USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 146:sc= 0.246 (180deg=0.0243) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc=-0.000185 (180deg=-0.0784) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 87:sc= 0.872 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= -0.141 (180deg=-0.205) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -87:sc= 0.697 USER MOD Single : A 55 GLN : amide:sc= 0.00871 X(o=0.0087,f=0) USER MOD Single : A 56 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 11:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -6.342 -37.359 6.905 1.00 30.42 N ATOM 2 CA PHE A 1 -5.054 -36.659 6.652 1.00 21.40 C ATOM 3 C PHE A 1 -4.420 -37.150 5.330 1.00 50.32 C ATOM 4 O PHE A 1 -4.311 -38.361 5.102 1.00 3.41 O ATOM 5 CB PHE A 1 -4.077 -36.874 7.839 1.00 43.35 C ATOM 6 CG PHE A 1 -4.595 -36.321 9.174 1.00 52.04 C ATOM 7 CD1 PHE A 1 -4.440 -34.971 9.496 1.00 60.54 C ATOM 8 CD2 PHE A 1 -5.236 -37.147 10.103 1.00 24.42 C ATOM 9 CE1 PHE A 1 -4.904 -34.468 10.699 1.00 11.40 C ATOM 10 CE2 PHE A 1 -5.699 -36.641 11.305 1.00 44.25 C ATOM 11 CZ PHE A 1 -5.531 -35.301 11.603 1.00 30.21 C ATOM 0 H1 PHE A 1 -6.468 -37.496 7.928 1.00 30.42 H new ATOM 0 H2 PHE A 1 -7.127 -36.787 6.533 1.00 30.42 H new ATOM 0 H3 PHE A 1 -6.333 -38.284 6.430 1.00 30.42 H new ATOM 0 HA PHE A 1 -5.254 -35.591 6.560 1.00 21.40 H new ATOM 0 HB2 PHE A 1 -3.883 -37.941 7.949 1.00 43.35 H new ATOM 0 HB3 PHE A 1 -3.124 -36.399 7.604 1.00 43.35 H new ATOM 0 HD1 PHE A 1 -3.951 -34.310 8.796 1.00 60.54 H new ATOM 0 HD2 PHE A 1 -5.372 -38.195 9.879 1.00 24.42 H new ATOM 0 HE1 PHE A 1 -4.775 -33.421 10.931 1.00 11.40 H new ATOM 0 HE2 PHE A 1 -6.192 -37.293 12.011 1.00 44.25 H new ATOM 0 HZ PHE A 1 -5.890 -34.907 12.542 1.00 30.21 H new ATOM 23 N THR A 2 -4.016 -36.199 4.470 1.00 64.53 N ATOM 24 CA THR A 2 -3.350 -36.489 3.178 1.00 54.30 C ATOM 25 C THR A 2 -2.439 -35.325 2.764 1.00 1.11 C ATOM 26 O THR A 2 -2.706 -34.155 3.080 1.00 52.43 O ATOM 27 CB THR A 2 -4.377 -36.799 2.024 1.00 62.12 C ATOM 28 OG1 THR A 2 -3.686 -37.030 0.781 1.00 64.42 O ATOM 29 CG2 THR A 2 -5.414 -35.682 1.830 1.00 70.23 C ATOM 0 H THR A 2 -4.140 -35.202 4.648 1.00 64.53 H new ATOM 0 HA THR A 2 -2.749 -37.385 3.332 1.00 54.30 H new ATOM 0 HB THR A 2 -4.914 -37.698 2.326 1.00 62.12 H new ATOM 0 HG1 THR A 2 -4.338 -37.223 0.075 1.00 64.42 H new ATOM 0 HG21 THR A 2 -6.094 -35.953 1.022 1.00 70.23 H new ATOM 0 HG22 THR A 2 -5.981 -35.548 2.751 1.00 70.23 H new ATOM 0 HG23 THR A 2 -4.904 -34.752 1.579 1.00 70.23 H new ATOM 37 N LEU A 3 -1.367 -35.667 2.031 1.00 0.31 N ATOM 38 CA LEU A 3 -0.405 -34.691 1.477 1.00 52.41 C ATOM 39 C LEU A 3 -1.072 -33.790 0.409 1.00 23.24 C ATOM 40 O LEU A 3 -0.537 -32.733 0.071 1.00 31.24 O ATOM 41 CB LEU A 3 0.855 -35.410 0.898 1.00 13.13 C ATOM 42 CG LEU A 3 1.906 -35.951 1.941 1.00 24.00 C ATOM 43 CD1 LEU A 3 1.325 -37.037 2.880 1.00 62.23 C ATOM 44 CD2 LEU A 3 3.180 -36.468 1.229 1.00 21.23 C ATOM 0 H LEU A 3 -1.139 -36.635 1.803 1.00 0.31 H new ATOM 0 HA LEU A 3 -0.077 -34.049 2.294 1.00 52.41 H new ATOM 0 HB2 LEU A 3 0.518 -36.249 0.289 1.00 13.13 H new ATOM 0 HB3 LEU A 3 1.365 -34.716 0.230 1.00 13.13 H new ATOM 0 HG LEU A 3 2.174 -35.104 2.572 1.00 24.00 H new ATOM 0 HD11 LEU A 3 2.097 -37.369 3.574 1.00 62.23 H new ATOM 0 HD12 LEU A 3 0.487 -36.623 3.440 1.00 62.23 H new ATOM 0 HD13 LEU A 3 0.982 -37.885 2.287 1.00 62.23 H new ATOM 0 HD21 LEU A 3 3.888 -36.835 1.972 1.00 21.23 H new ATOM 0 HD22 LEU A 3 2.914 -37.278 0.550 1.00 21.23 H new ATOM 0 HD23 LEU A 3 3.636 -35.655 0.664 1.00 21.23 H new ATOM 56 N ILE A 4 -2.240 -34.233 -0.111 1.00 0.21 N ATOM 57 CA ILE A 4 -3.052 -33.444 -1.067 1.00 52.25 C ATOM 58 C ILE A 4 -3.654 -32.191 -0.379 1.00 64.23 C ATOM 59 O ILE A 4 -3.619 -31.103 -0.942 1.00 51.51 O ATOM 60 CB ILE A 4 -4.203 -34.304 -1.726 1.00 10.12 C ATOM 61 CG1 ILE A 4 -3.618 -35.592 -2.397 1.00 60.24 C ATOM 62 CG2 ILE A 4 -5.023 -33.469 -2.749 1.00 64.42 C ATOM 63 CD1 ILE A 4 -2.597 -35.336 -3.499 1.00 0.22 C ATOM 0 H ILE A 4 -2.644 -35.141 0.118 1.00 0.21 H new ATOM 0 HA ILE A 4 -2.379 -33.126 -1.863 1.00 52.25 H new ATOM 0 HB ILE A 4 -4.884 -34.611 -0.932 1.00 10.12 H new ATOM 0 HG12 ILE A 4 -3.152 -36.206 -1.626 1.00 60.24 H new ATOM 0 HG13 ILE A 4 -4.441 -36.173 -2.813 1.00 60.24 H new ATOM 0 HG21 ILE A 4 -5.806 -34.092 -3.183 1.00 64.42 H new ATOM 0 HG22 ILE A 4 -5.476 -32.617 -2.243 1.00 64.42 H new ATOM 0 HG23 ILE A 4 -4.363 -33.113 -3.540 1.00 64.42 H new ATOM 0 HD11 ILE A 4 -2.250 -36.288 -3.902 1.00 0.22 H new ATOM 0 HD12 ILE A 4 -3.059 -34.752 -4.295 1.00 0.22 H new ATOM 0 HD13 ILE A 4 -1.750 -34.785 -3.090 1.00 0.22 H new ATOM 75 N GLU A 5 -4.188 -32.366 0.852 1.00 53.04 N ATOM 76 CA GLU A 5 -4.691 -31.240 1.688 1.00 31.44 C ATOM 77 C GLU A 5 -3.580 -30.210 1.970 1.00 33.33 C ATOM 78 O GLU A 5 -3.824 -29.010 1.915 1.00 62.33 O ATOM 79 CB GLU A 5 -5.298 -31.760 3.030 1.00 12.02 C ATOM 80 CG GLU A 5 -6.667 -32.459 2.905 1.00 40.55 C ATOM 81 CD GLU A 5 -7.783 -31.519 2.406 1.00 62.14 C ATOM 82 OE1 GLU A 5 -8.345 -30.758 3.223 1.00 2.32 O ATOM 83 OE2 GLU A 5 -8.089 -31.521 1.193 1.00 32.44 O ATOM 0 H GLU A 5 -4.284 -33.280 1.294 1.00 53.04 H new ATOM 0 HA GLU A 5 -5.480 -30.745 1.122 1.00 31.44 H new ATOM 0 HB2 GLU A 5 -4.593 -32.456 3.483 1.00 12.02 H new ATOM 0 HB3 GLU A 5 -5.399 -30.918 3.715 1.00 12.02 H new ATOM 0 HG2 GLU A 5 -6.577 -33.302 2.220 1.00 40.55 H new ATOM 0 HG3 GLU A 5 -6.950 -32.866 3.876 1.00 40.55 H new ATOM 90 N LEU A 6 -2.363 -30.707 2.256 1.00 34.42 N ATOM 91 CA LEU A 6 -1.162 -29.861 2.449 1.00 21.23 C ATOM 92 C LEU A 6 -0.834 -29.057 1.173 1.00 54.25 C ATOM 93 O LEU A 6 -0.608 -27.860 1.245 1.00 23.55 O ATOM 94 CB LEU A 6 0.049 -30.745 2.848 1.00 34.22 C ATOM 95 CG LEU A 6 -0.126 -31.614 4.138 1.00 72.52 C ATOM 96 CD1 LEU A 6 1.065 -32.580 4.331 1.00 60.03 C ATOM 97 CD2 LEU A 6 -0.335 -30.731 5.396 1.00 21.33 C ATOM 0 H LEU A 6 -2.180 -31.705 2.361 1.00 34.42 H new ATOM 0 HA LEU A 6 -1.371 -29.152 3.250 1.00 21.23 H new ATOM 0 HB2 LEU A 6 0.277 -31.410 2.015 1.00 34.22 H new ATOM 0 HB3 LEU A 6 0.915 -30.098 2.986 1.00 34.22 H new ATOM 0 HG LEU A 6 -1.025 -32.215 4.004 1.00 72.52 H new ATOM 0 HD11 LEU A 6 0.913 -33.169 5.235 1.00 60.03 H new ATOM 0 HD12 LEU A 6 1.136 -33.247 3.471 1.00 60.03 H new ATOM 0 HD13 LEU A 6 1.987 -32.007 4.422 1.00 60.03 H new ATOM 0 HD21 LEU A 6 -0.453 -31.368 6.272 1.00 21.33 H new ATOM 0 HD22 LEU A 6 0.530 -30.082 5.533 1.00 21.33 H new ATOM 0 HD23 LEU A 6 -1.229 -30.121 5.268 1.00 21.33 H new ATOM 109 N LEU A 7 -0.835 -29.750 0.019 1.00 73.41 N ATOM 110 CA LEU A 7 -0.624 -29.155 -1.317 1.00 61.31 C ATOM 111 C LEU A 7 -1.617 -27.996 -1.608 1.00 73.30 C ATOM 112 O LEU A 7 -1.225 -26.949 -2.130 1.00 0.24 O ATOM 113 CB LEU A 7 -0.769 -30.284 -2.373 1.00 43.21 C ATOM 114 CG LEU A 7 -0.601 -29.887 -3.875 1.00 14.33 C ATOM 115 CD1 LEU A 7 0.797 -29.292 -4.151 1.00 3.04 C ATOM 116 CD2 LEU A 7 -0.892 -31.099 -4.797 1.00 74.24 C ATOM 0 H LEU A 7 -0.985 -30.758 -0.013 1.00 73.41 H new ATOM 0 HA LEU A 7 0.373 -28.718 -1.359 1.00 61.31 H new ATOM 0 HB2 LEU A 7 -0.034 -31.056 -2.144 1.00 43.21 H new ATOM 0 HB3 LEU A 7 -1.754 -30.735 -2.252 1.00 43.21 H new ATOM 0 HG LEU A 7 -1.331 -29.109 -4.100 1.00 14.33 H new ATOM 0 HD11 LEU A 7 0.878 -29.027 -5.205 1.00 3.04 H new ATOM 0 HD12 LEU A 7 0.940 -28.400 -3.541 1.00 3.04 H new ATOM 0 HD13 LEU A 7 1.561 -30.028 -3.902 1.00 3.04 H new ATOM 0 HD21 LEU A 7 -0.770 -30.802 -5.838 1.00 74.24 H new ATOM 0 HD22 LEU A 7 -0.197 -31.907 -4.566 1.00 74.24 H new ATOM 0 HD23 LEU A 7 -1.914 -31.442 -4.635 1.00 74.24 H new ATOM 128 N ILE A 8 -2.901 -28.205 -1.246 1.00 13.10 N ATOM 129 CA ILE A 8 -3.978 -27.224 -1.416 1.00 53.55 C ATOM 130 C ILE A 8 -3.830 -26.023 -0.442 1.00 51.35 C ATOM 131 O ILE A 8 -4.069 -24.885 -0.839 1.00 72.32 O ATOM 132 CB ILE A 8 -5.364 -27.942 -1.216 1.00 43.43 C ATOM 133 CG1 ILE A 8 -5.574 -29.050 -2.308 1.00 23.23 C ATOM 134 CG2 ILE A 8 -6.535 -26.938 -1.213 1.00 73.31 C ATOM 135 CD1 ILE A 8 -6.739 -29.989 -2.043 1.00 22.42 C ATOM 0 H ILE A 8 -3.217 -29.077 -0.821 1.00 13.10 H new ATOM 0 HA ILE A 8 -3.919 -26.816 -2.425 1.00 53.55 H new ATOM 0 HB ILE A 8 -5.349 -28.421 -0.237 1.00 43.43 H new ATOM 0 HG12 ILE A 8 -5.727 -28.566 -3.273 1.00 23.23 H new ATOM 0 HG13 ILE A 8 -4.661 -29.640 -2.389 1.00 23.23 H new ATOM 0 HG21 ILE A 8 -7.474 -27.474 -1.072 1.00 73.31 H new ATOM 0 HG22 ILE A 8 -6.400 -26.224 -0.401 1.00 73.31 H new ATOM 0 HG23 ILE A 8 -6.560 -26.406 -2.164 1.00 73.31 H new ATOM 0 HD11 ILE A 8 -6.807 -30.720 -2.848 1.00 22.42 H new ATOM 0 HD12 ILE A 8 -6.582 -30.506 -1.096 1.00 22.42 H new ATOM 0 HD13 ILE A 8 -7.665 -29.416 -1.994 1.00 22.42 H new ATOM 147 N VAL A 9 -3.442 -26.287 0.825 1.00 10.22 N ATOM 148 CA VAL A 9 -3.174 -25.237 1.826 1.00 61.34 C ATOM 149 C VAL A 9 -1.994 -24.334 1.385 1.00 72.41 C ATOM 150 O VAL A 9 -2.094 -23.107 1.445 1.00 51.11 O ATOM 151 CB VAL A 9 -2.913 -25.874 3.250 1.00 32.03 C ATOM 152 CG1 VAL A 9 -2.343 -24.852 4.251 1.00 4.13 C ATOM 153 CG2 VAL A 9 -4.211 -26.511 3.807 1.00 72.31 C ATOM 0 H VAL A 9 -3.307 -27.234 1.180 1.00 10.22 H new ATOM 0 HA VAL A 9 -4.059 -24.605 1.901 1.00 61.34 H new ATOM 0 HB VAL A 9 -2.161 -26.653 3.120 1.00 32.03 H new ATOM 0 HG11 VAL A 9 -2.181 -25.337 5.214 1.00 4.13 H new ATOM 0 HG12 VAL A 9 -1.396 -24.465 3.876 1.00 4.13 H new ATOM 0 HG13 VAL A 9 -3.048 -24.030 4.373 1.00 4.13 H new ATOM 0 HG21 VAL A 9 -4.012 -26.944 4.787 1.00 72.31 H new ATOM 0 HG22 VAL A 9 -4.982 -25.746 3.898 1.00 72.31 H new ATOM 0 HG23 VAL A 9 -4.553 -27.292 3.128 1.00 72.31 H new ATOM 163 N VAL A 10 -0.900 -24.950 0.913 1.00 74.15 N ATOM 164 CA VAL A 10 0.254 -24.229 0.351 1.00 53.44 C ATOM 165 C VAL A 10 -0.148 -23.412 -0.917 1.00 2.54 C ATOM 166 O VAL A 10 0.338 -22.291 -1.121 1.00 10.12 O ATOM 167 CB VAL A 10 1.412 -25.251 0.025 1.00 10.30 C ATOM 168 CG1 VAL A 10 2.585 -24.582 -0.712 1.00 63.41 C ATOM 169 CG2 VAL A 10 1.910 -25.958 1.312 1.00 23.12 C ATOM 0 H VAL A 10 -0.789 -25.964 0.910 1.00 74.15 H new ATOM 0 HA VAL A 10 0.612 -23.515 1.092 1.00 53.44 H new ATOM 0 HB VAL A 10 0.992 -26.002 -0.644 1.00 10.30 H new ATOM 0 HG11 VAL A 10 3.358 -25.324 -0.915 1.00 63.41 H new ATOM 0 HG12 VAL A 10 2.231 -24.160 -1.653 1.00 63.41 H new ATOM 0 HG13 VAL A 10 2.999 -23.788 -0.091 1.00 63.41 H new ATOM 0 HG21 VAL A 10 2.707 -26.656 1.058 1.00 23.12 H new ATOM 0 HG22 VAL A 10 2.289 -25.214 2.013 1.00 23.12 H new ATOM 0 HG23 VAL A 10 1.084 -26.502 1.771 1.00 23.12 H new ATOM 179 N ALA A 11 -1.061 -23.977 -1.735 1.00 34.35 N ATOM 180 CA ALA A 11 -1.566 -23.318 -2.960 1.00 71.13 C ATOM 181 C ALA A 11 -2.390 -22.040 -2.644 1.00 73.33 C ATOM 182 O ALA A 11 -2.106 -20.968 -3.190 1.00 44.24 O ATOM 183 CB ALA A 11 -2.408 -24.312 -3.787 1.00 60.12 C ATOM 0 H ALA A 11 -1.467 -24.897 -1.567 1.00 34.35 H new ATOM 0 HA ALA A 11 -0.700 -23.004 -3.543 1.00 71.13 H new ATOM 0 HB1 ALA A 11 -2.775 -23.818 -4.686 1.00 60.12 H new ATOM 0 HB2 ALA A 11 -1.791 -25.165 -4.068 1.00 60.12 H new ATOM 0 HB3 ALA A 11 -3.254 -24.656 -3.191 1.00 60.12 H new ATOM 189 N ILE A 12 -3.394 -22.162 -1.738 1.00 22.11 N ATOM 190 CA ILE A 12 -4.329 -21.061 -1.412 1.00 65.34 C ATOM 191 C ILE A 12 -3.625 -19.907 -0.664 1.00 71.35 C ATOM 192 O ILE A 12 -3.849 -18.742 -0.992 1.00 71.20 O ATOM 193 CB ILE A 12 -5.597 -21.569 -0.612 1.00 55.05 C ATOM 194 CG1 ILE A 12 -5.200 -22.219 0.758 1.00 11.54 C ATOM 195 CG2 ILE A 12 -6.435 -22.549 -1.482 1.00 71.43 C ATOM 196 CD1 ILE A 12 -6.353 -22.779 1.573 1.00 41.45 C ATOM 0 H ILE A 12 -3.575 -23.021 -1.218 1.00 22.11 H new ATOM 0 HA ILE A 12 -4.683 -20.668 -2.365 1.00 65.34 H new ATOM 0 HB ILE A 12 -6.215 -20.701 -0.383 1.00 55.05 H new ATOM 0 HG12 ILE A 12 -4.489 -23.023 0.567 1.00 11.54 H new ATOM 0 HG13 ILE A 12 -4.682 -21.471 1.359 1.00 11.54 H new ATOM 0 HG21 ILE A 12 -7.302 -22.888 -0.915 1.00 71.43 H new ATOM 0 HG22 ILE A 12 -6.768 -22.039 -2.386 1.00 71.43 H new ATOM 0 HG23 ILE A 12 -5.822 -23.408 -1.755 1.00 71.43 H new ATOM 0 HD11 ILE A 12 -5.970 -23.205 2.500 1.00 41.45 H new ATOM 0 HD12 ILE A 12 -7.057 -21.980 1.804 1.00 41.45 H new ATOM 0 HD13 ILE A 12 -6.861 -23.555 1.000 1.00 41.45 H new ATOM 208 N ILE A 13 -2.741 -20.236 0.313 1.00 75.03 N ATOM 209 CA ILE A 13 -1.916 -19.240 1.031 1.00 44.44 C ATOM 210 C ILE A 13 -0.915 -18.561 0.059 1.00 32.25 C ATOM 211 O ILE A 13 -0.598 -17.373 0.210 1.00 74.30 O ATOM 212 CB ILE A 13 -1.148 -19.921 2.233 1.00 0.12 C ATOM 213 CG1 ILE A 13 -2.157 -20.494 3.279 1.00 63.33 C ATOM 214 CG2 ILE A 13 -0.150 -18.951 2.909 1.00 62.52 C ATOM 215 CD1 ILE A 13 -1.524 -21.234 4.449 1.00 21.42 C ATOM 0 H ILE A 13 -2.583 -21.195 0.621 1.00 75.03 H new ATOM 0 HA ILE A 13 -2.576 -18.473 1.435 1.00 44.44 H new ATOM 0 HB ILE A 13 -0.567 -20.746 1.820 1.00 0.12 H new ATOM 0 HG12 ILE A 13 -2.756 -19.672 3.671 1.00 63.33 H new ATOM 0 HG13 ILE A 13 -2.841 -21.172 2.768 1.00 63.33 H new ATOM 0 HG21 ILE A 13 0.355 -19.462 3.729 1.00 62.52 H new ATOM 0 HG22 ILE A 13 0.588 -18.621 2.178 1.00 62.52 H new ATOM 0 HG23 ILE A 13 -0.689 -18.086 3.297 1.00 62.52 H new ATOM 0 HD11 ILE A 13 -2.306 -21.593 5.118 1.00 21.42 H new ATOM 0 HD12 ILE A 13 -0.949 -22.081 4.075 1.00 21.42 H new ATOM 0 HD13 ILE A 13 -0.863 -20.558 4.992 1.00 21.42 H new ATOM 227 N GLY A 14 -0.452 -19.338 -0.949 1.00 31.30 N ATOM 228 CA GLY A 14 0.415 -18.821 -2.014 1.00 3.02 C ATOM 229 C GLY A 14 -0.247 -17.705 -2.831 1.00 14.52 C ATOM 230 O GLY A 14 0.411 -16.727 -3.196 1.00 71.44 O ATOM 0 H GLY A 14 -0.671 -20.330 -1.039 1.00 31.30 H new ATOM 0 HA2 GLY A 14 1.338 -18.444 -1.574 1.00 3.02 H new ATOM 0 HA3 GLY A 14 0.691 -19.638 -2.681 1.00 3.02 H new ATOM 234 N ILE A 15 -1.570 -17.853 -3.089 1.00 31.42 N ATOM 235 CA ILE A 15 -2.394 -16.837 -3.778 1.00 23.35 C ATOM 236 C ILE A 15 -2.604 -15.590 -2.887 1.00 22.10 C ATOM 237 O ILE A 15 -2.495 -14.458 -3.367 1.00 23.34 O ATOM 238 CB ILE A 15 -3.787 -17.465 -4.166 1.00 15.53 C ATOM 239 CG1 ILE A 15 -3.582 -18.729 -5.079 1.00 61.14 C ATOM 240 CG2 ILE A 15 -4.731 -16.432 -4.846 1.00 64.00 C ATOM 241 CD1 ILE A 15 -4.704 -19.743 -4.999 1.00 14.52 C ATOM 0 H ILE A 15 -2.095 -18.686 -2.822 1.00 31.42 H new ATOM 0 HA ILE A 15 -1.870 -16.520 -4.680 1.00 23.35 H new ATOM 0 HB ILE A 15 -4.275 -17.775 -3.242 1.00 15.53 H new ATOM 0 HG12 ILE A 15 -3.476 -18.402 -6.113 1.00 61.14 H new ATOM 0 HG13 ILE A 15 -2.647 -19.216 -4.801 1.00 61.14 H new ATOM 0 HG21 ILE A 15 -5.677 -16.912 -5.094 1.00 64.00 H new ATOM 0 HG22 ILE A 15 -4.913 -15.602 -4.164 1.00 64.00 H new ATOM 0 HG23 ILE A 15 -4.264 -16.057 -5.757 1.00 64.00 H new ATOM 0 HD11 ILE A 15 -4.484 -20.582 -5.659 1.00 14.52 H new ATOM 0 HD12 ILE A 15 -4.798 -20.102 -3.974 1.00 14.52 H new ATOM 0 HD13 ILE A 15 -5.639 -19.276 -5.307 1.00 14.52 H new ATOM 253 N LEU A 16 -2.887 -15.822 -1.586 1.00 72.02 N ATOM 254 CA LEU A 16 -3.142 -14.733 -0.607 1.00 5.15 C ATOM 255 C LEU A 16 -1.893 -13.851 -0.410 1.00 33.22 C ATOM 256 O LEU A 16 -2.006 -12.646 -0.237 1.00 14.02 O ATOM 257 CB LEU A 16 -3.609 -15.301 0.767 1.00 73.51 C ATOM 258 CG LEU A 16 -4.800 -16.322 0.737 1.00 64.33 C ATOM 259 CD1 LEU A 16 -5.340 -16.626 2.152 1.00 74.25 C ATOM 260 CD2 LEU A 16 -5.923 -15.875 -0.231 1.00 23.23 C ATOM 0 H LEU A 16 -2.946 -16.758 -1.185 1.00 72.02 H new ATOM 0 HA LEU A 16 -3.942 -14.117 -1.018 1.00 5.15 H new ATOM 0 HB2 LEU A 16 -2.757 -15.786 1.243 1.00 73.51 H new ATOM 0 HB3 LEU A 16 -3.895 -14.463 1.403 1.00 73.51 H new ATOM 0 HG LEU A 16 -4.402 -17.258 0.346 1.00 64.33 H new ATOM 0 HD11 LEU A 16 -6.163 -17.337 2.082 1.00 74.25 H new ATOM 0 HD12 LEU A 16 -4.543 -17.052 2.762 1.00 74.25 H new ATOM 0 HD13 LEU A 16 -5.695 -15.704 2.612 1.00 74.25 H new ATOM 0 HD21 LEU A 16 -6.727 -16.611 -0.220 1.00 23.23 H new ATOM 0 HD22 LEU A 16 -6.312 -14.907 0.086 1.00 23.23 H new ATOM 0 HD23 LEU A 16 -5.521 -15.792 -1.241 1.00 23.23 H new ATOM 272 N ALA A 17 -0.714 -14.484 -0.455 1.00 14.45 N ATOM 273 CA ALA A 17 0.586 -13.782 -0.381 1.00 75.21 C ATOM 274 C ALA A 17 0.879 -13.037 -1.701 1.00 42.35 C ATOM 275 O ALA A 17 1.286 -11.873 -1.697 1.00 20.13 O ATOM 276 CB ALA A 17 1.699 -14.792 -0.060 1.00 61.31 C ATOM 0 H ALA A 17 -0.628 -15.496 -0.544 1.00 14.45 H new ATOM 0 HA ALA A 17 0.546 -13.039 0.416 1.00 75.21 H new ATOM 0 HB1 ALA A 17 2.656 -14.274 -0.006 1.00 61.31 H new ATOM 0 HB2 ALA A 17 1.491 -15.271 0.897 1.00 61.31 H new ATOM 0 HB3 ALA A 17 1.740 -15.549 -0.843 1.00 61.31 H new ATOM 282 N ALA A 18 0.630 -13.732 -2.824 1.00 53.53 N ATOM 283 CA ALA A 18 0.845 -13.206 -4.194 1.00 41.21 C ATOM 284 C ALA A 18 0.005 -11.946 -4.503 1.00 2.11 C ATOM 285 O ALA A 18 0.412 -11.128 -5.330 1.00 55.30 O ATOM 286 CB ALA A 18 0.573 -14.306 -5.239 1.00 51.43 C ATOM 0 H ALA A 18 0.270 -14.686 -2.812 1.00 53.53 H new ATOM 0 HA ALA A 18 1.890 -12.900 -4.249 1.00 41.21 H new ATOM 0 HB1 ALA A 18 0.735 -13.905 -6.240 1.00 51.43 H new ATOM 0 HB2 ALA A 18 1.249 -15.144 -5.070 1.00 51.43 H new ATOM 0 HB3 ALA A 18 -0.458 -14.648 -5.147 1.00 51.43 H new ATOM 292 N ILE A 19 -1.171 -11.794 -3.862 1.00 14.01 N ATOM 293 CA ILE A 19 -1.981 -10.555 -3.987 1.00 4.55 C ATOM 294 C ILE A 19 -1.600 -9.517 -2.913 1.00 44.32 C ATOM 295 O ILE A 19 -1.514 -8.332 -3.210 1.00 55.50 O ATOM 296 CB ILE A 19 -3.533 -10.837 -4.010 1.00 11.45 C ATOM 297 CG1 ILE A 19 -4.047 -11.623 -2.749 1.00 63.45 C ATOM 298 CG2 ILE A 19 -3.927 -11.560 -5.321 1.00 5.15 C ATOM 299 CD1 ILE A 19 -4.465 -10.740 -1.593 1.00 30.30 C ATOM 0 H ILE A 19 -1.583 -12.504 -3.256 1.00 14.01 H new ATOM 0 HA ILE A 19 -1.738 -10.125 -4.959 1.00 4.55 H new ATOM 0 HB ILE A 19 -4.028 -9.867 -3.973 1.00 11.45 H new ATOM 0 HG12 ILE A 19 -4.894 -12.243 -3.042 1.00 63.45 H new ATOM 0 HG13 ILE A 19 -3.261 -12.297 -2.410 1.00 63.45 H new ATOM 0 HG21 ILE A 19 -5.001 -11.749 -5.324 1.00 5.15 H new ATOM 0 HG22 ILE A 19 -3.666 -10.934 -6.174 1.00 5.15 H new ATOM 0 HG23 ILE A 19 -3.392 -12.507 -5.389 1.00 5.15 H new ATOM 0 HD11 ILE A 19 -4.806 -11.362 -0.765 1.00 30.30 H new ATOM 0 HD12 ILE A 19 -3.616 -10.138 -1.269 1.00 30.30 H new ATOM 0 HD13 ILE A 19 -5.275 -10.083 -1.911 1.00 30.30 H new ATOM 311 N ALA A 20 -1.318 -9.979 -1.692 1.00 63.43 N ATOM 312 CA ALA A 20 -1.088 -9.091 -0.522 1.00 53.30 C ATOM 313 C ALA A 20 0.205 -8.268 -0.646 1.00 32.43 C ATOM 314 O ALA A 20 0.166 -7.046 -0.556 1.00 4.00 O ATOM 315 CB ALA A 20 -1.101 -9.898 0.789 1.00 13.33 C ATOM 0 H ALA A 20 -1.240 -10.973 -1.475 1.00 63.43 H new ATOM 0 HA ALA A 20 -1.912 -8.378 -0.502 1.00 53.30 H new ATOM 0 HB1 ALA A 20 -0.931 -9.227 1.631 1.00 13.33 H new ATOM 0 HB2 ALA A 20 -2.068 -10.388 0.905 1.00 13.33 H new ATOM 0 HB3 ALA A 20 -0.314 -10.651 0.760 1.00 13.33 H new ATOM 321 N ILE A 21 1.328 -8.959 -0.869 1.00 73.15 N ATOM 322 CA ILE A 21 2.678 -8.351 -0.945 1.00 42.44 C ATOM 323 C ILE A 21 2.783 -7.164 -1.961 1.00 64.23 C ATOM 324 O ILE A 21 3.207 -6.086 -1.555 1.00 23.24 O ATOM 325 CB ILE A 21 3.759 -9.473 -1.212 1.00 14.24 C ATOM 326 CG1 ILE A 21 3.917 -10.376 0.063 1.00 71.13 C ATOM 327 CG2 ILE A 21 5.114 -8.881 -1.678 1.00 61.44 C ATOM 328 CD1 ILE A 21 4.338 -11.807 -0.227 1.00 21.51 C ATOM 0 H ILE A 21 1.334 -9.970 -1.005 1.00 73.15 H new ATOM 0 HA ILE A 21 2.880 -7.894 0.024 1.00 42.44 H new ATOM 0 HB ILE A 21 3.408 -10.097 -2.034 1.00 14.24 H new ATOM 0 HG12 ILE A 21 4.653 -9.921 0.726 1.00 71.13 H new ATOM 0 HG13 ILE A 21 2.969 -10.391 0.602 1.00 71.13 H new ATOM 0 HG21 ILE A 21 5.825 -9.690 -1.849 1.00 61.44 H new ATOM 0 HG22 ILE A 21 4.969 -8.324 -2.604 1.00 61.44 H new ATOM 0 HG23 ILE A 21 5.503 -8.213 -0.910 1.00 61.44 H new ATOM 0 HD11 ILE A 21 4.423 -12.358 0.710 1.00 21.51 H new ATOM 0 HD12 ILE A 21 3.592 -12.284 -0.863 1.00 21.51 H new ATOM 0 HD13 ILE A 21 5.302 -11.807 -0.736 1.00 21.51 H new ATOM 340 N PRO A 22 2.404 -7.305 -3.281 1.00 43.15 N ATOM 341 CA PRO A 22 2.404 -6.145 -4.219 1.00 73.12 C ATOM 342 C PRO A 22 1.366 -5.061 -3.846 1.00 33.42 C ATOM 343 O PRO A 22 1.638 -3.873 -3.971 1.00 25.32 O ATOM 344 CB PRO A 22 2.042 -6.774 -5.579 1.00 43.02 C ATOM 345 CG PRO A 22 1.317 -8.040 -5.228 1.00 14.11 C ATOM 346 CD PRO A 22 1.982 -8.553 -3.976 1.00 42.53 C ATOM 0 HA PRO A 22 3.365 -5.631 -4.206 1.00 73.12 H new ATOM 0 HB2 PRO A 22 1.413 -6.108 -6.169 1.00 43.02 H new ATOM 0 HB3 PRO A 22 2.934 -6.979 -6.171 1.00 43.02 H new ATOM 0 HG2 PRO A 22 0.257 -7.851 -5.060 1.00 14.11 H new ATOM 0 HG3 PRO A 22 1.387 -8.769 -6.036 1.00 14.11 H new ATOM 0 HD2 PRO A 22 1.295 -9.141 -3.367 1.00 42.53 H new ATOM 0 HD3 PRO A 22 2.833 -9.194 -4.206 1.00 42.53 H new ATOM 354 N GLN A 23 0.182 -5.501 -3.393 1.00 4.33 N ATOM 355 CA GLN A 23 -0.952 -4.599 -3.048 1.00 1.13 C ATOM 356 C GLN A 23 -0.579 -3.668 -1.883 1.00 22.02 C ATOM 357 O GLN A 23 -0.930 -2.485 -1.873 1.00 75.31 O ATOM 358 CB GLN A 23 -2.197 -5.446 -2.660 1.00 34.25 C ATOM 359 CG GLN A 23 -3.418 -4.653 -2.155 1.00 14.01 C ATOM 360 CD GLN A 23 -4.499 -5.556 -1.566 1.00 72.43 C ATOM 361 OE1 GLN A 23 -5.415 -5.982 -2.255 1.00 30.42 O ATOM 362 NE2 GLN A 23 -4.369 -5.885 -0.291 1.00 42.00 N ATOM 0 H GLN A 23 -0.026 -6.489 -3.252 1.00 4.33 H new ATOM 0 HA GLN A 23 -1.181 -3.987 -3.920 1.00 1.13 H new ATOM 0 HB2 GLN A 23 -2.501 -6.030 -3.529 1.00 34.25 H new ATOM 0 HB3 GLN A 23 -1.903 -6.156 -1.886 1.00 34.25 H new ATOM 0 HG2 GLN A 23 -3.095 -3.938 -1.399 1.00 14.01 H new ATOM 0 HG3 GLN A 23 -3.839 -4.077 -2.979 1.00 14.01 H new ATOM 0 HE21 GLN A 23 -3.593 -5.512 0.255 1.00 42.00 H new ATOM 0 HE22 GLN A 23 -5.045 -6.512 0.145 1.00 42.00 H new ATOM 371 N PHE A 24 0.166 -4.228 -0.929 1.00 2.11 N ATOM 372 CA PHE A 24 0.533 -3.531 0.331 1.00 13.02 C ATOM 373 C PHE A 24 1.882 -2.793 0.204 1.00 64.43 C ATOM 374 O PHE A 24 2.042 -1.702 0.767 1.00 72.41 O ATOM 375 CB PHE A 24 0.543 -4.510 1.540 1.00 22.10 C ATOM 376 CG PHE A 24 -0.852 -4.901 2.052 1.00 21.34 C ATOM 377 CD1 PHE A 24 -1.744 -3.917 2.486 1.00 33.41 C ATOM 378 CD2 PHE A 24 -1.271 -6.232 2.111 1.00 12.33 C ATOM 379 CE1 PHE A 24 -3.002 -4.252 2.956 1.00 52.13 C ATOM 380 CE2 PHE A 24 -2.530 -6.567 2.583 1.00 2.03 C ATOM 381 CZ PHE A 24 -3.395 -5.575 3.003 1.00 31.04 C ATOM 0 H PHE A 24 0.538 -5.176 -0.996 1.00 2.11 H new ATOM 0 HA PHE A 24 -0.235 -2.780 0.516 1.00 13.02 H new ATOM 0 HB2 PHE A 24 1.079 -5.415 1.254 1.00 22.10 H new ATOM 0 HB3 PHE A 24 1.102 -4.053 2.357 1.00 22.10 H new ATOM 0 HD1 PHE A 24 -1.447 -2.879 2.454 1.00 33.41 H new ATOM 0 HD2 PHE A 24 -0.602 -7.014 1.783 1.00 12.33 H new ATOM 0 HE1 PHE A 24 -3.678 -3.477 3.287 1.00 52.13 H new ATOM 0 HE2 PHE A 24 -2.835 -7.602 2.623 1.00 2.03 H new ATOM 0 HZ PHE A 24 -4.378 -5.834 3.368 1.00 31.04 H new ATOM 391 N SER A 25 2.856 -3.382 -0.525 1.00 34.01 N ATOM 392 CA SER A 25 4.144 -2.690 -0.821 1.00 2.35 C ATOM 393 C SER A 25 3.915 -1.429 -1.682 1.00 21.24 C ATOM 394 O SER A 25 4.436 -0.362 -1.374 1.00 13.13 O ATOM 395 CB SER A 25 5.159 -3.629 -1.509 1.00 70.14 C ATOM 396 OG SER A 25 6.385 -2.963 -1.786 1.00 10.12 O ATOM 0 H SER A 25 2.784 -4.321 -0.917 1.00 34.01 H new ATOM 0 HA SER A 25 4.566 -2.386 0.137 1.00 2.35 H new ATOM 0 HB2 SER A 25 5.349 -4.491 -0.870 1.00 70.14 H new ATOM 0 HB3 SER A 25 4.733 -4.009 -2.438 1.00 70.14 H new ATOM 0 HG SER A 25 7.005 -3.586 -2.220 1.00 10.12 H new ATOM 402 N ALA A 26 3.106 -1.568 -2.747 1.00 62.33 N ATOM 403 CA ALA A 26 2.699 -0.428 -3.604 1.00 32.12 C ATOM 404 C ALA A 26 1.788 0.566 -2.845 1.00 5.13 C ATOM 405 O ALA A 26 1.756 1.747 -3.182 1.00 54.01 O ATOM 406 CB ALA A 26 1.993 -0.925 -4.874 1.00 53.34 C ATOM 0 H ALA A 26 2.716 -2.464 -3.041 1.00 62.33 H new ATOM 0 HA ALA A 26 3.609 0.101 -3.888 1.00 32.12 H new ATOM 0 HB1 ALA A 26 1.704 -0.071 -5.487 1.00 53.34 H new ATOM 0 HB2 ALA A 26 2.670 -1.565 -5.440 1.00 53.34 H new ATOM 0 HB3 ALA A 26 1.104 -1.492 -4.598 1.00 53.34 H new ATOM 412 N TYR A 27 1.055 0.071 -1.816 1.00 64.50 N ATOM 413 CA TYR A 27 0.157 0.912 -0.985 1.00 54.13 C ATOM 414 C TYR A 27 0.954 1.925 -0.165 1.00 62.22 C ATOM 415 O TYR A 27 0.698 3.117 -0.233 1.00 14.11 O ATOM 416 CB TYR A 27 -0.669 0.027 -0.026 1.00 41.02 C ATOM 417 CG TYR A 27 -1.569 0.801 0.964 1.00 73.52 C ATOM 418 CD1 TYR A 27 -2.673 1.526 0.513 1.00 3.31 C ATOM 419 CD2 TYR A 27 -1.289 0.827 2.341 1.00 11.21 C ATOM 420 CE1 TYR A 27 -3.464 2.241 1.392 1.00 72.32 C ATOM 421 CE2 TYR A 27 -2.075 1.549 3.215 1.00 74.44 C ATOM 422 CZ TYR A 27 -3.158 2.251 2.736 1.00 55.22 C ATOM 423 OH TYR A 27 -3.935 2.979 3.610 1.00 64.24 O ATOM 0 H TYR A 27 1.069 -0.911 -1.541 1.00 64.50 H new ATOM 0 HA TYR A 27 -0.510 1.449 -1.659 1.00 54.13 H new ATOM 0 HB2 TYR A 27 -1.296 -0.639 -0.619 1.00 41.02 H new ATOM 0 HB3 TYR A 27 0.015 -0.602 0.544 1.00 41.02 H new ATOM 0 HD1 TYR A 27 -2.913 1.528 -0.540 1.00 3.31 H new ATOM 0 HD2 TYR A 27 -0.444 0.272 2.721 1.00 11.21 H new ATOM 0 HE1 TYR A 27 -4.319 2.790 1.027 1.00 72.32 H new ATOM 0 HE2 TYR A 27 -1.842 1.563 4.269 1.00 74.44 H new ATOM 0 HH TYR A 27 -3.585 2.879 4.520 1.00 64.24 H new ATOM 433 N ARG A 28 1.915 1.413 0.616 1.00 60.34 N ATOM 434 CA ARG A 28 2.727 2.223 1.544 1.00 13.43 C ATOM 435 C ARG A 28 3.615 3.222 0.789 1.00 60.12 C ATOM 436 O ARG A 28 3.919 4.302 1.300 1.00 31.22 O ATOM 437 CB ARG A 28 3.592 1.279 2.438 1.00 14.13 C ATOM 438 CG ARG A 28 4.702 0.522 1.676 1.00 54.32 C ATOM 439 CD ARG A 28 5.583 -0.375 2.552 1.00 30.34 C ATOM 440 NE ARG A 28 6.637 -1.031 1.752 1.00 73.04 N ATOM 441 CZ ARG A 28 7.691 -1.663 2.233 1.00 74.33 C ATOM 442 NH1 ARG A 28 7.890 -1.775 3.510 1.00 0.31 N ATOM 443 NH2 ARG A 28 8.555 -2.169 1.422 1.00 23.22 N ATOM 0 H ARG A 28 2.155 0.422 0.624 1.00 60.34 H new ATOM 0 HA ARG A 28 2.055 2.803 2.177 1.00 13.43 H new ATOM 0 HB2 ARG A 28 4.050 1.869 3.232 1.00 14.13 H new ATOM 0 HB3 ARG A 28 2.937 0.552 2.918 1.00 14.13 H new ATOM 0 HG2 ARG A 28 4.240 -0.091 0.902 1.00 54.32 H new ATOM 0 HG3 ARG A 28 5.337 1.249 1.170 1.00 54.32 H new ATOM 0 HD2 ARG A 28 6.040 0.220 3.343 1.00 30.34 H new ATOM 0 HD3 ARG A 28 4.967 -1.132 3.038 1.00 30.34 H new ATOM 0 HE ARG A 28 6.542 -0.992 0.737 1.00 73.04 H new ATOM 0 HH11 ARG A 28 7.224 -1.370 4.167 1.00 0.31 H new ATOM 0 HH12 ARG A 28 8.713 -2.268 3.857 1.00 0.31 H new ATOM 0 HH21 ARG A 28 8.422 -2.080 0.415 1.00 23.22 H new ATOM 0 HH22 ARG A 28 9.372 -2.659 1.787 1.00 23.22 H new ATOM 457 N VAL A 29 3.997 2.854 -0.444 1.00 63.03 N ATOM 458 CA VAL A 29 4.835 3.721 -1.295 1.00 14.51 C ATOM 459 C VAL A 29 3.991 4.844 -1.910 1.00 11.05 C ATOM 460 O VAL A 29 4.354 6.022 -1.828 1.00 52.14 O ATOM 461 CB VAL A 29 5.586 2.906 -2.413 1.00 4.22 C ATOM 462 CG1 VAL A 29 6.354 3.830 -3.391 1.00 3.20 C ATOM 463 CG2 VAL A 29 6.539 1.870 -1.773 1.00 23.14 C ATOM 0 H VAL A 29 3.741 1.966 -0.875 1.00 63.03 H new ATOM 0 HA VAL A 29 5.599 4.166 -0.658 1.00 14.51 H new ATOM 0 HB VAL A 29 4.832 2.379 -2.998 1.00 4.22 H new ATOM 0 HG11 VAL A 29 6.857 3.224 -4.145 1.00 3.20 H new ATOM 0 HG12 VAL A 29 5.653 4.507 -3.878 1.00 3.20 H new ATOM 0 HG13 VAL A 29 7.094 4.410 -2.839 1.00 3.20 H new ATOM 0 HG21 VAL A 29 7.052 1.314 -2.558 1.00 23.14 H new ATOM 0 HG22 VAL A 29 7.274 2.385 -1.154 1.00 23.14 H new ATOM 0 HG23 VAL A 29 5.964 1.180 -1.155 1.00 23.14 H new ATOM 473 N LYS A 30 2.838 4.471 -2.483 1.00 70.43 N ATOM 474 CA LYS A 30 1.906 5.440 -3.092 1.00 15.10 C ATOM 475 C LYS A 30 1.274 6.339 -2.008 1.00 43.23 C ATOM 476 O LYS A 30 0.919 7.470 -2.304 1.00 35.00 O ATOM 477 CB LYS A 30 0.788 4.732 -3.923 1.00 2.44 C ATOM 478 CG LYS A 30 -0.462 4.300 -3.119 1.00 71.21 C ATOM 479 CD LYS A 30 -1.456 3.459 -3.953 1.00 35.01 C ATOM 480 CE LYS A 30 -2.745 3.116 -3.182 1.00 72.40 C ATOM 481 NZ LYS A 30 -3.542 4.327 -2.861 1.00 12.50 N ATOM 0 H LYS A 30 2.525 3.502 -2.539 1.00 70.43 H new ATOM 0 HA LYS A 30 2.486 6.059 -3.777 1.00 15.10 H new ATOM 0 HB2 LYS A 30 0.472 5.403 -4.721 1.00 2.44 H new ATOM 0 HB3 LYS A 30 1.216 3.850 -4.399 1.00 2.44 H new ATOM 0 HG2 LYS A 30 -0.147 3.723 -2.250 1.00 71.21 H new ATOM 0 HG3 LYS A 30 -0.971 5.188 -2.744 1.00 71.21 H new ATOM 0 HD2 LYS A 30 -1.715 4.006 -4.860 1.00 35.01 H new ATOM 0 HD3 LYS A 30 -0.969 2.535 -4.266 1.00 35.01 H new ATOM 0 HE2 LYS A 30 -3.350 2.431 -3.775 1.00 72.40 H new ATOM 0 HE3 LYS A 30 -2.488 2.597 -2.259 1.00 72.40 H new ATOM 0 HZ1 LYS A 30 -4.467 4.043 -2.481 1.00 12.50 H new ATOM 0 HZ2 LYS A 30 -3.037 4.897 -2.153 1.00 12.50 H new ATOM 0 HZ3 LYS A 30 -3.681 4.890 -3.724 1.00 12.50 H new ATOM 495 N ALA A 31 1.154 5.826 -0.748 1.00 0.20 N ATOM 496 CA ALA A 31 0.559 6.600 0.365 1.00 41.11 C ATOM 497 C ALA A 31 1.595 7.551 0.954 1.00 74.44 C ATOM 498 O ALA A 31 1.246 8.620 1.460 1.00 31.44 O ATOM 499 CB ALA A 31 0.007 5.680 1.465 1.00 25.14 C ATOM 0 H ALA A 31 1.460 4.889 -0.488 1.00 0.20 H new ATOM 0 HA ALA A 31 -0.274 7.174 -0.039 1.00 41.11 H new ATOM 0 HB1 ALA A 31 -0.421 6.285 2.264 1.00 25.14 H new ATOM 0 HB2 ALA A 31 -0.764 5.034 1.046 1.00 25.14 H new ATOM 0 HB3 ALA A 31 0.815 5.068 1.866 1.00 25.14 H new ATOM 505 N TYR A 32 2.882 7.143 0.881 1.00 24.11 N ATOM 506 CA TYR A 32 4.000 7.995 1.300 1.00 13.40 C ATOM 507 C TYR A 32 4.052 9.248 0.422 1.00 32.34 C ATOM 508 O TYR A 32 3.992 10.356 0.926 1.00 42.11 O ATOM 509 CB TYR A 32 5.348 7.225 1.254 1.00 65.25 C ATOM 510 CG TYR A 32 6.531 8.029 1.823 1.00 32.01 C ATOM 511 CD1 TYR A 32 6.593 8.335 3.190 1.00 63.54 C ATOM 512 CD2 TYR A 32 7.568 8.505 1.007 1.00 52.31 C ATOM 513 CE1 TYR A 32 7.636 9.072 3.715 1.00 15.02 C ATOM 514 CE2 TYR A 32 8.612 9.245 1.535 1.00 73.05 C ATOM 515 CZ TYR A 32 8.641 9.523 2.888 1.00 73.24 C ATOM 516 OH TYR A 32 9.681 10.258 3.418 1.00 54.21 O ATOM 0 H TYR A 32 3.165 6.226 0.534 1.00 24.11 H new ATOM 0 HA TYR A 32 3.837 8.296 2.335 1.00 13.40 H new ATOM 0 HB2 TYR A 32 5.247 6.296 1.815 1.00 65.25 H new ATOM 0 HB3 TYR A 32 5.567 6.952 0.222 1.00 65.25 H new ATOM 0 HD1 TYR A 32 5.809 7.987 3.846 1.00 63.54 H new ATOM 0 HD2 TYR A 32 7.552 8.290 -0.051 1.00 52.31 H new ATOM 0 HE1 TYR A 32 7.664 9.294 4.772 1.00 15.02 H new ATOM 0 HE2 TYR A 32 9.401 9.604 0.891 1.00 73.05 H new ATOM 0 HH TYR A 32 10.308 10.500 2.704 1.00 54.21 H new ATOM 526 N ASN A 33 4.100 9.034 -0.895 1.00 32.33 N ATOM 527 CA ASN A 33 4.144 10.118 -1.900 1.00 64.22 C ATOM 528 C ASN A 33 2.817 10.913 -1.994 1.00 65.34 C ATOM 529 O ASN A 33 2.850 12.122 -2.190 1.00 2.24 O ATOM 530 CB ASN A 33 4.546 9.566 -3.287 1.00 22.23 C ATOM 531 CG ASN A 33 6.004 9.097 -3.339 1.00 32.34 C ATOM 532 OD1 ASN A 33 6.904 9.883 -3.607 1.00 75.31 O ATOM 533 ND2 ASN A 33 6.252 7.824 -3.108 1.00 65.43 N ATOM 0 H ASN A 33 4.110 8.100 -1.305 1.00 32.33 H new ATOM 0 HA ASN A 33 4.906 10.820 -1.561 1.00 64.22 H new ATOM 0 HB2 ASN A 33 3.892 8.733 -3.545 1.00 22.23 H new ATOM 0 HB3 ASN A 33 4.391 10.339 -4.040 1.00 22.23 H new ATOM 0 HD21 ASN A 33 7.210 7.475 -3.151 1.00 65.43 H new ATOM 0 HD22 ASN A 33 5.487 7.187 -2.887 1.00 65.43 H new ATOM 540 N SER A 34 1.659 10.233 -1.870 1.00 3.44 N ATOM 541 CA SER A 34 0.324 10.911 -1.918 1.00 31.01 C ATOM 542 C SER A 34 0.150 11.897 -0.750 1.00 34.21 C ATOM 543 O SER A 34 -0.111 13.092 -0.957 1.00 4.24 O ATOM 544 CB SER A 34 -0.838 9.888 -1.890 1.00 12.40 C ATOM 545 OG SER A 34 -2.106 10.515 -2.013 1.00 2.22 O ATOM 0 H SER A 34 1.609 9.223 -1.737 1.00 3.44 H new ATOM 0 HA SER A 34 0.292 11.460 -2.859 1.00 31.01 H new ATOM 0 HB2 SER A 34 -0.709 9.171 -2.701 1.00 12.40 H new ATOM 0 HB3 SER A 34 -0.802 9.325 -0.958 1.00 12.40 H new ATOM 0 HG SER A 34 -2.811 9.834 -1.992 1.00 2.22 H new ATOM 551 N ALA A 35 0.313 11.373 0.477 1.00 23.34 N ATOM 552 CA ALA A 35 0.168 12.160 1.708 1.00 14.42 C ATOM 553 C ALA A 35 1.290 13.206 1.861 1.00 74.13 C ATOM 554 O ALA A 35 1.020 14.302 2.323 1.00 61.35 O ATOM 555 CB ALA A 35 0.120 11.239 2.934 1.00 71.43 C ATOM 0 H ALA A 35 0.548 10.394 0.640 1.00 23.34 H new ATOM 0 HA ALA A 35 -0.775 12.703 1.637 1.00 14.42 H new ATOM 0 HB1 ALA A 35 0.012 11.840 3.837 1.00 71.43 H new ATOM 0 HB2 ALA A 35 -0.729 10.561 2.846 1.00 71.43 H new ATOM 0 HB3 ALA A 35 1.042 10.661 2.991 1.00 71.43 H new ATOM 561 N ALA A 36 2.542 12.857 1.472 1.00 13.10 N ATOM 562 CA ALA A 36 3.705 13.797 1.571 1.00 62.44 C ATOM 563 C ALA A 36 3.562 15.004 0.623 1.00 1.54 C ATOM 564 O ALA A 36 3.665 16.150 1.064 1.00 42.52 O ATOM 565 CB ALA A 36 5.040 13.084 1.299 1.00 4.14 C ATOM 0 H ALA A 36 2.779 11.942 1.089 1.00 13.10 H new ATOM 0 HA ALA A 36 3.706 14.165 2.597 1.00 62.44 H new ATOM 0 HB1 ALA A 36 5.858 13.800 1.380 1.00 4.14 H new ATOM 0 HB2 ALA A 36 5.182 12.287 2.028 1.00 4.14 H new ATOM 0 HB3 ALA A 36 5.028 12.660 0.295 1.00 4.14 H new ATOM 571 N SER A 37 3.320 14.724 -0.679 1.00 3.21 N ATOM 572 CA SER A 37 3.150 15.775 -1.718 1.00 74.31 C ATOM 573 C SER A 37 1.994 16.729 -1.370 1.00 75.54 C ATOM 574 O SER A 37 2.121 17.951 -1.504 1.00 53.33 O ATOM 575 CB SER A 37 2.889 15.150 -3.112 1.00 53.11 C ATOM 576 OG SER A 37 3.959 14.315 -3.516 1.00 40.30 O ATOM 0 H SER A 37 3.237 13.774 -1.040 1.00 3.21 H new ATOM 0 HA SER A 37 4.081 16.341 -1.747 1.00 74.31 H new ATOM 0 HB2 SER A 37 1.965 14.572 -3.085 1.00 53.11 H new ATOM 0 HB3 SER A 37 2.748 15.943 -3.847 1.00 53.11 H new ATOM 0 HG SER A 37 3.821 13.412 -3.162 1.00 40.30 H new ATOM 582 N SER A 38 0.868 16.150 -0.910 1.00 22.00 N ATOM 583 CA SER A 38 -0.339 16.928 -0.546 1.00 73.23 C ATOM 584 C SER A 38 -0.165 17.670 0.778 1.00 55.43 C ATOM 585 O SER A 38 -0.719 18.746 0.941 1.00 3.41 O ATOM 586 CB SER A 38 -1.590 16.023 -0.485 1.00 52.21 C ATOM 587 OG SER A 38 -2.759 16.769 -0.163 1.00 4.33 O ATOM 0 H SER A 38 0.766 15.143 -0.780 1.00 22.00 H new ATOM 0 HA SER A 38 -0.481 17.671 -1.331 1.00 73.23 H new ATOM 0 HB2 SER A 38 -1.728 15.526 -1.445 1.00 52.21 H new ATOM 0 HB3 SER A 38 -1.439 15.242 0.260 1.00 52.21 H new ATOM 0 HG SER A 38 -3.533 16.168 -0.134 1.00 4.33 H new ATOM 593 N ASP A 39 0.610 17.094 1.709 1.00 4.52 N ATOM 594 CA ASP A 39 0.943 17.747 2.995 1.00 44.53 C ATOM 595 C ASP A 39 1.669 19.096 2.767 1.00 63.41 C ATOM 596 O ASP A 39 1.216 20.139 3.233 1.00 53.54 O ATOM 597 CB ASP A 39 1.833 16.809 3.836 1.00 22.12 C ATOM 598 CG ASP A 39 2.224 17.380 5.209 1.00 15.23 C ATOM 599 OD1 ASP A 39 1.428 17.265 6.164 1.00 14.34 O ATOM 600 OD2 ASP A 39 3.334 17.935 5.341 1.00 63.24 O ATOM 0 H ASP A 39 1.024 16.168 1.598 1.00 4.52 H new ATOM 0 HA ASP A 39 0.014 17.949 3.528 1.00 44.53 H new ATOM 0 HB2 ASP A 39 1.310 15.864 3.983 1.00 22.12 H new ATOM 0 HB3 ASP A 39 2.741 16.587 3.275 1.00 22.12 H new ATOM 605 N LEU A 40 2.782 19.051 2.001 1.00 14.25 N ATOM 606 CA LEU A 40 3.684 20.225 1.830 1.00 20.11 C ATOM 607 C LEU A 40 3.070 21.275 0.880 1.00 52.20 C ATOM 608 O LEU A 40 3.359 22.474 0.984 1.00 23.02 O ATOM 609 CB LEU A 40 5.115 19.763 1.402 1.00 13.33 C ATOM 610 CG LEU A 40 5.251 18.837 0.137 1.00 32.41 C ATOM 611 CD1 LEU A 40 5.133 19.613 -1.191 1.00 74.13 C ATOM 612 CD2 LEU A 40 6.564 18.025 0.186 1.00 72.23 C ATOM 0 H LEU A 40 3.081 18.220 1.491 1.00 14.25 H new ATOM 0 HA LEU A 40 3.793 20.725 2.792 1.00 20.11 H new ATOM 0 HB2 LEU A 40 5.714 20.656 1.227 1.00 13.33 H new ATOM 0 HB3 LEU A 40 5.562 19.240 2.247 1.00 13.33 H new ATOM 0 HG LEU A 40 4.410 18.144 0.168 1.00 32.41 H new ATOM 0 HD11 LEU A 40 5.235 18.921 -2.027 1.00 74.13 H new ATOM 0 HD12 LEU A 40 4.160 20.102 -1.241 1.00 74.13 H new ATOM 0 HD13 LEU A 40 5.920 20.365 -1.244 1.00 74.13 H new ATOM 0 HD21 LEU A 40 6.634 17.393 -0.699 1.00 72.23 H new ATOM 0 HD22 LEU A 40 7.413 18.708 0.213 1.00 72.23 H new ATOM 0 HD23 LEU A 40 6.572 17.400 1.079 1.00 72.23 H new ATOM 624 N ARG A 41 2.197 20.803 -0.031 1.00 2.14 N ATOM 625 CA ARG A 41 1.447 21.661 -0.957 1.00 42.14 C ATOM 626 C ARG A 41 0.287 22.376 -0.228 1.00 71.13 C ATOM 627 O ARG A 41 0.034 23.558 -0.463 1.00 13.23 O ATOM 628 CB ARG A 41 0.905 20.807 -2.132 1.00 1.41 C ATOM 629 CG ARG A 41 0.187 21.609 -3.236 1.00 75.03 C ATOM 630 CD ARG A 41 -0.340 20.720 -4.377 1.00 62.50 C ATOM 631 NE ARG A 41 -1.337 19.745 -3.907 1.00 15.42 N ATOM 632 CZ ARG A 41 -1.935 18.834 -4.650 1.00 32.53 C ATOM 633 NH1 ARG A 41 -1.691 18.738 -5.923 1.00 23.34 N ATOM 634 NH2 ARG A 41 -2.796 18.036 -4.116 1.00 31.22 N ATOM 0 H ARG A 41 1.994 19.810 -0.142 1.00 2.14 H new ATOM 0 HA ARG A 41 2.117 22.426 -1.349 1.00 42.14 H new ATOM 0 HB2 ARG A 41 1.736 20.262 -2.580 1.00 1.41 H new ATOM 0 HB3 ARG A 41 0.214 20.064 -1.734 1.00 1.41 H new ATOM 0 HG2 ARG A 41 -0.646 22.158 -2.796 1.00 75.03 H new ATOM 0 HG3 ARG A 41 0.875 22.348 -3.646 1.00 75.03 H new ATOM 0 HD2 ARG A 41 -0.784 21.348 -5.149 1.00 62.50 H new ATOM 0 HD3 ARG A 41 0.494 20.191 -4.838 1.00 62.50 H new ATOM 0 HE ARG A 41 -1.588 19.777 -2.919 1.00 15.42 H new ATOM 0 HH11 ARG A 41 -1.027 19.374 -6.364 1.00 23.34 H new ATOM 0 HH12 ARG A 41 -2.164 18.027 -6.481 1.00 23.34 H new ATOM 0 HH21 ARG A 41 -3.013 18.111 -3.122 1.00 31.22 H new ATOM 0 HH22 ARG A 41 -3.260 17.330 -4.688 1.00 31.22 H new ATOM 648 N ASN A 42 -0.406 21.636 0.663 1.00 60.15 N ATOM 649 CA ASN A 42 -1.536 22.173 1.467 1.00 12.24 C ATOM 650 C ASN A 42 -1.042 23.223 2.491 1.00 21.50 C ATOM 651 O ASN A 42 -1.717 24.218 2.735 1.00 52.34 O ATOM 652 CB ASN A 42 -2.277 21.022 2.197 1.00 4.35 C ATOM 653 CG ASN A 42 -3.575 21.451 2.888 1.00 1.11 C ATOM 654 OD1 ASN A 42 -4.296 22.310 2.392 1.00 13.32 O ATOM 655 ND2 ASN A 42 -3.884 20.871 4.036 1.00 21.21 N ATOM 0 H ASN A 42 -0.203 20.654 0.848 1.00 60.15 H new ATOM 0 HA ASN A 42 -2.230 22.663 0.784 1.00 12.24 H new ATOM 0 HB2 ASN A 42 -2.504 20.236 1.476 1.00 4.35 H new ATOM 0 HB3 ASN A 42 -1.609 20.588 2.941 1.00 4.35 H new ATOM 0 HD21 ASN A 42 -4.737 21.136 4.528 1.00 21.21 H new ATOM 0 HD22 ASN A 42 -3.269 20.159 4.429 1.00 21.21 H new ATOM 662 N LEU A 43 0.152 22.985 3.065 1.00 43.30 N ATOM 663 CA LEU A 43 0.776 23.912 4.039 1.00 25.24 C ATOM 664 C LEU A 43 1.313 25.171 3.346 1.00 75.20 C ATOM 665 O LEU A 43 1.388 26.236 3.961 1.00 42.44 O ATOM 666 CB LEU A 43 1.926 23.211 4.814 1.00 31.42 C ATOM 667 CG LEU A 43 1.492 22.071 5.790 1.00 11.23 C ATOM 668 CD1 LEU A 43 2.710 21.423 6.496 1.00 1.42 C ATOM 669 CD2 LEU A 43 0.444 22.580 6.818 1.00 52.11 C ATOM 0 H LEU A 43 0.710 22.154 2.872 1.00 43.30 H new ATOM 0 HA LEU A 43 0.001 24.208 4.746 1.00 25.24 H new ATOM 0 HB2 LEU A 43 2.627 22.796 4.090 1.00 31.42 H new ATOM 0 HB3 LEU A 43 2.467 23.966 5.385 1.00 31.42 H new ATOM 0 HG LEU A 43 1.018 21.293 5.191 1.00 11.23 H new ATOM 0 HD11 LEU A 43 2.366 20.635 7.166 1.00 1.42 H new ATOM 0 HD12 LEU A 43 3.379 20.997 5.749 1.00 1.42 H new ATOM 0 HD13 LEU A 43 3.243 22.181 7.071 1.00 1.42 H new ATOM 0 HD21 LEU A 43 0.161 21.764 7.484 1.00 52.11 H new ATOM 0 HD22 LEU A 43 0.873 23.393 7.403 1.00 52.11 H new ATOM 0 HD23 LEU A 43 -0.439 22.940 6.290 1.00 52.11 H new ATOM 681 N LYS A 44 1.686 25.036 2.061 1.00 61.25 N ATOM 682 CA LYS A 44 2.221 26.151 1.268 1.00 52.11 C ATOM 683 C LYS A 44 1.077 27.049 0.776 1.00 14.21 C ATOM 684 O LYS A 44 1.159 28.272 0.873 1.00 61.34 O ATOM 685 CB LYS A 44 3.036 25.616 0.064 1.00 15.52 C ATOM 686 CG LYS A 44 3.709 26.684 -0.853 1.00 52.24 C ATOM 687 CD LYS A 44 4.912 27.441 -0.200 1.00 1.21 C ATOM 688 CE LYS A 44 4.510 28.632 0.705 1.00 43.45 C ATOM 689 NZ LYS A 44 5.695 29.296 1.315 1.00 32.14 N ATOM 0 H LYS A 44 1.625 24.156 1.548 1.00 61.25 H new ATOM 0 HA LYS A 44 2.883 26.741 1.902 1.00 52.11 H new ATOM 0 HB2 LYS A 44 3.814 24.955 0.446 1.00 15.52 H new ATOM 0 HB3 LYS A 44 2.374 25.006 -0.552 1.00 15.52 H new ATOM 0 HG2 LYS A 44 4.056 26.195 -1.763 1.00 52.24 H new ATOM 0 HG3 LYS A 44 2.956 27.414 -1.151 1.00 52.24 H new ATOM 0 HD2 LYS A 44 5.492 26.732 0.391 1.00 1.21 H new ATOM 0 HD3 LYS A 44 5.566 27.807 -0.991 1.00 1.21 H new ATOM 0 HE2 LYS A 44 3.949 29.360 0.118 1.00 43.45 H new ATOM 0 HE3 LYS A 44 3.846 28.279 1.494 1.00 43.45 H new ATOM 0 HZ1 LYS A 44 5.390 30.147 1.830 1.00 32.14 H new ATOM 0 HZ2 LYS A 44 6.159 28.640 1.975 1.00 32.14 H new ATOM 0 HZ3 LYS A 44 6.365 29.566 0.567 1.00 32.14 H new ATOM 703 N THR A 45 0.003 26.409 0.274 1.00 12.04 N ATOM 704 CA THR A 45 -1.167 27.117 -0.291 1.00 33.12 C ATOM 705 C THR A 45 -1.966 27.841 0.812 1.00 1.30 C ATOM 706 O THR A 45 -2.522 28.917 0.583 1.00 51.22 O ATOM 707 CB THR A 45 -2.098 26.150 -1.102 1.00 71.22 C ATOM 708 OG1 THR A 45 -2.963 26.906 -1.970 1.00 72.41 O ATOM 709 CG2 THR A 45 -2.969 25.245 -0.213 1.00 44.23 C ATOM 0 H THR A 45 -0.080 25.393 0.248 1.00 12.04 H new ATOM 0 HA THR A 45 -0.783 27.865 -0.984 1.00 33.12 H new ATOM 0 HB THR A 45 -1.431 25.506 -1.675 1.00 71.22 H new ATOM 0 HG1 THR A 45 -3.539 26.293 -2.473 1.00 72.41 H new ATOM 0 HG21 THR A 45 -3.587 24.603 -0.841 1.00 44.23 H new ATOM 0 HG22 THR A 45 -2.328 24.628 0.416 1.00 44.23 H new ATOM 0 HG23 THR A 45 -3.610 25.862 0.417 1.00 44.23 H new ATOM 717 N ALA A 46 -2.001 27.219 2.003 1.00 62.44 N ATOM 718 CA ALA A 46 -2.603 27.806 3.217 1.00 25.50 C ATOM 719 C ALA A 46 -1.774 28.996 3.733 1.00 31.53 C ATOM 720 O ALA A 46 -2.335 30.018 4.129 1.00 14.13 O ATOM 721 CB ALA A 46 -2.757 26.738 4.315 1.00 12.01 C ATOM 0 H ALA A 46 -1.610 26.289 2.153 1.00 62.44 H new ATOM 0 HA ALA A 46 -3.593 28.178 2.952 1.00 25.50 H new ATOM 0 HB1 ALA A 46 -3.202 27.189 5.202 1.00 12.01 H new ATOM 0 HB2 ALA A 46 -3.400 25.936 3.954 1.00 12.01 H new ATOM 0 HB3 ALA A 46 -1.777 26.332 4.568 1.00 12.01 H new ATOM 727 N LEU A 47 -0.435 28.848 3.715 1.00 23.32 N ATOM 728 CA LEU A 47 0.506 29.888 4.178 1.00 74.20 C ATOM 729 C LEU A 47 0.474 31.147 3.278 1.00 32.42 C ATOM 730 O LEU A 47 0.449 32.274 3.778 1.00 23.42 O ATOM 731 CB LEU A 47 1.943 29.302 4.236 1.00 35.22 C ATOM 732 CG LEU A 47 3.056 30.233 4.816 1.00 24.33 C ATOM 733 CD1 LEU A 47 2.723 30.678 6.261 1.00 22.20 C ATOM 734 CD2 LEU A 47 4.441 29.545 4.743 1.00 43.01 C ATOM 0 H LEU A 47 0.026 28.003 3.378 1.00 23.32 H new ATOM 0 HA LEU A 47 0.195 30.200 5.175 1.00 74.20 H new ATOM 0 HB2 LEU A 47 1.915 28.391 4.834 1.00 35.22 H new ATOM 0 HB3 LEU A 47 2.234 29.012 3.226 1.00 35.22 H new ATOM 0 HG LEU A 47 3.095 31.132 4.201 1.00 24.33 H new ATOM 0 HD11 LEU A 47 3.517 31.324 6.635 1.00 22.20 H new ATOM 0 HD12 LEU A 47 1.779 31.223 6.265 1.00 22.20 H new ATOM 0 HD13 LEU A 47 2.638 29.800 6.902 1.00 22.20 H new ATOM 0 HD21 LEU A 47 5.200 30.211 5.152 1.00 43.01 H new ATOM 0 HD22 LEU A 47 4.419 28.621 5.321 1.00 43.01 H new ATOM 0 HD23 LEU A 47 4.680 29.317 3.704 1.00 43.01 H new ATOM 746 N GLU A 48 0.458 30.938 1.947 1.00 62.03 N ATOM 747 CA GLU A 48 0.488 32.045 0.959 1.00 23.42 C ATOM 748 C GLU A 48 -0.868 32.777 0.884 1.00 12.32 C ATOM 749 O GLU A 48 -0.899 33.986 0.675 1.00 73.34 O ATOM 750 CB GLU A 48 0.907 31.507 -0.438 1.00 15.11 C ATOM 751 CG GLU A 48 -0.106 30.555 -1.096 1.00 44.01 C ATOM 752 CD GLU A 48 0.390 29.914 -2.402 1.00 71.13 C ATOM 753 OE1 GLU A 48 1.164 28.931 -2.340 1.00 32.43 O ATOM 754 OE2 GLU A 48 0.012 30.385 -3.493 1.00 70.24 O ATOM 0 H GLU A 48 0.424 30.010 1.526 1.00 62.03 H new ATOM 0 HA GLU A 48 1.229 32.772 1.290 1.00 23.42 H new ATOM 0 HB2 GLU A 48 1.072 32.355 -1.103 1.00 15.11 H new ATOM 0 HB3 GLU A 48 1.861 30.988 -0.340 1.00 15.11 H new ATOM 0 HG2 GLU A 48 -0.358 29.765 -0.389 1.00 44.01 H new ATOM 0 HG3 GLU A 48 -1.025 31.105 -1.300 1.00 44.01 H new ATOM 761 N SER A 49 -1.987 32.037 1.066 1.00 12.04 N ATOM 762 CA SER A 49 -3.349 32.636 1.114 1.00 55.12 C ATOM 763 C SER A 49 -3.562 33.410 2.426 1.00 30.53 C ATOM 764 O SER A 49 -4.251 34.434 2.450 1.00 13.42 O ATOM 765 CB SER A 49 -4.443 31.555 0.964 1.00 44.31 C ATOM 766 OG SER A 49 -4.365 30.584 1.994 1.00 25.11 O ATOM 0 H SER A 49 -1.977 31.024 1.182 1.00 12.04 H new ATOM 0 HA SER A 49 -3.428 33.329 0.276 1.00 55.12 H new ATOM 0 HB2 SER A 49 -5.426 32.027 0.982 1.00 44.31 H new ATOM 0 HB3 SER A 49 -4.342 31.067 -0.005 1.00 44.31 H new ATOM 0 HG SER A 49 -3.742 29.875 1.729 1.00 25.11 H new ATOM 772 N ALA A 50 -2.947 32.900 3.510 1.00 24.23 N ATOM 773 CA ALA A 50 -2.995 33.532 4.846 1.00 35.12 C ATOM 774 C ALA A 50 -2.174 34.836 4.872 1.00 72.32 C ATOM 775 O ALA A 50 -2.605 35.837 5.422 1.00 71.03 O ATOM 776 CB ALA A 50 -2.485 32.566 5.923 1.00 43.23 C ATOM 0 H ALA A 50 -2.402 32.038 3.486 1.00 24.23 H new ATOM 0 HA ALA A 50 -4.035 33.777 5.060 1.00 35.12 H new ATOM 0 HB1 ALA A 50 -2.529 33.052 6.898 1.00 43.23 H new ATOM 0 HB2 ALA A 50 -3.108 31.672 5.935 1.00 43.23 H new ATOM 0 HB3 ALA A 50 -1.455 32.287 5.703 1.00 43.23 H new ATOM 782 N PHE A 51 -0.992 34.804 4.241 1.00 62.15 N ATOM 783 CA PHE A 51 -0.079 35.966 4.169 1.00 54.42 C ATOM 784 C PHE A 51 -0.545 36.962 3.073 1.00 74.04 C ATOM 785 O PHE A 51 -0.120 38.124 3.060 1.00 21.31 O ATOM 786 CB PHE A 51 1.379 35.481 3.910 1.00 74.44 C ATOM 787 CG PHE A 51 2.437 36.590 3.979 1.00 1.44 C ATOM 788 CD1 PHE A 51 2.827 37.125 5.210 1.00 73.00 C ATOM 789 CD2 PHE A 51 3.024 37.108 2.823 1.00 33.04 C ATOM 790 CE1 PHE A 51 3.767 38.133 5.278 1.00 53.20 C ATOM 791 CE2 PHE A 51 3.960 38.119 2.894 1.00 13.44 C ATOM 792 CZ PHE A 51 4.334 38.630 4.122 1.00 33.13 C ATOM 0 H PHE A 51 -0.637 33.975 3.765 1.00 62.15 H new ATOM 0 HA PHE A 51 -0.100 36.493 5.123 1.00 54.42 H new ATOM 0 HB2 PHE A 51 1.628 34.712 4.641 1.00 74.44 H new ATOM 0 HB3 PHE A 51 1.424 35.013 2.927 1.00 74.44 H new ATOM 0 HD1 PHE A 51 2.387 36.744 6.120 1.00 73.00 H new ATOM 0 HD2 PHE A 51 2.741 36.711 1.859 1.00 33.04 H new ATOM 0 HE1 PHE A 51 4.059 38.534 6.237 1.00 53.20 H new ATOM 0 HE2 PHE A 51 4.401 38.511 1.989 1.00 13.44 H new ATOM 0 HZ PHE A 51 5.070 39.418 4.177 1.00 33.13 H new ATOM 802 N ALA A 52 -1.441 36.499 2.172 1.00 71.11 N ATOM 803 CA ALA A 52 -1.986 37.324 1.074 1.00 14.31 C ATOM 804 C ALA A 52 -2.878 38.443 1.633 1.00 21.22 C ATOM 805 O ALA A 52 -2.803 39.587 1.180 1.00 14.53 O ATOM 806 CB ALA A 52 -2.759 36.456 0.069 1.00 44.55 C ATOM 0 H ALA A 52 -1.804 35.546 2.187 1.00 71.11 H new ATOM 0 HA ALA A 52 -1.152 37.785 0.545 1.00 14.31 H new ATOM 0 HB1 ALA A 52 -3.151 37.086 -0.730 1.00 44.55 H new ATOM 0 HB2 ALA A 52 -2.090 35.707 -0.354 1.00 44.55 H new ATOM 0 HB3 ALA A 52 -3.585 35.959 0.577 1.00 44.55 H new ATOM 812 N ASP A 53 -3.687 38.100 2.653 1.00 32.21 N ATOM 813 CA ASP A 53 -4.585 39.073 3.312 1.00 63.12 C ATOM 814 C ASP A 53 -3.810 39.987 4.303 1.00 34.25 C ATOM 815 O ASP A 53 -4.244 41.113 4.573 1.00 30.21 O ATOM 816 CB ASP A 53 -5.787 38.362 3.991 1.00 12.20 C ATOM 817 CG ASP A 53 -5.407 37.300 5.037 1.00 54.14 C ATOM 818 OD1 ASP A 53 -5.065 37.669 6.182 1.00 41.11 O ATOM 819 OD2 ASP A 53 -5.488 36.092 4.734 1.00 44.15 O ATOM 0 H ASP A 53 -3.739 37.158 3.040 1.00 32.21 H new ATOM 0 HA ASP A 53 -4.993 39.723 2.538 1.00 63.12 H new ATOM 0 HB2 ASP A 53 -6.412 39.115 4.471 1.00 12.20 H new ATOM 0 HB3 ASP A 53 -6.394 37.889 3.219 1.00 12.20 H new ATOM 824 N ASP A 54 -2.680 39.487 4.854 1.00 13.33 N ATOM 825 CA ASP A 54 -1.739 40.305 5.666 1.00 31.43 C ATOM 826 C ASP A 54 -1.111 41.446 4.827 1.00 32.31 C ATOM 827 O ASP A 54 -1.194 42.619 5.204 1.00 31.45 O ATOM 828 CB ASP A 54 -0.620 39.410 6.293 1.00 73.12 C ATOM 829 CG ASP A 54 -1.107 38.588 7.499 1.00 64.10 C ATOM 830 OD1 ASP A 54 -1.961 37.706 7.320 1.00 71.35 O ATOM 831 OD2 ASP A 54 -0.656 38.841 8.642 1.00 21.40 O ATOM 0 H ASP A 54 -2.393 38.514 4.752 1.00 13.33 H new ATOM 0 HA ASP A 54 -2.314 40.759 6.474 1.00 31.43 H new ATOM 0 HB2 ASP A 54 -0.236 38.732 5.531 1.00 73.12 H new ATOM 0 HB3 ASP A 54 0.211 40.043 6.604 1.00 73.12 H new ATOM 836 N GLN A 55 -0.507 41.090 3.682 1.00 61.43 N ATOM 837 CA GLN A 55 0.200 42.063 2.817 1.00 72.35 C ATOM 838 C GLN A 55 -0.782 43.055 2.136 1.00 42.04 C ATOM 839 O GLN A 55 -0.441 44.226 1.930 1.00 32.53 O ATOM 840 CB GLN A 55 1.081 41.327 1.767 1.00 61.45 C ATOM 841 CG GLN A 55 0.298 40.525 0.707 1.00 43.53 C ATOM 842 CD GLN A 55 1.196 39.647 -0.163 1.00 13.11 C ATOM 843 OE1 GLN A 55 1.696 40.071 -1.201 1.00 13.51 O ATOM 844 NE2 GLN A 55 1.379 38.409 0.241 1.00 32.12 N ATOM 0 H GLN A 55 -0.491 40.133 3.328 1.00 61.43 H new ATOM 0 HA GLN A 55 0.855 42.655 3.456 1.00 72.35 H new ATOM 0 HB2 GLN A 55 1.704 42.062 1.258 1.00 61.45 H new ATOM 0 HB3 GLN A 55 1.754 40.648 2.291 1.00 61.45 H new ATOM 0 HG2 GLN A 55 -0.440 39.897 1.207 1.00 43.53 H new ATOM 0 HG3 GLN A 55 -0.252 41.217 0.069 1.00 43.53 H new ATOM 0 HE21 GLN A 55 0.950 38.087 1.108 1.00 32.12 H new ATOM 0 HE22 GLN A 55 1.950 37.771 -0.313 1.00 32.12 H new ATOM 853 N THR A 56 -2.008 42.587 1.791 1.00 11.50 N ATOM 854 CA THR A 56 -3.091 43.467 1.282 1.00 13.34 C ATOM 855 C THR A 56 -3.987 43.935 2.456 1.00 12.30 C ATOM 856 O THR A 56 -5.105 43.457 2.659 1.00 22.42 O ATOM 857 CB THR A 56 -3.958 42.791 0.154 1.00 62.02 C ATOM 858 OG1 THR A 56 -4.603 41.593 0.635 1.00 21.02 O ATOM 859 CG2 THR A 56 -3.111 42.446 -1.087 1.00 34.03 C ATOM 0 H THR A 56 -2.272 41.604 1.856 1.00 11.50 H new ATOM 0 HA THR A 56 -2.611 44.330 0.821 1.00 13.34 H new ATOM 0 HB THR A 56 -4.718 43.518 -0.131 1.00 62.02 H new ATOM 0 HG1 THR A 56 -3.924 40.953 0.934 1.00 21.02 H new ATOM 0 HG21 THR A 56 -3.745 41.981 -1.842 1.00 34.03 H new ATOM 0 HG22 THR A 56 -2.672 43.357 -1.492 1.00 34.03 H new ATOM 0 HG23 THR A 56 -2.317 41.755 -0.805 1.00 34.03 H new ATOM 867 N TYR A 57 -3.429 44.848 3.255 1.00 44.43 N ATOM 868 CA TYR A 57 -4.109 45.450 4.427 1.00 12.41 C ATOM 869 C TYR A 57 -4.640 46.870 4.074 1.00 0.14 C ATOM 870 O TYR A 57 -4.067 47.525 3.195 1.00 55.51 O ATOM 871 CB TYR A 57 -3.130 45.504 5.645 1.00 10.23 C ATOM 872 CG TYR A 57 -1.896 46.423 5.464 1.00 20.24 C ATOM 873 CD1 TYR A 57 -0.774 46.003 4.740 1.00 34.13 C ATOM 874 CD2 TYR A 57 -1.862 47.711 6.016 1.00 12.53 C ATOM 875 CE1 TYR A 57 0.321 46.828 4.571 1.00 2.45 C ATOM 876 CE2 TYR A 57 -0.768 48.535 5.849 1.00 41.22 C ATOM 877 CZ TYR A 57 0.318 48.092 5.128 1.00 23.12 C ATOM 878 OH TYR A 57 1.410 48.916 4.963 1.00 72.03 O ATOM 0 H TYR A 57 -2.482 45.200 3.113 1.00 44.43 H new ATOM 0 HA TYR A 57 -4.962 44.829 4.700 1.00 12.41 H new ATOM 0 HB2 TYR A 57 -3.685 45.838 6.522 1.00 10.23 H new ATOM 0 HB3 TYR A 57 -2.781 44.493 5.855 1.00 10.23 H new ATOM 0 HD1 TYR A 57 -0.764 45.015 4.305 1.00 34.13 H new ATOM 0 HD2 TYR A 57 -2.710 48.066 6.584 1.00 12.53 H new ATOM 0 HE1 TYR A 57 1.176 46.486 4.006 1.00 2.45 H new ATOM 0 HE2 TYR A 57 -0.764 49.524 6.282 1.00 41.22 H new ATOM 0 HH TYR A 57 1.247 49.770 5.416 1.00 72.03 H new ATOM 888 N PRO A 58 -5.752 47.362 4.724 1.00 20.31 N ATOM 889 CA PRO A 58 -6.251 48.754 4.511 1.00 22.42 C ATOM 890 C PRO A 58 -5.164 49.822 4.838 1.00 61.24 C ATOM 891 O PRO A 58 -4.479 49.698 5.862 1.00 61.22 O ATOM 892 CB PRO A 58 -7.460 48.862 5.484 1.00 71.32 C ATOM 893 CG PRO A 58 -7.882 47.439 5.715 1.00 54.55 C ATOM 894 CD PRO A 58 -6.605 46.622 5.689 1.00 5.34 C ATOM 0 HA PRO A 58 -6.521 48.942 3.472 1.00 22.42 H new ATOM 0 HB2 PRO A 58 -7.177 49.349 6.417 1.00 71.32 H new ATOM 0 HB3 PRO A 58 -8.268 49.451 5.050 1.00 71.32 H new ATOM 0 HG2 PRO A 58 -8.395 47.333 6.671 1.00 54.55 H new ATOM 0 HG3 PRO A 58 -8.575 47.106 4.943 1.00 54.55 H new ATOM 0 HD2 PRO A 58 -6.143 46.565 6.674 1.00 5.34 H new ATOM 0 HD3 PRO A 58 -6.788 45.598 5.363 1.00 5.34 H new ATOM 902 N PRO A 59 -4.959 50.866 3.963 1.00 11.41 N ATOM 903 CA PRO A 59 -3.953 51.946 4.201 1.00 42.00 C ATOM 904 C PRO A 59 -4.152 52.698 5.545 1.00 13.04 C ATOM 905 O PRO A 59 -5.287 52.953 5.953 1.00 4.22 O ATOM 906 CB PRO A 59 -4.142 52.895 2.984 1.00 32.13 C ATOM 907 CG PRO A 59 -4.731 52.014 1.920 1.00 43.30 C ATOM 908 CD PRO A 59 -5.647 51.060 2.658 1.00 21.43 C ATOM 0 HA PRO A 59 -2.945 51.539 4.285 1.00 42.00 H new ATOM 0 HB2 PRO A 59 -4.805 53.726 3.226 1.00 32.13 H new ATOM 0 HB3 PRO A 59 -3.194 53.327 2.664 1.00 32.13 H new ATOM 0 HG2 PRO A 59 -5.282 52.600 1.184 1.00 43.30 H new ATOM 0 HG3 PRO A 59 -3.953 51.475 1.380 1.00 43.30 H new ATOM 0 HD2 PRO A 59 -6.645 51.480 2.788 1.00 21.43 H new ATOM 0 HD3 PRO A 59 -5.764 50.119 2.121 1.00 21.43 H new ATOM 916 N GLU A 60 -3.030 53.020 6.212 1.00 24.22 N ATOM 917 CA GLU A 60 -3.010 53.715 7.524 1.00 35.42 C ATOM 918 C GLU A 60 -3.772 55.077 7.498 1.00 31.02 C ATOM 919 O GLU A 60 -4.537 55.386 8.417 1.00 22.41 O ATOM 920 CB GLU A 60 -1.531 53.916 7.968 1.00 53.33 C ATOM 921 CG GLU A 60 -0.658 54.690 6.952 1.00 62.22 C ATOM 922 CD GLU A 60 0.800 54.868 7.401 1.00 21.02 C ATOM 923 OE1 GLU A 60 1.094 55.832 8.135 1.00 25.23 O ATOM 924 OE2 GLU A 60 1.657 54.038 7.031 1.00 32.52 O ATOM 0 H GLU A 60 -2.098 52.805 5.857 1.00 24.22 H new ATOM 0 HA GLU A 60 -3.536 53.089 8.245 1.00 35.42 H new ATOM 0 HB2 GLU A 60 -1.519 54.449 8.919 1.00 53.33 H new ATOM 0 HB3 GLU A 60 -1.081 52.939 8.145 1.00 53.33 H new ATOM 0 HG2 GLU A 60 -0.673 54.163 5.998 1.00 62.22 H new ATOM 0 HG3 GLU A 60 -1.099 55.672 6.781 1.00 62.22 H new ATOM 931 N SER A 61 -3.557 55.865 6.425 1.00 3.53 N ATOM 932 CA SER A 61 -4.197 57.190 6.203 1.00 30.02 C ATOM 933 C SER A 61 -4.146 57.543 4.685 1.00 2.11 C ATOM 934 O SER A 61 -3.134 58.122 4.222 1.00 73.25 O ATOM 935 CB SER A 61 -3.515 58.308 7.060 1.00 5.23 C ATOM 936 OG SER A 61 -3.742 58.133 8.454 1.00 20.55 O ATOM 937 OXT SER A 61 -5.102 57.214 3.950 1.00 37.68 O ATOM 0 H SER A 61 -2.923 55.599 5.671 1.00 3.53 H new ATOM 0 HA SER A 61 -5.237 57.132 6.523 1.00 30.02 H new ATOM 0 HB2 SER A 61 -2.442 58.308 6.866 1.00 5.23 H new ATOM 0 HB3 SER A 61 -3.895 59.282 6.752 1.00 5.23 H new ATOM 0 HG SER A 61 -4.139 57.251 8.613 1.00 20.55 H new TER 943 SER A 61