NZ LYS A 6 39.880 -80.950 1.868 1.00 20.55 N ATOM 0 H LYS A 6 44.315 -80.150 -1.402 1.00 6.04 H new ATOM 0 HA LYS A 6 41.994 -81.529 -2.606 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.445 -78.922 -1.163 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.189 -78.959 -2.384 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.165 -80.969 -1.269 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.422 -80.932 -0.048 1.00 11.12 H new ATOM 0 HD2 LYS A 6 40.718 -78.624 0.615 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.470 -78.648 -0.616 1.00 14.54 H new ATOM 0 HE2 LYS A 6 38.595 -79.267 1.669 1.00 18.84 H new ATOM 0 HE3 LYS A 6 38.326 -80.525 0.479 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 39.435 -81.037 2.804 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 39.897 -81.881 1.405 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 40.853 -80.600 1.979 1.00 20.55 H new ATOM 114 N THR A 7 42.032 -80.446 -4.877 1.00 7.41 N ATOM 115 CA THR A 7 42.196 -79.992 -6.258 1.00 7.48 C ATOM 116 C THR A 7 41.223 -78.859 -6.583 1.00 8.75 C ATOM 117 O THR A 7 40.265 -78.591 -5.857 1.00 8.58 O ATOM 118 CB THR A 7 41.958 -81.141 -7.237 1.00 9.61 C ATOM 119 OG1 THR A 7 40.579 -81.473 -7.264 1.00 11.78 O ATOM 120 CG2 THR A 7 42.778 -82.370 -6.837 1.00 9.17 C ATOM 0 H THR A 7 41.229 -81.057 -4.727 1.00 7.41 H new ATOM 0 HA THR A 7 43.219 -79.629 -6.361 1.00 7.48 H new ATOM 0 HB THR A 7 42.274 -80.820 -8.230 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.258 -81.464 -8.190 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.594 -83.177 -7.547 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.838 -82.117 -6.841 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.486 -82.693 -5.838 1.00 9.17 H new ATOM 128 N LEU A 8 41.511 -78.222 -7.689 1.00 9.84 N ATOM 129 CA LEU A 8 40.689 -77.107 -8.160 1.00 14.15 C ATOM 130 C LEU A 8 39.276 -77.569 -8.502 1.00 17.37 C ATOM 131 O LEU A 8 38.359 -76.752 -8.585 1.00 17.01 O ATOM 132 CB LEU A 8 41.310 -76.479 -9.408 1.00 16.63 C ATOM 133 CG LEU A 8 42.717 -75.973 -9.093 1.00 18.88 C ATOM 134 CD1 LEU A 8 43.361 -75.447 -10.380 1.00 19.31 C ATOM 135 CD2 LEU A 8 42.662 -74.846 -8.044 1.00 18.59 C ATOM 0 H LEU A 8 42.305 -78.447 -8.289 1.00 9.84 H new ATOM 0 HA LEU A 8 40.642 -76.374 -7.355 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.350 -77.213 -10.213 1.00 16.63 H new ATOM 0 HB3 LEU A 8 40.688 -75.655 -9.759 1.00 16.63 H new ATOM 0 HG LEU A 8 43.309 -76.794 -8.690 1.00 18.88 H new ATOM 0 HD11 LEU A 8 44.366 -75.084 -10.162 1.00 19.31 H new ATOM 0 HD12 LEU A 8 43.417 -76.251 -11.114 1.00 19.31 H new ATOM 0 HD13 LEU A 8 42.760 -74.631 -10.781 1.00 19.31 H new ATOM 0 HD21 LEU A 8 43.673 -74.497 -7.831 1.00 18.59 H new ATOM 0 HD22 LEU A 8 42.066 -74.019 -8.430 1.00 18.59 H new ATOM 0 HD23 LEU A 8 42.208 -75.224 -7.128 1.00 18.59 H new ATOM 147 N THR A 9 39.096 -78.876 -8.725 1.00 18.33 N ATOM 148 CA THR A 9 37.774 -79.402 -9.085 1.00 19.24 C ATOM 149 C THR A 9 36.991 -79.877 -7.863 1.00 19.48 C ATOM 150 O THR A 9 35.844 -80.307 -7.984 1.00 23.14 O ATOM 151 CB THR A 9 37.887 -80.510 -10.133 1.00 18.97 C ATOM 152 OG1 THR A 9 38.531 -81.636 -9.554 1.00 20.24 O ATOM 153 CG2 THR A 9 38.703 -80.014 -11.327 1.00 19.70 C ATOM 0 H THR A 9 39.834 -79.578 -8.664 1.00 18.33 H new ATOM 0 HA THR A 9 37.212 -78.578 -9.524 1.00 19.24 H new ATOM 0 HB THR A 9 36.890 -80.790 -10.474 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.605 -82.350 -10.221 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.780 -80.808 -12.070 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.210 -79.149 -11.770 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.701 -79.731 -10.993 1.00 19.70 H new ATOM 161 N GLY A 10 37.593 -79.754 -6.680 1.00 19.43 N ATOM 162 CA GLY A 10 36.910 -80.128 -5.439 1.00 18.74 C ATOM 163 C GLY A 10 37.210 -81.551 -4.979 1.00 17.62 C ATOM 164 O GLY A 10 36.529 -82.088 -4.105 1.00 19.74 O ATOM 0 H GLY A 10 38.542 -79.402 -6.554 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.200 -79.432 -4.651 1.00 18.74 H new ATOM 0 HA3 GLY A 10 35.835 -80.020 -5.580 1.00 18.74 H new ATOM 168 N LYS A 11 38.239 -82.153 -5.570 1.00 13.56 N ATOM 169 CA LYS A 11 38.609 -83.519 -5.191 1.00 11.91 C ATOM 170 C LYS A 11 39.625 -83.480 -4.052 1.00 10.18 C ATOM 171 O LYS A 11 40.476 -82.598 -4.027 1.00 9.10 O ATOM 172 CB LYS A 11 39.241 -84.255 -6.374 1.00 13.43 C ATOM 173 CG LYS A 11 39.394 -85.741 -6.047 1.00 16.69 C ATOM 174 CD LYS A 11 40.026 -86.458 -7.241 1.00 17.92 C ATOM 175 CE LYS A 11 40.176 -87.945 -6.921 1.00 20.81 C ATOM 176 NZ LYS A 11 38.829 -88.538 -6.693 1.00 21.93 N ATOM 0 H LYS A 11 38.820 -81.732 -6.295 1.00 13.56 H new ATOM 0 HA LYS A 11 37.705 -84.041 -4.878 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.621 -84.132 -7.262 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.215 -83.823 -6.603 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.016 -85.868 -5.161 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.421 -86.177 -5.819 1.00 16.69 H new ATOM 0 HD2 LYS A 11 39.406 -86.327 -8.128 1.00 17.92 H new ATOM 0 HD3 LYS A 11 41.000 -86.023 -7.466 1.00 17.92 H new ATOM 0 HE2 LYS A 11 40.677 -88.457 -7.743 1.00 20.81 H new ATOM 0 HE3 LYS A 11 40.799 -88.077 -6.036 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 38.879 -89.570 -6.811 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 38.510 -88.315 -5.728 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 38.155 -88.143 -7.380 1.00 21.93 H new ATOM 190 N THR A 12 39.562 -84.444 -3.126 1.00 9.63 N ATOM 191 CA THR A 12 40.532 -84.487 -2.015 1.00 9.85 C ATOM 192 C THR A 12 41.335 -85.787 -2.102 1.00 11.66 C ATOM 193 O THR A 12 40.756 -86.871 -2.167 1.00 12.33 O ATOM 194 CB THR A 12 39.811 -84.407 -0.666 1.00 10.85 C ATOM 195 OG1 THR A 12 39.081 -83.190 -0.596 1.00 10.91 O ATOM 196 CG2 THR A 12 40.854 -84.432 0.457 1.00 9.63 C ATOM 0 H THR A 12 38.868 -85.191 -3.118 1.00 9.63 H new ATOM 0 HA THR A 12 41.204 -83.632 -2.094 1.00 9.85 H new ATOM 0 HB THR A 12 39.129 -85.250 -0.560 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.617 -83.136 0.265 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.351 -84.375 1.422 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.427 -85.357 0.400 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.526 -83.581 0.348 1.00 9.63 H new ATOM 204 N ILE A 13 42.669 -85.680 -2.080 1.00 10.42 N ATOM 205 CA ILE A 13 43.535 -86.867 -2.134 1.00 11.84 C ATOM 206 C ILE A 13 44.252 -87.049 -0.796 1.00 10.55 C ATOM 207 O ILE A 13 44.726 -86.082 -0.206 1.00 11.92 O ATOM 208 CB ILE A 13 44.610 -86.744 -3.234 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.005 -86.044 -4.455 1.00 14.87 C ATOM 210 CG2 ILE A 13 45.110 -88.136 -3.634 1.00 17.08 C ATOM 211 CD1 ILE A 13 44.995 -86.071 -5.623 1.00 16.46 C ATOM 0 H ILE A 13 43.170 -84.793 -2.026 1.00 10.42 H new ATOM 0 HA ILE A 13 42.894 -87.720 -2.355 1.00 11.84 H new ATOM 0 HB ILE A 13 45.450 -86.161 -2.855 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.077 -86.537 -4.744 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.754 -85.013 -4.205 1.00 14.87 H new ATOM 0 HG21 ILE A 13 45.869 -88.041 -4.411 1.00 17.08 H new ATOM 0 HG22 ILE A 13 45.542 -88.631 -2.764 1.00 17.08 H new ATOM 0 HG23 ILE A 13 44.276 -88.727 -4.012 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.554 -85.571 -6.485 1.00 16.46 H new ATOM 0 HD12 ILE A 13 45.912 -85.557 -5.335 1.00 16.46 H new ATOM 0 HD13 ILE A 13 45.225 -87.105 -5.882 1.00 16.46 H new ATOM 223 N THR A 14 44.351 -88.301 -0.337 1.00 9.39 N ATOM 224 CA THR A 14 45.044 -88.600 0.920 1.00 9.63 C ATOM 225 C THR A 14 46.395 -89.227 0.597 1.00 11.20 C ATOM 226 O THR A 14 46.476 -90.137 -0.229 1.00 11.63 O ATOM 227 CB THR A 14 44.211 -89.569 1.767 1.00 10.38 C ATOM 228 OG1 THR A 14 42.944 -88.988 2.039 1.00 16.30 O ATOM 229 CG2 THR A 14 44.933 -89.849 3.085 1.00 11.66 C ATOM 0 H THR A 14 43.964 -89.116 -0.812 1.00 9.39 H new ATOM 0 HA THR A 14 45.186 -87.680 1.486 1.00 9.63 H new ATOM 0 HB THR A 14 44.077 -90.503 1.221 1.00 10.38 H new ATOM 0 HG1 THR A 14 43.061 -88.199 2.609 1.00 16.30 H new ATOM 0 HG21 THR A 14 44.339 -90.538 3.686 1.00 11.66 H new ATOM 0 HG22 THR A 14 45.907 -90.293 2.879 1.00 11.66 H new ATOM 0 HG23 THR A 14 45.068 -88.915 3.631 1.00 11.66 H new ATOM 237 N LEU A 15 47.460 -88.734 1.234 1.00 8.29 N ATOM 238 CA LEU A 15 48.810 -89.256 0.981 1.00 9.03 C ATOM 239 C LEU A 15 49.485 -89.650 2.288 1.00 8.59 C ATOM 240 O LEU A 15 49.257 -89.025 3.322 1.00 7.79 O ATOM 241 CB LEU A 15 49.658 -88.179 0.295 1.00 11.08 C ATOM 242 CG LEU A 15 49.000 -87.738 -1.020 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.735 -86.506 -1.557 1.00 15.88 C ATOM 244 CD2 LEU A 15 49.071 -88.867 -2.059 1.00 15.27 C ATOM 0 H LEU A 15 47.418 -87.982 1.922 1.00 8.29 H new ATOM 0 HA LEU A 15 48.725 -90.134 0.341 1.00 9.03 H new ATOM 0 HB2 LEU A 15 49.773 -87.321 0.957 1.00 11.08 H new ATOM 0 HB3 LEU A 15 50.658 -88.565 0.097 1.00 11.08 H new ATOM 0 HG LEU A 15 47.953 -87.499 -0.833 1.00 15.79 H new ATOM 0 HD11 LEU A 15 49.274 -86.186 -2.491 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.674 -85.699 -0.827 1.00 15.88 H new ATOM 0 HD13 LEU A 15 50.781 -86.755 -1.735 1.00 15.88 H new ATOM 0 HD21 LEU A 15 48.600 -88.539 -2.986 1.00 15.27 H new ATOM 0 HD22 LEU A 15 50.114 -89.119 -2.251 1.00 15.27 H new ATOM 0 HD23 LEU A 15 48.549 -89.745 -1.678 1.00 15.27 H new ATOM 256 N GLU A 16 50.374 -90.644 2.224 1.00 11.04 N ATOM 257 CA GLU A 16 51.140 -91.052 3.405 1.00 11.50 C ATOM 258 C GLU A 16 52.520 -90.425 3.258 1.00 10.13 C ATOM 259 O GLU A 16 53.202 -90.646 2.257 1.00 9.83 O ATOM 260 CB GLU A 16 51.250 -92.578 3.497 1.00 17.22 C ATOM 261 CG GLU A 16 52.047 -92.962 4.746 1.00 23.33 C ATOM 262 CD GLU A 16 52.161 -94.479 4.845 1.00 26.99 C ATOM 263 OE1 GLU A 16 51.797 -95.145 3.889 1.00 28.86 O ATOM 264 OE2 GLU A 16 52.608 -94.954 5.876 1.00 28.90 O ATOM 0 H GLU A 16 50.580 -91.176 1.378 1.00 11.04 H new ATOM 0 HA GLU A 16 50.646 -90.721 4.319 1.00 11.50 H new ATOM 0 HB2 GLU A 16 50.256 -93.022 3.537 1.00 17.22 H new ATOM 0 HB3 GLU A 16 51.739 -92.972 2.606 1.00 17.22 H new ATOM 0 HG2 GLU A 16 53.041 -92.516 4.705 1.00 23.33 H new ATOM 0 HG3 GLU A 16 51.557 -92.567 5.636 1.00 23.33 H new ATOM 271 N VAL A 17 52.923 -89.619 4.239 1.00 8.99 N ATOM 272 CA VAL A 17 54.219 -88.941 4.178 1.00 8.85 C ATOM 273 C VAL A 17 54.912 -88.921 5.532 1.00 8.04 C ATOM 274 O VAL A 17 54.307 -89.185 6.570 1.00 8.99 O ATOM 275 CB VAL A 17 54.018 -87.496 3.722 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.424 -87.466 2.313 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.068 -86.797 4.697 1.00 10.54 C ATOM 0 H VAL A 17 52.378 -89.420 5.078 1.00 8.99 H new ATOM 0 HA VAL A 17 54.843 -89.492 3.474 1.00 8.85 H new ATOM 0 HB VAL A 17 54.979 -86.982 3.706 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.285 -86.432 1.999 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.101 -87.968 1.622 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.461 -87.977 2.313 1.00 12.05 H new ATOM 0 HG21 VAL A 17 52.917 -85.765 4.381 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.110 -87.317 4.707 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.499 -86.811 5.698 1.00 10.54 H new ATOM 287 N GLU A 18 56.188 -88.548 5.494 1.00 7.29 N ATOM 288 CA GLU A 18 57.003 -88.414 6.700 1.00 7.08 C ATOM 289 C GLU A 18 57.445 -86.949 6.787 1.00 6.45 C ATOM 290 O GLU A 18 57.570 -86.302 5.748 1.00 5.28 O ATOM 291 CB GLU A 18 58.229 -89.328 6.615 1.00 10.28 C ATOM 292 CG GLU A 18 57.788 -90.794 6.663 1.00 12.65 C ATOM 293 CD GLU A 18 57.447 -91.191 8.095 1.00 14.15 C ATOM 294 OE1 GLU A 18 58.365 -91.493 8.841 1.00 14.33 O ATOM 295 OE2 GLU A 18 56.273 -91.188 8.426 1.00 18.17 O ATOM 0 H GLU A 18 56.686 -88.331 4.631 1.00 7.29 H new ATOM 0 HA GLU A 18 56.433 -88.701 7.584 1.00 7.08 H new ATOM 0 HB2 GLU A 18 58.776 -89.133 5.692 1.00 10.28 H new ATOM 0 HB3 GLU A 18 58.910 -89.116 7.440 1.00 10.28 H new ATOM 0 HG2 GLU A 18 56.921 -90.942 6.020 1.00 12.65 H new ATOM 0 HG3 GLU A 18 58.583 -91.434 6.279 1.00 12.65 H new ATOM 302 N PRO A 19 57.677 -86.380 7.952 1.00 7.24 N ATOM 303 CA PRO A 19 58.089 -84.957 8.021 1.00 7.07 C ATOM 304 C PRO A 19 59.370 -84.676 7.239 1.00 6.65 C ATOM 305 O PRO A 19 59.620 -83.540 6.830 1.00 6.37 O ATOM 306 CB PRO A 19 58.270 -84.651 9.523 1.00 7.61 C ATOM 307 CG PRO A 19 57.518 -85.750 10.218 1.00 8.16 C ATOM 308 CD PRO A 19 57.584 -86.977 9.295 1.00 7.49 C ATOM 0 HA PRO A 19 57.336 -84.317 7.561 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.323 -84.649 9.805 1.00 7.61 H new ATOM 0 HB3 PRO A 19 57.870 -83.670 9.780 1.00 7.61 H new ATOM 0 HG2 PRO A 19 57.963 -85.970 11.188 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.484 -85.457 10.400 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.448 -87.603 9.518 1.00 7.49 H new ATOM 0 HD3 PRO A 19 56.699 -87.606 9.396 1.00 7.49 H new ATOM 316 N SER A 20 60.187 -85.712 7.048 1.00 6.80 N ATOM 317 CA SER A 20 61.451 -85.564 6.330 1.00 6.28 C ATOM 318 C SER A 20 61.270 -85.685 4.821 1.00 8.45 C ATOM 319 O SER A 20 62.234 -85.527 4.071 1.00 7.26 O ATOM 320 CB SER A 20 62.453 -86.613 6.805 1.00 8.57 C ATOM 321 OG SER A 20 61.845 -87.898 6.771 1.00 11.13 O ATOM 0 H SER A 20 59.997 -86.658 7.379 1.00 6.80 H new ATOM 0 HA SER A 20 61.828 -84.564 6.546 1.00 6.28 H new ATOM 0 HB2 SER A 20 63.338 -86.601 6.169 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.785 -86.382 7.817 1.00 8.57 H new ATOM 0 HG SER A 20 62.488 -88.572 7.074 1.00 11.13 H new ATOM 327 N ASP A 21 60.047 -85.937 4.359 1.00 7.50 N ATOM 328 CA ASP A 21 59.812 -86.033 2.925 1.00 7.70 C ATOM 329 C ASP A 21 59.947 -84.642 2.335 1.00 7.08 C ATOM 330 O ASP A 21 59.531 -83.638 2.928 1.00 8.11 O ATOM 331 CB ASP A 21 58.408 -86.587 2.651 1.00 11.00 C ATOM 332 CG ASP A 21 58.379 -88.099 2.862 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.437 -88.705 2.841 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.295 -88.629 3.042 1.00 14.36 O ATOM 0 H ASP A 21 59.222 -86.075 4.943 1.00 7.50 H new ATOM 0 HA ASP A 21 60.536 -86.710 2.471 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.686 -86.108 3.312 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.110 -86.351 1.629 1.00 11.00 H new ATOM 339 N THR A 22 60.512 -84.612 1.127 1.00 5.37 N ATOM 340 CA THR A 22 60.687 -83.370 0.399 1.00 6.01 C ATOM 341 C THR A 22 59.429 -83.053 -0.395 1.00 8.01 C ATOM 342 O THR A 22 58.653 -83.940 -0.732 1.00 8.11 O ATOM 343 CB THR A 22 61.855 -83.462 -0.577 1.00 8.92 C ATOM 344 OG1 THR A 22 61.591 -84.474 -1.537 1.00 10.22 O ATOM 345 CG2 THR A 22 63.161 -83.776 0.155 1.00 9.65 C ATOM 0 H THR A 22 60.854 -85.439 0.638 1.00 5.37 H new ATOM 0 HA THR A 22 60.888 -82.586 1.129 1.00 6.01 H new ATOM 0 HB THR A 22 61.965 -82.498 -1.074 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.426 -84.932 -1.768 1.00 10.22 H new ATOM 0 HG21 THR A 22 63.977 -83.836 -0.566 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.372 -82.987 0.877 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.066 -84.729 0.676 1.00 9.65 H new ATOM 353 N ILE A 23 59.257 -81.785 -0.712 1.00 8.32 N ATOM 354 CA ILE A 23 58.114 -81.350 -1.506 1.00 9.92 C ATOM 355 C ILE A 23 58.172 -82.016 -2.883 1.00 10.01 C ATOM 356 O ILE A 23 57.149 -82.450 -3.407 1.00 8.71 O ATOM 357 CB ILE A 23 58.128 -79.824 -1.612 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.903 -79.190 -0.227 1.00 11.38 C ATOM 359 CG2 ILE A 23 57.060 -79.347 -2.599 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.587 -79.657 0.398 1.00 12.30 C ATOM 0 H ILE A 23 59.890 -81.035 -0.435 1.00 8.32 H new ATOM 0 HA ILE A 23 57.180 -81.647 -1.029 1.00 9.92 H new ATOM 0 HB ILE A 23 59.104 -79.510 -1.983 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.732 -79.449 0.432 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.897 -78.104 -0.320 1.00 11.38 H new ATOM 0 HG21 ILE A 23 57.083 -78.259 -2.663 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.258 -79.772 -3.583 1.00 10.90 H new ATOM 0 HG23 ILE A 23 56.077 -79.669 -2.255 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.462 -79.189 1.375 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.756 -79.374 -0.249 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.604 -80.741 0.514 1.00 12.30 H new ATOM 372 N GLU A 24 59.374 -82.123 -3.454 1.00 9.54 N ATOM 373 CA GLU A 24 59.531 -82.781 -4.753 1.00 11.81 C ATOM 374 C GLU A 24 59.048 -84.224 -4.633 1.00 11.14 C ATOM 375 O GLU A 24 58.428 -84.756 -5.550 1.00 10.62 O ATOM 376 CB GLU A 24 60.998 -82.754 -5.194 1.00 19.24 C ATOM 377 CG GLU A 24 61.145 -83.431 -6.560 1.00 27.76 C ATOM 378 CD GLU A 24 62.600 -83.372 -7.015 1.00 32.92 C ATOM 379 OE1 GLU A 24 63.436 -82.989 -6.213 1.00 34.80 O ATOM 380 OE2 GLU A 24 62.856 -83.711 -8.158 1.00 36.51 O ATOM 0 H GLU A 24 60.239 -81.769 -3.046 1.00 9.54 H new ATOM 0 HA GLU A 24 58.941 -82.252 -5.502 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.351 -81.724 -5.249 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.618 -83.265 -4.457 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.816 -84.468 -6.499 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.506 -82.936 -7.291 1.00 27.76 H new ATOM 387 N ASN A 25 59.337 -84.850 -3.496 1.00 9.43 N ATOM 388 CA ASN A 25 58.911 -86.234 -3.292 1.00 10.96 C ATOM 389 C ASN A 25 57.386 -86.285 -3.228 1.00 9.68 C ATOM 390 O ASN A 25 56.766 -87.191 -3.779 1.00 9.33 O ATOM 391 CB ASN A 25 59.498 -86.805 -2.001 1.00 16.78 C ATOM 392 CG ASN A 25 61.000 -87.004 -2.160 1.00 22.31 C ATOM 393 OD1 ASN A 25 61.627 -86.358 -3.000 1.00 25.66 O ATOM 394 ND2 ASN A 25 61.616 -87.871 -1.408 1.00 24.70 N ATOM 0 H ASN A 25 59.851 -84.436 -2.719 1.00 9.43 H new ATOM 0 HA ASN A 25 59.272 -86.836 -4.126 1.00 10.96 H new ATOM 0 HB2 ASN A 25 59.298 -86.129 -1.170 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.019 -87.755 -1.762 1.00 16.78 H new ATOM 0 HD21 ASN A 25 62.620 -88.016 -1.514 1.00 24.70 H new ATOM 0 HD22 ASN A 25 61.094 -88.405 -0.713 1.00 24.70 H new ATOM 401 N VAL A 26 56.789 -85.296 -2.564 1.00 6.52 N ATOM 402 CA VAL A 26 55.334 -85.235 -2.454 1.00 5.53 C ATOM 403 C VAL A 26 54.715 -85.072 -3.843 1.00 4.42 C ATOM 404 O VAL A 26 53.737 -85.746 -4.169 1.00 3.40 O ATOM 405 CB VAL A 26 54.897 -84.091 -1.536 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.375 -83.936 -1.589 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.340 -84.380 -0.100 1.00 8.12 C ATOM 0 H VAL A 26 57.284 -84.535 -2.099 1.00 6.52 H new ATOM 0 HA VAL A 26 54.983 -86.168 -2.013 1.00 5.53 H new ATOM 0 HB VAL A 26 55.362 -83.165 -1.873 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.069 -83.120 -0.934 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.067 -83.715 -2.611 1.00 7.25 H new ATOM 0 HG13 VAL A 26 52.903 -84.862 -1.260 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.026 -83.562 0.549 1.00 8.12 H new ATOM 0 HG22 VAL A 26 54.884 -85.310 0.241 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.425 -84.474 -0.066 1.00 8.12 H new ATOM 417 N LYS A 27 55.293 -84.192 -4.675 1.00 2.64 N ATOM 418 CA LYS A 27 54.785 -83.986 -6.028 1.00 4.14 C ATOM 419 C LYS A 27 54.855 -85.302 -6.798 1.00 5.58 C ATOM 420 O LYS A 27 53.959 -85.631 -7.568 1.00 4.11 O ATOM 421 CB LYS A 27 55.641 -82.974 -6.793 1.00 3.97 C ATOM 422 CG LYS A 27 55.491 -81.538 -6.245 1.00 7.45 C ATOM 423 CD LYS A 27 55.571 -80.548 -7.429 1.00 9.02 C ATOM 424 CE LYS A 27 55.927 -79.142 -6.927 1.00 12.90 C ATOM 425 NZ LYS A 27 54.840 -78.641 -6.039 1.00 15.47 N ATOM 0 H LYS A 27 56.103 -83.621 -4.433 1.00 2.64 H new ATOM 0 HA LYS A 27 53.762 -83.619 -5.945 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.688 -83.273 -6.738 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.361 -82.989 -7.846 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.540 -81.429 -5.724 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.277 -81.326 -5.520 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.321 -80.886 -8.144 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.617 -80.523 -7.955 1.00 9.02 H new ATOM 0 HE2 LYS A 27 56.872 -79.167 -6.384 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.062 -78.466 -7.771 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 54.487 -77.732 -6.401 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 54.062 -79.331 -6.019 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 55.211 -78.510 -5.076 1.00 15.47 H new ATOM 439 N ALA A 28 55.945 -86.037 -6.589 1.00 6.61 N ATOM 440 CA ALA A 28 56.136 -87.305 -7.282 1.00 7.74 C ATOM 441 C ALA A 28 55.038 -88.289 -6.898 1.00 9.17 C ATOM 442 O ALA A 28 54.548 -89.043 -7.738 1.00 11.45 O ATOM 443 CB ALA A 28 57.516 -87.891 -6.972 1.00 7.68 C ATOM 0 H ALA A 28 56.700 -85.779 -5.953 1.00 6.61 H new ATOM 0 HA ALA A 28 56.079 -87.122 -8.355 1.00 7.74 H new ATOM 0 HB1 ALA A 28 57.636 -88.837 -7.500 1.00 7.68 H new ATOM 0 HB2 ALA A 28 58.289 -87.194 -7.296 1.00 7.68 H new ATOM 0 HB3 ALA A 28 57.607 -88.060 -5.899 1.00 7.68 H new ATOM 449 N LYS A 29 54.641 -88.265 -5.635 1.00 8.96 N ATOM 450 CA LYS A 29 53.581 -89.149 -5.169 1.00 7.90 C ATOM 451 C LYS A 29 52.260 -88.775 -5.847 1.00 6.92 C ATOM 452 O LYS A 29 51.498 -89.648 -6.252 1.00 6.87 O ATOM 453 CB LYS A 29 53.430 -89.039 -3.651 1.00 10.28 C ATOM 454 CG LYS A 29 54.645 -89.666 -2.964 1.00 14.94 C ATOM 455 CD LYS A 29 54.483 -89.550 -1.443 1.00 19.69 C ATOM 456 CE LYS A 29 55.694 -90.174 -0.721 1.00 22.63 C ATOM 457 NZ LYS A 29 55.371 -91.577 -0.335 1.00 24.98 N ATOM 0 H LYS A 29 55.031 -87.651 -4.920 1.00 8.96 H new ATOM 0 HA LYS A 29 53.841 -90.176 -5.425 1.00 7.90 H new ATOM 0 HB2 LYS A 29 53.336 -87.993 -3.360 1.00 10.28 H new ATOM 0 HB3 LYS A 29 52.518 -89.543 -3.329 1.00 10.28 H new ATOM 0 HG2 LYS A 29 54.740 -90.713 -3.252 1.00 14.94 H new ATOM 0 HG3 LYS A 29 55.558 -89.163 -3.284 1.00 14.94 H new ATOM 0 HD2 LYS A 29 54.385 -88.502 -1.161 1.00 19.69 H new ATOM 0 HD3 LYS A 29 53.567 -90.052 -1.130 1.00 19.69 H new ATOM 0 HE2 LYS A 29 56.568 -90.156 -1.372 1.00 22.63 H new ATOM 0 HE3 LYS A 29 55.944 -89.590 0.165 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 56.187 -92.000 0.152 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 54.548 -91.581 0.301 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 55.153 -92.130 -1.188 1.00 24.98 H new ATOM 471 N ILE A 30 52.022 -87.464 -6.015 1.00 4.57 N ATOM 472 CA ILE A 30 50.817 -86.979 -6.696 1.00 5.58 C ATOM 473 C ILE A 30 50.844 -87.416 -8.164 1.00 7.26 C ATOM 474 O ILE A 30 49.817 -87.804 -8.711 1.00 9.46 O ATOM 475 CB ILE A 30 50.698 -85.456 -6.567 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.366 -85.134 -5.099 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.581 -84.947 -7.495 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.199 -83.627 -4.894 1.00 2.00 C ATOM 0 H ILE A 30 52.647 -86.726 -5.689 1.00 4.57 H new ATOM 0 HA ILE A 30 49.937 -87.415 -6.223 1.00 5.58 H new ATOM 0 HB ILE A 30 51.629 -84.967 -6.854 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.450 -85.648 -4.808 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.160 -85.507 -4.452 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.497 -83.864 -7.403 1.00 2.78 H new ATOM 0 HG22 ILE A 30 49.819 -85.206 -8.527 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.635 -85.410 -7.214 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.965 -83.426 -3.849 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.125 -83.118 -5.163 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.388 -83.262 -5.524 1.00 2.00 H new ATOM 490 N GLN A 31 52.013 -87.359 -8.797 1.00 7.06 N ATOM 491 CA GLN A 31 52.134 -87.762 -10.201 1.00 8.67 C ATOM 492 C GLN A 31 51.726 -89.222 -10.343 1.00 10.90 C ATOM 493 O GLN A 31 51.015 -89.601 -11.275 1.00 9.63 O ATOM 494 CB GLN A 31 53.596 -87.604 -10.640 1.00 9.12 C ATOM 495 CG GLN A 31 53.766 -88.056 -12.095 1.00 10.76 C ATOM 496 CD GLN A 31 55.213 -87.861 -12.533 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.052 -87.437 -11.737 1.00 14.48 O ATOM 498 NE2 GLN A 31 55.558 -88.147 -13.759 1.00 14.76 N ATOM 0 H GLN A 31 52.883 -87.042 -8.369 1.00 7.06 H new ATOM 0 HA GLN A 31 51.489 -87.139 -10.821 1.00 8.67 H new ATOM 0 HB2 GLN A 31 53.903 -86.563 -10.537 1.00 9.12 H new ATOM 0 HB3 GLN A 31 54.244 -88.193 -9.991 1.00 9.12 H new ATOM 0 HG2 GLN A 31 53.485 -89.104 -12.194 1.00 10.76 H new ATOM 0 HG3 GLN A 31 53.101 -87.485 -12.743 1.00 10.76 H new ATOM 0 HE21 GLN A 31 54.861 -88.498 -14.416 1.00 14.76 H new ATOM 0 HE22 GLN A 31 56.524 -88.020 -14.060 1.00 14.76 H new ATOM 507 N ASP A 32 52.206 -90.025 -9.422 1.00 10.93 N ATOM 508 CA ASP A 32 51.912 -91.448 -9.458 1.00 14.01 C ATOM 509 C ASP A 32 50.406 -91.692 -9.363 1.00 14.04 C ATOM 510 O ASP A 32 49.871 -92.587 -10.018 1.00 13.39 O ATOM 511 CB ASP A 32 52.624 -92.150 -8.297 1.00 18.01 C ATOM 512 CG ASP A 32 52.369 -93.655 -8.343 1.00 24.33 C ATOM 513 OD1 ASP A 32 51.410 -94.059 -8.979 1.00 26.29 O ATOM 514 OD2 ASP A 32 53.141 -94.383 -7.741 1.00 25.17 O ATOM 0 H ASP A 32 52.796 -89.727 -8.645 1.00 10.93 H new ATOM 0 HA ASP A 32 52.269 -91.853 -10.405 1.00 14.01 H new ATOM 0 HB2 ASP A 32 53.695 -91.955 -8.349 1.00 18.01 H new ATOM 0 HB3 ASP A 32 52.272 -91.745 -7.348 1.00 18.01 H new ATOM 519 N LYS A 33 49.738 -90.923 -8.508 1.00 14.22 N ATOM 520 CA LYS A 33 48.301 -91.093 -8.288 1.00 14.00 C ATOM 521 C LYS A 33 47.412 -90.414 -9.345 1.00 12.37 C ATOM 522 O LYS A 33 46.358 -90.950 -9.687 1.00 12.17 O ATOM 523 CB LYS A 33 47.914 -90.522 -6.920 1.00 18.62 C ATOM 524 CG LYS A 33 48.757 -91.166 -5.788 1.00 24.00 C ATOM 525 CD LYS A 33 47.852 -91.544 -4.608 1.00 27.61 C ATOM 526 CE LYS A 33 48.708 -92.050 -3.447 1.00 27.64 C ATOM 527 NZ LYS A 33 47.830 -92.372 -2.287 1.00 30.06 N ATOM 0 H LYS A 33 50.165 -90.178 -7.957 1.00 14.22 H new ATOM 0 HA LYS A 33 48.126 -92.167 -8.352 1.00 14.00 H new ATOM 0 HB2 LYS A 33 48.061 -89.442 -6.918 1.00 18.62 H new ATOM 0 HB3 LYS A 33 46.855 -90.699 -6.735 1.00 18.62 H new ATOM 0 HG2 LYS A 33 49.268 -92.053 -6.164 1.00 24.00 H new ATOM 0 HG3 LYS A 33 49.528 -90.470 -5.457 1.00 24.00 H new ATOM 0 HD2 LYS A 33 47.268 -90.679 -4.293 1.00 27.61 H new ATOM 0 HD3 LYS A 33 47.143 -92.314 -4.913 1.00 27.61 H new ATOM 0 HE2 LYS A 33 49.266 -92.935 -3.751 1.00 27.64 H new ATOM 0 HE3 LYS A 33 49.440 -91.294 -3.164 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 48.408 -92.748 -1.508 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 47.342 -91.510 -1.971 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 47.126 -93.083 -2.571 1.00 30.06 H new ATOM 541 N GLU A 34 47.771 -89.202 -9.789 1.00 10.11 N ATOM 542 CA GLU A 34 46.905 -88.441 -10.719 1.00 10.07 C ATOM 543 C GLU A 34 47.431 -88.271 -12.154 1.00 9.32 C ATOM 544 O GLU A 34 46.667 -87.933 -13.058 1.00 11.61 O ATOM 545 CB GLU A 34 46.651 -87.066 -10.085 1.00 14.77 C ATOM 546 CG GLU A 34 45.839 -87.258 -8.796 1.00 18.75 C ATOM 547 CD GLU A 34 44.414 -87.693 -9.123 1.00 22.28 C ATOM 548 OE1 GLU A 34 43.993 -87.476 -10.247 1.00 21.95 O ATOM 549 OE2 GLU A 34 43.766 -88.239 -8.245 1.00 25.19 O ATOM 0 H GLU A 34 48.637 -88.729 -9.529 1.00 10.11 H new ATOM 0 HA GLU A 34 45.996 -89.029 -10.848 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.597 -86.571 -9.865 1.00 14.77 H new ATOM 0 HB3 GLU A 34 46.110 -86.424 -10.780 1.00 14.77 H new ATOM 0 HG2 GLU A 34 46.318 -88.006 -8.165 1.00 18.75 H new ATOM 0 HG3 GLU A 34 45.820 -86.327 -8.229 1.00 18.75 H new ATOM 556 N GLY A 35 48.715 -88.537 -12.367 1.00 7.22 N ATOM 557 CA GLY A 35 49.293 -88.440 -13.713 1.00 6.29 C ATOM 558 C GLY A 35 49.681 -87.007 -14.100 1.00 6.93 C ATOM 559 O GLY A 35 49.981 -86.726 -15.260 1.00 7.41 O ATOM 0 H GLY A 35 49.372 -88.818 -11.639 1.00 7.22 H new ATOM 0 HA2 GLY A 35 50.176 -89.077 -13.769 1.00 6.29 H new ATOM 0 HA3 GLY A 35 48.576 -88.824 -14.438 1.00 6.29 H new ATOM 563 N ILE A 36 49.665 -86.114 -13.122 1.00 5.86 N ATOM 564 CA ILE A 36 50.010 -84.710 -13.367 1.00 6.07 C ATOM 565 C ILE A 36 51.535 -84.521 -13.253 1.00 6.36 C ATOM 566 O ILE A 36 52.087 -84.732 -12.172 1.00 6.18 O ATOM 567 CB ILE A 36 49.324 -83.832 -12.311 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.812 -84.153 -12.237 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.507 -82.353 -12.685 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.271 -83.774 -10.854 1.00 9.49 C ATOM 0 H ILE A 36 49.419 -86.328 -12.155 1.00 5.86 H new ATOM 0 HA ILE A 36 49.679 -84.427 -14.366 1.00 6.07 H new ATOM 0 HB ILE A 36 49.776 -84.033 -11.340 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.276 -83.604 -13.011 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.646 -85.214 -12.425 1.00 8.52 H new ATOM 0 HG21 ILE A 36 49.021 -81.726 -11.937 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.570 -82.116 -12.722 1.00 7.36 H new ATOM 0 HG23 ILE A 36 49.060 -82.167 -13.661 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.206 -84.001 -10.805 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.799 -84.343 -10.088 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.423 -82.708 -10.684 1.00 9.49 H new ATOM 582 N PRO A 37 52.243 -84.132 -14.303 1.00 8.65 N ATOM 583 CA PRO A 37 53.724 -83.939 -14.205 1.00 9.18 C ATOM 584 C PRO A 37 54.106 -82.886 -13.132 1.00 9.85 C ATOM 585 O PRO A 37 53.488 -81.824 -13.067 1.00 8.51 O ATOM 586 CB PRO A 37 54.154 -83.489 -15.614 1.00 11.42 C ATOM 587 CG PRO A 37 53.024 -83.873 -16.520 1.00 9.27 C ATOM 588 CD PRO A 37 51.752 -83.851 -15.667 1.00 8.33 C ATOM 0 HA PRO A 37 54.228 -84.853 -13.892 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.334 -82.414 -15.645 1.00 11.42 H new ATOM 0 HB3 PRO A 37 55.081 -83.976 -15.915 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.943 -83.177 -17.355 1.00 9.27 H new ATOM 0 HG3 PRO A 37 53.188 -84.863 -16.946 1.00 9.27 H new ATOM 0 HD2 PRO A 37 51.250 -82.885 -15.721 1.00 8.33 H new ATOM 0 HD3 PRO A 37 51.035 -84.602 -15.998 1.00 8.33 H new ATOM 596 N PRO A 38 55.100 -83.157 -12.287 1.00 8.71 N ATOM 597 CA PRO A 38 55.531 -82.201 -11.208 1.00 9.08 C ATOM 598 C PRO A 38 55.765 -80.760 -11.691 1.00 9.28 C ATOM 599 O PRO A 38 55.576 -79.822 -10.917 1.00 6.50 O ATOM 600 CB PRO A 38 56.848 -82.796 -10.688 1.00 10.31 C ATOM 601 CG PRO A 38 56.755 -84.256 -10.967 1.00 10.81 C ATOM 602 CD PRO A 38 55.914 -84.399 -12.241 1.00 12.00 C ATOM 0 HA PRO A 38 54.747 -82.108 -10.457 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.706 -82.353 -11.193 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.972 -82.606 -9.622 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.746 -84.689 -11.105 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.290 -84.782 -10.133 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.545 -84.494 -13.125 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.283 -85.287 -12.203 1.00 12.00 H new ATOM 610 N ASP A 39 56.197 -80.568 -12.927 1.00 11.20 N ATOM 611 CA ASP A 39 56.465 -79.212 -13.411 1.00 14.96 C ATOM 612 C ASP A 39 55.180 -78.412 -13.619 1.00 13.99 C ATOM 613 O ASP A 39 55.223 -77.188 -13.739 1.00 13.75 O ATOM 614 CB ASP A 39 57.291 -79.253 -14.701 1.00 24.16 C ATOM 615 CG ASP A 39 58.713 -79.721 -14.403 1.00 31.06 C ATOM 616 OD1 ASP A 39 59.164 -79.516 -13.288 1.00 35.55 O ATOM 617 OD2 ASP A 39 59.329 -80.282 -15.295 1.00 34.22 O ATOM 0 H ASP A 39 56.368 -81.311 -13.604 1.00 11.20 H new ATOM 0 HA ASP A 39 57.042 -78.701 -12.640 1.00 14.96 H new ATOM 0 HB2 ASP A 39 56.823 -79.925 -15.420 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.314 -78.264 -15.158 1.00 24.16 H new ATOM 622 N GLN A 40 54.038 -79.098 -13.673 1.00 11.60 N ATOM 623 CA GLN A 40 52.752 -78.419 -13.882 1.00 10.76 C ATOM 624 C GLN A 40 51.991 -78.233 -12.572 1.00 8.01 C ATOM 625 O GLN A 40 50.862 -77.743 -12.568 1.00 8.96 O ATOM 626 CB GLN A 40 51.881 -79.216 -14.855 1.00 11.14 C ATOM 627 CG GLN A 40 52.490 -79.150 -16.252 1.00 14.85 C ATOM 628 CD GLN A 40 51.593 -79.876 -17.249 1.00 16.11 C ATOM 629 OE1 GLN A 40 50.899 -80.826 -16.885 1.00 20.52 O ATOM 630 NE2 GLN A 40 51.563 -79.482 -18.492 1.00 18.16 N ATOM 0 H GLN A 40 53.973 -80.111 -13.577 1.00 11.60 H new ATOM 0 HA GLN A 40 52.972 -77.436 -14.298 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.806 -80.253 -14.528 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.869 -78.812 -14.868 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.615 -78.110 -16.554 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.482 -79.602 -16.247 1.00 14.85 H new ATOM 0 HE21 GLN A 40 52.139 -78.695 -18.792 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.964 -79.961 -19.164 1.00 18.16 H new ATOM 639 N GLN A 41 52.594 -78.661 -11.469 1.00 6.52 N ATOM 640 CA GLN A 41 51.939 -78.574 -10.158 1.00 3.87 C ATOM 641 C GLN A 41 52.535 -77.506 -9.236 1.00 4.79 C ATOM 642 O GLN A 41 53.752 -77.366 -9.117 1.00 6.34 O ATOM 643 CB GLN A 41 52.064 -79.932 -9.460 1.00 4.20 C ATOM 644 CG GLN A 41 51.118 -80.942 -10.099 1.00 3.20 C ATOM 645 CD GLN A 41 51.210 -82.268 -9.350 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.841 -82.347 -8.180 1.00 5.21 O ATOM 647 NE2 GLN A 41 51.686 -83.319 -9.960 1.00 7.13 N ATOM 0 H GLN A 41 53.528 -79.070 -11.450 1.00 6.52 H new ATOM 0 HA GLN A 41 50.902 -78.293 -10.344 1.00 3.87 H new ATOM 0 HB2 GLN A 41 53.091 -80.291 -9.528 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.833 -79.827 -8.400 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.095 -80.567 -10.071 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.377 -81.086 -11.148 1.00 3.20 H new ATOM 0 HE21 GLN A 41 51.991 -83.251 -10.931 1.00 7.13 H new ATOM 0 HE22 GLN A 41 51.753 -84.209 -9.466 1.00 7.13 H new ATOM 656 N ARG A 42 51.636 -76.809 -8.532 1.00 5.73 N ATOM 657 CA ARG A 42 52.011 -75.798 -7.540 1.00 6.97 C ATOM 658 C ARG A 42 51.319 -76.144 -6.222 1.00 7.15 C ATOM 659 O ARG A 42 50.099 -76.285 -6.182 1.00 7.33 O ATOM 660 CB ARG A 42 51.592 -74.393 -7.975 1.00 13.23 C ATOM 661 CG ARG A 42 52.486 -73.902 -9.109 1.00 21.27 C ATOM 662 CD ARG A 42 52.043 -72.497 -9.522 1.00 26.14 C ATOM 663 NE ARG A 42 52.879 -71.995 -10.608 1.00 32.26 N ATOM 664 CZ ARG A 42 52.995 -70.691 -10.837 1.00 34.32 C ATOM 665 NH1 ARG A 42 52.235 -69.846 -10.195 1.00 35.30 N ATOM 666 NH2 ARG A 42 53.868 -70.254 -11.704 1.00 36.39 N ATOM 0 H ARG A 42 50.629 -76.931 -8.635 1.00 5.73 H new ATOM 0 HA ARG A 42 53.095 -75.801 -7.431 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.552 -74.401 -8.300 1.00 13.23 H new ATOM 0 HB3 ARG A 42 51.657 -73.708 -7.129 1.00 13.23 H new ATOM 0 HG2 ARG A 42 53.528 -73.889 -8.788 1.00 21.27 H new ATOM 0 HG3 ARG A 42 52.423 -74.581 -9.959 1.00 21.27 H new ATOM 0 HD2 ARG A 42 51.000 -72.516 -9.838 1.00 26.14 H new ATOM 0 HD3 ARG A 42 52.105 -71.824 -8.667 1.00 26.14 H new ATOM 0 HE ARG A 42 53.382 -72.655 -11.201 1.00 32.26 H new ATOM 0 HH11 ARG A 42 51.552 -70.187 -9.518 1.00 35.30 H new ATOM 0 HH12 ARG A 42 52.324 -68.845 -10.370 1.00 35.30 H new ATOM 0 HH21 ARG A 42 54.462 -70.914 -12.206 1.00 36.39 H new ATOM 0 HH22 ARG A 42 53.956 -69.253 -11.879 1.00 36.39 H new ATOM 680 N LEU A 43 52.089 -76.299 -5.146 1.00 4.65 N ATOM 681 CA LEU A 43 51.524 -76.652 -3.836 1.00 3.51 C ATOM 682 C LEU A 43 51.523 -75.449 -2.903 1.00 5.56 C ATOM 683 O LEU A 43 52.533 -74.765 -2.740 1.00 4.19 O ATOM 684 CB LEU A 43 52.340 -77.803 -3.232 1.00 3.74 C ATOM 685 CG LEU A 43 52.130 -79.114 -4.004 1.00 6.32 C ATOM 686 CD1 LEU A 43 53.126 -80.151 -3.478 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.698 -79.639 -3.790 1.00 6.41 C ATOM 0 H LEU A 43 53.103 -76.187 -5.151 1.00 4.65 H new ATOM 0 HA LEU A 43 50.489 -76.969 -3.966 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.398 -77.542 -3.239 1.00 3.74 H new ATOM 0 HB3 LEU A 43 52.054 -77.944 -2.190 1.00 3.74 H new ATOM 0 HG LEU A 43 52.284 -78.936 -5.068 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.992 -81.090 -4.015 1.00 9.55 H new ATOM 0 HD12 LEU A 43 54.143 -79.789 -3.630 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.954 -80.314 -2.414 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.565 -80.569 -4.343 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.532 -79.822 -2.728 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.982 -78.899 -4.147 1.00 6.41 H new ATOM 699 N ILE A 44 50.362 -75.202 -2.296 1.00 4.58 N ATOM 700 CA ILE A 44 50.188 -74.080 -1.371 1.00 5.55 C ATOM 701 C ILE A 44 49.705 -74.578 -0.009 1.00 5.46 C ATOM 702 O ILE A 44 48.813 -75.422 0.082 1.00 6.04 O ATOM 703 CB ILE A 44 49.157 -73.077 -1.950 1.00 6.80 C ATOM 704 CG1 ILE A 44 49.811 -72.134 -3.001 1.00 10.31 C ATOM 705 CG2 ILE A 44 48.551 -72.211 -0.823 1.00 7.39 C ATOM 706 CD1 ILE A 44 49.690 -72.710 -4.413 1.00 13.90 C ATOM 0 H ILE A 44 49.523 -75.767 -2.429 1.00 4.58 H new ATOM 0 HA ILE A 44 51.150 -73.583 -1.244 1.00 5.55 H new ATOM 0 HB ILE A 44 48.375 -73.663 -2.432 1.00 6.80 H new ATOM 0 HG12 ILE A 44 49.333 -71.155 -2.963 1.00 10.31 H new ATOM 0 HG13 ILE A 44 50.862 -71.985 -2.755 1.00 10.31 H new ATOM 0 HG21 ILE A 44 47.830 -71.513 -1.248 1.00 7.39 H new ATOM 0 HG22 ILE A 44 48.050 -72.854 -0.099 1.00 7.39 H new ATOM 0 HG23 ILE A 44 49.345 -71.654 -0.325 1.00 7.39 H new ATOM 0 HD11 ILE A 44 50.156 -72.029 -5.125 1.00 13.90 H new ATOM 0 HD12 ILE A 44 50.190 -73.677 -4.455 1.00 13.90 H new ATOM 0 HD13 ILE A 44 48.637 -72.835 -4.666 1.00 13.90 H new ATOM 718 N PHE A 45 50.281 -74.002 1.043 1.00 6.75 N ATOM 719 CA PHE A 45 49.893 -74.332 2.411 1.00 4.70 C ATOM 720 C PHE A 45 49.853 -73.054 3.233 1.00 6.34 C ATOM 721 O PHE A 45 50.819 -72.292 3.263 1.00 5.45 O ATOM 722 CB PHE A 45 50.869 -75.331 3.031 1.00 5.51 C ATOM 723 CG PHE A 45 50.470 -75.608 4.463 1.00 5.98 C ATOM 724 CD1 PHE A 45 49.404 -76.473 4.738 1.00 6.86 C ATOM 725 CD2 PHE A 45 51.169 -75.003 5.515 1.00 5.87 C ATOM 726 CE1 PHE A 45 49.036 -76.732 6.064 1.00 6.68 C ATOM 727 CE2 PHE A 45 50.801 -75.262 6.840 1.00 6.64 C ATOM 728 CZ PHE A 45 49.734 -76.126 7.115 1.00 6.84 C ATOM 0 H PHE A 45 51.020 -73.303 0.973 1.00 6.75 H new ATOM 0 HA PHE A 45 48.907 -74.796 2.400 1.00 4.70 H new ATOM 0 HB2 PHE A 45 50.870 -76.258 2.457 1.00 5.51 H new ATOM 0 HB3 PHE A 45 51.883 -74.933 2.996 1.00 5.51 H new ATOM 0 HD1 PHE A 45 48.865 -76.941 3.927 1.00 6.86 H new ATOM 0 HD2 PHE A 45 51.992 -74.337 5.304 1.00 5.87 H new ATOM 0 HE1 PHE A 45 48.214 -77.399 6.276 1.00 6.68 H new ATOM 0 HE2 PHE A 45 51.340 -74.795 7.651 1.00 6.64 H new ATOM 0 HZ PHE A 45 49.450 -76.325 8.138 1.00 6.84 H new ATOM 738 N ALA A 46 48.731 -72.823 3.894 1.00 6.53 N ATOM 739 CA ALA A 46 48.562 -71.635 4.714 1.00 7.15 C ATOM 740 C ALA A 46 48.946 -70.368 3.948 1.00 9.00 C ATOM 741 O ALA A 46 49.500 -69.428 4.518 1.00 11.15 O ATOM 742 CB ALA A 46 49.380 -71.773 5.999 1.00 8.99 C ATOM 0 H ALA A 46 47.922 -73.444 3.879 1.00 6.53 H new ATOM 0 HA ALA A 46 47.508 -71.542 4.977 1.00 7.15 H new ATOM 0 HB1 ALA A 46 49.250 -70.880 6.611 1.00 8.99 H new ATOM 0 HB2 ALA A 46 49.039 -72.646 6.555 1.00 8.99 H new ATOM 0 HB3 ALA A 46 50.434 -71.891 5.748 1.00 8.99 H new ATOM 748 N GLY A 47 48.586 -70.332 2.662 1.00 9.35 N ATOM 749 CA GLY A 47 48.834 -69.149 1.835 1.00 11.68 C ATOM 750 C GLY A 47 50.252 -69.048 1.264 1.00 11.14 C ATOM 751 O GLY A 47 50.554 -68.077 0.571 1.00 13.93 O ATOM 0 H GLY A 47 48.126 -71.101 2.175 1.00 9.35 H new ATOM 0 HA2 GLY A 47 48.124 -69.146 1.008 1.00 11.68 H new ATOM 0 HA3 GLY A 47 48.633 -68.258 2.431 1.00 11.68 H new ATOM 755 N LYS A 48 51.133 -70.015 1.551 1.00 10.47 N ATOM 756 CA LYS A 48 52.516 -69.949 1.042 1.00 8.82 C ATOM 757 C LYS A 48 52.794 -71.045 0.009 1.00 7.68 C ATOM 758 O LYS A 48 52.391 -72.193 0.187 1.00 6.47 O ATOM 759 CB LYS A 48 53.505 -70.129 2.195 1.00 9.74 C ATOM 760 CG LYS A 48 53.149 -69.185 3.348 1.00 14.14 C ATOM 761 CD LYS A 48 54.147 -69.368 4.499 1.00 16.32 C ATOM 762 CE LYS A 48 54.010 -70.772 5.105 1.00 20.04 C ATOM 763 NZ LYS A 48 54.532 -70.761 6.501 1.00 23.92 N ATOM 0 H LYS A 48 50.924 -70.836 2.119 1.00 10.47 H new ATOM 0 HA LYS A 48 52.638 -68.974 0.571 1.00 8.82 H new ATOM 0 HB2 LYS A 48 53.487 -71.162 2.542 1.00 9.74 H new ATOM 0 HB3 LYS A 48 54.519 -69.927 1.849 1.00 9.74 H new ATOM 0 HG2 LYS A 48 53.165 -68.152 3.002 1.00 14.14 H new ATOM 0 HG3 LYS A 48 52.137 -69.388 3.697 1.00 14.14 H new ATOM 0 HD2 LYS A 48 55.164 -69.219 4.135 1.00 16.32 H new ATOM 0 HD3 LYS A 48 53.970 -68.614 5.266 1.00 16.32 H new ATOM 0 HE2 LYS A 48 52.965 -71.083 5.098 1.00 20.04 H new ATOM 0 HE3 LYS A 48 54.562 -71.495 4.504 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 54.440 -71.711 6.913 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 55.534 -70.482 6.495 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 53.987 -70.082 7.070 1.00 23.92 H new ATOM 777 N GLN A 49 53.519 -70.684 -1.054 1.00 8.89 N ATOM 778 CA GLN A 49 53.882 -71.653 -2.089 1.00 7.18 C ATOM 779 C GLN A 49 55.067 -72.463 -1.568 1.00 8.23 C ATOM 780 O GLN A 49 56.056 -71.897 -1.101 1.00 9.70 O ATOM 781 CB GLN A 49 54.233 -70.905 -3.378 1.00 11.67 C ATOM 782 CG GLN A 49 54.311 -71.884 -4.554 1.00 15.82 C ATOM 783 CD GLN A 49 54.413 -71.114 -5.868 1.00 20.21 C ATOM 784 OE1 GLN A 49 53.406 -70.633 -6.386 1.00 23.23 O ATOM 785 NE2 GLN A 49 55.577 -70.970 -6.441 1.00 20.67 N ATOM 0 H GLN A 49 53.862 -69.738 -1.219 1.00 8.89 H new ATOM 0 HA GLN A 49 53.057 -72.329 -2.314 1.00 7.18 H new ATOM 0 HB2 GLN A 49 53.482 -70.142 -3.580 1.00 11.67 H new ATOM 0 HB3 GLN A 49 55.187 -70.390 -3.260 1.00 11.67 H new ATOM 0 HG2 GLN A 49 55.176 -72.537 -4.438 1.00 15.82 H new ATOM 0 HG3 GLN A 49 53.428 -72.523 -4.565 1.00 15.82 H new ATOM 0 HE21 GLN A 49 56.411 -71.370 -6.010 1.00 20.67 H new ATOM 0 HE22 GLN A 49 55.653 -70.458 -7.320 1.00 20.67 H new ATOM 794 N LEU A 50 54.959 -73.786 -1.629 1.00 6.51 N ATOM 795 CA LEU A 50 56.025 -74.658 -1.137 1.00 7.41 C ATOM 796 C LEU A 50 57.079 -74.922 -2.216 1.00 8.27 C ATOM 797 O LEU A 50 56.748 -75.159 -3.378 1.00 8.34 O ATOM 798 CB LEU A 50 55.419 -75.983 -0.670 1.00 7.13 C ATOM 799 CG LEU A 50 54.255 -75.711 0.290 1.00 7.53 C ATOM 800 CD1 LEU A 50 53.602 -77.038 0.684 1.00 8.14 C ATOM 801 CD2 LEU A 50 54.768 -74.994 1.547 1.00 9.11 C ATOM 0 H LEU A 50 54.151 -74.277 -2.011 1.00 6.51 H new ATOM 0 HA LEU A 50 56.519 -74.158 -0.304 1.00 7.41 H new ATOM 0 HB2 LEU A 50 55.068 -76.556 -1.528 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.179 -76.586 -0.173 1.00 7.13 H new ATOM 0 HG LEU A 50 53.521 -75.075 -0.205 1.00 7.53 H new ATOM 0 HD11 LEU A 50 52.774 -76.847 1.367 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.228 -77.539 -0.209 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.338 -77.674 1.175 1.00 8.14 H new ATOM 0 HD21 LEU A 50 53.935 -74.805 2.224 1.00 9.11 H new ATOM 0 HD22 LEU A 50 55.506 -75.620 2.047 1.00 9.11 H new ATOM 0 HD23 LEU A 50 55.228 -74.047 1.264 1.00 9.11 H new ATOM 813 N GLU A 51 58.360 -74.861 -1.820 1.00 9.43 N ATOM 814 CA GLU A 51 59.465 -75.080 -2.768 1.00 11.90 C ATOM 815 C GLU A 51 59.890 -76.548 -2.824 1.00 11.49 C ATOM 816 O GLU A 51 59.745 -77.291 -1.855 1.00 9.88 O ATOM 817 CB GLU A 51 60.664 -74.201 -2.406 1.00 16.56 C ATOM 818 CG GLU A 51 60.330 -72.737 -2.695 1.00 26.06 C ATOM 819 CD GLU A 51 61.519 -71.850 -2.338 1.00 29.86 C ATOM 820 OE1 GLU A 51 62.446 -72.354 -1.726 1.00 32.13 O ATOM 821 OE2 GLU A 51 61.484 -70.679 -2.682 1.00 33.44 O ATOM 0 H GLU A 51 58.654 -74.665 -0.863 1.00 9.43 H new ATOM 0 HA GLU A 51 59.101 -74.803 -3.757 1.00 11.90 H new ATOM 0 HB2 GLU A 51 60.915 -74.326 -1.353 1.00 16.56 H new ATOM 0 HB3 GLU A 51 61.538 -74.506 -2.981 1.00 16.56 H new ATOM 0 HG2 GLU A 51 60.077 -72.614 -3.748 1.00 26.06 H new ATOM 0 HG3 GLU A 51 59.455 -72.435 -2.120 1.00 26.06 H new ATOM 828 N ASP A 52 60.377 -76.954 -4.001 1.00 12.71 N ATOM 829 CA ASP A 52 60.780 -78.344 -4.229 1.00 16.56 C ATOM 830 C ASP A 52 62.035 -78.757 -3.442 1.00 15.83 C ATOM 831 O ASP A 52 62.278 -79.950 -3.256 1.00 17.21 O ATOM 832 CB ASP A 52 61.008 -78.567 -5.724 1.00 21.05 C ATOM 833 CG ASP A 52 59.680 -78.464 -6.461 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.747 -77.938 -5.879 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.615 -78.912 -7.594 1.00 25.82 O ATOM 0 H ASP A 52 60.501 -76.342 -4.807 1.00 12.71 H new ATOM 0 HA ASP A 52 59.968 -78.973 -3.864 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.709 -77.827 -6.110 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.454 -79.547 -5.892 1.00 21.05 H new ATOM 840 N GLY A 53 62.840 -77.796 -2.995 1.00 15.00 N ATOM 841 CA GLY A 53 64.071 -78.118 -2.249 1.00 11.77 C ATOM 842 C GLY A 53 63.871 -78.110 -0.725 1.00 11.10 C ATOM 843 O GLY A 53 64.829 -78.307 0.022 1.00 11.25 O ATOM 0 H GLY A 53 62.673 -76.799 -3.130 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.429 -79.100 -2.557 1.00 11.77 H new ATOM 0 HA3 GLY A 53 64.847 -77.399 -2.512 1.00 11.77 H new ATOM 847 N ARG A 54 62.644 -77.895 -0.266 1.00 8.53 N ATOM 848 CA ARG A 54 62.364 -77.882 1.187 1.00 9.05 C ATOM 849 C ARG A 54 61.537 -79.111 1.608 1.00 8.96 C ATOM 850 O ARG A 54 60.978 -79.811 0.762 1.00 11.60 O ATOM 851 CB ARG A 54 61.584 -76.618 1.534 1.00 7.97 C ATOM 852 CG ARG A 54 62.387 -75.338 1.245 1.00 9.62 C ATOM 853 CD ARG A 54 63.729 -75.334 1.986 1.00 12.20 C ATOM 854 NE ARG A 54 64.278 -73.982 2.015 1.00 18.23 N ATOM 855 CZ ARG A 54 64.939 -73.482 0.974 1.00 22.08 C ATOM 856 NH1 ARG A 54 65.605 -74.275 0.178 1.00 25.50 N ATOM 857 NH2 ARG A 54 64.923 -72.197 0.748 1.00 23.38 N ATOM 0 H ARG A 54 61.830 -77.728 -0.858 1.00 8.53 H new ATOM 0 HA ARG A 54 63.315 -77.906 1.719 1.00 9.05 H new ATOM 0 HB2 ARG A 54 60.656 -76.598 0.963 1.00 7.97 H new ATOM 0 HB3 ARG A 54 61.309 -76.641 2.589 1.00 7.97 H new ATOM 0 HG2 ARG A 54 62.563 -75.252 0.173 1.00 9.62 H new ATOM 0 HG3 ARG A 54 61.804 -74.467 1.543 1.00 9.62 H new ATOM 0 HD2 ARG A 54 63.594 -75.702 3.003 1.00 12.20 H new ATOM 0 HD3 ARG A 54 64.428 -76.009 1.493 1.00 12.20 H new ATOM 0 HE ARG A 54 64.153 -73.409 2.850 1.00 18.23 H new ATOM 0 HH11 ARG A 54 65.619 -75.280 0.354 1.00 25.50 H new ATOM 0 HH12 ARG A 54 66.111 -73.890 -0.619 1.00 25.50 H new ATOM 0 HH21 ARG A 54 64.404 -71.576 1.369 1.00 23.38 H new ATOM 0 HH22 ARG A 54 65.430 -71.813 -0.050 1.00 23.38 H new ATOM 871 N THR A 55 61.465 -79.371 2.933 1.00 9.05 N ATOM 872 CA THR A 55 60.698 -80.517 3.466 1.00 9.03 C ATOM 873 C THR A 55 59.411 -80.070 4.164 1.00 8.15 C ATOM 874 O THR A 55 59.220 -78.895 4.469 1.00 5.91 O ATOM 875 CB THR A 55 61.501 -81.306 4.505 1.00 11.15 C ATOM 876 OG1 THR A 55 61.764 -80.483 5.633 1.00 11.95 O ATOM 877 CG2 THR A 55 62.821 -81.779 3.894 1.00 11.71 C ATOM 0 H THR A 55 61.925 -78.807 3.647 1.00 9.05 H new ATOM 0 HA THR A 55 60.471 -81.136 2.598 1.00 9.03 H new ATOM 0 HB THR A 55 60.922 -82.174 4.819 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.397 -80.905 6.438 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.387 -82.339 4.639 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.616 -82.420 3.036 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.402 -80.916 3.571 1.00 11.71 H new ATOM 885 N LEU A 56 58.545 -81.056 4.433 1.00 6.91 N ATOM 886 CA LEU A 56 57.278 -80.797 5.131 1.00 8.29 C ATOM 887 C LEU A 56 57.528 -80.200 6.516 1.00 8.05 C ATOM 888 O LEU A 56 56.822 -79.280 6.928 1.00 10.17 O ATOM 889 CB LEU A 56 56.475 -82.095 5.313 1.00 6.60 C ATOM 890 CG LEU A 56 56.100 -82.715 3.963 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.464 -84.086 4.213 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.093 -81.823 3.226 1.00 8.64 C ATOM 0 H LEU A 56 58.696 -82.033 4.181 1.00 6.91 H new ATOM 0 HA LEU A 56 56.716 -80.093 4.517 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.061 -82.809 5.893 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.570 -81.888 5.884 1.00 6.60 H new ATOM 0 HG LEU A 56 56.997 -82.814 3.351 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.192 -84.540 3.260 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.176 -84.729 4.731 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.571 -83.966 4.826 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.837 -82.277 2.269 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.192 -81.716 3.830 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.534 -80.841 3.055 1.00 8.64 H new ATOM 904 N SER A 57 58.509 -80.736 7.254 1.00 8.92 N ATOM 905 CA SER A 57 58.765 -80.224 8.600 1.00 9.00 C ATOM 906 C SER A 57 59.175 -78.754 8.582 1.00 9.44 C ATOM 907 O SER A 57 58.907 -78.019 9.532 1.00 10.91 O ATOM 908 CB SER A 57 59.829 -81.048 9.327 1.00 10.32 C ATOM 909 OG SER A 57 61.047 -80.980 8.598 1.00 13.59 O ATOM 0 H SER A 57 59.118 -81.497 6.953 1.00 8.92 H new ATOM 0 HA SER A 57 57.825 -80.313 9.144 1.00 9.00 H new ATOM 0 HB2 SER A 57 59.974 -80.667 10.338 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.504 -82.084 9.420 1.00 10.32 H new ATOM 0 HG SER A 57 61.734 -81.505 9.059 1.00 13.59 H new ATOM 915 N ASP A 58 59.824 -78.330 7.513 1.00 9.11 N ATOM 916 CA ASP A 58 60.263 -76.942 7.410 1.00 7.91 C ATOM 917 C ASP A 58 59.063 -75.999 7.430 1.00 9.12 C ATOM 918 O ASP A 58 59.169 -74.856 7.874 1.00 8.61 O ATOM 919 CB ASP A 58 61.054 -76.739 6.116 1.00 8.41 C ATOM 920 CG ASP A 58 62.388 -77.472 6.196 1.00 11.50 C ATOM 921 OD1 ASP A 58 62.815 -77.767 7.300 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.964 -77.729 5.151 1.00 11.70 O ATOM 0 H ASP A 58 60.059 -78.915 6.711 1.00 9.11 H new ATOM 0 HA ASP A 58 60.902 -76.717 8.264 1.00 7.91 H new ATOM 0 HB2 ASP A 58 60.478 -77.108 5.267 1.00 8.41 H new ATOM 0 HB3 ASP A 58 61.224 -75.676 5.948 1.00 8.41 H new ATOM 927 N TYR A 59 57.920 -76.487 6.943 1.00 7.97 N ATOM 928 CA TYR A 59 56.693 -75.684 6.903 1.00 8.45 C ATOM 929 C TYR A 59 55.758 -76.026 8.060 1.00 10.98 C ATOM 930 O TYR A 59 54.587 -75.646 8.052 1.00 12.95 O ATOM 931 CB TYR A 59 55.947 -75.915 5.590 1.00 7.94 C ATOM 932 CG TYR A 59 56.706 -75.266 4.463 1.00 6.91 C ATOM 933 CD1 TYR A 59 56.614 -73.883 4.270 1.00 4.59 C ATOM 934 CD2 TYR A 59 57.494 -76.041 3.611 1.00 6.98 C ATOM 935 CE1 TYR A 59 57.312 -73.274 3.221 1.00 5.39 C ATOM 936 CE2 TYR A 59 58.190 -75.433 2.564 1.00 6.52 C ATOM 937 CZ TYR A 59 58.100 -74.051 2.366 1.00 6.76 C ATOM 938 OH TYR A 59 58.790 -73.455 1.330 1.00 7.63 O ATOM 0 H TYR A 59 57.817 -77.431 6.572 1.00 7.97 H new ATOM 0 HA TYR A 59 56.992 -74.639 6.987 1.00 8.45 H new ATOM 0 HB2 TYR A 59 55.840 -76.983 5.403 1.00 7.94 H new ATOM 0 HB3 TYR A 59 54.941 -75.500 5.652 1.00 7.94 H new ATOM 0 HD1 TYR A 59 56.004 -73.285 4.931 1.00 4.59 H new ATOM 0 HD2 TYR A 59 57.565 -77.108 3.761 1.00 6.98 H new ATOM 0 HE1 TYR A 59 57.242 -72.207 3.072 1.00 5.39 H new ATOM 0 HE2 TYR A 59 58.800 -76.032 1.904 1.00 6.52 H new ATOM 0 HH TYR A 59 59.465 -74.077 0.986 1.00 7.63 H new ATOM 948 N ASN A 60 56.276 -76.746 9.057 1.00 12.38 N ATOM 949 CA ASN A 60 55.497 -77.145 10.224 1.00 13.94 C ATOM 950 C ASN A 60 54.171 -77.792 9.834 1.00 14.16 C ATOM 951 O ASN A 60 53.151 -77.573 10.487 1.00 14.26 O ATOM 952 CB ASN A 60 55.239 -75.948 11.139 1.00 19.23 C ATOM 953 CG ASN A 60 56.564 -75.366 11.618 1.00 22.65 C ATOM 954 OD1 ASN A 60 57.426 -76.099 12.101 1.00 25.45 O ATOM 955 ND2 ASN A 60 56.779 -74.083 11.514 1.00 24.09 N ATOM 0 H ASN A 60 57.244 -77.066 9.076 1.00 12.38 H new ATOM 0 HA ASN A 60 56.088 -77.887 10.760 1.00 13.94 H new ATOM 0 HB2 ASN A 60 54.669 -75.187 10.605 1.00 19.23 H new ATOM 0 HB3 ASN A 60 54.637 -76.256 11.994 1.00 19.23 H new ATOM 0 HD21 ASN A 60 57.663 -73.686 11.833 1.00 24.09 H new ATOM 0 HD22 ASN A 60 56.063 -73.477 11.113 1.00 24.09 H new ATOM 962 N ILE A 61 54.196 -78.618 8.791 1.00 11.08 N ATOM 963 CA ILE A 61 52.985 -79.318 8.364 1.00 11.78 C ATOM 964 C ILE A 61 52.816 -80.531 9.273 1.00 13.74 C ATOM 965 O ILE A 61 53.717 -81.362 9.388 1.00 14.60 O ATOM 966 CB ILE A 61 53.100 -79.694 6.880 1.00 11.80 C ATOM 967 CG1 ILE A 61 53.140 -78.405 6.056 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.891 -80.528 6.445 1.00 13.29 C ATOM 969 CD1 ILE A 61 53.408 -78.725 4.585 1.00 11.42 C ATOM 0 H ILE A 61 55.026 -78.818 8.233 1.00 11.08 H new ATOM 0 HA ILE A 61 52.099 -78.690 8.452 1.00 11.78 H new ATOM 0 HB ILE A 61 54.005 -80.280 6.724 1.00 11.80 H new ATOM 0 HG12 ILE A 61 52.193 -77.873 6.153 1.00 11.56 H new ATOM 0 HG13 ILE A 61 53.917 -77.744 6.439 1.00 11.56 H new ATOM 0 HG21 ILE A 61 51.988 -80.786 5.391 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.846 -81.440 7.040 1.00 13.29 H new ATOM 0 HG23 ILE A 61 50.978 -79.951 6.595 1.00 13.29 H new ATOM 0 HD11 ILE A 61 53.434 -77.799 4.010 1.00 11.42 H new ATOM 0 HD12 ILE A 61 54.366 -79.236 4.493 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.615 -79.368 4.202 1.00 11.42 H new ATOM 981 N GLN A 62 51.672 -80.595 9.965 1.00 13.97 N ATOM 982 CA GLN A 62 51.389 -81.666 10.927 1.00 15.52 C ATOM 983 C GLN A 62 50.344 -82.649 10.400 1.00 13.94 C ATOM 984 O GLN A 62 49.710 -82.418 9.371 1.00 12.15 O ATOM 985 CB GLN A 62 50.893 -81.024 12.222 1.00 19.53 C ATOM 986 CG GLN A 62 52.055 -80.293 12.899 1.00 26.38 C ATOM 987 CD GLN A 62 51.571 -79.599 14.167 1.00 30.61 C ATOM 988 OE1 GLN A 62 51.247 -80.260 15.154 1.00 33.23 O ATOM 989 NE2 GLN A 62 51.503 -78.297 14.198 1.00 32.71 N ATOM 0 H GLN A 62 50.921 -79.911 9.875 1.00 13.97 H new ATOM 0 HA GLN A 62 52.303 -82.234 11.099 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.083 -80.326 12.009 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.490 -81.786 12.889 1.00 19.53 H new ATOM 0 HG2 GLN A 62 52.847 -81.001 13.143 1.00 26.38 H new ATOM 0 HG3 GLN A 62 52.482 -79.560 12.214 1.00 26.38 H new ATOM 0 HE21 GLN A 62 51.772 -77.753 13.379 1.00 32.71 H new ATOM 0 HE22 GLN A 62 51.181 -77.823 15.042 1.00 32.71 H new ATOM 998 N LYS A 63 50.204 -83.763 11.116 1.00 11.73 N ATOM 999 CA LYS A 63 49.257 -84.788 10.688 1.00 11.97 C ATOM 1000 C LYS A 63 47.872 -84.199 10.418 1.00 10.41 C ATOM 1001 O LYS A 63 47.407 -83.301 11.121 1.00 9.59 O ATOM 1002 CB LYS A 63 49.120 -85.921 11.708 1.00 13.73 C ATOM 1003 CG LYS A 63 48.735 -85.328 13.065 1.00 16.98 C ATOM 1004 CD LYS A 63 48.739 -86.430 14.126 1.00 20.19 C ATOM 1005 CE LYS A 63 48.357 -85.833 15.482 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.139 -86.932 16.464 1.00 25.97 N ATOM 0 H LYS A 63 50.718 -83.975 11.971 1.00 11.73 H new ATOM 0 HA LYS A 63 49.666 -85.198 9.764 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.363 -86.633 11.380 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.059 -86.469 11.790 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.436 -84.541 13.341 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.748 -84.869 13.006 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.036 -87.216 13.852 1.00 20.19 H new ATOM 0 HD3 LYS A 63 49.725 -86.890 14.184 1.00 20.19 H new ATOM 0 HE2 LYS A 63 49.145 -85.168 15.834 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.453 -85.232 15.385 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.879 -86.527 17.386 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 47.373 -87.550 16.129 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 49.013 -87.487 16.563 1.00 25.97 H new ATOM 1020 N GLU A 64 47.241 -84.717 9.367 1.00 10.04 N ATOM 1021 CA GLU A 64 45.916 -84.274 8.932 1.00 10.94 C ATOM 1022 C GLU A 64 45.911 -82.843 8.407 1.00 9.74 C ATOM 1023 O GLU A 64 44.857 -82.210 8.344 1.00 9.42 O ATOM 1024 CB GLU A 64 44.832 -84.404 10.004 1.00 18.31 C ATOM 1025 CG GLU A 64 44.632 -85.881 10.347 1.00 24.16 C ATOM 1026 CD GLU A 64 43.402 -86.041 11.235 1.00 29.00 C ATOM 1027 OE1 GLU A 64 42.952 -85.045 11.776 1.00 31.72 O ATOM 1028 OE2 GLU A 64 42.927 -87.158 11.360 1.00 32.61 O ATOM 0 H GLU A 64 47.635 -85.460 8.789 1.00 10.04 H new ATOM 0 HA GLU A 64 45.675 -84.959 8.119 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.119 -83.848 10.896 1.00 18.31 H new ATOM 0 HB3 GLU A 64 43.897 -83.973 9.646 1.00 18.31 H new ATOM 0 HG2 GLU A 64 44.511 -86.463 9.433 1.00 24.16 H new ATOM 0 HG3 GLU A 64 45.514 -86.268 10.857 1.00 24.16 H new ATOM 1035 N SER A 65 47.058 -82.356 7.959 1.00 6.85 N ATOM 1036 CA SER A 65 47.140 -81.032 7.359 1.00 6.90 C ATOM 1037 C SER A 65 46.585 -81.121 5.945 1.00 4.72 C ATOM 1038 O SER A 65 46.707 -82.156 5.291 1.00 3.91 O ATOM 1039 CB SER A 65 48.590 -80.560 7.329 1.00 7.28 C ATOM 1040 OG SER A 65 49.008 -80.230 8.646 1.00 10.56 O ATOM 0 H SER A 65 47.945 -82.857 7.999 1.00 6.85 H new ATOM 0 HA SER A 65 46.563 -80.315 7.943 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.229 -81.341 6.918 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.688 -79.692 6.677 1.00 7.28 H new ATOM 0 HG SER A 65 48.966 -81.029 9.212 1.00 10.56 H new ATOM 1046 N THR A 66 45.979 -80.029 5.464 1.00 4.48 N ATOM 1047 CA THR A 66 45.416 -79.990 4.115 1.00 3.80 C ATOM 1048 C THR A 66 46.216 -79.013 3.256 1.00 4.60 C ATOM 1049 O THR A 66 46.328 -77.830 3.577 1.00 5.33 O ATOM 1050 CB THR A 66 43.954 -79.537 4.156 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.200 -80.446 4.946 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.386 -79.505 2.735 1.00 3.40 C ATOM 0 H THR A 66 45.867 -79.163 5.991 1.00 4.48 H new ATOM 0 HA THR A 66 45.467 -80.992 3.689 1.00 3.80 H new ATOM 0 HB THR A 66 43.896 -78.539 4.591 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.264 -80.156 4.975 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.345 -79.182 2.766 1.00 3.40 H new ATOM 0 HG22 THR A 66 43.964 -78.808 2.128 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.444 -80.502 2.298 1.00 3.40 H new ATOM 1060 N LEU A 67 46.725 -79.515 2.135 1.00 4.17 N ATOM 1061 CA LEU A 67 47.467 -78.690 1.184 1.00 3.85 C ATOM 1062 C LEU A 67 46.563 -78.438 -0.009 1.00 3.80 C ATOM 1063 O LEU A 67 45.633 -79.201 -0.273 1.00 5.54 O ATOM 1064 CB LEU A 67 48.728 -79.401 0.688 1.00 7.18 C ATOM 1065 CG LEU A 67 49.595 -79.882 1.870 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.171 -81.280 2.336 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.067 -79.928 1.443 1.00 11.66 C ATOM 0 H LEU A 67 46.637 -80.494 1.861 1.00 4.17 H new ATOM 0 HA LEU A 67 47.766 -77.765 1.676 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.449 -80.252 0.067 1.00 7.18 H new ATOM 0 HB3 LEU A 67 49.307 -78.725 0.059 1.00 7.18 H new ATOM 0 HG LEU A 67 49.460 -79.181 2.694 1.00 9.67 H new ATOM 0 HD11 LEU A 67 49.800 -81.592 3.170 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.129 -81.256 2.656 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.282 -81.987 1.514 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.678 -80.268 2.279 1.00 11.66 H new ATOM 0 HD22 LEU A 67 51.182 -80.617 0.606 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.389 -78.932 1.140 1.00 11.66 H new ATOM 1079 N HIS A 68 46.852 -77.366 -0.742 1.00 2.94 N ATOM 1080 CA HIS A 68 46.079 -77.015 -1.927 1.00 4.17 C ATOM 1081 C HIS A 68 46.948 -77.193 -3.163 1.00 5.32 C ATOM 1082 O HIS A 68 48.104 -76.769 -3.185 1.00 7.70 O ATOM 1083 CB HIS A 68 45.620 -75.557 -1.839 1.00 5.57 C ATOM 1084 CG HIS A 68 44.598 -75.412 -0.748 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.954 -75.118 0.558 1.00 13.74 N ATOM 1086 CD2 HIS A 68 43.229 -75.518 -0.749 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.824 -75.058 1.284 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.742 -75.294 0.536 1.00 16.30 N ATOM 0 H HIS A 68 47.618 -76.725 -0.534 1.00 2.94 H new ATOM 0 HA HIS A 68 45.205 -77.663 -1.990 1.00 4.17 H new ATOM 0 HB2 HIS A 68 46.473 -74.909 -1.640 1.00 5.57 H new ATOM 0 HB3 HIS A 68 45.196 -75.241 -2.792 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.623 -75.741 -1.614 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.794 -74.845 2.342 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.769 -75.307 0.841 1.00 16.30 H new ATOM 1096 N LEU A 69 46.394 -77.828 -4.192 1.00 5.29 N ATOM 1097 CA LEU A 69 47.128 -78.067 -5.434 1.00 3.97 C ATOM 1098 C LEU A 69 46.601 -77.125 -6.508 1.00 5.07 C ATOM 1099 O LEU A 69 45.391 -77.010 -6.702 1.00 4.34 O ATOM 1100 CB LEU A 69 46.922 -79.523 -5.895 1.00 6.08 C ATOM 1101 CG LEU A 69 47.674 -79.826 -7.199 1.00 7.37 C ATOM 1102 CD1 LEU A 69 49.176 -79.940 -6.936 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.170 -81.153 -7.774 1.00 9.96 C ATOM 0 H LEU A 69 45.439 -78.187 -4.192 1.00 5.29 H new ATOM 0 HA LEU A 69 48.190 -77.891 -5.266 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.263 -80.202 -5.114 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.858 -79.711 -6.038 1.00 6.08 H new ATOM 0 HG LEU A 69 47.496 -79.014 -7.904 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.694 -80.155 -7.871 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.546 -79.001 -6.524 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.361 -80.746 -6.225 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.701 -81.373 -8.700 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.348 -81.952 -7.055 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.102 -81.079 -7.977 1.00 9.96 H new ATOM 1115 N VAL A 70 47.522 -76.463 -7.228 1.00 4.29 N ATOM 1116 CA VAL A 70 47.197 -75.542 -8.311 1.00 6.26 C ATOM 1117 C VAL A 70 47.858 -76.069 -9.578 1.00 9.22 C ATOM 1118 O VAL A 70 48.944 -76.644 -9.539 1.00 9.36 O ATOM 1119 CB VAL A 70 47.708 -74.139 -7.947 1.00 8.69 C ATOM 1120 CG1 VAL A 70 47.996 -73.297 -9.198 1.00 9.76 C ATOM 1121 CG2 VAL A 70 46.676 -73.415 -7.096 1.00 8.54 C ATOM 0 H VAL A 70 48.524 -76.559 -7.066 1.00 4.29 H new ATOM 0 HA VAL A 70 46.121 -75.472 -8.472 1.00 6.26 H new ATOM 0 HB VAL A 70 48.637 -74.265 -7.391 1.00 8.69 H new ATOM 0 HG11 VAL A 70 48.355 -72.312 -8.899 1.00 9.76 H new ATOM 0 HG12 VAL A 70 48.756 -73.792 -9.803 1.00 9.76 H new ATOM 0 HG13 VAL A 70 47.082 -73.188 -9.782 1.00 9.76 H new ATOM 0 HG21 VAL A 70 47.046 -72.422 -6.842 1.00 8.54 H new ATOM 0 HG22 VAL A 70 45.744 -73.324 -7.654 1.00 8.54 H new ATOM 0 HG23 VAL A 70 46.498 -73.980 -6.181 1.00 8.54 H new ATOM 1131 N LEU A 71 47.176 -75.877 -10.694 1.00 12.71 N ATOM 1132 CA LEU A 71 47.666 -76.340 -11.995 1.00 16.06 C ATOM 1133 C LEU A 71 48.075 -75.159 -12.865 1.00 18.09 C ATOM 1134 O LEU A 71 47.410 -74.123 -12.881 1.00 19.26 O ATOM 1135 CB LEU A 71 46.573 -77.141 -12.706 1.00 17.10 C ATOM 1136 CG LEU A 71 46.008 -78.206 -11.759 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.917 -79.000 -12.483 1.00 17.51 C ATOM 1138 CD2 LEU A 71 47.130 -79.162 -11.322 1.00 19.57 C ATOM 0 H LEU A 71 46.275 -75.401 -10.732 1.00 12.71 H new ATOM 0 HA LEU A 71 48.537 -76.974 -11.830 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.776 -76.474 -13.034 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.980 -77.615 -13.599 1.00 17.10 H new ATOM 0 HG LEU A 71 45.587 -77.720 -10.879 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.513 -79.758 -11.812 1.00 17.51 H new ATOM 0 HD12 LEU A 71 44.118 -78.325 -12.790 1.00 17.51 H new ATOM 0 HD13 LEU A 71 45.342 -79.483 -13.363 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.723 -79.917 -10.649 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.555 -79.649 -12.199 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.908 -78.599 -10.807 1.00 19.57 H new ATOM 1150 N ARG A 72 49.182 -75.328 -13.586 1.00 21.47 N ATOM 1151 CA ARG A 72 49.702 -74.282 -14.469 1.00 25.83 C ATOM 1152 C ARG A 72 49.734 -74.783 -15.911 1.00 27.74 C ATOM 1153 O ARG A 72 50.248 -75.867 -16.188 1.00 30.65 O ATOM 1154 CB ARG A 72 51.121 -73.910 -14.033 1.00 28.49 C ATOM 1155 CG ARG A 72 51.681 -72.826 -14.955 1.00 31.79 C ATOM 1156 CD ARG A 72 53.022 -72.341 -14.405 1.00 34.05 C ATOM 1157 NE ARG A 72 53.689 -71.482 -15.383 1.00 35.08 N ATOM 1158 CZ ARG A 72 55.002 -71.558 -15.598 1.00 34.67 C ATOM 1159 NH1 ARG A 72 55.550 -72.704 -15.896 1.00 34.97 N ATOM 1160 NH2 ARG A 72 55.740 -70.486 -15.507 1.00 35.02 N ATOM 0 H ARG A 72 49.739 -76.182 -13.577 1.00 21.47 H new ATOM 0 HA ARG A 72 49.054 -73.408 -14.407 1.00 25.83 H new ATOM 0 HB2 ARG A 72 51.113 -73.555 -13.003 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.762 -74.791 -14.061 1.00 28.49 H new ATOM 0 HG2 ARG A 72 51.809 -73.220 -15.963 1.00 31.79 H new ATOM 0 HG3 ARG A 72 50.981 -71.994 -15.025 1.00 31.79 H new ATOM 0 HD2 ARG A 72 52.865 -71.793 -13.476 1.00 34.05 H new ATOM 0 HD3 ARG A 72 53.656 -73.195 -14.168 1.00 34.05 H new ATOM 0 HE ARG A 72 53.136 -70.809 -15.913 1.00 35.08 H new ATOM 0 HH11 ARG A 72 54.973 -73.543 -15.965 1.00 34.97 H new ATOM 0 HH12 ARG A 72 56.555 -72.761 -16.060 1.00 34.97 H new ATOM 0 HH21 ARG A 72 55.312 -69.591 -15.271 1.00 35.02 H new ATOM 0 HH22 ARG A 72 56.745 -70.543 -15.671 1.00 35.02 H new ATOM 1174 N LEU A 73 49.183 -73.987 -16.829 0.45 28.93 N ATOM 1175 CA LEU A 73 49.150 -74.353 -18.249 0.45 30.76 C ATOM 1176 C LEU A 73 49.892 -73.312 -19.083 0.45 32.18 C ATOM 1177 O LEU A 73 49.625 -72.115 -18.979 0.45 32.31 O ATOM 1178 CB LEU A 73 47.695 -74.429 -18.725 0.45 30.53 C ATOM 1179 CG LEU A 73 46.960 -75.579 -18.018 0.45 30.16 C ATOM 1180 CD1 LEU A 73 45.457 -75.439 -18.274 0.45 29.57 C ATOM 1181 CD2 LEU A 73 47.443 -76.940 -18.556 0.45 29.11 C ATOM 0 H LEU A 73 48.754 -73.086 -16.617 0.45 28.93 H new ATOM 0 HA LEU A 73 49.634 -75.322 -18.371 0.45 30.76 H new ATOM 0 HB2 LEU A 73 47.189 -73.485 -18.521 0.45 30.53 H new ATOM 0 HB3 LEU A 73 47.666 -74.579 -19.804 0.45 30.53 H new ATOM 0 HG LEU A 73 47.168 -75.531 -16.949 0.45 30.16 H new ATOM 0 HD11 LEU A 73 44.926 -76.251 -17.776 0.45 29.57 H new ATOM 0 HD12 LEU A 73 45.109 -74.483 -17.882 0.45 29.57 H new ATOM 0 HD13 LEU A 73 45.265 -75.483 -19.346 0.45 29.57 H new ATOM 0 HD21 LEU A 73 46.912 -77.743 -18.044 0.45 29.11 H new ATOM 0 HD22 LEU A 73 47.246 -76.999 -19.626 0.45 29.11 H new ATOM 0 HD23 LEU A 73 48.514 -77.042 -18.378 0.45 29.11 H new ATOM 1193 N ARG A 74 50.816 -73.775 -19.919 0.45 33.82 N ATOM 1194 CA ARG A 74 51.580 -72.871 -20.772 0.45 35.33 C ATOM 1195 C ARG A 74 50.679 -72.283 -21.849 0.45 36.22 C ATOM 1196 O ARG A 74 50.773 -71.103 -22.184 0.45 36.70 O ATOM 1197 CB ARG A 74 52.742 -73.625 -21.430 0.45 36.91 C ATOM 1198 CG ARG A 74 53.726 -74.127 -20.361 0.45 38.62 C ATOM 1199 CD ARG A 74 54.659 -72.996 -19.906 0.45 39.75 C ATOM 1200 NE ARG A 74 55.721 -73.545 -19.056 0.45 41.13 N ATOM 1201 CZ ARG A 74 57.012 -73.395 -19.356 0.45 41.91 C ATOM 1202 NH1 ARG A 74 57.576 -74.189 -20.225 0.45 41.93 N ATOM 1203 NH2 ARG A 74 57.711 -72.457 -18.778 0.45 42.75 N ATOM 0 H ARG A 74 51.053 -74.762 -20.024 0.45 33.82 H new ATOM 0 HA ARG A 74 51.978 -72.064 -20.158 0.45 35.33 H new ATOM 0 HB2 ARG A 74 52.358 -74.468 -22.005 0.45 36.91 H new ATOM 0 HB3 ARG A 74 53.259 -72.970 -22.131 0.45 36.91 H new ATOM 0 HG2 ARG A 74 53.174 -74.515 -19.505 0.45 38.62 H new ATOM 0 HG3 ARG A 74 54.315 -74.952 -20.761 0.45 38.62 H new ATOM 0 HD2 ARG A 74 55.094 -72.499 -20.773 0.45 39.75 H new ATOM 0 HD3 ARG A 74 54.093 -72.243 -19.357 0.45 39.75 H new ATOM 0 HE ARG A 74 55.465 -74.056 -18.211 0.45 41.13 H new ATOM 0 HH11 ARG A 74 57.030 -74.924 -20.674 0.45 41.93 H new ATOM 0 HH12 ARG A 74 58.563 -74.075 -20.455 0.45 41.93 H new ATOM 0 HH21 ARG A 74 57.270 -71.839 -18.097 0.45 42.75 H new ATOM 0 HH22 ARG A 74 58.698 -72.342 -19.007 0.45 42.75 H new ATOM 1217 N GLY A 75 49.806 -73.126 -22.381 0.25 36.31 N ATOM 1218 CA GLY A 75 48.874 -72.708 -23.425 0.25 36.07 C ATOM 1219 C GLY A 75 47.576 -72.191 -22.816 0.25 36.16 C ATOM 1220 O GLY A 75 47.420 -72.165 -21.595 0.25 36.26 O ATOM 0 H GLY A 75 49.721 -74.105 -22.108 0.25 36.31 H new ATOM 0 HA2 GLY A 75 49.330 -71.929 -24.035 0.25 36.07 H new ATOM 0 HA3 GLY A 75 48.661 -73.548 -24.087 0.25 36.07 H new ATOM 1224 N GLY A 76 46.647 -71.781 -23.672 0.25 36.05 N ATOM 1225 CA GLY A 76 45.367 -71.266 -23.201 0.25 36.19 C ATOM 1226 C GLY A 76 44.610 -70.574 -24.328 0.25 36.20 C ATOM 1227 O GLY A 76 44.420 -69.372 -24.237 1.00 0.00 O ATOM 1228 OXT GLY A 76 44.230 -71.255 -25.266 1.00 0.00 O ATOM 0 H GLY A 76 46.754 -71.795 -24.686 0.25 36.05 H new ATOM 0 HA2 GLY A 76 44.766 -72.084 -22.803 0.25 36.19 H new ATOM 0 HA3 GLY A 76 45.532 -70.564 -22.384 0.25 36.19 H new TER 1232 GLY A 76