USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 626 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 61 ASN : amide:sc= 1.67 K(o=1.6,f=-5.9!) USER MOD Set 1.2: A 64 THR OG1 : rot -38:sc= -0.022 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0505) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.953 (180deg=0.574) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.276 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.368 F(o=-1.1,f=-0.37) USER MOD Single : A 50 CYS SG : rot 12:sc= 0.349 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -152:sc= 0 (180deg=-1.31) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.983 4.809 23.630 1.00 24.11 N ATOM 2 CA MET A 1 2.035 3.860 24.095 1.00 53.10 C ATOM 3 C MET A 1 1.962 2.521 23.339 1.00 21.33 C ATOM 4 O MET A 1 2.930 1.758 23.320 1.00 70.30 O ATOM 5 CB MET A 1 1.897 3.608 25.607 1.00 3.22 C ATOM 6 CG MET A 1 0.691 2.752 25.985 1.00 32.22 C ATOM 7 SD MET A 1 -0.869 3.448 25.408 1.00 22.01 S ATOM 8 CE MET A 1 -1.053 4.854 26.505 1.00 65.30 C ATOM 0 H1 MET A 1 1.260 5.781 23.874 1.00 24.11 H new ATOM 0 H2 MET A 1 0.874 4.729 22.599 1.00 24.11 H new ATOM 0 H3 MET A 1 0.080 4.580 24.092 1.00 24.11 H new ATOM 0 HA MET A 1 3.003 4.316 23.889 1.00 53.10 H new ATOM 0 HB2 MET A 1 2.803 3.121 25.968 1.00 3.22 H new ATOM 0 HB3 MET A 1 1.824 4.567 26.120 1.00 3.22 H new ATOM 0 HG2 MET A 1 0.815 1.753 25.566 1.00 32.22 H new ATOM 0 HG3 MET A 1 0.655 2.641 27.069 1.00 32.22 H new ATOM 0 HE1 MET A 1 -2.031 5.309 26.352 1.00 65.30 H new ATOM 0 HE2 MET A 1 -0.965 4.522 27.540 1.00 65.30 H new ATOM 0 HE3 MET A 1 -0.275 5.586 26.291 1.00 65.30 H new ATOM 20 N ALA A 2 0.811 2.245 22.716 1.00 34.44 N ATOM 21 CA ALA A 2 0.579 0.969 22.022 1.00 21.11 C ATOM 22 C ALA A 2 1.667 0.675 20.978 1.00 54.34 C ATOM 23 O ALA A 2 2.208 -0.431 20.924 1.00 74.25 O ATOM 24 CB ALA A 2 -0.800 0.968 21.371 1.00 3.01 C ATOM 0 H ALA A 2 0.021 2.890 22.677 1.00 34.44 H new ATOM 0 HA ALA A 2 0.624 0.175 22.768 1.00 21.11 H new ATOM 0 HB1 ALA A 2 -0.961 0.019 20.860 1.00 3.01 H new ATOM 0 HB2 ALA A 2 -1.564 1.102 22.137 1.00 3.01 H new ATOM 0 HB3 ALA A 2 -0.863 1.783 20.650 1.00 3.01 H new ATOM 30 N GLY A 3 1.978 1.668 20.151 1.00 42.42 N ATOM 31 CA GLY A 3 3.043 1.519 19.164 1.00 32.14 C ATOM 32 C GLY A 3 2.541 1.526 17.722 1.00 22.30 C ATOM 33 O GLY A 3 1.342 1.397 17.474 1.00 0.32 O ATOM 0 H GLY A 3 1.513 2.576 20.143 1.00 42.42 H new ATOM 0 HA2 GLY A 3 3.764 2.327 19.294 1.00 32.14 H new ATOM 0 HA3 GLY A 3 3.573 0.585 19.351 1.00 32.14 H new ATOM 37 N PRO A 4 3.450 1.681 16.741 1.00 60.43 N ATOM 38 CA PRO A 4 3.090 1.680 15.314 1.00 72.41 C ATOM 39 C PRO A 4 2.623 0.301 14.817 1.00 32.51 C ATOM 40 O PRO A 4 3.375 -0.429 14.172 1.00 24.54 O ATOM 41 CB PRO A 4 4.396 2.105 14.606 1.00 22.33 C ATOM 42 CG PRO A 4 5.280 2.636 15.690 1.00 55.33 C ATOM 43 CD PRO A 4 4.891 1.890 16.936 1.00 63.33 C ATOM 0 HA PRO A 4 2.249 2.344 15.113 1.00 72.41 H new ATOM 0 HB2 PRO A 4 4.861 1.260 14.098 1.00 22.33 H new ATOM 0 HB3 PRO A 4 4.203 2.865 13.849 1.00 22.33 H new ATOM 0 HG2 PRO A 4 6.331 2.477 15.451 1.00 55.33 H new ATOM 0 HG3 PRO A 4 5.141 3.710 15.817 1.00 55.33 H new ATOM 0 HD2 PRO A 4 5.429 0.947 17.030 1.00 63.33 H new ATOM 0 HD3 PRO A 4 5.100 2.467 17.837 1.00 63.33 H new ATOM 51 N GLU A 5 1.383 -0.060 15.140 1.00 51.23 N ATOM 52 CA GLU A 5 0.808 -1.337 14.700 1.00 13.22 C ATOM 53 C GLU A 5 0.599 -1.371 13.173 1.00 44.24 C ATOM 54 O GLU A 5 0.767 -2.416 12.532 1.00 43.21 O ATOM 55 CB GLU A 5 -0.523 -1.590 15.426 1.00 52.30 C ATOM 56 CG GLU A 5 -0.391 -1.698 16.946 1.00 64.30 C ATOM 57 CD GLU A 5 0.349 -2.952 17.393 1.00 54.11 C ATOM 58 OE1 GLU A 5 1.595 -2.921 17.492 1.00 14.21 O ATOM 59 OE2 GLU A 5 -0.315 -3.980 17.656 1.00 65.44 O ATOM 0 H GLU A 5 0.754 0.511 15.705 1.00 51.23 H new ATOM 0 HA GLU A 5 1.514 -2.128 14.953 1.00 13.22 H new ATOM 0 HB2 GLU A 5 -1.214 -0.782 15.188 1.00 52.30 H new ATOM 0 HB3 GLU A 5 -0.965 -2.510 15.044 1.00 52.30 H new ATOM 0 HG2 GLU A 5 0.134 -0.820 17.323 1.00 64.30 H new ATOM 0 HG3 GLU A 5 -1.385 -1.691 17.393 1.00 64.30 H new ATOM 66 N GLY A 6 0.244 -0.223 12.598 1.00 65.11 N ATOM 67 CA GLY A 6 0.030 -0.130 11.157 1.00 11.00 C ATOM 68 C GLY A 6 0.398 1.236 10.586 1.00 21.32 C ATOM 69 O GLY A 6 0.580 2.200 11.332 1.00 44.14 O ATOM 0 H GLY A 6 0.099 0.650 13.105 1.00 65.11 H new ATOM 0 HA2 GLY A 6 0.621 -0.898 10.657 1.00 11.00 H new ATOM 0 HA3 GLY A 6 -1.017 -0.340 10.937 1.00 11.00 H new ATOM 73 N PHE A 7 0.504 1.318 9.259 1.00 54.30 N ATOM 74 CA PHE A 7 0.883 2.561 8.569 1.00 22.35 C ATOM 75 C PHE A 7 -0.100 2.883 7.424 1.00 30.43 C ATOM 76 O PHE A 7 -0.659 1.978 6.804 1.00 13.32 O ATOM 77 CB PHE A 7 2.308 2.434 8.006 1.00 23.01 C ATOM 78 CG PHE A 7 3.334 2.009 9.030 1.00 13.14 C ATOM 79 CD1 PHE A 7 3.928 2.942 9.868 1.00 55.22 C ATOM 80 CD2 PHE A 7 3.703 0.675 9.154 1.00 45.42 C ATOM 81 CE1 PHE A 7 4.864 2.555 10.810 1.00 1.53 C ATOM 82 CE2 PHE A 7 4.639 0.284 10.094 1.00 74.44 C ATOM 83 CZ PHE A 7 5.220 1.225 10.922 1.00 1.42 C ATOM 0 H PHE A 7 0.332 0.532 8.632 1.00 54.30 H new ATOM 0 HA PHE A 7 0.847 3.375 9.293 1.00 22.35 H new ATOM 0 HB2 PHE A 7 2.303 1.712 7.190 1.00 23.01 H new ATOM 0 HB3 PHE A 7 2.607 3.392 7.582 1.00 23.01 H new ATOM 0 HD1 PHE A 7 3.656 3.984 9.784 1.00 55.22 H new ATOM 0 HD2 PHE A 7 3.254 -0.065 8.509 1.00 45.42 H new ATOM 0 HE1 PHE A 7 5.316 3.292 11.457 1.00 1.53 H new ATOM 0 HE2 PHE A 7 4.916 -0.756 10.181 1.00 74.44 H new ATOM 0 HZ PHE A 7 5.952 0.921 11.656 1.00 1.42 H new ATOM 93 N GLN A 8 -0.318 4.172 7.148 1.00 15.32 N ATOM 94 CA GLN A 8 -1.206 4.589 6.047 1.00 65.14 C ATOM 95 C GLN A 8 -0.415 5.070 4.819 1.00 23.11 C ATOM 96 O GLN A 8 0.635 5.703 4.944 1.00 0.31 O ATOM 97 CB GLN A 8 -2.170 5.694 6.502 1.00 53.21 C ATOM 98 CG GLN A 8 -3.261 5.216 7.453 1.00 70.40 C ATOM 99 CD GLN A 8 -4.330 6.269 7.708 1.00 50.13 C ATOM 100 OE1 GLN A 8 -4.065 7.468 7.682 1.00 1.45 O ATOM 101 NE2 GLN A 8 -5.548 5.831 7.950 1.00 34.43 N ATOM 0 H GLN A 8 0.103 4.944 7.665 1.00 15.32 H new ATOM 0 HA GLN A 8 -1.780 3.708 5.760 1.00 65.14 H new ATOM 0 HB2 GLN A 8 -1.597 6.482 6.990 1.00 53.21 H new ATOM 0 HB3 GLN A 8 -2.638 6.138 5.623 1.00 53.21 H new ATOM 0 HG2 GLN A 8 -3.730 4.323 7.040 1.00 70.40 H new ATOM 0 HG3 GLN A 8 -2.808 4.929 8.402 1.00 70.40 H new ATOM 0 HE21 GLN A 8 -5.736 4.829 7.965 1.00 34.43 H new ATOM 0 HE22 GLN A 8 -6.304 6.494 8.123 1.00 34.43 H new ATOM 110 N TYR A 9 -0.939 4.766 3.633 1.00 72.10 N ATOM 111 CA TYR A 9 -0.323 5.176 2.364 1.00 74.01 C ATOM 112 C TYR A 9 -1.373 5.800 1.426 1.00 35.14 C ATOM 113 O TYR A 9 -2.398 5.187 1.143 1.00 25.41 O ATOM 114 CB TYR A 9 0.325 3.962 1.684 1.00 63.54 C ATOM 115 CG TYR A 9 1.397 3.282 2.520 1.00 72.55 C ATOM 116 CD1 TYR A 9 2.722 3.707 2.474 1.00 11.30 C ATOM 117 CD2 TYR A 9 1.082 2.217 3.361 1.00 3.33 C ATOM 118 CE1 TYR A 9 3.697 3.093 3.235 1.00 3.24 C ATOM 119 CE2 TYR A 9 2.054 1.600 4.125 1.00 64.23 C ATOM 120 CZ TYR A 9 3.359 2.042 4.059 1.00 14.00 C ATOM 121 OH TYR A 9 4.327 1.429 4.820 1.00 21.22 O ATOM 0 H TYR A 9 -1.800 4.230 3.520 1.00 72.10 H new ATOM 0 HA TYR A 9 0.441 5.924 2.576 1.00 74.01 H new ATOM 0 HB2 TYR A 9 -0.451 3.235 1.446 1.00 63.54 H new ATOM 0 HB3 TYR A 9 0.764 4.280 0.738 1.00 63.54 H new ATOM 0 HD1 TYR A 9 2.992 4.532 1.831 1.00 11.30 H new ATOM 0 HD2 TYR A 9 0.061 1.868 3.417 1.00 3.33 H new ATOM 0 HE1 TYR A 9 4.720 3.435 3.184 1.00 3.24 H new ATOM 0 HE2 TYR A 9 1.793 0.775 4.771 1.00 64.23 H new ATOM 0 HH TYR A 9 3.922 0.708 5.345 1.00 21.22 H new ATOM 131 N ARG A 10 -1.119 7.017 0.939 1.00 44.22 N ATOM 132 CA ARG A 10 -2.089 7.719 0.078 1.00 22.23 C ATOM 133 C ARG A 10 -1.739 7.576 -1.411 1.00 73.13 C ATOM 134 O ARG A 10 -0.698 8.055 -1.858 1.00 63.24 O ATOM 135 CB ARG A 10 -2.158 9.209 0.447 1.00 1.44 C ATOM 136 CG ARG A 10 -3.207 9.991 -0.345 1.00 2.32 C ATOM 137 CD ARG A 10 -3.241 11.467 0.050 1.00 55.34 C ATOM 138 NE ARG A 10 -1.982 12.152 -0.259 1.00 52.31 N ATOM 139 CZ ARG A 10 -1.228 12.747 0.631 1.00 62.44 C ATOM 140 NH1 ARG A 10 -1.591 12.796 1.872 1.00 3.32 N ATOM 141 NH2 ARG A 10 -0.117 13.302 0.272 1.00 74.24 N ATOM 0 H ARG A 10 -0.261 7.537 1.121 1.00 44.22 H new ATOM 0 HA ARG A 10 -3.061 7.256 0.246 1.00 22.23 H new ATOM 0 HB2 ARG A 10 -2.376 9.301 1.511 1.00 1.44 H new ATOM 0 HB3 ARG A 10 -1.180 9.661 0.282 1.00 1.44 H new ATOM 0 HG2 ARG A 10 -2.994 9.906 -1.411 1.00 2.32 H new ATOM 0 HG3 ARG A 10 -4.190 9.549 -0.180 1.00 2.32 H new ATOM 0 HD2 ARG A 10 -4.060 11.962 -0.472 1.00 55.34 H new ATOM 0 HD3 ARG A 10 -3.446 11.551 1.117 1.00 55.34 H new ATOM 0 HE ARG A 10 -1.673 12.166 -1.231 1.00 52.31 H new ATOM 0 HH11 ARG A 10 -2.470 12.369 2.163 1.00 3.32 H new ATOM 0 HH12 ARG A 10 -0.998 13.261 2.559 1.00 3.32 H new ATOM 0 HH21 ARG A 10 0.173 13.277 -0.706 1.00 74.24 H new ATOM 0 HH22 ARG A 10 0.469 13.765 0.966 1.00 74.24 H new ATOM 155 N ALA A 11 -2.618 6.929 -2.175 1.00 23.15 N ATOM 156 CA ALA A 11 -2.416 6.753 -3.619 1.00 63.52 C ATOM 157 C ALA A 11 -2.565 8.086 -4.375 1.00 44.41 C ATOM 158 O ALA A 11 -3.649 8.667 -4.425 1.00 20.51 O ATOM 159 CB ALA A 11 -3.396 5.716 -4.160 1.00 72.32 C ATOM 0 H ALA A 11 -3.480 6.516 -1.820 1.00 23.15 H new ATOM 0 HA ALA A 11 -1.398 6.398 -3.779 1.00 63.52 H new ATOM 0 HB1 ALA A 11 -3.239 5.592 -5.231 1.00 72.32 H new ATOM 0 HB2 ALA A 11 -3.232 4.763 -3.656 1.00 72.32 H new ATOM 0 HB3 ALA A 11 -4.417 6.051 -3.979 1.00 72.32 H new ATOM 165 N LEU A 12 -1.468 8.564 -4.957 1.00 22.53 N ATOM 166 CA LEU A 12 -1.455 9.852 -5.663 1.00 2.22 C ATOM 167 C LEU A 12 -2.084 9.760 -7.063 1.00 3.40 C ATOM 168 O LEU A 12 -2.786 10.673 -7.501 1.00 60.41 O ATOM 169 CB LEU A 12 -0.015 10.370 -5.785 1.00 64.00 C ATOM 170 CG LEU A 12 0.718 10.596 -4.454 1.00 12.15 C ATOM 171 CD1 LEU A 12 2.131 11.121 -4.700 1.00 1.33 C ATOM 172 CD2 LEU A 12 -0.069 11.554 -3.559 1.00 14.51 C ATOM 0 H LEU A 12 -0.570 8.080 -4.956 1.00 22.53 H new ATOM 0 HA LEU A 12 -2.056 10.545 -5.074 1.00 2.22 H new ATOM 0 HB2 LEU A 12 0.559 9.661 -6.381 1.00 64.00 H new ATOM 0 HB3 LEU A 12 -0.030 11.310 -6.336 1.00 64.00 H new ATOM 0 HG LEU A 12 0.796 9.638 -3.939 1.00 12.15 H new ATOM 0 HD11 LEU A 12 2.633 11.275 -3.745 1.00 1.33 H new ATOM 0 HD12 LEU A 12 2.690 10.397 -5.292 1.00 1.33 H new ATOM 0 HD13 LEU A 12 2.079 12.067 -5.239 1.00 1.33 H new ATOM 0 HD21 LEU A 12 0.468 11.700 -2.622 1.00 14.51 H new ATOM 0 HD22 LEU A 12 -0.184 12.513 -4.065 1.00 14.51 H new ATOM 0 HD23 LEU A 12 -1.053 11.133 -3.352 1.00 14.51 H new ATOM 184 N TYR A 13 -1.824 8.661 -7.768 1.00 33.53 N ATOM 185 CA TYR A 13 -2.299 8.493 -9.148 1.00 44.31 C ATOM 186 C TYR A 13 -3.087 7.185 -9.323 1.00 34.21 C ATOM 187 O TYR A 13 -2.773 6.176 -8.689 1.00 11.25 O ATOM 188 CB TYR A 13 -1.105 8.516 -10.116 1.00 51.33 C ATOM 189 CG TYR A 13 -0.339 9.829 -10.099 1.00 52.31 C ATOM 190 CD1 TYR A 13 -0.802 10.932 -10.809 1.00 42.12 C ATOM 191 CD2 TYR A 13 0.839 9.968 -9.368 1.00 62.44 C ATOM 192 CE1 TYR A 13 -0.120 12.130 -10.787 1.00 52.24 C ATOM 193 CE2 TYR A 13 1.527 11.166 -9.346 1.00 61.23 C ATOM 194 CZ TYR A 13 1.043 12.243 -10.058 1.00 51.05 C ATOM 195 OH TYR A 13 1.714 13.443 -10.033 1.00 72.13 O ATOM 0 H TYR A 13 -1.287 7.871 -7.410 1.00 33.53 H new ATOM 0 HA TYR A 13 -2.972 9.320 -9.372 1.00 44.31 H new ATOM 0 HB2 TYR A 13 -0.424 7.704 -9.861 1.00 51.33 H new ATOM 0 HB3 TYR A 13 -1.463 8.326 -11.128 1.00 51.33 H new ATOM 0 HD1 TYR A 13 -1.711 10.849 -11.387 1.00 42.12 H new ATOM 0 HD2 TYR A 13 1.220 9.126 -8.810 1.00 62.44 H new ATOM 0 HE1 TYR A 13 -0.497 12.978 -11.340 1.00 52.24 H new ATOM 0 HE2 TYR A 13 2.439 11.258 -8.774 1.00 61.23 H new ATOM 0 HH TYR A 13 2.514 13.359 -9.473 1.00 72.13 H new ATOM 205 N PRO A 14 -4.121 7.183 -10.193 1.00 54.32 N ATOM 206 CA PRO A 14 -4.915 5.974 -10.474 1.00 72.23 C ATOM 207 C PRO A 14 -4.090 4.883 -11.177 1.00 70.54 C ATOM 208 O PRO A 14 -3.383 5.148 -12.152 1.00 33.12 O ATOM 209 CB PRO A 14 -6.047 6.483 -11.381 1.00 3.11 C ATOM 210 CG PRO A 14 -5.519 7.741 -11.992 1.00 62.21 C ATOM 211 CD PRO A 14 -4.593 8.348 -10.969 1.00 22.00 C ATOM 0 HA PRO A 14 -5.277 5.502 -9.560 1.00 72.23 H new ATOM 0 HB2 PRO A 14 -6.300 5.749 -12.146 1.00 3.11 H new ATOM 0 HB3 PRO A 14 -6.955 6.673 -10.809 1.00 3.11 H new ATOM 0 HG2 PRO A 14 -4.989 7.530 -12.921 1.00 62.21 H new ATOM 0 HG3 PRO A 14 -6.331 8.426 -12.237 1.00 62.21 H new ATOM 0 HD2 PRO A 14 -3.765 8.877 -11.441 1.00 22.00 H new ATOM 0 HD3 PRO A 14 -5.112 9.068 -10.336 1.00 22.00 H new ATOM 219 N PHE A 15 -4.176 3.658 -10.672 1.00 71.12 N ATOM 220 CA PHE A 15 -3.418 2.540 -11.231 1.00 65.40 C ATOM 221 C PHE A 15 -4.297 1.299 -11.417 1.00 55.14 C ATOM 222 O PHE A 15 -4.839 0.758 -10.449 1.00 71.52 O ATOM 223 CB PHE A 15 -2.224 2.205 -10.322 1.00 25.24 C ATOM 224 CG PHE A 15 -1.429 1.009 -10.784 1.00 4.34 C ATOM 225 CD1 PHE A 15 -0.545 1.117 -11.847 1.00 11.32 C ATOM 226 CD2 PHE A 15 -1.569 -0.224 -10.159 1.00 54.34 C ATOM 227 CE1 PHE A 15 0.178 0.023 -12.279 1.00 15.22 C ATOM 228 CE2 PHE A 15 -0.846 -1.320 -10.587 1.00 32.50 C ATOM 229 CZ PHE A 15 0.029 -1.196 -11.648 1.00 2.44 C ATOM 0 H PHE A 15 -4.763 3.411 -9.875 1.00 71.12 H new ATOM 0 HA PHE A 15 -3.054 2.843 -12.213 1.00 65.40 H new ATOM 0 HB2 PHE A 15 -1.564 3.071 -10.270 1.00 25.24 H new ATOM 0 HB3 PHE A 15 -2.588 2.020 -9.311 1.00 25.24 H new ATOM 0 HD1 PHE A 15 -0.421 2.068 -12.343 1.00 11.32 H new ATOM 0 HD2 PHE A 15 -2.252 -0.327 -9.328 1.00 54.34 H new ATOM 0 HE1 PHE A 15 0.860 0.121 -13.111 1.00 15.22 H new ATOM 0 HE2 PHE A 15 -0.965 -2.273 -10.093 1.00 32.50 H new ATOM 0 HZ PHE A 15 0.596 -2.052 -11.984 1.00 2.44 H new ATOM 239 N ARG A 16 -4.445 0.862 -12.664 1.00 61.40 N ATOM 240 CA ARG A 16 -5.113 -0.405 -12.958 1.00 71.03 C ATOM 241 C ARG A 16 -4.159 -1.573 -12.664 1.00 14.22 C ATOM 242 O ARG A 16 -2.998 -1.565 -13.080 1.00 24.23 O ATOM 243 CB ARG A 16 -5.593 -0.449 -14.418 1.00 41.14 C ATOM 244 CG ARG A 16 -4.469 -0.434 -15.455 1.00 31.51 C ATOM 245 CD ARG A 16 -5.006 -0.584 -16.874 1.00 3.34 C ATOM 246 NE ARG A 16 -5.858 -1.766 -17.015 1.00 22.02 N ATOM 247 CZ ARG A 16 -5.586 -2.793 -17.776 1.00 32.42 C ATOM 248 NH1 ARG A 16 -4.507 -2.829 -18.487 1.00 11.20 N ATOM 249 NH2 ARG A 16 -6.412 -3.785 -17.827 1.00 1.21 N ATOM 0 H ARG A 16 -4.113 1.364 -13.487 1.00 61.40 H new ATOM 0 HA ARG A 16 -5.991 -0.494 -12.319 1.00 71.03 H new ATOM 0 HB2 ARG A 16 -6.193 -1.348 -14.563 1.00 41.14 H new ATOM 0 HB3 ARG A 16 -6.248 0.404 -14.598 1.00 41.14 H new ATOM 0 HG2 ARG A 16 -3.912 0.499 -15.374 1.00 31.51 H new ATOM 0 HG3 ARG A 16 -3.769 -1.242 -15.244 1.00 31.51 H new ATOM 0 HD2 ARG A 16 -5.574 0.307 -17.143 1.00 3.34 H new ATOM 0 HD3 ARG A 16 -4.172 -0.653 -17.572 1.00 3.34 H new ATOM 0 HE ARG A 16 -6.727 -1.790 -16.481 1.00 22.02 H new ATOM 0 HH11 ARG A 16 -3.852 -2.048 -18.460 1.00 11.20 H new ATOM 0 HH12 ARG A 16 -4.311 -3.639 -19.075 1.00 11.20 H new ATOM 0 HH21 ARG A 16 -7.270 -3.763 -17.276 1.00 1.21 H new ATOM 0 HH22 ARG A 16 -6.206 -4.590 -18.419 1.00 1.21 H new ATOM 263 N ARG A 17 -4.644 -2.569 -11.938 1.00 14.21 N ATOM 264 CA ARG A 17 -3.789 -3.670 -11.477 1.00 3.33 C ATOM 265 C ARG A 17 -3.403 -4.619 -12.625 1.00 23.33 C ATOM 266 O ARG A 17 -4.142 -4.768 -13.598 1.00 53.44 O ATOM 267 CB ARG A 17 -4.502 -4.453 -10.356 1.00 12.14 C ATOM 268 CG ARG A 17 -3.624 -4.750 -9.138 1.00 2.34 C ATOM 269 CD ARG A 17 -2.443 -5.653 -9.468 1.00 74.22 C ATOM 270 NE ARG A 17 -1.645 -5.963 -8.286 1.00 23.13 N ATOM 271 CZ ARG A 17 -0.569 -6.704 -8.299 1.00 54.13 C ATOM 272 NH1 ARG A 17 -0.108 -7.186 -9.410 1.00 10.02 N ATOM 273 NH2 ARG A 17 0.055 -6.953 -7.200 1.00 24.40 N ATOM 0 H ARG A 17 -5.620 -2.644 -11.652 1.00 14.21 H new ATOM 0 HA ARG A 17 -2.867 -3.235 -11.090 1.00 3.33 H new ATOM 0 HB2 ARG A 17 -5.374 -3.886 -10.031 1.00 12.14 H new ATOM 0 HB3 ARG A 17 -4.868 -5.395 -10.763 1.00 12.14 H new ATOM 0 HG2 ARG A 17 -3.254 -3.812 -8.725 1.00 2.34 H new ATOM 0 HG3 ARG A 17 -4.231 -5.221 -8.365 1.00 2.34 H new ATOM 0 HD2 ARG A 17 -2.808 -6.579 -9.912 1.00 74.22 H new ATOM 0 HD3 ARG A 17 -1.813 -5.168 -10.214 1.00 74.22 H new ATOM 0 HE ARG A 17 -1.947 -5.576 -7.392 1.00 23.13 H new ATOM 0 HH11 ARG A 17 -0.586 -6.988 -10.289 1.00 10.02 H new ATOM 0 HH12 ARG A 17 0.733 -7.763 -9.405 1.00 10.02 H new ATOM 0 HH21 ARG A 17 -0.291 -6.572 -6.319 1.00 24.40 H new ATOM 0 HH22 ARG A 17 0.895 -7.532 -7.210 1.00 24.40 H new ATOM 287 N GLU A 18 -2.231 -5.252 -12.489 1.00 63.12 N ATOM 288 CA GLU A 18 -1.768 -6.306 -13.412 1.00 4.50 C ATOM 289 C GLU A 18 -2.878 -7.337 -13.698 1.00 44.14 C ATOM 290 O GLU A 18 -2.890 -7.996 -14.743 1.00 62.21 O ATOM 291 CB GLU A 18 -0.558 -7.022 -12.786 1.00 21.13 C ATOM 292 CG GLU A 18 0.296 -7.812 -13.770 1.00 72.34 C ATOM 293 CD GLU A 18 1.167 -6.909 -14.627 1.00 41.35 C ATOM 294 OE1 GLU A 18 2.048 -6.225 -14.062 1.00 21.53 O ATOM 295 OE2 GLU A 18 0.975 -6.867 -15.859 1.00 60.23 O ATOM 0 H GLU A 18 -1.573 -5.050 -11.736 1.00 63.12 H new ATOM 0 HA GLU A 18 -1.492 -5.838 -14.357 1.00 4.50 H new ATOM 0 HB2 GLU A 18 0.071 -6.280 -12.295 1.00 21.13 H new ATOM 0 HB3 GLU A 18 -0.916 -7.700 -12.011 1.00 21.13 H new ATOM 0 HG2 GLU A 18 0.928 -8.510 -13.221 1.00 72.34 H new ATOM 0 HG3 GLU A 18 -0.351 -8.407 -14.414 1.00 72.34 H new ATOM 302 N ARG A 19 -3.798 -7.475 -12.744 1.00 12.23 N ATOM 303 CA ARG A 19 -4.924 -8.396 -12.861 1.00 42.24 C ATOM 304 C ARG A 19 -6.076 -7.947 -11.939 1.00 64.24 C ATOM 305 O ARG A 19 -5.848 -7.646 -10.766 1.00 15.53 O ATOM 306 CB ARG A 19 -4.463 -9.817 -12.509 1.00 10.34 C ATOM 307 CG ARG A 19 -5.519 -10.894 -12.724 1.00 35.13 C ATOM 308 CD ARG A 19 -4.914 -12.292 -12.655 1.00 34.43 C ATOM 309 NE ARG A 19 -3.910 -12.496 -13.702 1.00 64.24 N ATOM 310 CZ ARG A 19 -3.444 -13.662 -14.058 1.00 42.31 C ATOM 311 NH1 ARG A 19 -3.826 -14.738 -13.452 1.00 75.32 N ATOM 312 NH2 ARG A 19 -2.581 -13.743 -15.021 1.00 53.41 N ATOM 0 H ARG A 19 -3.782 -6.951 -11.869 1.00 12.23 H new ATOM 0 HA ARG A 19 -5.292 -8.392 -13.887 1.00 42.24 H new ATOM 0 HB2 ARG A 19 -3.586 -10.060 -13.109 1.00 10.34 H new ATOM 0 HB3 ARG A 19 -4.150 -9.836 -11.465 1.00 10.34 H new ATOM 0 HG2 ARG A 19 -6.299 -10.796 -11.969 1.00 35.13 H new ATOM 0 HG3 ARG A 19 -5.995 -10.750 -13.694 1.00 35.13 H new ATOM 0 HD2 ARG A 19 -4.457 -12.444 -11.677 1.00 34.43 H new ATOM 0 HD3 ARG A 19 -5.704 -13.036 -12.757 1.00 34.43 H new ATOM 0 HE ARG A 19 -3.551 -11.672 -14.185 1.00 64.24 H new ATOM 0 HH11 ARG A 19 -4.498 -14.681 -12.687 1.00 75.32 H new ATOM 0 HH12 ARG A 19 -3.455 -15.644 -13.739 1.00 75.32 H new ATOM 0 HH21 ARG A 19 -2.268 -12.897 -15.498 1.00 53.41 H new ATOM 0 HH22 ARG A 19 -2.214 -14.652 -15.302 1.00 53.41 H new ATOM 326 N PRO A 20 -7.326 -7.888 -12.456 1.00 23.11 N ATOM 327 CA PRO A 20 -8.508 -7.452 -11.668 1.00 31.14 C ATOM 328 C PRO A 20 -8.741 -8.276 -10.386 1.00 4.20 C ATOM 329 O PRO A 20 -9.588 -7.933 -9.561 1.00 12.43 O ATOM 330 CB PRO A 20 -9.678 -7.644 -12.649 1.00 41.24 C ATOM 331 CG PRO A 20 -9.052 -7.599 -14.002 1.00 13.32 C ATOM 332 CD PRO A 20 -7.692 -8.222 -13.846 1.00 73.43 C ATOM 0 HA PRO A 20 -8.384 -6.431 -11.308 1.00 31.14 H new ATOM 0 HB2 PRO A 20 -10.185 -8.594 -12.479 1.00 41.24 H new ATOM 0 HB3 PRO A 20 -10.425 -6.859 -12.532 1.00 41.24 H new ATOM 0 HG2 PRO A 20 -9.652 -8.147 -14.729 1.00 13.32 H new ATOM 0 HG3 PRO A 20 -8.973 -6.573 -14.362 1.00 13.32 H new ATOM 0 HD2 PRO A 20 -7.722 -9.300 -14.007 1.00 73.43 H new ATOM 0 HD3 PRO A 20 -6.977 -7.813 -14.560 1.00 73.43 H new ATOM 340 N GLU A 21 -7.997 -9.369 -10.243 1.00 34.15 N ATOM 341 CA GLU A 21 -8.064 -10.219 -9.049 1.00 44.00 C ATOM 342 C GLU A 21 -7.478 -9.507 -7.811 1.00 75.24 C ATOM 343 O GLU A 21 -7.924 -9.736 -6.683 1.00 24.42 O ATOM 344 CB GLU A 21 -7.311 -11.533 -9.318 1.00 45.51 C ATOM 345 CG GLU A 21 -7.322 -12.522 -8.155 1.00 61.25 C ATOM 346 CD GLU A 21 -6.642 -13.837 -8.504 1.00 73.52 C ATOM 347 OE1 GLU A 21 -5.401 -13.919 -8.402 1.00 5.13 O ATOM 348 OE2 GLU A 21 -7.343 -14.790 -8.905 1.00 32.11 O ATOM 0 H GLU A 21 -7.332 -9.693 -10.946 1.00 34.15 H new ATOM 0 HA GLU A 21 -9.111 -10.432 -8.835 1.00 44.00 H new ATOM 0 HB2 GLU A 21 -7.749 -12.015 -10.192 1.00 45.51 H new ATOM 0 HB3 GLU A 21 -6.276 -11.299 -9.569 1.00 45.51 H new ATOM 0 HG2 GLU A 21 -6.822 -12.074 -7.296 1.00 61.25 H new ATOM 0 HG3 GLU A 21 -8.352 -12.717 -7.857 1.00 61.25 H new ATOM 355 N ASP A 22 -6.494 -8.633 -8.034 1.00 0.04 N ATOM 356 CA ASP A 22 -5.804 -7.934 -6.941 1.00 12.12 C ATOM 357 C ASP A 22 -6.390 -6.525 -6.686 1.00 34.12 C ATOM 358 O ASP A 22 -7.483 -6.195 -7.152 1.00 71.33 O ATOM 359 CB ASP A 22 -4.310 -7.844 -7.265 1.00 43.14 C ATOM 360 CG ASP A 22 -3.692 -9.212 -7.499 1.00 3.13 C ATOM 361 OD1 ASP A 22 -3.402 -9.916 -6.508 1.00 43.50 O ATOM 362 OD2 ASP A 22 -3.491 -9.588 -8.676 1.00 10.31 O ATOM 0 H ASP A 22 -6.154 -8.390 -8.965 1.00 0.04 H new ATOM 0 HA ASP A 22 -5.951 -8.506 -6.025 1.00 12.12 H new ATOM 0 HB2 ASP A 22 -4.169 -7.226 -8.152 1.00 43.14 H new ATOM 0 HB3 ASP A 22 -3.791 -7.348 -6.445 1.00 43.14 H new ATOM 367 N LEU A 23 -5.643 -5.694 -5.951 1.00 35.33 N ATOM 368 CA LEU A 23 -6.128 -4.375 -5.515 1.00 52.42 C ATOM 369 C LEU A 23 -5.596 -3.238 -6.410 1.00 44.22 C ATOM 370 O LEU A 23 -4.396 -3.141 -6.672 1.00 73.24 O ATOM 371 CB LEU A 23 -5.715 -4.138 -4.051 1.00 12.22 C ATOM 372 CG LEU A 23 -6.066 -2.758 -3.466 1.00 72.15 C ATOM 373 CD1 LEU A 23 -7.556 -2.468 -3.598 1.00 11.42 C ATOM 374 CD2 LEU A 23 -5.632 -2.675 -2.004 1.00 1.02 C ATOM 0 H LEU A 23 -4.695 -5.911 -5.643 1.00 35.33 H new ATOM 0 HA LEU A 23 -7.215 -4.369 -5.600 1.00 52.42 H new ATOM 0 HB2 LEU A 23 -6.185 -4.903 -3.433 1.00 12.22 H new ATOM 0 HB3 LEU A 23 -4.637 -4.281 -3.970 1.00 12.22 H new ATOM 0 HG LEU A 23 -5.526 -2.002 -4.035 1.00 72.15 H new ATOM 0 HD11 LEU A 23 -7.774 -1.487 -3.176 1.00 11.42 H new ATOM 0 HD12 LEU A 23 -7.837 -2.481 -4.651 1.00 11.42 H new ATOM 0 HD13 LEU A 23 -8.124 -3.228 -3.061 1.00 11.42 H new ATOM 0 HD21 LEU A 23 -5.887 -1.694 -1.604 1.00 1.02 H new ATOM 0 HD22 LEU A 23 -6.144 -3.446 -1.428 1.00 1.02 H new ATOM 0 HD23 LEU A 23 -4.555 -2.826 -1.935 1.00 1.02 H new ATOM 386 N GLU A 24 -6.507 -2.375 -6.866 1.00 14.24 N ATOM 387 CA GLU A 24 -6.156 -1.250 -7.749 1.00 15.00 C ATOM 388 C GLU A 24 -6.082 0.073 -6.964 1.00 40.54 C ATOM 389 O GLU A 24 -6.544 0.157 -5.825 1.00 25.41 O ATOM 390 CB GLU A 24 -7.183 -1.145 -8.889 1.00 34.51 C ATOM 391 CG GLU A 24 -7.380 -2.455 -9.647 1.00 0.22 C ATOM 392 CD GLU A 24 -8.324 -2.333 -10.830 1.00 14.10 C ATOM 393 OE1 GLU A 24 -9.543 -2.163 -10.610 1.00 10.21 O ATOM 394 OE2 GLU A 24 -7.852 -2.404 -11.990 1.00 52.43 O ATOM 0 H GLU A 24 -7.500 -2.431 -6.639 1.00 14.24 H new ATOM 0 HA GLU A 24 -5.169 -1.438 -8.172 1.00 15.00 H new ATOM 0 HB2 GLU A 24 -8.140 -0.824 -8.478 1.00 34.51 H new ATOM 0 HB3 GLU A 24 -6.861 -0.373 -9.588 1.00 34.51 H new ATOM 0 HG2 GLU A 24 -6.412 -2.811 -10.000 1.00 0.22 H new ATOM 0 HG3 GLU A 24 -7.766 -3.209 -8.960 1.00 0.22 H new ATOM 401 N LEU A 25 -5.506 1.108 -7.578 1.00 51.45 N ATOM 402 CA LEU A 25 -5.279 2.393 -6.889 1.00 22.22 C ATOM 403 C LEU A 25 -6.098 3.549 -7.501 1.00 41.12 C ATOM 404 O LEU A 25 -6.278 3.626 -8.719 1.00 43.21 O ATOM 405 CB LEU A 25 -3.781 2.751 -6.920 1.00 4.11 C ATOM 406 CG LEU A 25 -2.843 1.727 -6.256 1.00 14.24 C ATOM 407 CD1 LEU A 25 -1.382 2.154 -6.395 1.00 44.55 C ATOM 408 CD2 LEU A 25 -3.212 1.533 -4.787 1.00 35.13 C ATOM 0 H LEU A 25 -5.187 1.089 -8.547 1.00 51.45 H new ATOM 0 HA LEU A 25 -5.614 2.264 -5.860 1.00 22.22 H new ATOM 0 HB2 LEU A 25 -3.476 2.877 -7.959 1.00 4.11 H new ATOM 0 HB3 LEU A 25 -3.645 3.715 -6.429 1.00 4.11 H new ATOM 0 HG LEU A 25 -2.965 0.773 -6.769 1.00 14.24 H new ATOM 0 HD11 LEU A 25 -0.740 1.414 -5.918 1.00 44.55 H new ATOM 0 HD12 LEU A 25 -1.124 2.231 -7.451 1.00 44.55 H new ATOM 0 HD13 LEU A 25 -1.239 3.122 -5.915 1.00 44.55 H new ATOM 0 HD21 LEU A 25 -2.537 0.806 -4.335 1.00 35.13 H new ATOM 0 HD22 LEU A 25 -3.125 2.484 -4.261 1.00 35.13 H new ATOM 0 HD23 LEU A 25 -4.238 1.171 -4.714 1.00 35.13 H new ATOM 420 N LEU A 26 -6.591 4.443 -6.639 1.00 42.55 N ATOM 421 CA LEU A 26 -7.316 5.656 -7.067 1.00 11.20 C ATOM 422 C LEU A 26 -6.614 6.926 -6.537 1.00 43.44 C ATOM 423 O LEU A 26 -5.979 6.890 -5.485 1.00 23.22 O ATOM 424 CB LEU A 26 -8.783 5.617 -6.579 1.00 60.31 C ATOM 425 CG LEU A 26 -9.779 4.834 -7.463 1.00 3.32 C ATOM 426 CD1 LEU A 26 -9.861 5.446 -8.858 1.00 70.21 C ATOM 427 CD2 LEU A 26 -9.412 3.356 -7.549 1.00 11.01 C ATOM 0 H LEU A 26 -6.502 4.352 -5.627 1.00 42.55 H new ATOM 0 HA LEU A 26 -7.312 5.684 -8.157 1.00 11.20 H new ATOM 0 HB2 LEU A 26 -8.799 5.183 -5.579 1.00 60.31 H new ATOM 0 HB3 LEU A 26 -9.140 6.643 -6.487 1.00 60.31 H new ATOM 0 HG LEU A 26 -10.760 4.906 -6.993 1.00 3.32 H new ATOM 0 HD11 LEU A 26 -10.568 4.879 -9.463 1.00 70.21 H new ATOM 0 HD12 LEU A 26 -10.196 6.480 -8.782 1.00 70.21 H new ATOM 0 HD13 LEU A 26 -8.877 5.417 -9.327 1.00 70.21 H new ATOM 0 HD21 LEU A 26 -10.135 2.838 -8.179 1.00 11.01 H new ATOM 0 HD22 LEU A 26 -8.416 3.253 -7.979 1.00 11.01 H new ATOM 0 HD23 LEU A 26 -9.423 2.920 -6.550 1.00 11.01 H new ATOM 439 N PRO A 27 -6.728 8.070 -7.249 1.00 73.40 N ATOM 440 CA PRO A 27 -6.052 9.322 -6.849 1.00 74.31 C ATOM 441 C PRO A 27 -6.671 9.975 -5.597 1.00 34.13 C ATOM 442 O PRO A 27 -7.887 10.183 -5.522 1.00 21.21 O ATOM 443 CB PRO A 27 -6.234 10.222 -8.077 1.00 70.21 C ATOM 444 CG PRO A 27 -7.483 9.729 -8.725 1.00 33.44 C ATOM 445 CD PRO A 27 -7.523 8.242 -8.484 1.00 13.45 C ATOM 0 HA PRO A 27 -5.012 9.148 -6.573 1.00 74.31 H new ATOM 0 HB2 PRO A 27 -6.323 11.270 -7.790 1.00 70.21 H new ATOM 0 HB3 PRO A 27 -5.382 10.148 -8.752 1.00 70.21 H new ATOM 0 HG2 PRO A 27 -8.361 10.216 -8.300 1.00 33.44 H new ATOM 0 HG3 PRO A 27 -7.481 9.950 -9.792 1.00 33.44 H new ATOM 0 HD2 PRO A 27 -8.544 7.884 -8.357 1.00 13.45 H new ATOM 0 HD3 PRO A 27 -7.093 7.689 -9.319 1.00 13.45 H new ATOM 453 N GLY A 28 -5.826 10.300 -4.620 1.00 63.30 N ATOM 454 CA GLY A 28 -6.300 10.908 -3.381 1.00 73.42 C ATOM 455 C GLY A 28 -6.986 9.912 -2.449 1.00 71.53 C ATOM 456 O GLY A 28 -7.793 10.295 -1.599 1.00 31.35 O ATOM 0 H GLY A 28 -4.817 10.153 -4.663 1.00 63.30 H new ATOM 0 HA2 GLY A 28 -5.457 11.362 -2.860 1.00 73.42 H new ATOM 0 HA3 GLY A 28 -6.997 11.711 -3.621 1.00 73.42 H new ATOM 460 N ASP A 29 -6.669 8.629 -2.614 1.00 64.13 N ATOM 461 CA ASP A 29 -7.251 7.566 -1.790 1.00 24.42 C ATOM 462 C ASP A 29 -6.223 7.037 -0.771 1.00 1.11 C ATOM 463 O ASP A 29 -5.016 7.180 -0.963 1.00 12.34 O ATOM 464 CB ASP A 29 -7.755 6.440 -2.702 1.00 65.14 C ATOM 465 CG ASP A 29 -8.488 5.340 -1.954 1.00 62.15 C ATOM 466 OD1 ASP A 29 -9.097 5.627 -0.897 1.00 44.12 O ATOM 467 OD2 ASP A 29 -8.484 4.196 -2.437 1.00 63.15 O ATOM 0 H ASP A 29 -6.008 8.297 -3.316 1.00 64.13 H new ATOM 0 HA ASP A 29 -8.091 7.968 -1.224 1.00 24.42 H new ATOM 0 HB2 ASP A 29 -8.420 6.863 -3.455 1.00 65.14 H new ATOM 0 HB3 ASP A 29 -6.908 6.006 -3.233 1.00 65.14 H new ATOM 472 N VAL A 30 -6.706 6.426 0.309 1.00 43.43 N ATOM 473 CA VAL A 30 -5.837 5.965 1.398 1.00 63.21 C ATOM 474 C VAL A 30 -5.922 4.441 1.594 1.00 34.44 C ATOM 475 O VAL A 30 -7.007 3.861 1.627 1.00 23.12 O ATOM 476 CB VAL A 30 -6.192 6.674 2.733 1.00 22.22 C ATOM 477 CG1 VAL A 30 -5.284 6.198 3.866 1.00 34.53 C ATOM 478 CG2 VAL A 30 -6.113 8.194 2.572 1.00 13.54 C ATOM 0 H VAL A 30 -7.697 6.237 0.457 1.00 43.43 H new ATOM 0 HA VAL A 30 -4.817 6.221 1.113 1.00 63.21 H new ATOM 0 HB VAL A 30 -7.217 6.410 2.995 1.00 22.22 H new ATOM 0 HG11 VAL A 30 -5.555 6.711 4.789 1.00 34.53 H new ATOM 0 HG12 VAL A 30 -5.403 5.123 4.000 1.00 34.53 H new ATOM 0 HG13 VAL A 30 -4.246 6.420 3.618 1.00 34.53 H new ATOM 0 HG21 VAL A 30 -6.365 8.674 3.518 1.00 13.54 H new ATOM 0 HG22 VAL A 30 -5.102 8.477 2.280 1.00 13.54 H new ATOM 0 HG23 VAL A 30 -6.816 8.516 1.804 1.00 13.54 H new ATOM 488 N LEU A 31 -4.762 3.801 1.715 1.00 43.43 N ATOM 489 CA LEU A 31 -4.681 2.362 1.979 1.00 51.21 C ATOM 490 C LEU A 31 -3.906 2.095 3.281 1.00 34.21 C ATOM 491 O LEU A 31 -2.894 2.742 3.553 1.00 54.31 O ATOM 492 CB LEU A 31 -4.004 1.620 0.809 1.00 54.04 C ATOM 493 CG LEU A 31 -4.709 1.728 -0.562 1.00 31.41 C ATOM 494 CD1 LEU A 31 -4.464 3.087 -1.215 1.00 34.22 C ATOM 495 CD2 LEU A 31 -4.265 0.598 -1.486 1.00 25.00 C ATOM 0 H LEU A 31 -3.855 4.260 1.634 1.00 43.43 H new ATOM 0 HA LEU A 31 -5.699 1.987 2.085 1.00 51.21 H new ATOM 0 HB2 LEU A 31 -2.988 2.000 0.703 1.00 54.04 H new ATOM 0 HB3 LEU A 31 -3.924 0.565 1.072 1.00 54.04 H new ATOM 0 HG LEU A 31 -5.781 1.634 -0.390 1.00 31.41 H new ATOM 0 HD11 LEU A 31 -4.975 3.126 -2.177 1.00 34.22 H new ATOM 0 HD12 LEU A 31 -4.848 3.876 -0.568 1.00 34.22 H new ATOM 0 HD13 LEU A 31 -3.394 3.230 -1.366 1.00 34.22 H new ATOM 0 HD21 LEU A 31 -4.773 0.692 -2.446 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -3.187 0.655 -1.638 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -4.517 -0.362 -1.035 1.00 25.00 H new ATOM 507 N VAL A 32 -4.383 1.142 4.079 1.00 25.33 N ATOM 508 CA VAL A 32 -3.753 0.816 5.368 1.00 72.24 C ATOM 509 C VAL A 32 -2.981 -0.519 5.314 1.00 12.40 C ATOM 510 O VAL A 32 -3.537 -1.560 4.955 1.00 2.42 O ATOM 511 CB VAL A 32 -4.809 0.746 6.504 1.00 25.24 C ATOM 512 CG1 VAL A 32 -4.150 0.453 7.854 1.00 32.01 C ATOM 513 CG2 VAL A 32 -5.630 2.038 6.564 1.00 15.33 C ATOM 0 H VAL A 32 -5.204 0.578 3.860 1.00 25.33 H new ATOM 0 HA VAL A 32 -3.045 1.618 5.577 1.00 72.24 H new ATOM 0 HB VAL A 32 -5.488 -0.077 6.280 1.00 25.24 H new ATOM 0 HG11 VAL A 32 -4.914 0.410 8.630 1.00 32.01 H new ATOM 0 HG12 VAL A 32 -3.629 -0.503 7.805 1.00 32.01 H new ATOM 0 HG13 VAL A 32 -3.437 1.243 8.090 1.00 32.01 H new ATOM 0 HG21 VAL A 32 -6.363 1.966 7.367 1.00 15.33 H new ATOM 0 HG22 VAL A 32 -4.967 2.882 6.753 1.00 15.33 H new ATOM 0 HG23 VAL A 32 -6.145 2.186 5.615 1.00 15.33 H new ATOM 523 N VAL A 33 -1.696 -0.477 5.674 1.00 53.44 N ATOM 524 CA VAL A 33 -0.851 -1.681 5.724 1.00 15.45 C ATOM 525 C VAL A 33 -0.207 -1.838 7.113 1.00 74.42 C ATOM 526 O VAL A 33 0.473 -0.936 7.596 1.00 34.32 O ATOM 527 CB VAL A 33 0.266 -1.638 4.649 1.00 31.11 C ATOM 528 CG1 VAL A 33 1.119 -2.906 4.692 1.00 21.13 C ATOM 529 CG2 VAL A 33 -0.327 -1.433 3.256 1.00 21.52 C ATOM 0 H VAL A 33 -1.212 0.381 5.937 1.00 53.44 H new ATOM 0 HA VAL A 33 -1.499 -2.534 5.523 1.00 15.45 H new ATOM 0 HB VAL A 33 0.912 -0.789 4.873 1.00 31.11 H new ATOM 0 HG11 VAL A 33 1.894 -2.849 3.928 1.00 21.13 H new ATOM 0 HG12 VAL A 33 1.583 -2.999 5.674 1.00 21.13 H new ATOM 0 HG13 VAL A 33 0.488 -3.775 4.505 1.00 21.13 H new ATOM 0 HG21 VAL A 33 0.476 -1.406 2.519 1.00 21.52 H new ATOM 0 HG22 VAL A 33 -1.005 -2.255 3.025 1.00 21.52 H new ATOM 0 HG23 VAL A 33 -0.876 -0.492 3.229 1.00 21.52 H new ATOM 539 N SER A 34 -0.420 -2.987 7.747 1.00 52.43 N ATOM 540 CA SER A 34 0.075 -3.220 9.117 1.00 65.13 C ATOM 541 C SER A 34 1.432 -3.943 9.136 1.00 24.03 C ATOM 542 O SER A 34 1.816 -4.595 8.161 1.00 61.34 O ATOM 543 CB SER A 34 -0.951 -4.028 9.925 1.00 42.04 C ATOM 544 OG SER A 34 -2.150 -3.296 10.117 1.00 11.25 O ATOM 0 H SER A 34 -0.929 -3.774 7.344 1.00 52.43 H new ATOM 0 HA SER A 34 0.217 -2.240 9.573 1.00 65.13 H new ATOM 0 HB2 SER A 34 -1.172 -4.961 9.406 1.00 42.04 H new ATOM 0 HB3 SER A 34 -0.526 -4.294 10.893 1.00 42.04 H new ATOM 0 HG SER A 34 -2.784 -3.836 10.633 1.00 11.25 H new ATOM 550 N ARG A 35 2.151 -3.834 10.265 1.00 22.25 N ATOM 551 CA ARG A 35 3.449 -4.514 10.443 1.00 51.11 C ATOM 552 C ARG A 35 3.365 -6.010 10.100 1.00 54.12 C ATOM 553 O ARG A 35 4.289 -6.571 9.513 1.00 45.35 O ATOM 554 CB ARG A 35 3.967 -4.352 11.886 1.00 1.51 C ATOM 555 CG ARG A 35 4.708 -3.043 12.158 1.00 11.32 C ATOM 556 CD ARG A 35 5.248 -2.999 13.589 1.00 40.44 C ATOM 557 NE ARG A 35 6.187 -1.899 13.809 1.00 41.13 N ATOM 558 CZ ARG A 35 6.452 -1.387 14.981 1.00 23.20 C ATOM 559 NH1 ARG A 35 5.838 -1.809 16.045 1.00 42.51 N ATOM 560 NH2 ARG A 35 7.341 -0.454 15.084 1.00 12.11 N ATOM 0 H ARG A 35 1.857 -3.281 11.070 1.00 22.25 H new ATOM 0 HA ARG A 35 4.146 -4.039 9.753 1.00 51.11 H new ATOM 0 HB2 ARG A 35 3.122 -4.424 12.571 1.00 1.51 H new ATOM 0 HB3 ARG A 35 4.633 -5.184 12.114 1.00 1.51 H new ATOM 0 HG2 ARG A 35 5.532 -2.935 11.452 1.00 11.32 H new ATOM 0 HG3 ARG A 35 4.036 -2.201 11.994 1.00 11.32 H new ATOM 0 HD2 ARG A 35 4.414 -2.903 14.284 1.00 40.44 H new ATOM 0 HD3 ARG A 35 5.743 -3.943 13.814 1.00 40.44 H new ATOM 0 HE ARG A 35 6.664 -1.508 12.997 1.00 41.13 H new ATOM 0 HH11 ARG A 35 5.140 -2.549 15.971 1.00 42.51 H new ATOM 0 HH12 ARG A 35 6.054 -1.401 16.954 1.00 42.51 H new ATOM 0 HH21 ARG A 35 7.831 -0.122 14.253 1.00 12.11 H new ATOM 0 HH22 ARG A 35 7.553 -0.050 15.996 1.00 12.11 H new ATOM 574 N ALA A 36 2.257 -6.646 10.474 1.00 13.23 N ATOM 575 CA ALA A 36 2.031 -8.071 10.178 1.00 5.02 C ATOM 576 C ALA A 36 2.264 -8.399 8.689 1.00 1.13 C ATOM 577 O ALA A 36 2.795 -9.457 8.351 1.00 40.12 O ATOM 578 CB ALA A 36 0.620 -8.475 10.596 1.00 31.02 C ATOM 0 H ALA A 36 1.495 -6.200 10.985 1.00 13.23 H new ATOM 0 HA ALA A 36 2.758 -8.645 10.753 1.00 5.02 H new ATOM 0 HB1 ALA A 36 0.463 -9.530 10.373 1.00 31.02 H new ATOM 0 HB2 ALA A 36 0.496 -8.308 11.666 1.00 31.02 H new ATOM 0 HB3 ALA A 36 -0.107 -7.876 10.048 1.00 31.02 H new ATOM 584 N ALA A 37 1.873 -7.482 7.805 1.00 35.21 N ATOM 585 CA ALA A 37 2.067 -7.674 6.365 1.00 55.42 C ATOM 586 C ALA A 37 3.525 -7.414 5.960 1.00 44.02 C ATOM 587 O ALA A 37 4.145 -8.225 5.268 1.00 74.30 O ATOM 588 CB ALA A 37 1.128 -6.767 5.583 1.00 31.00 C ATOM 0 H ALA A 37 1.422 -6.602 8.057 1.00 35.21 H new ATOM 0 HA ALA A 37 1.835 -8.712 6.128 1.00 55.42 H new ATOM 0 HB1 ALA A 37 1.282 -6.919 4.515 1.00 31.00 H new ATOM 0 HB2 ALA A 37 0.095 -7.005 5.839 1.00 31.00 H new ATOM 0 HB3 ALA A 37 1.333 -5.727 5.835 1.00 31.00 H new ATOM 594 N LEU A 38 4.072 -6.281 6.405 1.00 45.41 N ATOM 595 CA LEU A 38 5.452 -5.894 6.074 1.00 73.50 C ATOM 596 C LEU A 38 6.472 -6.952 6.537 1.00 10.20 C ATOM 597 O LEU A 38 7.369 -7.335 5.780 1.00 73.23 O ATOM 598 CB LEU A 38 5.782 -4.529 6.697 1.00 71.33 C ATOM 599 CG LEU A 38 4.919 -3.356 6.197 1.00 33.00 C ATOM 600 CD1 LEU A 38 5.307 -2.062 6.904 1.00 51.41 C ATOM 601 CD2 LEU A 38 5.042 -3.202 4.681 1.00 32.25 C ATOM 0 H LEU A 38 3.582 -5.611 6.998 1.00 45.41 H new ATOM 0 HA LEU A 38 5.524 -5.823 4.989 1.00 73.50 H new ATOM 0 HB2 LEU A 38 5.672 -4.605 7.779 1.00 71.33 H new ATOM 0 HB3 LEU A 38 6.829 -4.300 6.498 1.00 71.33 H new ATOM 0 HG LEU A 38 3.878 -3.574 6.433 1.00 33.00 H new ATOM 0 HD11 LEU A 38 4.685 -1.246 6.536 1.00 51.41 H new ATOM 0 HD12 LEU A 38 5.159 -2.176 7.978 1.00 51.41 H new ATOM 0 HD13 LEU A 38 6.355 -1.838 6.704 1.00 51.41 H new ATOM 0 HD21 LEU A 38 4.424 -2.368 4.349 1.00 32.25 H new ATOM 0 HD22 LEU A 38 6.082 -3.011 4.418 1.00 32.25 H new ATOM 0 HD23 LEU A 38 4.707 -4.118 4.194 1.00 32.25 H new ATOM 613 N GLN A 39 6.326 -7.430 7.773 1.00 51.35 N ATOM 614 CA GLN A 39 7.225 -8.458 8.317 1.00 14.03 C ATOM 615 C GLN A 39 7.154 -9.759 7.503 1.00 71.04 C ATOM 616 O GLN A 39 8.162 -10.445 7.328 1.00 72.35 O ATOM 617 CB GLN A 39 6.902 -8.744 9.791 1.00 34.14 C ATOM 618 CG GLN A 39 7.132 -7.549 10.715 1.00 32.43 C ATOM 619 CD GLN A 39 6.911 -7.876 12.185 1.00 4.31 C ATOM 620 OE1 GLN A 39 7.196 -9.106 12.577 1.00 32.35 O flip ATOM 621 NE2 GLN A 39 6.499 -7.026 12.968 1.00 74.35 N flip ATOM 0 H GLN A 39 5.597 -7.125 8.418 1.00 51.35 H new ATOM 0 HA GLN A 39 8.240 -8.068 8.247 1.00 14.03 H new ATOM 0 HB2 GLN A 39 5.861 -9.058 9.871 1.00 34.14 H new ATOM 0 HB3 GLN A 39 7.514 -9.579 10.132 1.00 34.14 H new ATOM 0 HG2 GLN A 39 8.150 -7.184 10.580 1.00 32.43 H new ATOM 0 HG3 GLN A 39 6.462 -6.739 10.425 1.00 32.43 H new ATOM 0 HE21 GLN A 39 6.288 -6.085 12.635 1.00 74.35 H new ATOM 0 HE22 GLN A 39 6.368 -7.260 13.952 1.00 74.35 H new ATOM 630 N ALA A 40 5.961 -10.093 7.009 1.00 54.13 N ATOM 631 CA ALA A 40 5.779 -11.271 6.147 1.00 65.54 C ATOM 632 C ALA A 40 6.516 -11.095 4.808 1.00 14.42 C ATOM 633 O ALA A 40 7.014 -12.061 4.223 1.00 51.25 O ATOM 634 CB ALA A 40 4.294 -11.528 5.910 1.00 55.33 C ATOM 0 H ALA A 40 5.105 -9.568 7.188 1.00 54.13 H new ATOM 0 HA ALA A 40 6.208 -12.135 6.655 1.00 65.54 H new ATOM 0 HB1 ALA A 40 4.174 -12.402 5.271 1.00 55.33 H new ATOM 0 HB2 ALA A 40 3.799 -11.705 6.865 1.00 55.33 H new ATOM 0 HB3 ALA A 40 3.847 -10.660 5.425 1.00 55.33 H new ATOM 640 N LEU A 41 6.579 -9.853 4.330 1.00 70.05 N ATOM 641 CA LEU A 41 7.316 -9.520 3.102 1.00 25.31 C ATOM 642 C LEU A 41 8.831 -9.489 3.357 1.00 22.24 C ATOM 643 O LEU A 41 9.634 -9.754 2.462 1.00 72.10 O ATOM 644 CB LEU A 41 6.866 -8.152 2.576 1.00 64.04 C ATOM 645 CG LEU A 41 5.359 -7.998 2.337 1.00 62.45 C ATOM 646 CD1 LEU A 41 5.026 -6.557 1.961 1.00 60.50 C ATOM 647 CD2 LEU A 41 4.877 -8.966 1.259 1.00 75.13 C ATOM 0 H LEU A 41 6.127 -9.054 4.774 1.00 70.05 H new ATOM 0 HA LEU A 41 7.101 -10.291 2.362 1.00 25.31 H new ATOM 0 HB2 LEU A 41 7.183 -7.388 3.285 1.00 64.04 H new ATOM 0 HB3 LEU A 41 7.387 -7.954 1.639 1.00 64.04 H new ATOM 0 HG LEU A 41 4.838 -8.242 3.263 1.00 62.45 H new ATOM 0 HD11 LEU A 41 3.953 -6.463 1.794 1.00 60.50 H new ATOM 0 HD12 LEU A 41 5.327 -5.891 2.770 1.00 60.50 H new ATOM 0 HD13 LEU A 41 5.560 -6.286 1.050 1.00 60.50 H new ATOM 0 HD21 LEU A 41 3.805 -8.838 1.108 1.00 75.13 H new ATOM 0 HD22 LEU A 41 5.402 -8.762 0.326 1.00 75.13 H new ATOM 0 HD23 LEU A 41 5.079 -9.990 1.573 1.00 75.13 H new ATOM 659 N GLY A 42 9.209 -9.166 4.590 1.00 34.23 N ATOM 660 CA GLY A 42 10.618 -9.027 4.942 1.00 62.13 C ATOM 661 C GLY A 42 11.052 -7.573 5.097 1.00 42.11 C ATOM 662 O GLY A 42 12.248 -7.269 5.078 1.00 65.44 O ATOM 0 H GLY A 42 8.562 -8.996 5.360 1.00 34.23 H new ATOM 0 HA2 GLY A 42 10.808 -9.559 5.874 1.00 62.13 H new ATOM 0 HA3 GLY A 42 11.228 -9.503 4.174 1.00 62.13 H new ATOM 666 N VAL A 43 10.082 -6.672 5.246 1.00 0.43 N ATOM 667 CA VAL A 43 10.363 -5.246 5.438 1.00 61.33 C ATOM 668 C VAL A 43 10.659 -4.934 6.915 1.00 41.23 C ATOM 669 O VAL A 43 9.909 -5.331 7.808 1.00 33.15 O ATOM 670 CB VAL A 43 9.180 -4.368 4.954 1.00 70.35 C ATOM 671 CG1 VAL A 43 9.492 -2.880 5.121 1.00 43.55 C ATOM 672 CG2 VAL A 43 8.820 -4.690 3.502 1.00 14.33 C ATOM 0 H VAL A 43 9.089 -6.904 5.238 1.00 0.43 H new ATOM 0 HA VAL A 43 11.244 -5.011 4.841 1.00 61.33 H new ATOM 0 HB VAL A 43 8.316 -4.600 5.577 1.00 70.35 H new ATOM 0 HG11 VAL A 43 8.644 -2.289 4.773 1.00 43.55 H new ATOM 0 HG12 VAL A 43 9.678 -2.663 6.173 1.00 43.55 H new ATOM 0 HG13 VAL A 43 10.376 -2.626 4.536 1.00 43.55 H new ATOM 0 HG21 VAL A 43 7.988 -4.061 3.186 1.00 14.33 H new ATOM 0 HG22 VAL A 43 9.682 -4.500 2.863 1.00 14.33 H new ATOM 0 HG23 VAL A 43 8.534 -5.739 3.422 1.00 14.33 H new ATOM 682 N ALA A 44 11.753 -4.220 7.157 1.00 1.44 N ATOM 683 CA ALA A 44 12.199 -3.889 8.516 1.00 35.50 C ATOM 684 C ALA A 44 12.017 -2.394 8.829 1.00 44.41 C ATOM 685 O ALA A 44 12.013 -1.559 7.919 1.00 11.34 O ATOM 686 CB ALA A 44 13.658 -4.300 8.694 1.00 41.03 C ATOM 0 H ALA A 44 12.358 -3.853 6.422 1.00 1.44 H new ATOM 0 HA ALA A 44 11.578 -4.444 9.220 1.00 35.50 H new ATOM 0 HB1 ALA A 44 13.985 -4.053 9.704 1.00 41.03 H new ATOM 0 HB2 ALA A 44 13.756 -5.374 8.534 1.00 41.03 H new ATOM 0 HB3 ALA A 44 14.277 -3.768 7.972 1.00 41.03 H new ATOM 692 N GLU A 45 11.838 -2.075 10.119 1.00 14.40 N ATOM 693 CA GLU A 45 11.727 -0.679 10.590 1.00 41.33 C ATOM 694 C GLU A 45 12.727 0.246 9.872 1.00 63.30 C ATOM 695 O GLU A 45 13.941 0.135 10.064 1.00 33.52 O ATOM 696 CB GLU A 45 11.976 -0.612 12.107 1.00 42.54 C ATOM 697 CG GLU A 45 10.928 -1.320 12.962 1.00 33.01 C ATOM 698 CD GLU A 45 9.578 -0.615 12.958 1.00 45.35 C ATOM 699 OE1 GLU A 45 9.501 0.534 13.454 1.00 5.30 O ATOM 700 OE2 GLU A 45 8.587 -1.203 12.479 1.00 62.43 O ATOM 0 H GLU A 45 11.766 -2.769 10.863 1.00 14.40 H new ATOM 0 HA GLU A 45 10.718 -0.337 10.361 1.00 41.33 H new ATOM 0 HB2 GLU A 45 12.952 -1.048 12.320 1.00 42.54 H new ATOM 0 HB3 GLU A 45 12.022 0.435 12.407 1.00 42.54 H new ATOM 0 HG2 GLU A 45 10.800 -2.340 12.599 1.00 33.01 H new ATOM 0 HG3 GLU A 45 11.291 -1.390 13.987 1.00 33.01 H new ATOM 707 N GLY A 46 12.206 1.153 9.048 1.00 43.10 N ATOM 708 CA GLY A 46 13.055 2.025 8.242 1.00 10.43 C ATOM 709 C GLY A 46 12.746 1.925 6.750 1.00 73.32 C ATOM 710 O GLY A 46 13.136 2.790 5.964 1.00 62.45 O ATOM 0 H GLY A 46 11.205 1.302 8.922 1.00 43.10 H new ATOM 0 HA2 GLY A 46 12.925 3.057 8.568 1.00 10.43 H new ATOM 0 HA3 GLY A 46 14.100 1.767 8.411 1.00 10.43 H new ATOM 714 N GLY A 47 12.048 0.860 6.357 1.00 53.31 N ATOM 715 CA GLY A 47 11.665 0.680 4.960 1.00 21.44 C ATOM 716 C GLY A 47 10.293 1.265 4.630 1.00 13.43 C ATOM 717 O GLY A 47 10.072 1.757 3.523 1.00 21.43 O ATOM 0 H GLY A 47 11.739 0.115 6.982 1.00 53.31 H new ATOM 0 HA2 GLY A 47 12.415 1.147 4.322 1.00 21.44 H new ATOM 0 HA3 GLY A 47 11.665 -0.384 4.725 1.00 21.44 H new ATOM 721 N GLU A 48 9.376 1.217 5.595 1.00 3.25 N ATOM 722 CA GLU A 48 7.996 1.696 5.395 1.00 40.11 C ATOM 723 C GLU A 48 7.943 3.192 5.025 1.00 64.41 C ATOM 724 O GLU A 48 7.078 3.625 4.264 1.00 4.51 O ATOM 725 CB GLU A 48 7.149 1.435 6.657 1.00 24.32 C ATOM 726 CG GLU A 48 7.531 2.284 7.875 1.00 42.41 C ATOM 727 CD GLU A 48 8.966 2.070 8.331 1.00 3.15 C ATOM 728 OE1 GLU A 48 9.239 1.067 9.014 1.00 22.44 O ATOM 729 OE2 GLU A 48 9.834 2.898 7.997 1.00 73.51 O ATOM 0 H GLU A 48 9.558 0.851 6.529 1.00 3.25 H new ATOM 0 HA GLU A 48 7.582 1.137 4.556 1.00 40.11 H new ATOM 0 HB2 GLU A 48 6.101 1.618 6.418 1.00 24.32 H new ATOM 0 HB3 GLU A 48 7.236 0.382 6.924 1.00 24.32 H new ATOM 0 HG2 GLU A 48 7.387 3.337 7.635 1.00 42.41 H new ATOM 0 HG3 GLU A 48 6.857 2.050 8.699 1.00 42.41 H new ATOM 736 N ARG A 49 8.882 3.974 5.559 1.00 0.32 N ATOM 737 CA ARG A 49 8.951 5.418 5.285 1.00 62.14 C ATOM 738 C ARG A 49 9.336 5.710 3.824 1.00 32.04 C ATOM 739 O ARG A 49 9.355 6.861 3.390 1.00 20.33 O ATOM 740 CB ARG A 49 9.933 6.091 6.255 1.00 15.31 C ATOM 741 CG ARG A 49 11.372 5.589 6.147 1.00 62.32 C ATOM 742 CD ARG A 49 12.135 5.815 7.449 1.00 21.33 C ATOM 743 NE ARG A 49 11.529 5.069 8.550 1.00 21.34 N ATOM 744 CZ ARG A 49 11.829 5.218 9.809 1.00 32.00 C ATOM 745 NH1 ARG A 49 12.724 6.068 10.187 1.00 42.01 N ATOM 746 NH2 ARG A 49 11.224 4.504 10.701 1.00 2.34 N ATOM 0 H ARG A 49 9.610 3.634 6.187 1.00 0.32 H new ATOM 0 HA ARG A 49 7.956 5.835 5.440 1.00 62.14 H new ATOM 0 HB2 ARG A 49 9.922 7.166 6.076 1.00 15.31 H new ATOM 0 HB3 ARG A 49 9.582 5.934 7.275 1.00 15.31 H new ATOM 0 HG2 ARG A 49 11.372 4.527 5.902 1.00 62.32 H new ATOM 0 HG3 ARG A 49 11.879 6.104 5.331 1.00 62.32 H new ATOM 0 HD2 ARG A 49 13.173 5.506 7.324 1.00 21.33 H new ATOM 0 HD3 ARG A 49 12.145 6.878 7.688 1.00 21.33 H new ATOM 0 HE ARG A 49 10.816 4.378 8.315 1.00 21.34 H new ATOM 0 HH11 ARG A 49 13.211 6.638 9.495 1.00 42.01 H new ATOM 0 HH12 ARG A 49 12.945 6.170 11.178 1.00 42.01 H new ATOM 0 HH21 ARG A 49 10.515 3.827 10.418 1.00 2.34 H new ATOM 0 HH22 ARG A 49 11.456 4.617 11.688 1.00 2.34 H new ATOM 760 N CYS A 50 9.651 4.657 3.077 1.00 51.03 N ATOM 761 CA CYS A 50 9.870 4.755 1.631 1.00 5.12 C ATOM 762 C CYS A 50 9.287 3.528 0.916 1.00 13.45 C ATOM 763 O CYS A 50 10.010 2.580 0.593 1.00 74.04 O ATOM 764 CB CYS A 50 11.363 4.901 1.302 1.00 70.14 C ATOM 765 SG CYS A 50 12.091 6.474 1.824 1.00 24.30 S ATOM 0 H CYS A 50 9.762 3.714 3.451 1.00 51.03 H new ATOM 0 HA CYS A 50 9.357 5.649 1.276 1.00 5.12 H new ATOM 0 HB2 CYS A 50 11.909 4.086 1.777 1.00 70.14 H new ATOM 0 HB3 CYS A 50 11.498 4.791 0.226 1.00 70.14 H new ATOM 0 HG CYS A 50 11.261 7.098 2.606 1.00 24.30 H new ATOM 771 N PRO A 51 7.961 3.530 0.654 1.00 40.22 N ATOM 772 CA PRO A 51 7.253 2.376 0.057 1.00 52.34 C ATOM 773 C PRO A 51 7.849 1.920 -1.289 1.00 30.33 C ATOM 774 O PRO A 51 7.582 0.807 -1.752 1.00 13.13 O ATOM 775 CB PRO A 51 5.810 2.888 -0.122 1.00 52.05 C ATOM 776 CG PRO A 51 5.906 4.378 -0.027 1.00 15.43 C ATOM 777 CD PRO A 51 7.043 4.656 0.916 1.00 52.10 C ATOM 0 HA PRO A 51 7.330 1.493 0.691 1.00 52.34 H new ATOM 0 HB2 PRO A 51 5.400 2.581 -1.084 1.00 52.05 H new ATOM 0 HB3 PRO A 51 5.152 2.486 0.648 1.00 52.05 H new ATOM 0 HG2 PRO A 51 6.092 4.821 -1.005 1.00 15.43 H new ATOM 0 HG3 PRO A 51 4.976 4.807 0.345 1.00 15.43 H new ATOM 0 HD2 PRO A 51 7.513 5.618 0.712 1.00 52.10 H new ATOM 0 HD3 PRO A 51 6.713 4.677 1.955 1.00 52.10 H new ATOM 785 N GLN A 52 8.665 2.778 -1.901 1.00 42.31 N ATOM 786 CA GLN A 52 9.363 2.444 -3.149 1.00 42.04 C ATOM 787 C GLN A 52 10.269 1.210 -2.981 1.00 33.34 C ATOM 788 O GLN A 52 10.473 0.447 -3.924 1.00 32.12 O ATOM 789 CB GLN A 52 10.199 3.644 -3.625 1.00 24.32 C ATOM 790 CG GLN A 52 11.295 4.065 -2.648 1.00 31.11 C ATOM 791 CD GLN A 52 12.091 5.267 -3.131 1.00 63.31 C ATOM 792 OE1 GLN A 52 11.749 6.408 -2.838 1.00 65.33 O ATOM 793 NE2 GLN A 52 13.150 5.023 -3.876 1.00 13.31 N ATOM 0 H GLN A 52 8.862 3.716 -1.552 1.00 42.31 H new ATOM 0 HA GLN A 52 8.607 2.206 -3.897 1.00 42.04 H new ATOM 0 HB2 GLN A 52 10.656 3.398 -4.583 1.00 24.32 H new ATOM 0 HB3 GLN A 52 9.535 4.491 -3.797 1.00 24.32 H new ATOM 0 HG2 GLN A 52 10.844 4.298 -1.683 1.00 31.11 H new ATOM 0 HG3 GLN A 52 11.974 3.227 -2.488 1.00 31.11 H new ATOM 0 HE21 GLN A 52 13.405 4.061 -4.100 1.00 13.31 H new ATOM 0 HE22 GLN A 52 13.715 5.796 -4.229 1.00 13.31 H new ATOM 802 N SER A 53 10.811 1.017 -1.774 1.00 52.34 N ATOM 803 CA SER A 53 11.666 -0.147 -1.488 1.00 2.24 C ATOM 804 C SER A 53 10.825 -1.385 -1.157 1.00 54.21 C ATOM 805 O SER A 53 11.285 -2.515 -1.306 1.00 32.22 O ATOM 806 CB SER A 53 12.628 0.151 -0.328 1.00 4.02 C ATOM 807 OG SER A 53 13.492 -0.953 -0.059 1.00 62.02 O ATOM 0 H SER A 53 10.676 1.645 -0.982 1.00 52.34 H new ATOM 0 HA SER A 53 12.248 -0.352 -2.387 1.00 2.24 H new ATOM 0 HB2 SER A 53 13.226 1.030 -0.568 1.00 4.02 H new ATOM 0 HB3 SER A 53 12.055 0.390 0.567 1.00 4.02 H new ATOM 0 HG SER A 53 14.090 -0.727 0.683 1.00 62.02 H new ATOM 813 N VAL A 54 9.594 -1.166 -0.696 1.00 75.51 N ATOM 814 CA VAL A 54 8.667 -2.271 -0.421 1.00 1.41 C ATOM 815 C VAL A 54 8.175 -2.900 -1.736 1.00 25.14 C ATOM 816 O VAL A 54 8.127 -4.125 -1.875 1.00 23.35 O ATOM 817 CB VAL A 54 7.448 -1.800 0.416 1.00 4.24 C ATOM 818 CG1 VAL A 54 6.499 -2.965 0.711 1.00 44.25 C ATOM 819 CG2 VAL A 54 7.909 -1.128 1.712 1.00 74.20 C ATOM 0 H VAL A 54 9.214 -0.239 -0.505 1.00 75.51 H new ATOM 0 HA VAL A 54 9.213 -3.016 0.158 1.00 1.41 H new ATOM 0 HB VAL A 54 6.899 -1.065 -0.172 1.00 4.24 H new ATOM 0 HG11 VAL A 54 5.654 -2.606 1.299 1.00 44.25 H new ATOM 0 HG12 VAL A 54 6.136 -3.385 -0.227 1.00 44.25 H new ATOM 0 HG13 VAL A 54 7.030 -3.734 1.272 1.00 44.25 H new ATOM 0 HG21 VAL A 54 7.039 -0.805 2.284 1.00 74.20 H new ATOM 0 HG22 VAL A 54 8.489 -1.837 2.303 1.00 74.20 H new ATOM 0 HG23 VAL A 54 8.528 -0.263 1.473 1.00 74.20 H new ATOM 829 N GLY A 55 7.809 -2.048 -2.694 1.00 45.44 N ATOM 830 CA GLY A 55 7.394 -2.517 -4.014 1.00 65.30 C ATOM 831 C GLY A 55 5.981 -3.091 -4.036 1.00 1.14 C ATOM 832 O GLY A 55 5.047 -2.437 -4.498 1.00 72.41 O ATOM 0 H GLY A 55 7.792 -1.034 -2.581 1.00 45.44 H new ATOM 0 HA2 GLY A 55 7.453 -1.689 -4.721 1.00 65.30 H new ATOM 0 HA3 GLY A 55 8.093 -3.279 -4.357 1.00 65.30 H new ATOM 836 N TRP A 56 5.826 -4.312 -3.534 1.00 52.14 N ATOM 837 CA TRP A 56 4.525 -4.995 -3.514 1.00 23.30 C ATOM 838 C TRP A 56 4.106 -5.364 -2.082 1.00 61.44 C ATOM 839 O TRP A 56 4.879 -5.961 -1.329 1.00 31.22 O ATOM 840 CB TRP A 56 4.570 -6.244 -4.414 1.00 42.31 C ATOM 841 CG TRP A 56 5.734 -7.166 -4.143 1.00 1.13 C ATOM 842 CD1 TRP A 56 7.016 -7.023 -4.598 1.00 3.34 C ATOM 843 CD2 TRP A 56 5.716 -8.378 -3.376 1.00 41.34 C ATOM 844 NE1 TRP A 56 7.793 -8.064 -4.150 1.00 54.15 N ATOM 845 CE2 TRP A 56 7.019 -8.910 -3.402 1.00 41.30 C ATOM 846 CE3 TRP A 56 4.726 -9.063 -2.665 1.00 71.24 C ATOM 847 CZ2 TRP A 56 7.357 -10.089 -2.744 1.00 65.45 C ATOM 848 CZ3 TRP A 56 5.062 -10.237 -2.019 1.00 65.20 C ATOM 849 CH2 TRP A 56 6.368 -10.739 -2.061 1.00 53.21 C ATOM 0 H TRP A 56 6.588 -4.857 -3.131 1.00 52.14 H new ATOM 0 HA TRP A 56 3.774 -4.309 -3.905 1.00 23.30 H new ATOM 0 HB2 TRP A 56 3.643 -6.802 -4.287 1.00 42.31 H new ATOM 0 HB3 TRP A 56 4.610 -5.925 -5.456 1.00 42.31 H new ATOM 0 HD1 TRP A 56 7.366 -6.211 -5.218 1.00 3.34 H new ATOM 0 HE1 TRP A 56 8.787 -8.187 -4.344 1.00 54.15 H new ATOM 0 HE3 TRP A 56 3.717 -8.681 -2.622 1.00 71.24 H new ATOM 0 HZ2 TRP A 56 8.365 -10.476 -2.772 1.00 65.45 H new ATOM 0 HZ3 TRP A 56 4.304 -10.777 -1.472 1.00 65.20 H new ATOM 0 HH2 TRP A 56 6.599 -11.658 -1.543 1.00 53.21 H new ATOM 860 N MET A 57 2.880 -4.997 -1.706 1.00 63.40 N ATOM 861 CA MET A 57 2.382 -5.255 -0.350 1.00 43.42 C ATOM 862 C MET A 57 0.849 -5.387 -0.307 1.00 14.31 C ATOM 863 O MET A 57 0.136 -4.721 -1.060 1.00 15.11 O ATOM 864 CB MET A 57 2.848 -4.143 0.604 1.00 41.31 C ATOM 865 CG MET A 57 2.510 -2.732 0.142 1.00 35.22 C ATOM 866 SD MET A 57 3.154 -1.483 1.274 1.00 11.32 S ATOM 867 CE MET A 57 2.741 0.022 0.401 1.00 54.05 C ATOM 0 H MET A 57 2.215 -4.522 -2.316 1.00 63.40 H new ATOM 0 HA MET A 57 2.797 -6.210 -0.026 1.00 43.42 H new ATOM 0 HB2 MET A 57 2.398 -4.309 1.583 1.00 41.31 H new ATOM 0 HB3 MET A 57 3.928 -4.221 0.733 1.00 41.31 H new ATOM 0 HG2 MET A 57 2.922 -2.567 -0.854 1.00 35.22 H new ATOM 0 HG3 MET A 57 1.428 -2.626 0.061 1.00 35.22 H new ATOM 0 HE1 MET A 57 3.454 0.803 0.665 1.00 54.05 H new ATOM 0 HE2 MET A 57 2.781 -0.158 -0.673 1.00 54.05 H new ATOM 0 HE3 MET A 57 1.736 0.340 0.679 1.00 54.05 H new ATOM 877 N PRO A 58 0.325 -6.270 0.572 1.00 31.41 N ATOM 878 CA PRO A 58 -1.117 -6.443 0.763 1.00 11.03 C ATOM 879 C PRO A 58 -1.695 -5.518 1.853 1.00 43.22 C ATOM 880 O PRO A 58 -1.237 -5.517 3.003 1.00 50.50 O ATOM 881 CB PRO A 58 -1.210 -7.912 1.186 1.00 3.24 C ATOM 882 CG PRO A 58 0.059 -8.177 1.940 1.00 51.12 C ATOM 883 CD PRO A 58 1.095 -7.191 1.433 1.00 25.41 C ATOM 0 HA PRO A 58 -1.691 -6.191 -0.129 1.00 11.03 H new ATOM 0 HB2 PRO A 58 -2.085 -8.089 1.811 1.00 3.24 H new ATOM 0 HB3 PRO A 58 -1.299 -8.568 0.320 1.00 3.24 H new ATOM 0 HG2 PRO A 58 -0.097 -8.054 3.012 1.00 51.12 H new ATOM 0 HG3 PRO A 58 0.394 -9.202 1.782 1.00 51.12 H new ATOM 0 HD2 PRO A 58 1.576 -6.660 2.255 1.00 25.41 H new ATOM 0 HD3 PRO A 58 1.884 -7.694 0.874 1.00 25.41 H new ATOM 891 N GLY A 59 -2.711 -4.733 1.493 1.00 52.53 N ATOM 892 CA GLY A 59 -3.327 -3.813 2.448 1.00 43.22 C ATOM 893 C GLY A 59 -4.821 -3.615 2.220 1.00 34.41 C ATOM 894 O GLY A 59 -5.392 -4.154 1.268 1.00 72.14 O ATOM 0 H GLY A 59 -3.120 -4.715 0.559 1.00 52.53 H new ATOM 0 HA2 GLY A 59 -3.168 -4.190 3.458 1.00 43.22 H new ATOM 0 HA3 GLY A 59 -2.826 -2.847 2.385 1.00 43.22 H new ATOM 898 N LEU A 60 -5.454 -2.843 3.100 1.00 74.00 N ATOM 899 CA LEU A 60 -6.884 -2.536 2.983 1.00 53.21 C ATOM 900 C LEU A 60 -7.097 -1.174 2.313 1.00 2.13 C ATOM 901 O LEU A 60 -6.460 -0.184 2.679 1.00 73.11 O ATOM 902 CB LEU A 60 -7.549 -2.536 4.369 1.00 15.05 C ATOM 903 CG LEU A 60 -9.050 -2.182 4.383 1.00 41.13 C ATOM 904 CD1 LEU A 60 -9.866 -3.213 3.607 1.00 73.14 C ATOM 905 CD2 LEU A 60 -9.560 -2.052 5.816 1.00 40.32 C ATOM 0 H LEU A 60 -5.000 -2.415 3.907 1.00 74.00 H new ATOM 0 HA LEU A 60 -7.342 -3.308 2.365 1.00 53.21 H new ATOM 0 HB2 LEU A 60 -7.422 -3.523 4.814 1.00 15.05 H new ATOM 0 HB3 LEU A 60 -7.020 -1.828 5.007 1.00 15.05 H new ATOM 0 HG LEU A 60 -9.173 -1.219 3.888 1.00 41.13 H new ATOM 0 HD11 LEU A 60 -10.920 -2.938 3.634 1.00 73.14 H new ATOM 0 HD12 LEU A 60 -9.525 -3.243 2.572 1.00 73.14 H new ATOM 0 HD13 LEU A 60 -9.736 -4.196 4.060 1.00 73.14 H new ATOM 0 HD21 LEU A 60 -10.621 -1.802 5.803 1.00 40.32 H new ATOM 0 HD22 LEU A 60 -9.416 -2.997 6.341 1.00 40.32 H new ATOM 0 HD23 LEU A 60 -9.008 -1.264 6.329 1.00 40.32 H new ATOM 917 N ASN A 61 -7.988 -1.133 1.330 1.00 72.13 N ATOM 918 CA ASN A 61 -8.310 0.111 0.625 1.00 12.51 C ATOM 919 C ASN A 61 -9.551 0.791 1.236 1.00 63.33 C ATOM 920 O ASN A 61 -10.493 0.116 1.657 1.00 34.04 O ATOM 921 CB ASN A 61 -8.553 -0.190 -0.855 1.00 54.41 C ATOM 922 CG ASN A 61 -8.759 1.066 -1.670 1.00 23.13 C ATOM 923 OD1 ASN A 61 -9.873 1.557 -1.795 1.00 23.24 O ATOM 924 ND2 ASN A 61 -7.694 1.590 -2.240 1.00 21.42 N ATOM 0 H ASN A 61 -8.505 -1.948 0.999 1.00 72.13 H new ATOM 0 HA ASN A 61 -7.468 0.795 0.727 1.00 12.51 H new ATOM 0 HB2 ASN A 61 -7.704 -0.745 -1.255 1.00 54.41 H new ATOM 0 HB3 ASN A 61 -9.428 -0.832 -0.954 1.00 54.41 H new ATOM 0 HD21 ASN A 61 -7.782 2.433 -2.808 1.00 21.42 H new ATOM 0 HD22 ASN A 61 -6.781 1.153 -2.114 1.00 21.42 H new ATOM 931 N GLU A 62 -9.549 2.125 1.284 1.00 0.40 N ATOM 932 CA GLU A 62 -10.675 2.885 1.852 1.00 41.52 C ATOM 933 C GLU A 62 -11.804 3.127 0.828 1.00 5.43 C ATOM 934 O GLU A 62 -12.960 2.778 1.076 1.00 20.13 O ATOM 935 CB GLU A 62 -10.182 4.228 2.413 1.00 12.11 C ATOM 936 CG GLU A 62 -9.364 4.106 3.698 1.00 45.34 C ATOM 937 CD GLU A 62 -10.186 3.606 4.877 1.00 13.20 C ATOM 938 OE1 GLU A 62 -11.004 4.385 5.414 1.00 22.33 O ATOM 939 OE2 GLU A 62 -10.024 2.435 5.276 1.00 13.03 O ATOM 0 H GLU A 62 -8.784 2.704 0.938 1.00 0.40 H new ATOM 0 HA GLU A 62 -11.091 2.280 2.657 1.00 41.52 H new ATOM 0 HB2 GLU A 62 -9.576 4.725 1.655 1.00 12.11 H new ATOM 0 HB3 GLU A 62 -11.044 4.868 2.603 1.00 12.11 H new ATOM 0 HG2 GLU A 62 -8.530 3.425 3.528 1.00 45.34 H new ATOM 0 HG3 GLU A 62 -8.937 5.078 3.945 1.00 45.34 H new ATOM 946 N ARG A 63 -11.471 3.732 -0.312 1.00 13.43 N ATOM 947 CA ARG A 63 -12.482 4.124 -1.309 1.00 23.33 C ATOM 948 C ARG A 63 -13.202 2.906 -1.919 1.00 1.10 C ATOM 949 O ARG A 63 -14.428 2.810 -1.873 1.00 31.32 O ATOM 950 CB ARG A 63 -11.826 4.966 -2.412 1.00 51.11 C ATOM 951 CG ARG A 63 -12.794 5.531 -3.449 1.00 62.01 C ATOM 952 CD ARG A 63 -12.089 6.481 -4.410 1.00 50.13 C ATOM 953 NE ARG A 63 -12.986 6.991 -5.447 1.00 63.22 N ATOM 954 CZ ARG A 63 -12.865 8.163 -6.009 1.00 0.32 C ATOM 955 NH1 ARG A 63 -11.944 8.991 -5.630 1.00 41.34 N ATOM 956 NH2 ARG A 63 -13.681 8.515 -6.946 1.00 51.33 N ATOM 0 H ARG A 63 -10.512 3.963 -0.573 1.00 13.43 H new ATOM 0 HA ARG A 63 -13.238 4.719 -0.797 1.00 23.33 H new ATOM 0 HB2 ARG A 63 -11.290 5.794 -1.947 1.00 51.11 H new ATOM 0 HB3 ARG A 63 -11.084 4.353 -2.924 1.00 51.11 H new ATOM 0 HG2 ARG A 63 -13.246 4.713 -4.010 1.00 62.01 H new ATOM 0 HG3 ARG A 63 -13.604 6.057 -2.944 1.00 62.01 H new ATOM 0 HD2 ARG A 63 -11.673 7.318 -3.849 1.00 50.13 H new ATOM 0 HD3 ARG A 63 -11.252 5.964 -4.879 1.00 50.13 H new ATOM 0 HE ARG A 63 -13.755 6.393 -5.750 1.00 63.22 H new ATOM 0 HH11 ARG A 63 -11.300 8.731 -4.883 1.00 41.34 H new ATOM 0 HH12 ARG A 63 -11.862 9.903 -6.079 1.00 41.34 H new ATOM 0 HH21 ARG A 63 -14.419 7.878 -7.246 1.00 51.33 H new ATOM 0 HH22 ARG A 63 -13.588 9.430 -7.386 1.00 51.33 H new ATOM 970 N THR A 64 -12.434 1.977 -2.489 1.00 70.41 N ATOM 971 CA THR A 64 -13.003 0.766 -3.111 1.00 1.13 C ATOM 972 C THR A 64 -13.324 -0.317 -2.068 1.00 23.34 C ATOM 973 O THR A 64 -14.079 -1.256 -2.343 1.00 44.31 O ATOM 974 CB THR A 64 -12.042 0.157 -4.160 1.00 12.10 C ATOM 975 OG1 THR A 64 -10.860 -0.331 -3.511 1.00 22.04 O ATOM 976 CG2 THR A 64 -11.659 1.179 -5.225 1.00 40.33 C ATOM 0 H THR A 64 -11.417 2.034 -2.536 1.00 70.41 H new ATOM 0 HA THR A 64 -13.924 1.086 -3.598 1.00 1.13 H new ATOM 0 HB THR A 64 -12.559 -0.667 -4.652 1.00 12.10 H new ATOM 0 HG1 THR A 64 -10.606 0.282 -2.789 1.00 22.04 H new ATOM 0 HG21 THR A 64 -10.983 0.718 -5.945 1.00 40.33 H new ATOM 0 HG22 THR A 64 -12.557 1.523 -5.738 1.00 40.33 H new ATOM 0 HG23 THR A 64 -11.163 2.027 -4.754 1.00 40.33 H new ATOM 984 N ARG A 65 -12.743 -0.176 -0.871 1.00 23.11 N ATOM 985 CA ARG A 65 -12.929 -1.137 0.229 1.00 10.34 C ATOM 986 C ARG A 65 -12.418 -2.548 -0.130 1.00 51.30 C ATOM 987 O ARG A 65 -12.768 -3.531 0.527 1.00 55.20 O ATOM 988 CB ARG A 65 -14.408 -1.191 0.636 1.00 31.03 C ATOM 989 CG ARG A 65 -14.962 0.154 1.102 1.00 43.42 C ATOM 990 CD ARG A 65 -16.451 0.074 1.410 1.00 71.33 C ATOM 991 NE ARG A 65 -16.742 -0.890 2.470 1.00 71.25 N ATOM 992 CZ ARG A 65 -17.939 -1.152 2.921 1.00 52.31 C ATOM 993 NH1 ARG A 65 -18.982 -0.554 2.436 1.00 20.13 N ATOM 994 NH2 ARG A 65 -18.085 -2.018 3.868 1.00 12.43 N ATOM 0 H ARG A 65 -12.131 0.605 -0.635 1.00 23.11 H new ATOM 0 HA ARG A 65 -12.332 -0.787 1.071 1.00 10.34 H new ATOM 0 HB2 ARG A 65 -14.997 -1.544 -0.211 1.00 31.03 H new ATOM 0 HB3 ARG A 65 -14.530 -1.922 1.436 1.00 31.03 H new ATOM 0 HG2 ARG A 65 -14.424 0.481 1.992 1.00 43.42 H new ATOM 0 HG3 ARG A 65 -14.790 0.905 0.331 1.00 43.42 H new ATOM 0 HD2 ARG A 65 -16.813 1.058 1.706 1.00 71.33 H new ATOM 0 HD3 ARG A 65 -16.993 -0.206 0.507 1.00 71.33 H new ATOM 0 HE ARG A 65 -15.957 -1.392 2.885 1.00 71.25 H new ATOM 0 HH11 ARG A 65 -18.875 0.133 1.690 1.00 20.13 H new ATOM 0 HH12 ARG A 65 -19.910 -0.771 2.800 1.00 20.13 H new ATOM 0 HH21 ARG A 65 -17.269 -2.491 4.257 1.00 12.43 H new ATOM 0 HH22 ARG A 65 -19.016 -2.229 4.227 1.00 12.43 H new ATOM 1008 N GLN A 66 -11.575 -2.642 -1.160 1.00 32.01 N ATOM 1009 CA GLN A 66 -11.035 -3.933 -1.613 1.00 72.31 C ATOM 1010 C GLN A 66 -9.765 -4.328 -0.838 1.00 35.41 C ATOM 1011 O GLN A 66 -9.144 -3.502 -0.162 1.00 62.45 O ATOM 1012 CB GLN A 66 -10.723 -3.878 -3.115 1.00 20.22 C ATOM 1013 CG GLN A 66 -11.940 -3.613 -3.998 1.00 40.41 C ATOM 1014 CD GLN A 66 -11.574 -3.441 -5.467 1.00 60.31 C ATOM 1015 OE1 GLN A 66 -10.492 -2.973 -5.802 1.00 12.04 O ATOM 1016 NE2 GLN A 66 -12.473 -3.813 -6.357 1.00 21.30 N ATOM 0 H GLN A 66 -11.249 -1.840 -1.699 1.00 32.01 H new ATOM 0 HA GLN A 66 -11.796 -4.689 -1.421 1.00 72.31 H new ATOM 0 HB2 GLN A 66 -9.983 -3.098 -3.292 1.00 20.22 H new ATOM 0 HB3 GLN A 66 -10.269 -4.822 -3.415 1.00 20.22 H new ATOM 0 HG2 GLN A 66 -12.644 -4.439 -3.897 1.00 40.41 H new ATOM 0 HG3 GLN A 66 -12.450 -2.716 -3.647 1.00 40.41 H new ATOM 0 HE21 GLN A 66 -13.365 -4.199 -6.050 1.00 21.30 H new ATOM 0 HE22 GLN A 66 -12.276 -3.714 -7.353 1.00 21.30 H new ATOM 1025 N ARG A 67 -9.388 -5.604 -0.948 1.00 51.32 N ATOM 1026 CA ARG A 67 -8.178 -6.137 -0.302 1.00 1.34 C ATOM 1027 C ARG A 67 -7.309 -6.895 -1.319 1.00 51.31 C ATOM 1028 O ARG A 67 -7.811 -7.742 -2.063 1.00 52.10 O ATOM 1029 CB ARG A 67 -8.558 -7.095 0.834 1.00 43.10 C ATOM 1030 CG ARG A 67 -9.399 -6.469 1.942 1.00 43.23 C ATOM 1031 CD ARG A 67 -9.889 -7.528 2.927 1.00 73.24 C ATOM 1032 NE ARG A 67 -10.710 -8.543 2.263 1.00 32.33 N ATOM 1033 CZ ARG A 67 -10.482 -9.830 2.302 1.00 24.42 C ATOM 1034 NH1 ARG A 67 -9.502 -10.313 2.997 1.00 75.12 N ATOM 1035 NH2 ARG A 67 -11.246 -10.636 1.640 1.00 74.35 N ATOM 0 H ARG A 67 -9.908 -6.298 -1.485 1.00 51.32 H new ATOM 0 HA ARG A 67 -7.615 -5.294 0.099 1.00 1.34 H new ATOM 0 HB2 ARG A 67 -9.106 -7.937 0.412 1.00 43.10 H new ATOM 0 HB3 ARG A 67 -7.645 -7.497 1.273 1.00 43.10 H new ATOM 0 HG2 ARG A 67 -8.809 -5.721 2.472 1.00 43.23 H new ATOM 0 HG3 ARG A 67 -10.253 -5.951 1.506 1.00 43.23 H new ATOM 0 HD2 ARG A 67 -9.033 -8.006 3.404 1.00 73.24 H new ATOM 0 HD3 ARG A 67 -10.468 -7.050 3.717 1.00 73.24 H new ATOM 0 HE ARG A 67 -11.519 -8.222 1.731 1.00 32.33 H new ATOM 0 HH11 ARG A 67 -8.894 -9.687 3.525 1.00 75.12 H new ATOM 0 HH12 ARG A 67 -9.338 -11.320 3.017 1.00 75.12 H new ATOM 0 HH21 ARG A 67 -12.022 -10.267 1.091 1.00 74.35 H new ATOM 0 HH22 ARG A 67 -11.072 -11.641 1.667 1.00 74.35 H new ATOM 1049 N GLY A 68 -6.012 -6.605 -1.348 1.00 4.43 N ATOM 1050 CA GLY A 68 -5.116 -7.316 -2.257 1.00 22.13 C ATOM 1051 C GLY A 68 -3.707 -6.742 -2.303 1.00 53.43 C ATOM 1052 O GLY A 68 -3.346 -5.884 -1.493 1.00 61.40 O ATOM 0 H GLY A 68 -5.563 -5.898 -0.766 1.00 4.43 H new ATOM 0 HA2 GLY A 68 -5.063 -8.362 -1.955 1.00 22.13 H new ATOM 0 HA3 GLY A 68 -5.540 -7.295 -3.261 1.00 22.13 H new ATOM 1056 N ASP A 69 -2.915 -7.223 -3.257 1.00 33.32 N ATOM 1057 CA ASP A 69 -1.531 -6.776 -3.428 1.00 62.21 C ATOM 1058 C ASP A 69 -1.458 -5.559 -4.368 1.00 61.24 C ATOM 1059 O ASP A 69 -1.907 -5.624 -5.518 1.00 32.01 O ATOM 1060 CB ASP A 69 -0.697 -7.931 -3.993 1.00 23.43 C ATOM 1061 CG ASP A 69 0.796 -7.643 -3.992 1.00 60.21 C ATOM 1062 OD1 ASP A 69 1.251 -6.817 -4.809 1.00 12.10 O ATOM 1063 OD2 ASP A 69 1.521 -8.257 -3.180 1.00 22.11 O ATOM 0 H ASP A 69 -3.210 -7.930 -3.931 1.00 33.32 H new ATOM 0 HA ASP A 69 -1.134 -6.474 -2.459 1.00 62.21 H new ATOM 0 HB2 ASP A 69 -0.888 -8.830 -3.407 1.00 23.43 H new ATOM 0 HB3 ASP A 69 -1.020 -8.140 -5.013 1.00 23.43 H new ATOM 1068 N PHE A 70 -0.884 -4.460 -3.886 1.00 15.30 N ATOM 1069 CA PHE A 70 -0.758 -3.237 -4.691 1.00 33.01 C ATOM 1070 C PHE A 70 0.685 -2.695 -4.670 1.00 21.31 C ATOM 1071 O PHE A 70 1.421 -2.900 -3.699 1.00 14.05 O ATOM 1072 CB PHE A 70 -1.739 -2.164 -4.186 1.00 32.21 C ATOM 1073 CG PHE A 70 -1.452 -1.670 -2.789 1.00 53.14 C ATOM 1074 CD1 PHE A 70 -1.875 -2.390 -1.681 1.00 4.54 C ATOM 1075 CD2 PHE A 70 -0.759 -0.482 -2.586 1.00 21.43 C ATOM 1076 CE1 PHE A 70 -1.614 -1.938 -0.402 1.00 32.03 C ATOM 1077 CE2 PHE A 70 -0.497 -0.027 -1.309 1.00 20.15 C ATOM 1078 CZ PHE A 70 -0.924 -0.755 -0.216 1.00 32.23 C ATOM 0 H PHE A 70 -0.498 -4.386 -2.945 1.00 15.30 H new ATOM 0 HA PHE A 70 -1.005 -3.488 -5.723 1.00 33.01 H new ATOM 0 HB2 PHE A 70 -1.716 -1.316 -4.871 1.00 32.21 H new ATOM 0 HB3 PHE A 70 -2.750 -2.570 -4.215 1.00 32.21 H new ATOM 0 HD1 PHE A 70 -2.415 -3.315 -1.820 1.00 4.54 H new ATOM 0 HD2 PHE A 70 -0.422 0.091 -3.437 1.00 21.43 H new ATOM 0 HE1 PHE A 70 -1.949 -2.508 0.452 1.00 32.03 H new ATOM 0 HE2 PHE A 70 0.042 0.898 -1.165 1.00 20.15 H new ATOM 0 HZ PHE A 70 -0.719 -0.400 0.783 1.00 32.23 H new ATOM 1088 N PRO A 71 1.112 -1.997 -5.747 1.00 14.00 N ATOM 1089 CA PRO A 71 2.458 -1.408 -5.824 1.00 64.55 C ATOM 1090 C PRO A 71 2.593 -0.110 -5.003 1.00 55.34 C ATOM 1091 O PRO A 71 1.903 0.880 -5.254 1.00 53.14 O ATOM 1092 CB PRO A 71 2.622 -1.128 -7.322 1.00 42.14 C ATOM 1093 CG PRO A 71 1.236 -0.861 -7.804 1.00 63.34 C ATOM 1094 CD PRO A 71 0.327 -1.740 -6.975 1.00 25.43 C ATOM 0 HA PRO A 71 3.220 -2.068 -5.409 1.00 64.55 H new ATOM 0 HB2 PRO A 71 3.275 -0.273 -7.497 1.00 42.14 H new ATOM 0 HB3 PRO A 71 3.065 -1.979 -7.839 1.00 42.14 H new ATOM 0 HG2 PRO A 71 0.977 0.191 -7.683 1.00 63.34 H new ATOM 0 HG3 PRO A 71 1.141 -1.093 -8.865 1.00 63.34 H new ATOM 0 HD2 PRO A 71 -0.616 -1.242 -6.750 1.00 25.43 H new ATOM 0 HD3 PRO A 71 0.082 -2.666 -7.495 1.00 25.43 H new ATOM 1102 N GLY A 72 3.510 -0.115 -4.038 1.00 41.42 N ATOM 1103 CA GLY A 72 3.710 1.045 -3.172 1.00 61.20 C ATOM 1104 C GLY A 72 4.503 2.179 -3.826 1.00 3.32 C ATOM 1105 O GLY A 72 4.987 3.080 -3.144 1.00 51.31 O ATOM 0 H GLY A 72 4.123 -0.905 -3.836 1.00 41.42 H new ATOM 0 HA2 GLY A 72 2.737 1.427 -2.863 1.00 61.20 H new ATOM 0 HA3 GLY A 72 4.229 0.726 -2.268 1.00 61.20 H new ATOM 1109 N THR A 73 4.627 2.146 -5.147 1.00 3.42 N ATOM 1110 CA THR A 73 5.364 3.180 -5.887 1.00 20.31 C ATOM 1111 C THR A 73 4.503 4.435 -6.117 1.00 61.21 C ATOM 1112 O THR A 73 5.023 5.524 -6.361 1.00 1.12 O ATOM 1113 CB THR A 73 5.847 2.637 -7.255 1.00 44.41 C ATOM 1114 OG1 THR A 73 6.528 1.386 -7.070 1.00 13.04 O ATOM 1115 CG2 THR A 73 6.782 3.623 -7.955 1.00 14.11 C ATOM 0 H THR A 73 4.228 1.415 -5.735 1.00 3.42 H new ATOM 0 HA THR A 73 6.226 3.455 -5.278 1.00 20.31 H new ATOM 0 HB THR A 73 4.968 2.496 -7.884 1.00 44.41 H new ATOM 0 HG1 THR A 73 6.830 1.046 -7.938 1.00 13.04 H new ATOM 0 HG21 THR A 73 7.100 3.207 -8.911 1.00 14.11 H new ATOM 0 HG22 THR A 73 6.258 4.564 -8.125 1.00 14.11 H new ATOM 0 HG23 THR A 73 7.656 3.803 -7.329 1.00 14.11 H new ATOM 1123 N TYR A 74 3.182 4.277 -6.031 1.00 15.31 N ATOM 1124 CA TYR A 74 2.241 5.380 -6.299 1.00 43.02 C ATOM 1125 C TYR A 74 1.629 5.955 -5.008 1.00 24.22 C ATOM 1126 O TYR A 74 0.670 6.728 -5.067 1.00 13.44 O ATOM 1127 CB TYR A 74 1.103 4.890 -7.213 1.00 73.54 C ATOM 1128 CG TYR A 74 1.557 4.371 -8.568 1.00 21.54 C ATOM 1129 CD1 TYR A 74 2.005 3.062 -8.722 1.00 60.32 C ATOM 1130 CD2 TYR A 74 1.534 5.190 -9.693 1.00 41.34 C ATOM 1131 CE1 TYR A 74 2.412 2.586 -9.954 1.00 12.13 C ATOM 1132 CE2 TYR A 74 1.938 4.720 -10.928 1.00 5.23 C ATOM 1133 CZ TYR A 74 2.378 3.420 -11.052 1.00 62.52 C ATOM 1134 OH TYR A 74 2.784 2.948 -12.283 1.00 42.32 O ATOM 0 H TYR A 74 2.733 3.397 -5.778 1.00 15.31 H new ATOM 0 HA TYR A 74 2.810 6.172 -6.786 1.00 43.02 H new ATOM 0 HB2 TYR A 74 0.558 4.098 -6.699 1.00 73.54 H new ATOM 0 HB3 TYR A 74 0.402 5.710 -7.369 1.00 73.54 H new ATOM 0 HD1 TYR A 74 2.035 2.407 -7.864 1.00 60.32 H new ATOM 0 HD2 TYR A 74 1.194 6.211 -9.599 1.00 41.34 H new ATOM 0 HE1 TYR A 74 2.755 1.567 -10.056 1.00 12.13 H new ATOM 0 HE2 TYR A 74 1.909 5.368 -11.791 1.00 5.23 H new ATOM 0 HH TYR A 74 2.698 3.660 -12.951 1.00 42.32 H new ATOM 1144 N VAL A 75 2.180 5.595 -3.846 1.00 65.01 N ATOM 1145 CA VAL A 75 1.566 5.968 -2.562 1.00 71.33 C ATOM 1146 C VAL A 75 2.503 6.788 -1.651 1.00 53.01 C ATOM 1147 O VAL A 75 3.717 6.591 -1.639 1.00 52.01 O ATOM 1148 CB VAL A 75 1.083 4.714 -1.787 1.00 11.53 C ATOM 1149 CG1 VAL A 75 0.041 3.939 -2.594 1.00 3.25 C ATOM 1150 CG2 VAL A 75 2.261 3.815 -1.416 1.00 32.14 C ATOM 0 H VAL A 75 3.040 5.052 -3.764 1.00 65.01 H new ATOM 0 HA VAL A 75 0.716 6.600 -2.821 1.00 71.33 H new ATOM 0 HB VAL A 75 0.611 5.052 -0.864 1.00 11.53 H new ATOM 0 HG11 VAL A 75 -0.281 3.065 -2.028 1.00 3.25 H new ATOM 0 HG12 VAL A 75 -0.818 4.581 -2.790 1.00 3.25 H new ATOM 0 HG13 VAL A 75 0.478 3.618 -3.540 1.00 3.25 H new ATOM 0 HG21 VAL A 75 1.896 2.943 -0.873 1.00 32.14 H new ATOM 0 HG22 VAL A 75 2.771 3.491 -2.323 1.00 32.14 H new ATOM 0 HG23 VAL A 75 2.957 4.369 -0.786 1.00 32.14 H new ATOM 1160 N GLU A 76 1.908 7.709 -0.892 1.00 20.01 N ATOM 1161 CA GLU A 76 2.632 8.525 0.095 1.00 42.22 C ATOM 1162 C GLU A 76 2.580 7.895 1.493 1.00 20.13 C ATOM 1163 O GLU A 76 1.505 7.538 1.976 1.00 4.20 O ATOM 1164 CB GLU A 76 2.006 9.928 0.164 1.00 60.13 C ATOM 1165 CG GLU A 76 2.325 10.818 -1.028 1.00 71.43 C ATOM 1166 CD GLU A 76 3.694 11.477 -0.927 1.00 53.12 C ATOM 1167 OE1 GLU A 76 4.714 10.784 -1.091 1.00 62.03 O ATOM 1168 OE2 GLU A 76 3.750 12.701 -0.674 1.00 23.31 O ATOM 0 H GLU A 76 0.910 7.914 -0.941 1.00 20.01 H new ATOM 0 HA GLU A 76 3.673 8.584 -0.223 1.00 42.22 H new ATOM 0 HB2 GLU A 76 0.924 9.826 0.247 1.00 60.13 H new ATOM 0 HB3 GLU A 76 2.350 10.422 1.073 1.00 60.13 H new ATOM 0 HG2 GLU A 76 2.280 10.224 -1.941 1.00 71.43 H new ATOM 0 HG3 GLU A 76 1.561 11.591 -1.113 1.00 71.43 H new ATOM 1175 N PHE A 77 3.733 7.778 2.148 1.00 70.34 N ATOM 1176 CA PHE A 77 3.778 7.313 3.537 1.00 12.53 C ATOM 1177 C PHE A 77 3.197 8.379 4.478 1.00 74.54 C ATOM 1178 O PHE A 77 3.863 9.361 4.815 1.00 64.01 O ATOM 1179 CB PHE A 77 5.219 6.970 3.946 1.00 73.10 C ATOM 1180 CG PHE A 77 5.360 6.562 5.396 1.00 54.13 C ATOM 1181 CD1 PHE A 77 4.829 5.362 5.851 1.00 74.41 C ATOM 1182 CD2 PHE A 77 6.021 7.382 6.303 1.00 23.22 C ATOM 1183 CE1 PHE A 77 4.957 4.990 7.174 1.00 44.24 C ATOM 1184 CE2 PHE A 77 6.149 7.011 7.627 1.00 55.35 C ATOM 1185 CZ PHE A 77 5.617 5.815 8.063 1.00 53.14 C ATOM 0 H PHE A 77 4.644 7.996 1.745 1.00 70.34 H new ATOM 0 HA PHE A 77 3.172 6.410 3.616 1.00 12.53 H new ATOM 0 HB2 PHE A 77 5.584 6.161 3.313 1.00 73.10 H new ATOM 0 HB3 PHE A 77 5.856 7.834 3.758 1.00 73.10 H new ATOM 0 HD1 PHE A 77 4.310 4.712 5.162 1.00 74.41 H new ATOM 0 HD2 PHE A 77 6.439 8.320 5.969 1.00 23.22 H new ATOM 0 HE1 PHE A 77 4.541 4.053 7.514 1.00 44.24 H new ATOM 0 HE2 PHE A 77 6.666 7.657 8.321 1.00 55.35 H new ATOM 0 HZ PHE A 77 5.717 5.524 9.098 1.00 53.14 H new ATOM 1195 N LEU A 78 1.946 8.191 4.881 1.00 12.04 N ATOM 1196 CA LEU A 78 1.256 9.159 5.739 1.00 14.14 C ATOM 1197 C LEU A 78 1.759 9.081 7.188 1.00 25.30 C ATOM 1198 O LEU A 78 2.069 10.104 7.805 1.00 35.21 O ATOM 1199 CB LEU A 78 -0.261 8.934 5.682 1.00 22.33 C ATOM 1200 CG LEU A 78 -0.873 8.986 4.269 1.00 53.41 C ATOM 1201 CD1 LEU A 78 -2.390 8.838 4.321 1.00 63.33 C ATOM 1202 CD2 LEU A 78 -0.477 10.276 3.550 1.00 23.23 C ATOM 0 H LEU A 78 1.384 7.378 4.629 1.00 12.04 H new ATOM 0 HA LEU A 78 1.478 10.158 5.365 1.00 14.14 H new ATOM 0 HB2 LEU A 78 -0.486 7.963 6.124 1.00 22.33 H new ATOM 0 HB3 LEU A 78 -0.749 9.687 6.301 1.00 22.33 H new ATOM 0 HG LEU A 78 -0.474 8.145 3.702 1.00 53.41 H new ATOM 0 HD11 LEU A 78 -2.794 8.878 3.310 1.00 63.33 H new ATOM 0 HD12 LEU A 78 -2.647 7.882 4.777 1.00 63.33 H new ATOM 0 HD13 LEU A 78 -2.814 9.648 4.914 1.00 63.33 H new ATOM 0 HD21 LEU A 78 -0.921 10.289 2.555 1.00 23.23 H new ATOM 0 HD22 LEU A 78 -0.835 11.134 4.119 1.00 23.23 H new ATOM 0 HD23 LEU A 78 0.608 10.326 3.463 1.00 23.23 H new ATOM 1214 N GLY A 79 1.846 7.869 7.727 1.00 54.40 N ATOM 1215 CA GLY A 79 2.356 7.693 9.082 1.00 12.13 C ATOM 1216 C GLY A 79 1.744 6.506 9.824 1.00 42.23 C ATOM 1217 O GLY A 79 0.870 5.816 9.294 1.00 52.01 O ATOM 0 H GLY A 79 1.575 7.006 7.255 1.00 54.40 H new ATOM 0 HA2 GLY A 79 3.437 7.564 9.039 1.00 12.13 H new ATOM 0 HA3 GLY A 79 2.166 8.602 9.652 1.00 12.13 H new ATOM 1221 N PRO A 80 2.208 6.238 11.062 1.00 13.31 N ATOM 1222 CA PRO A 80 1.695 5.145 11.904 1.00 14.23 C ATOM 1223 C PRO A 80 0.381 5.506 12.617 1.00 43.32 C ATOM 1224 O PRO A 80 0.233 6.608 13.153 1.00 41.23 O ATOM 1225 CB PRO A 80 2.823 4.919 12.936 1.00 54.44 C ATOM 1226 CG PRO A 80 3.921 5.877 12.572 1.00 51.33 C ATOM 1227 CD PRO A 80 3.286 6.959 11.744 1.00 31.10 C ATOM 0 HA PRO A 80 1.457 4.263 11.310 1.00 14.23 H new ATOM 0 HB2 PRO A 80 2.466 5.103 13.949 1.00 54.44 H new ATOM 0 HB3 PRO A 80 3.179 3.889 12.905 1.00 54.44 H new ATOM 0 HG2 PRO A 80 4.384 6.294 13.466 1.00 51.33 H new ATOM 0 HG3 PRO A 80 4.708 5.371 12.012 1.00 51.33 H new ATOM 0 HD2 PRO A 80 2.904 7.772 12.361 1.00 31.10 H new ATOM 0 HD3 PRO A 80 3.991 7.398 11.039 1.00 31.10 H new ATOM 1235 N LEU A 81 -0.560 4.563 12.642 1.00 14.52 N ATOM 1236 CA LEU A 81 -1.869 4.788 13.273 1.00 12.33 C ATOM 1237 C LEU A 81 -1.797 4.628 14.800 1.00 23.21 C ATOM 1238 O LEU A 81 -1.011 3.831 15.316 1.00 41.12 O ATOM 1239 CB LEU A 81 -2.931 3.823 12.710 1.00 20.02 C ATOM 1240 CG LEU A 81 -3.296 4.004 11.224 1.00 22.14 C ATOM 1241 CD1 LEU A 81 -2.143 3.583 10.323 1.00 40.22 C ATOM 1242 CD2 LEU A 81 -4.562 3.218 10.884 1.00 52.50 C ATOM 0 H LEU A 81 -0.445 3.635 12.234 1.00 14.52 H new ATOM 0 HA LEU A 81 -2.157 5.814 13.042 1.00 12.33 H new ATOM 0 HB2 LEU A 81 -2.577 2.802 12.854 1.00 20.02 H new ATOM 0 HB3 LEU A 81 -3.840 3.931 13.302 1.00 20.02 H new ATOM 0 HG LEU A 81 -3.489 5.062 11.049 1.00 22.14 H new ATOM 0 HD11 LEU A 81 -2.427 3.721 9.280 1.00 40.22 H new ATOM 0 HD12 LEU A 81 -1.267 4.193 10.544 1.00 40.22 H new ATOM 0 HD13 LEU A 81 -1.908 2.533 10.499 1.00 40.22 H new ATOM 0 HD21 LEU A 81 -4.805 3.357 9.831 1.00 52.50 H new ATOM 0 HD22 LEU A 81 -4.397 2.159 11.081 1.00 52.50 H new ATOM 0 HD23 LEU A 81 -5.389 3.576 11.497 1.00 52.50 H new ATOM 1254 N GLU A 82 -2.630 5.387 15.515 1.00 71.11 N ATOM 1255 CA GLU A 82 -2.721 5.286 16.981 1.00 12.45 C ATOM 1256 C GLU A 82 -4.182 5.435 17.462 1.00 11.53 C ATOM 1257 O GLU A 82 -4.663 6.586 17.585 1.00 37.34 O ATOM 1258 CB GLU A 82 -1.831 6.348 17.647 1.00 41.50 C ATOM 1259 CG GLU A 82 -1.756 6.225 19.167 1.00 33.33 C ATOM 1260 CD GLU A 82 -0.929 7.328 19.806 1.00 75.42 C ATOM 1261 OE1 GLU A 82 0.313 7.202 19.845 1.00 51.21 O ATOM 1262 OE2 GLU A 82 -1.517 8.327 20.277 1.00 51.51 O ATOM 0 H GLU A 82 -3.255 6.081 15.105 1.00 71.11 H new ATOM 0 HA GLU A 82 -2.369 4.296 17.272 1.00 12.45 H new ATOM 0 HB2 GLU A 82 -0.824 6.274 17.236 1.00 41.50 H new ATOM 0 HB3 GLU A 82 -2.209 7.338 17.390 1.00 41.50 H new ATOM 0 HG2 GLU A 82 -2.765 6.248 19.579 1.00 33.33 H new ATOM 0 HG3 GLU A 82 -1.327 5.258 19.428 1.00 33.33 H new TER 1269 GLU A 82