USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot 108:sc= -2.38 USER MOD Set 1.2: A 21 MET CE :methyl -162:sc= -5.41! (180deg=-7.26!) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.52 K(o=-3.8,f=-9.2) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 163:sc= -2.23 (180deg=-3.31!) USER MOD Set 3.1: A 2 GLN : amide:sc= -7.01! C(o=-6.3!,f=-16!) USER MOD Set 3.2: A 4 SER OG : rot -46:sc= 0.756 USER MOD Single : A 15 THR OG1 : rot 68:sc= -0.133 USER MOD Single : A 22 MET CE :methyl -170:sc= -4.24! (180deg=-4.38!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 24 THR OG1 : rot 32:sc= 0.35 USER MOD Single : A 28 SER OG : rot 180:sc= -0.437 USER MOD Single : A 30 THR OG1 : rot 11:sc= 0.727 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -141:sc= -8.32! (180deg=-18.1!) USER MOD Single : A 44 GLN : amide:sc= 0.08 X(o=0.08,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.75! C(o=-3.8!,f=-3.8!) USER MOD Single : A 47 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.34) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.143 (180deg=-0.825) USER MOD Single : A 53 THR OG1 : rot -130:sc= -1.22 USER MOD Single : A 54 THR OG1 : rot 170:sc= -1.5! USER MOD Single : A 56 MET CE :methyl 156:sc= -5.63! (180deg=-6.48!) USER MOD Single : A 59 MET CE :methyl 170:sc= -4.8! (180deg=-5.07) USER MOD Single : A 63 TYR OH : rot 133:sc= -0.625 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.282 0.421 -4.766 1.00 73.32 N ATOM 33 CA GLN A 2 -1.705 1.515 -5.623 1.00 44.34 C ATOM 34 C GLN A 2 -2.465 0.976 -6.837 1.00 11.43 C ATOM 35 O GLN A 2 -2.023 0.024 -7.478 1.00 12.30 O ATOM 36 CB GLN A 2 -0.508 2.364 -6.059 1.00 31.32 C ATOM 37 CG GLN A 2 0.149 1.783 -7.313 1.00 33.24 C ATOM 38 CD GLN A 2 -0.640 2.158 -8.569 1.00 34.23 C ATOM 39 OE1 GLN A 2 -1.032 1.317 -9.361 1.00 34.10 O ATOM 40 NE2 GLN A 2 -0.851 3.464 -8.706 1.00 23.13 N ATOM 0 HA GLN A 2 -2.377 2.157 -5.054 1.00 44.34 H new ATOM 0 HB2 GLN A 2 -0.834 3.385 -6.255 1.00 31.32 H new ATOM 0 HB3 GLN A 2 0.222 2.412 -5.251 1.00 31.32 H new ATOM 0 HG2 GLN A 2 1.171 2.153 -7.397 1.00 33.24 H new ATOM 0 HG3 GLN A 2 0.209 0.698 -7.227 1.00 33.24 H new ATOM 0 HE21 GLN A 2 -0.495 4.114 -8.005 1.00 23.13 H new ATOM 0 HE22 GLN A 2 -1.369 3.815 -9.512 1.00 23.13 H new ATOM 49 N GLU A 3 -3.596 1.609 -7.115 1.00 64.21 N ATOM 50 CA GLU A 3 -4.422 1.205 -8.240 1.00 64.31 C ATOM 51 C GLU A 3 -3.760 1.612 -9.558 1.00 43.00 C ATOM 52 O GLU A 3 -3.333 2.755 -9.715 1.00 72.03 O ATOM 53 CB GLU A 3 -5.828 1.796 -8.128 1.00 34.44 C ATOM 54 CG GLU A 3 -6.758 0.855 -7.358 1.00 52.21 C ATOM 55 CD GLU A 3 -8.166 1.444 -7.249 1.00 50.41 C ATOM 56 OE1 GLU A 3 -8.316 2.654 -7.022 1.00 41.22 O ATOM 57 OE2 GLU A 3 -9.126 0.597 -7.410 1.00 45.35 O ATOM 0 H GLU A 3 -3.959 2.398 -6.581 1.00 64.21 H new ATOM 0 HA GLU A 3 -4.517 0.119 -8.224 1.00 64.31 H new ATOM 0 HB2 GLU A 3 -5.782 2.761 -7.623 1.00 34.44 H new ATOM 0 HB3 GLU A 3 -6.231 1.977 -9.125 1.00 34.44 H new ATOM 0 HG2 GLU A 3 -6.802 -0.111 -7.861 1.00 52.21 H new ATOM 0 HG3 GLU A 3 -6.356 0.677 -6.361 1.00 52.21 H new ATOM 65 N SER A 4 -3.695 0.655 -10.471 1.00 63.54 N ATOM 66 CA SER A 4 -3.092 0.899 -11.771 1.00 0.33 C ATOM 67 C SER A 4 -4.126 0.681 -12.877 1.00 32.01 C ATOM 68 O SER A 4 -4.947 -0.231 -12.793 1.00 32.12 O ATOM 69 CB SER A 4 -1.878 -0.004 -11.994 1.00 23.55 C ATOM 70 OG SER A 4 -1.466 -0.651 -10.792 1.00 71.33 O ATOM 0 H SER A 4 -4.050 -0.292 -10.337 1.00 63.54 H new ATOM 0 HA SER A 4 -2.751 1.934 -11.800 1.00 0.33 H new ATOM 0 HB2 SER A 4 -2.118 -0.755 -12.746 1.00 23.55 H new ATOM 0 HB3 SER A 4 -1.053 0.589 -12.388 1.00 23.55 H new ATOM 0 HG SER A 4 -1.439 0.002 -10.062 1.00 71.33 H new ATOM 76 N VAL A 5 -4.053 1.534 -13.888 1.00 63.43 N ATOM 77 CA VAL A 5 -4.972 1.445 -15.010 1.00 13.52 C ATOM 78 C VAL A 5 -4.918 0.034 -15.598 1.00 52.34 C ATOM 79 O VAL A 5 -3.837 -0.518 -15.798 1.00 53.22 O ATOM 80 CB VAL A 5 -4.652 2.534 -16.036 1.00 42.02 C ATOM 81 CG1 VAL A 5 -5.498 2.363 -17.299 1.00 62.44 C ATOM 82 CG2 VAL A 5 -4.841 3.928 -15.434 1.00 70.22 C ATOM 0 H VAL A 5 -3.372 2.290 -13.954 1.00 63.43 H new ATOM 0 HA VAL A 5 -5.996 1.620 -14.680 1.00 13.52 H new ATOM 0 HB VAL A 5 -3.604 2.431 -16.318 1.00 42.02 H new ATOM 0 HG11 VAL A 5 -5.251 3.150 -18.012 1.00 62.44 H new ATOM 0 HG12 VAL A 5 -5.292 1.391 -17.746 1.00 62.44 H new ATOM 0 HG13 VAL A 5 -6.555 2.427 -17.040 1.00 62.44 H new ATOM 0 HG21 VAL A 5 -4.607 4.683 -16.184 1.00 70.22 H new ATOM 0 HG22 VAL A 5 -5.875 4.047 -15.110 1.00 70.22 H new ATOM 0 HG23 VAL A 5 -4.176 4.048 -14.579 1.00 70.22 H new ATOM 92 N VAL A 6 -6.098 -0.509 -15.860 1.00 30.14 N ATOM 93 CA VAL A 6 -6.199 -1.845 -16.421 1.00 63.43 C ATOM 94 C VAL A 6 -7.288 -1.861 -17.496 1.00 65.41 C ATOM 95 O VAL A 6 -8.451 -1.584 -17.210 1.00 51.41 O ATOM 96 CB VAL A 6 -6.444 -2.865 -15.307 1.00 2.53 C ATOM 97 CG1 VAL A 6 -6.810 -4.233 -15.886 1.00 4.34 C ATOM 98 CG2 VAL A 6 -5.230 -2.967 -14.381 1.00 62.32 C ATOM 0 H VAL A 6 -6.992 -0.047 -15.694 1.00 30.14 H new ATOM 0 HA VAL A 6 -5.263 -2.128 -16.902 1.00 63.43 H new ATOM 0 HB VAL A 6 -7.289 -2.517 -14.714 1.00 2.53 H new ATOM 0 HG11 VAL A 6 -6.979 -4.939 -15.073 1.00 4.34 H new ATOM 0 HG12 VAL A 6 -7.717 -4.144 -16.484 1.00 4.34 H new ATOM 0 HG13 VAL A 6 -5.995 -4.592 -16.515 1.00 4.34 H new ATOM 0 HG21 VAL A 6 -5.430 -3.698 -13.598 1.00 62.32 H new ATOM 0 HG22 VAL A 6 -4.359 -3.280 -14.956 1.00 62.32 H new ATOM 0 HG23 VAL A 6 -5.035 -1.995 -13.928 1.00 62.32 H new ATOM 108 N ALA A 7 -6.871 -2.190 -18.710 1.00 40.52 N ATOM 109 CA ALA A 7 -7.796 -2.245 -19.829 1.00 73.42 C ATOM 110 C ALA A 7 -9.057 -3.002 -19.406 1.00 1.14 C ATOM 111 O ALA A 7 -9.074 -4.232 -19.399 1.00 14.20 O ATOM 112 CB ALA A 7 -7.105 -2.891 -21.032 1.00 30.44 C ATOM 0 H ALA A 7 -5.905 -2.421 -18.943 1.00 40.52 H new ATOM 0 HA ALA A 7 -8.098 -1.241 -20.127 1.00 73.42 H new ATOM 0 HB1 ALA A 7 -7.799 -2.932 -21.871 1.00 30.44 H new ATOM 0 HB2 ALA A 7 -6.233 -2.300 -21.311 1.00 30.44 H new ATOM 0 HB3 ALA A 7 -6.790 -3.902 -20.771 1.00 30.44 H new ATOM 118 N ALA A 8 -10.081 -2.235 -19.062 1.00 53.13 N ATOM 119 CA ALA A 8 -11.343 -2.817 -18.638 1.00 72.34 C ATOM 120 C ALA A 8 -11.945 -3.617 -19.796 1.00 14.42 C ATOM 121 O ALA A 8 -12.877 -4.395 -19.599 1.00 31.13 O ATOM 122 CB ALA A 8 -12.277 -1.710 -18.147 1.00 12.24 C ATOM 0 H ALA A 8 -10.062 -1.215 -19.068 1.00 53.13 H new ATOM 0 HA ALA A 8 -11.188 -3.505 -17.807 1.00 72.34 H new ATOM 0 HB1 ALA A 8 -13.224 -2.147 -17.829 1.00 12.24 H new ATOM 0 HB2 ALA A 8 -11.816 -1.191 -17.306 1.00 12.24 H new ATOM 0 HB3 ALA A 8 -12.458 -1.001 -18.955 1.00 12.24 H new ATOM 128 N VAL A 9 -11.388 -3.397 -20.978 1.00 14.34 N ATOM 129 CA VAL A 9 -11.859 -4.087 -22.167 1.00 2.23 C ATOM 130 C VAL A 9 -10.716 -4.185 -23.180 1.00 14.33 C ATOM 131 O VAL A 9 -9.667 -3.569 -22.999 1.00 20.23 O ATOM 132 CB VAL A 9 -13.095 -3.381 -22.727 1.00 15.04 C ATOM 133 CG1 VAL A 9 -14.264 -3.459 -21.742 1.00 71.33 C ATOM 134 CG2 VAL A 9 -12.780 -1.928 -23.089 1.00 74.45 C ATOM 0 H VAL A 9 -10.615 -2.751 -21.138 1.00 14.34 H new ATOM 0 HA VAL A 9 -12.166 -5.104 -21.922 1.00 2.23 H new ATOM 0 HB VAL A 9 -13.391 -3.897 -23.640 1.00 15.04 H new ATOM 0 HG11 VAL A 9 -15.130 -2.950 -22.164 1.00 71.33 H new ATOM 0 HG12 VAL A 9 -14.513 -4.504 -21.555 1.00 71.33 H new ATOM 0 HG13 VAL A 9 -13.982 -2.980 -20.804 1.00 71.33 H new ATOM 0 HG21 VAL A 9 -13.676 -1.449 -23.485 1.00 74.45 H new ATOM 0 HG22 VAL A 9 -12.447 -1.395 -22.198 1.00 74.45 H new ATOM 0 HG23 VAL A 9 -11.993 -1.903 -23.842 1.00 74.45 H new ATOM 144 N LEU A 10 -10.959 -4.963 -24.224 1.00 32.21 N ATOM 145 CA LEU A 10 -9.964 -5.150 -25.266 1.00 2.31 C ATOM 146 C LEU A 10 -9.682 -3.807 -25.943 1.00 13.44 C ATOM 147 O LEU A 10 -10.492 -3.324 -26.733 1.00 11.35 O ATOM 148 CB LEU A 10 -10.404 -6.247 -26.237 1.00 23.31 C ATOM 149 CG LEU A 10 -9.602 -6.355 -27.535 1.00 42.15 C ATOM 150 CD1 LEU A 10 -8.424 -7.317 -27.374 1.00 25.30 C ATOM 151 CD2 LEU A 10 -10.505 -6.746 -28.707 1.00 20.11 C ATOM 0 H LEU A 10 -11.831 -5.471 -24.371 1.00 32.21 H new ATOM 0 HA LEU A 10 -9.024 -5.495 -24.836 1.00 2.31 H new ATOM 0 HB2 LEU A 10 -10.351 -7.205 -25.720 1.00 23.31 H new ATOM 0 HB3 LEU A 10 -11.450 -6.080 -26.493 1.00 23.31 H new ATOM 0 HG LEU A 10 -9.187 -5.373 -27.762 1.00 42.15 H new ATOM 0 HD11 LEU A 10 -7.871 -7.375 -28.311 1.00 25.30 H new ATOM 0 HD12 LEU A 10 -7.764 -6.956 -26.585 1.00 25.30 H new ATOM 0 HD13 LEU A 10 -8.796 -8.307 -27.110 1.00 25.30 H new ATOM 0 HD21 LEU A 10 -9.910 -6.816 -29.617 1.00 20.11 H new ATOM 0 HD22 LEU A 10 -10.970 -7.711 -28.502 1.00 20.11 H new ATOM 0 HD23 LEU A 10 -11.280 -5.990 -28.837 1.00 20.11 H new ATOM 163 N ILE A 11 -8.532 -3.241 -25.608 1.00 23.40 N ATOM 164 CA ILE A 11 -8.133 -1.963 -26.173 1.00 73.54 C ATOM 165 C ILE A 11 -7.134 -2.202 -27.307 1.00 52.33 C ATOM 166 O ILE A 11 -5.989 -2.578 -27.062 1.00 12.22 O ATOM 167 CB ILE A 11 -7.610 -1.033 -25.078 1.00 3.33 C ATOM 168 CG1 ILE A 11 -8.253 -1.358 -23.728 1.00 62.31 C ATOM 169 CG2 ILE A 11 -7.803 0.434 -25.466 1.00 15.51 C ATOM 170 CD1 ILE A 11 -8.111 -0.186 -22.756 1.00 3.51 C ATOM 0 H ILE A 11 -7.863 -3.644 -24.952 1.00 23.40 H new ATOM 0 HA ILE A 11 -8.993 -1.453 -26.607 1.00 73.54 H new ATOM 0 HB ILE A 11 -6.538 -1.200 -24.972 1.00 3.33 H new ATOM 0 HG12 ILE A 11 -9.308 -1.591 -23.871 1.00 62.31 H new ATOM 0 HG13 ILE A 11 -7.785 -2.246 -23.303 1.00 62.31 H new ATOM 0 HG21 ILE A 11 -7.423 1.074 -24.670 1.00 15.51 H new ATOM 0 HG22 ILE A 11 -7.260 0.641 -26.388 1.00 15.51 H new ATOM 0 HG23 ILE A 11 -8.864 0.634 -25.617 1.00 15.51 H new ATOM 0 HD11 ILE A 11 -8.577 -0.444 -21.805 1.00 3.51 H new ATOM 0 HD12 ILE A 11 -7.054 0.028 -22.597 1.00 3.51 H new ATOM 0 HD13 ILE A 11 -8.601 0.694 -23.173 1.00 3.51 H new ATOM 182 N PRO A 12 -7.616 -1.967 -28.557 1.00 54.21 N ATOM 183 CA PRO A 12 -6.779 -2.152 -29.730 1.00 5.24 C ATOM 184 C PRO A 12 -5.768 -1.011 -29.867 1.00 55.23 C ATOM 185 O PRO A 12 -5.828 -0.032 -29.125 1.00 45.31 O ATOM 186 CB PRO A 12 -7.748 -2.231 -30.897 1.00 71.14 C ATOM 187 CG PRO A 12 -9.050 -1.626 -30.400 1.00 15.52 C ATOM 188 CD PRO A 12 -8.967 -1.521 -28.886 1.00 11.52 C ATOM 0 HA PRO A 12 -6.170 -3.055 -29.675 1.00 5.24 H new ATOM 0 HB2 PRO A 12 -7.367 -1.683 -31.759 1.00 71.14 H new ATOM 0 HB3 PRO A 12 -7.893 -3.264 -31.215 1.00 71.14 H new ATOM 0 HG2 PRO A 12 -9.207 -0.643 -30.843 1.00 15.52 H new ATOM 0 HG3 PRO A 12 -9.896 -2.247 -30.694 1.00 15.52 H new ATOM 0 HD2 PRO A 12 -9.139 -0.499 -28.550 1.00 11.52 H new ATOM 0 HD3 PRO A 12 -9.719 -2.146 -28.404 1.00 11.52 H new ATOM 196 N ILE A 13 -4.865 -1.175 -30.822 1.00 71.14 N ATOM 197 CA ILE A 13 -3.844 -0.171 -31.067 1.00 64.01 C ATOM 198 C ILE A 13 -4.501 1.094 -31.623 1.00 62.22 C ATOM 199 O ILE A 13 -5.584 1.031 -32.203 1.00 11.44 O ATOM 200 CB ILE A 13 -2.741 -0.736 -31.964 1.00 63.33 C ATOM 201 CG1 ILE A 13 -1.645 0.304 -32.208 1.00 30.45 C ATOM 202 CG2 ILE A 13 -3.321 -1.275 -33.274 1.00 10.54 C ATOM 203 CD1 ILE A 13 -0.343 -0.366 -32.652 1.00 2.42 C ATOM 0 H ILE A 13 -4.819 -1.988 -31.436 1.00 71.14 H new ATOM 0 HA ILE A 13 -3.353 0.108 -30.135 1.00 64.01 H new ATOM 0 HB ILE A 13 -2.278 -1.576 -31.447 1.00 63.33 H new ATOM 0 HG12 ILE A 13 -1.973 1.011 -32.970 1.00 30.45 H new ATOM 0 HG13 ILE A 13 -1.472 0.876 -31.296 1.00 30.45 H new ATOM 0 HG21 ILE A 13 -2.516 -1.671 -33.893 1.00 10.54 H new ATOM 0 HG22 ILE A 13 -4.035 -2.069 -33.056 1.00 10.54 H new ATOM 0 HG23 ILE A 13 -3.826 -0.469 -33.807 1.00 10.54 H new ATOM 0 HD11 ILE A 13 0.419 0.395 -32.819 1.00 2.42 H new ATOM 0 HD12 ILE A 13 -0.005 -1.054 -31.877 1.00 2.42 H new ATOM 0 HD13 ILE A 13 -0.514 -0.917 -33.577 1.00 2.42 H new ATOM 215 N ASN A 14 -3.818 2.212 -31.427 1.00 41.14 N ATOM 216 CA ASN A 14 -4.322 3.490 -31.902 1.00 62.41 C ATOM 217 C ASN A 14 -5.831 3.559 -31.662 1.00 73.53 C ATOM 218 O ASN A 14 -6.596 3.855 -32.579 1.00 11.11 O ATOM 219 CB ASN A 14 -4.073 3.657 -33.402 1.00 73.55 C ATOM 220 CG ASN A 14 -2.602 3.415 -33.745 1.00 2.12 C ATOM 221 OD1 ASN A 14 -1.729 3.426 -32.892 1.00 13.10 O ATOM 222 ND2 ASN A 14 -2.376 3.197 -35.037 1.00 43.11 N ATOM 0 H ASN A 14 -2.920 2.260 -30.946 1.00 41.14 H new ATOM 0 HA ASN A 14 -3.802 4.280 -31.360 1.00 62.41 H new ATOM 0 HB2 ASN A 14 -4.699 2.959 -33.958 1.00 73.55 H new ATOM 0 HB3 ASN A 14 -4.362 4.661 -33.712 1.00 73.55 H new ATOM 0 HD21 ASN A 14 -1.426 3.025 -35.367 1.00 43.11 H new ATOM 0 HD22 ASN A 14 -3.152 3.201 -35.698 1.00 43.11 H new ATOM 229 N THR A 15 -6.215 3.279 -30.425 1.00 50.53 N ATOM 230 CA THR A 15 -7.619 3.306 -30.053 1.00 54.04 C ATOM 231 C THR A 15 -7.856 4.325 -28.937 1.00 53.22 C ATOM 232 O THR A 15 -7.280 4.213 -27.857 1.00 24.04 O ATOM 233 CB THR A 15 -8.035 1.883 -29.675 1.00 53.13 C ATOM 234 OG1 THR A 15 -7.951 1.160 -30.900 1.00 71.31 O ATOM 235 CG2 THR A 15 -9.512 1.788 -29.287 1.00 54.34 C ATOM 0 H THR A 15 -5.578 3.032 -29.668 1.00 50.53 H new ATOM 0 HA THR A 15 -8.242 3.632 -30.885 1.00 54.04 H new ATOM 0 HB THR A 15 -7.419 1.533 -28.847 1.00 53.13 H new ATOM 0 HG1 THR A 15 -7.013 1.086 -31.172 1.00 71.31 H new ATOM 0 HG21 THR A 15 -9.755 0.757 -29.028 1.00 54.34 H new ATOM 0 HG22 THR A 15 -9.705 2.433 -28.430 1.00 54.34 H new ATOM 0 HG23 THR A 15 -10.130 2.106 -30.127 1.00 54.34 H new ATOM 243 N ALA A 16 -8.706 5.297 -29.237 1.00 61.42 N ATOM 244 CA ALA A 16 -9.026 6.335 -28.273 1.00 12.04 C ATOM 245 C ALA A 16 -9.443 5.686 -26.951 1.00 4.51 C ATOM 246 O ALA A 16 -10.294 4.799 -26.932 1.00 31.10 O ATOM 247 CB ALA A 16 -10.115 7.245 -28.844 1.00 75.33 C ATOM 0 H ALA A 16 -9.182 5.387 -30.134 1.00 61.42 H new ATOM 0 HA ALA A 16 -8.153 6.957 -28.075 1.00 12.04 H new ATOM 0 HB1 ALA A 16 -10.355 8.024 -28.120 1.00 75.33 H new ATOM 0 HB2 ALA A 16 -9.759 7.704 -29.766 1.00 75.33 H new ATOM 0 HB3 ALA A 16 -11.008 6.656 -29.053 1.00 75.33 H new ATOM 253 N LEU A 17 -8.823 6.155 -25.878 1.00 21.24 N ATOM 254 CA LEU A 17 -9.118 5.632 -24.555 1.00 35.53 C ATOM 255 C LEU A 17 -10.323 6.376 -23.974 1.00 25.21 C ATOM 256 O LEU A 17 -10.448 7.588 -24.142 1.00 61.33 O ATOM 257 CB LEU A 17 -7.874 5.687 -23.666 1.00 51.12 C ATOM 258 CG LEU A 17 -6.708 4.792 -24.089 1.00 65.10 C ATOM 259 CD1 LEU A 17 -5.436 5.146 -23.315 1.00 52.02 C ATOM 260 CD2 LEU A 17 -7.072 3.313 -23.947 1.00 21.33 C ATOM 0 H LEU A 17 -8.118 6.891 -25.898 1.00 21.24 H new ATOM 0 HA LEU A 17 -9.391 4.579 -24.615 1.00 35.53 H new ATOM 0 HB2 LEU A 17 -7.521 6.718 -23.632 1.00 51.12 H new ATOM 0 HB3 LEU A 17 -8.165 5.416 -22.651 1.00 51.12 H new ATOM 0 HG LEU A 17 -6.504 4.973 -25.144 1.00 65.10 H new ATOM 0 HD11 LEU A 17 -4.622 4.495 -23.635 1.00 52.02 H new ATOM 0 HD12 LEU A 17 -5.168 6.184 -23.511 1.00 52.02 H new ATOM 0 HD13 LEU A 17 -5.610 5.011 -22.247 1.00 52.02 H new ATOM 0 HD21 LEU A 17 -6.226 2.699 -24.254 1.00 21.33 H new ATOM 0 HD22 LEU A 17 -7.318 3.097 -22.907 1.00 21.33 H new ATOM 0 HD23 LEU A 17 -7.932 3.088 -24.578 1.00 21.33 H new ATOM 272 N THR A 18 -11.178 5.619 -23.302 1.00 43.02 N ATOM 273 CA THR A 18 -12.367 6.192 -22.696 1.00 34.35 C ATOM 274 C THR A 18 -12.449 5.809 -21.216 1.00 44.34 C ATOM 275 O THR A 18 -11.643 5.017 -20.731 1.00 64.23 O ATOM 276 CB THR A 18 -13.580 5.734 -23.509 1.00 2.21 C ATOM 277 OG1 THR A 18 -13.361 4.340 -23.704 1.00 64.14 O ATOM 278 CG2 THR A 18 -13.587 6.313 -24.925 1.00 63.54 C ATOM 0 H THR A 18 -11.071 4.614 -23.164 1.00 43.02 H new ATOM 0 HA THR A 18 -12.335 7.281 -22.717 1.00 34.35 H new ATOM 0 HB THR A 18 -14.495 6.026 -22.993 1.00 2.21 H new ATOM 0 HG1 THR A 18 -13.988 3.830 -23.150 1.00 64.14 H new ATOM 0 HG21 THR A 18 -14.468 5.957 -25.459 1.00 63.54 H new ATOM 0 HG22 THR A 18 -13.609 7.402 -24.873 1.00 63.54 H new ATOM 0 HG23 THR A 18 -12.689 5.993 -25.453 1.00 63.54 H new ATOM 286 N VAL A 19 -13.429 6.390 -20.541 1.00 11.41 N ATOM 287 CA VAL A 19 -13.626 6.120 -19.127 1.00 11.42 C ATOM 288 C VAL A 19 -14.350 4.782 -18.963 1.00 44.25 C ATOM 289 O VAL A 19 -14.394 4.226 -17.867 1.00 43.12 O ATOM 290 CB VAL A 19 -14.369 7.286 -18.470 1.00 71.31 C ATOM 291 CG1 VAL A 19 -15.884 7.088 -18.556 1.00 42.31 C ATOM 292 CG2 VAL A 19 -13.922 7.473 -17.019 1.00 62.10 C ATOM 0 H VAL A 19 -14.096 7.047 -20.947 1.00 11.41 H new ATOM 0 HA VAL A 19 -12.666 6.035 -18.618 1.00 11.42 H new ATOM 0 HB VAL A 19 -14.118 8.195 -19.017 1.00 71.31 H new ATOM 0 HG11 VAL A 19 -16.388 7.930 -18.082 1.00 42.31 H new ATOM 0 HG12 VAL A 19 -16.184 7.027 -19.602 1.00 42.31 H new ATOM 0 HG13 VAL A 19 -16.160 6.165 -18.045 1.00 42.31 H new ATOM 0 HG21 VAL A 19 -14.465 8.308 -16.576 1.00 62.10 H new ATOM 0 HG22 VAL A 19 -14.130 6.564 -16.454 1.00 62.10 H new ATOM 0 HG23 VAL A 19 -12.852 7.681 -16.992 1.00 62.10 H new ATOM 302 N GLY A 20 -14.899 4.304 -20.070 1.00 62.13 N ATOM 303 CA GLY A 20 -15.618 3.041 -20.064 1.00 10.44 C ATOM 304 C GLY A 20 -14.777 1.928 -20.691 1.00 70.21 C ATOM 305 O GLY A 20 -15.282 0.838 -20.956 1.00 21.11 O ATOM 0 H GLY A 20 -14.860 4.769 -20.977 1.00 62.13 H new ATOM 0 HA2 GLY A 20 -15.879 2.772 -19.040 1.00 10.44 H new ATOM 0 HA3 GLY A 20 -16.553 3.148 -20.613 1.00 10.44 H new ATOM 309 N MET A 21 -13.508 2.240 -20.911 1.00 14.41 N ATOM 310 CA MET A 21 -12.593 1.280 -21.502 1.00 64.23 C ATOM 311 C MET A 21 -11.495 0.887 -20.511 1.00 72.53 C ATOM 312 O MET A 21 -11.002 -0.240 -20.541 1.00 3.21 O ATOM 313 CB MET A 21 -11.956 1.885 -22.755 1.00 53.40 C ATOM 314 CG MET A 21 -12.703 1.446 -24.016 1.00 40.12 C ATOM 315 SD MET A 21 -11.539 1.082 -25.319 1.00 62.22 S ATOM 316 CE MET A 21 -10.458 2.495 -25.173 1.00 60.23 C ATOM 0 H MET A 21 -13.092 3.145 -20.690 1.00 14.41 H new ATOM 0 HA MET A 21 -13.156 0.385 -21.766 1.00 64.23 H new ATOM 0 HB2 MET A 21 -11.965 2.973 -22.683 1.00 53.40 H new ATOM 0 HB3 MET A 21 -10.912 1.578 -22.821 1.00 53.40 H new ATOM 0 HG2 MET A 21 -13.309 0.566 -23.802 1.00 40.12 H new ATOM 0 HG3 MET A 21 -13.386 2.233 -24.337 1.00 40.12 H new ATOM 0 HE1 MET A 21 -9.876 2.604 -26.088 1.00 60.23 H new ATOM 0 HE2 MET A 21 -11.054 3.394 -25.013 1.00 60.23 H new ATOM 0 HE3 MET A 21 -9.783 2.351 -24.329 1.00 60.23 H new ATOM 326 N MET A 22 -11.145 1.837 -19.657 1.00 35.21 N ATOM 327 CA MET A 22 -10.116 1.604 -18.659 1.00 24.23 C ATOM 328 C MET A 22 -10.735 1.291 -17.295 1.00 24.30 C ATOM 329 O MET A 22 -11.950 1.374 -17.127 1.00 73.12 O ATOM 330 CB MET A 22 -9.226 2.844 -18.543 1.00 74.54 C ATOM 331 CG MET A 22 -8.420 3.061 -19.825 1.00 65.41 C ATOM 332 SD MET A 22 -7.694 4.692 -19.821 1.00 73.41 S ATOM 333 CE MET A 22 -9.142 5.675 -20.173 1.00 45.34 C ATOM 0 H MET A 22 -11.556 2.770 -19.636 1.00 35.21 H new ATOM 0 HA MET A 22 -9.521 0.746 -18.972 1.00 24.23 H new ATOM 0 HB2 MET A 22 -9.842 3.721 -18.343 1.00 74.54 H new ATOM 0 HB3 MET A 22 -8.548 2.732 -17.697 1.00 74.54 H new ATOM 0 HG2 MET A 22 -7.638 2.306 -19.905 1.00 65.41 H new ATOM 0 HG3 MET A 22 -9.066 2.944 -20.695 1.00 65.41 H new ATOM 0 HE1 MET A 22 -8.843 6.702 -20.382 1.00 45.34 H new ATOM 0 HE2 MET A 22 -9.659 5.264 -21.040 1.00 45.34 H new ATOM 0 HE3 MET A 22 -9.810 5.660 -19.312 1.00 45.34 H new ATOM 343 N THR A 23 -9.870 0.937 -16.355 1.00 61.05 N ATOM 344 CA THR A 23 -10.317 0.611 -15.012 1.00 25.03 C ATOM 345 C THR A 23 -9.142 0.659 -14.033 1.00 3.20 C ATOM 346 O THR A 23 -7.987 0.749 -14.447 1.00 70.24 O ATOM 347 CB THR A 23 -11.010 -0.752 -15.062 1.00 13.33 C ATOM 348 OG1 THR A 23 -11.646 -0.865 -13.791 1.00 43.43 O ATOM 349 CG2 THR A 23 -10.016 -1.914 -15.086 1.00 31.54 C ATOM 0 H THR A 23 -8.862 0.869 -16.498 1.00 61.05 H new ATOM 0 HA THR A 23 -11.036 1.344 -14.646 1.00 25.03 H new ATOM 0 HB THR A 23 -11.648 -0.802 -15.944 1.00 13.33 H new ATOM 0 HG1 THR A 23 -12.121 -1.720 -13.738 1.00 43.43 H new ATOM 0 HG21 THR A 23 -10.560 -2.858 -15.121 1.00 31.54 H new ATOM 0 HG22 THR A 23 -9.379 -1.829 -15.966 1.00 31.54 H new ATOM 0 HG23 THR A 23 -9.400 -1.884 -14.188 1.00 31.54 H new ATOM 357 N THR A 24 -9.477 0.598 -12.753 1.00 22.44 N ATOM 358 CA THR A 24 -8.464 0.633 -11.711 1.00 41.14 C ATOM 359 C THR A 24 -8.405 -0.709 -10.979 1.00 44.02 C ATOM 360 O THR A 24 -9.421 -1.198 -10.488 1.00 2.52 O ATOM 361 CB THR A 24 -8.774 1.815 -10.790 1.00 60.42 C ATOM 362 OG1 THR A 24 -10.064 1.516 -10.265 1.00 34.22 O ATOM 363 CG2 THR A 24 -8.979 3.120 -11.561 1.00 41.23 C ATOM 0 H THR A 24 -10.436 0.525 -12.413 1.00 22.44 H new ATOM 0 HA THR A 24 -7.469 0.782 -12.131 1.00 41.14 H new ATOM 0 HB THR A 24 -7.962 1.940 -10.074 1.00 60.42 H new ATOM 0 HG1 THR A 24 -10.165 0.545 -10.178 1.00 34.22 H new ATOM 0 HG21 THR A 24 -9.196 3.926 -10.860 1.00 41.23 H new ATOM 0 HG22 THR A 24 -8.074 3.359 -12.120 1.00 41.23 H new ATOM 0 HG23 THR A 24 -9.813 3.006 -12.253 1.00 41.23 H new ATOM 371 N ARG A 25 -7.204 -1.267 -10.930 1.00 1.05 N ATOM 372 CA ARG A 25 -6.999 -2.543 -10.266 1.00 23.14 C ATOM 373 C ARG A 25 -5.568 -2.640 -9.733 1.00 65.43 C ATOM 374 O ARG A 25 -4.636 -2.127 -10.350 1.00 43.35 O ATOM 375 CB ARG A 25 -7.261 -3.709 -11.221 1.00 23.34 C ATOM 376 CG ARG A 25 -8.400 -4.592 -10.708 1.00 73.31 C ATOM 377 CD ARG A 25 -9.627 -4.486 -11.617 1.00 21.54 C ATOM 378 NE ARG A 25 -10.171 -5.835 -11.892 1.00 22.14 N ATOM 379 CZ ARG A 25 -11.449 -6.076 -12.254 1.00 64.35 C ATOM 380 NH1 ARG A 25 -12.326 -5.059 -12.389 1.00 72.44 N ATOM 381 NH2 ARG A 25 -11.827 -7.321 -12.475 1.00 70.53 N ATOM 0 H ARG A 25 -6.363 -0.859 -11.339 1.00 1.05 H new ATOM 0 HA ARG A 25 -7.704 -2.603 -9.437 1.00 23.14 H new ATOM 0 HB2 ARG A 25 -7.511 -3.325 -12.210 1.00 23.34 H new ATOM 0 HB3 ARG A 25 -6.355 -4.305 -11.330 1.00 23.34 H new ATOM 0 HG2 ARG A 25 -8.068 -5.629 -10.659 1.00 73.31 H new ATOM 0 HG3 ARG A 25 -8.667 -4.295 -9.694 1.00 73.31 H new ATOM 0 HD2 ARG A 25 -10.389 -3.867 -11.143 1.00 21.54 H new ATOM 0 HD3 ARG A 25 -9.356 -3.997 -12.552 1.00 21.54 H new ATOM 0 HE ARG A 25 -9.541 -6.632 -11.802 1.00 22.14 H new ATOM 0 HH11 ARG A 25 -12.025 -4.100 -12.217 1.00 72.44 H new ATOM 0 HH12 ARG A 25 -13.290 -5.250 -12.663 1.00 72.44 H new ATOM 0 HH21 ARG A 25 -11.157 -8.083 -12.372 1.00 70.53 H new ATOM 0 HH22 ARG A 25 -12.789 -7.521 -12.749 1.00 70.53 H new ATOM 394 N VAL A 26 -5.438 -3.303 -8.593 1.00 42.13 N ATOM 395 CA VAL A 26 -4.136 -3.474 -7.971 1.00 60.11 C ATOM 396 C VAL A 26 -3.387 -4.610 -8.670 1.00 61.41 C ATOM 397 O VAL A 26 -3.345 -5.732 -8.168 1.00 30.43 O ATOM 398 CB VAL A 26 -4.301 -3.703 -6.467 1.00 43.22 C ATOM 399 CG1 VAL A 26 -2.945 -3.682 -5.758 1.00 33.41 C ATOM 400 CG2 VAL A 26 -5.254 -2.673 -5.857 1.00 74.54 C ATOM 0 H VAL A 26 -6.213 -3.728 -8.084 1.00 42.13 H new ATOM 0 HA VAL A 26 -3.536 -2.571 -8.085 1.00 60.11 H new ATOM 0 HB VAL A 26 -4.739 -4.691 -6.324 1.00 43.22 H new ATOM 0 HG11 VAL A 26 -3.090 -3.847 -4.690 1.00 33.41 H new ATOM 0 HG12 VAL A 26 -2.310 -4.469 -6.164 1.00 33.41 H new ATOM 0 HG13 VAL A 26 -2.468 -2.715 -5.914 1.00 33.41 H new ATOM 0 HG21 VAL A 26 -5.354 -2.858 -4.787 1.00 74.54 H new ATOM 0 HG22 VAL A 26 -4.857 -1.671 -6.016 1.00 74.54 H new ATOM 0 HG23 VAL A 26 -6.231 -2.755 -6.332 1.00 74.54 H new ATOM 410 N VAL A 27 -2.814 -4.280 -9.818 1.00 61.42 N ATOM 411 CA VAL A 27 -2.069 -5.259 -10.591 1.00 64.33 C ATOM 412 C VAL A 27 -0.572 -4.968 -10.467 1.00 63.14 C ATOM 413 O VAL A 27 -0.178 -3.846 -10.154 1.00 1.32 O ATOM 414 CB VAL A 27 -2.559 -5.264 -12.041 1.00 23.53 C ATOM 415 CG1 VAL A 27 -4.087 -5.240 -12.103 1.00 12.33 C ATOM 416 CG2 VAL A 27 -1.959 -4.097 -12.826 1.00 41.34 C ATOM 0 H VAL A 27 -2.851 -3.348 -10.232 1.00 61.42 H new ATOM 0 HA VAL A 27 -2.239 -6.263 -10.201 1.00 64.33 H new ATOM 0 HB VAL A 27 -2.220 -6.189 -12.507 1.00 23.53 H new ATOM 0 HG11 VAL A 27 -4.409 -5.244 -13.144 1.00 12.33 H new ATOM 0 HG12 VAL A 27 -4.486 -6.119 -11.597 1.00 12.33 H new ATOM 0 HG13 VAL A 27 -4.457 -4.340 -11.612 1.00 12.33 H new ATOM 0 HG21 VAL A 27 -2.323 -4.124 -13.853 1.00 41.34 H new ATOM 0 HG22 VAL A 27 -2.253 -3.156 -12.361 1.00 41.34 H new ATOM 0 HG23 VAL A 27 -0.872 -4.178 -12.824 1.00 41.34 H new ATOM 426 N SER A 28 0.222 -5.998 -10.720 1.00 31.40 N ATOM 427 CA SER A 28 1.667 -5.867 -10.641 1.00 31.24 C ATOM 428 C SER A 28 2.311 -6.390 -11.926 1.00 61.21 C ATOM 429 O SER A 28 1.930 -7.445 -12.431 1.00 52.24 O ATOM 430 CB SER A 28 2.222 -6.615 -9.427 1.00 11.34 C ATOM 431 OG SER A 28 3.556 -6.219 -9.121 1.00 24.45 O ATOM 0 H SER A 28 -0.108 -6.927 -10.980 1.00 31.40 H new ATOM 0 HA SER A 28 1.909 -4.810 -10.525 1.00 31.24 H new ATOM 0 HB2 SER A 28 1.582 -6.431 -8.564 1.00 11.34 H new ATOM 0 HB3 SER A 28 2.197 -7.688 -9.619 1.00 11.34 H new ATOM 0 HG SER A 28 3.874 -6.717 -8.339 1.00 24.45 H new ATOM 437 N PRO A 29 3.302 -5.608 -12.431 1.00 65.24 N ATOM 438 CA PRO A 29 3.693 -4.374 -11.771 1.00 33.43 C ATOM 439 C PRO A 29 2.656 -3.274 -12.008 1.00 4.11 C ATOM 440 O PRO A 29 1.938 -3.297 -13.006 1.00 63.32 O ATOM 441 CB PRO A 29 5.059 -4.037 -12.343 1.00 45.44 C ATOM 442 CG PRO A 29 5.179 -4.832 -13.633 1.00 40.13 C ATOM 443 CD PRO A 29 4.075 -5.877 -13.641 1.00 4.15 C ATOM 0 HA PRO A 29 3.745 -4.475 -10.687 1.00 33.43 H new ATOM 0 HB2 PRO A 29 5.149 -2.968 -12.534 1.00 45.44 H new ATOM 0 HB3 PRO A 29 5.852 -4.304 -11.644 1.00 45.44 H new ATOM 0 HG2 PRO A 29 5.088 -4.174 -14.497 1.00 40.13 H new ATOM 0 HG3 PRO A 29 6.157 -5.309 -13.698 1.00 40.13 H new ATOM 0 HD2 PRO A 29 3.456 -5.792 -14.534 1.00 4.15 H new ATOM 0 HD3 PRO A 29 4.485 -6.887 -13.633 1.00 4.15 H new ATOM 451 N THR A 30 2.612 -2.336 -11.073 1.00 51.12 N ATOM 452 CA THR A 30 1.676 -1.229 -11.168 1.00 53.20 C ATOM 453 C THR A 30 2.095 -0.270 -12.284 1.00 2.33 C ATOM 454 O THR A 30 3.180 0.308 -12.236 1.00 24.54 O ATOM 455 CB THR A 30 1.591 -0.562 -9.794 1.00 20.24 C ATOM 456 OG1 THR A 30 2.902 -0.049 -9.575 1.00 64.40 O ATOM 457 CG2 THR A 30 1.393 -1.574 -8.663 1.00 64.11 C ATOM 0 H THR A 30 3.209 -2.320 -10.246 1.00 51.12 H new ATOM 0 HA THR A 30 0.679 -1.577 -11.439 1.00 53.20 H new ATOM 0 HB THR A 30 0.769 0.154 -9.789 1.00 20.24 H new ATOM 0 HG1 THR A 30 3.419 -0.107 -10.406 1.00 64.40 H new ATOM 0 HG21 THR A 30 1.339 -1.048 -7.710 1.00 64.11 H new ATOM 0 HG22 THR A 30 0.467 -2.125 -8.826 1.00 64.11 H new ATOM 0 HG23 THR A 30 2.232 -2.270 -8.647 1.00 64.11 H new ATOM 465 N GLY A 31 1.213 -0.129 -13.262 1.00 63.24 N ATOM 466 CA GLY A 31 1.479 0.750 -14.388 1.00 55.04 C ATOM 467 C GLY A 31 0.864 2.133 -14.161 1.00 74.53 C ATOM 468 O GLY A 31 0.834 2.625 -13.035 1.00 11.24 O ATOM 0 H GLY A 31 0.313 -0.609 -13.298 1.00 63.24 H new ATOM 0 HA2 GLY A 31 2.555 0.846 -14.533 1.00 55.04 H new ATOM 0 HA3 GLY A 31 1.072 0.312 -15.300 1.00 55.04 H new ATOM 472 N ILE A 32 0.388 2.719 -15.250 1.00 11.43 N ATOM 473 CA ILE A 32 -0.225 4.035 -15.183 1.00 44.45 C ATOM 474 C ILE A 32 -1.142 4.105 -13.961 1.00 54.03 C ATOM 475 O ILE A 32 -1.836 3.140 -13.646 1.00 34.21 O ATOM 476 CB ILE A 32 -0.929 4.366 -16.501 1.00 62.40 C ATOM 477 CG1 ILE A 32 0.072 4.431 -17.656 1.00 43.23 C ATOM 478 CG2 ILE A 32 -1.747 5.653 -16.378 1.00 31.52 C ATOM 479 CD1 ILE A 32 -0.649 4.470 -19.005 1.00 41.31 C ATOM 0 H ILE A 32 0.414 2.307 -16.183 1.00 11.43 H new ATOM 0 HA ILE A 32 0.537 4.804 -15.054 1.00 44.45 H new ATOM 0 HB ILE A 32 -1.628 3.561 -16.726 1.00 62.40 H new ATOM 0 HG12 ILE A 32 0.699 5.316 -17.549 1.00 43.23 H new ATOM 0 HG13 ILE A 32 0.733 3.565 -17.618 1.00 43.23 H new ATOM 0 HG21 ILE A 32 -2.237 5.865 -17.328 1.00 31.52 H new ATOM 0 HG22 ILE A 32 -2.501 5.532 -15.600 1.00 31.52 H new ATOM 0 HG23 ILE A 32 -1.087 6.480 -16.118 1.00 31.52 H new ATOM 0 HD11 ILE A 32 0.086 4.516 -19.809 1.00 41.31 H new ATOM 0 HD12 ILE A 32 -1.256 3.572 -19.119 1.00 41.31 H new ATOM 0 HD13 ILE A 32 -1.291 5.350 -19.049 1.00 41.31 H new ATOM 491 N PRO A 33 -1.116 5.287 -13.289 1.00 64.10 N ATOM 492 CA PRO A 33 -1.937 5.495 -12.108 1.00 44.25 C ATOM 493 C PRO A 33 -3.403 5.706 -12.491 1.00 11.14 C ATOM 494 O PRO A 33 -3.699 6.255 -13.551 1.00 72.51 O ATOM 495 CB PRO A 33 -1.325 6.700 -11.412 1.00 32.34 C ATOM 496 CG PRO A 33 -0.478 7.402 -12.460 1.00 52.41 C ATOM 497 CD PRO A 33 -0.306 6.452 -13.634 1.00 10.03 C ATOM 0 HA PRO A 33 -1.947 4.631 -11.444 1.00 44.25 H new ATOM 0 HB2 PRO A 33 -2.099 7.364 -11.027 1.00 32.34 H new ATOM 0 HB3 PRO A 33 -0.717 6.392 -10.561 1.00 32.34 H new ATOM 0 HG2 PRO A 33 -0.959 8.325 -12.783 1.00 52.41 H new ATOM 0 HG3 PRO A 33 0.492 7.676 -12.046 1.00 52.41 H new ATOM 0 HD2 PRO A 33 -0.644 6.908 -14.565 1.00 10.03 H new ATOM 0 HD3 PRO A 33 0.740 6.180 -13.773 1.00 10.03 H new ATOM 505 N ALA A 34 -4.282 5.260 -11.606 1.00 31.44 N ATOM 506 CA ALA A 34 -5.710 5.393 -11.837 1.00 34.32 C ATOM 507 C ALA A 34 -6.080 6.877 -11.875 1.00 34.21 C ATOM 508 O ALA A 34 -7.182 7.235 -12.289 1.00 44.24 O ATOM 509 CB ALA A 34 -6.476 4.628 -10.755 1.00 12.51 C ATOM 0 H ALA A 34 -4.033 4.806 -10.727 1.00 31.44 H new ATOM 0 HA ALA A 34 -5.985 4.960 -12.799 1.00 34.32 H new ATOM 0 HB1 ALA A 34 -7.547 4.728 -10.928 1.00 12.51 H new ATOM 0 HB2 ALA A 34 -6.199 3.574 -10.790 1.00 12.51 H new ATOM 0 HB3 ALA A 34 -6.227 5.036 -9.775 1.00 12.51 H new ATOM 515 N GLU A 35 -5.139 7.700 -11.437 1.00 32.12 N ATOM 516 CA GLU A 35 -5.352 9.137 -11.416 1.00 14.14 C ATOM 517 C GLU A 35 -5.145 9.725 -12.813 1.00 11.12 C ATOM 518 O GLU A 35 -5.453 10.892 -13.051 1.00 23.01 O ATOM 519 CB GLU A 35 -4.435 9.813 -10.395 1.00 24.52 C ATOM 520 CG GLU A 35 -2.997 9.885 -10.914 1.00 0.04 C ATOM 521 CD GLU A 35 -1.994 9.641 -9.785 1.00 23.35 C ATOM 522 OE1 GLU A 35 -0.943 10.298 -9.736 1.00 33.25 O ATOM 523 OE2 GLU A 35 -2.338 8.731 -8.937 1.00 2.12 O ATOM 0 H GLU A 35 -4.227 7.399 -11.094 1.00 32.12 H new ATOM 0 HA GLU A 35 -6.381 9.327 -11.112 1.00 14.14 H new ATOM 0 HB2 GLU A 35 -4.800 10.818 -10.182 1.00 24.52 H new ATOM 0 HB3 GLU A 35 -4.460 9.260 -9.456 1.00 24.52 H new ATOM 0 HG2 GLU A 35 -2.853 9.144 -11.700 1.00 0.04 H new ATOM 0 HG3 GLU A 35 -2.816 10.863 -11.361 1.00 0.04 H new ATOM 531 N ASP A 36 -4.625 8.890 -13.700 1.00 50.13 N ATOM 532 CA ASP A 36 -4.373 9.313 -15.068 1.00 31.45 C ATOM 533 C ASP A 36 -5.479 8.772 -15.976 1.00 12.12 C ATOM 534 O ASP A 36 -5.475 9.020 -17.181 1.00 4.04 O ATOM 535 CB ASP A 36 -3.036 8.768 -15.575 1.00 34.02 C ATOM 536 CG ASP A 36 -1.816 9.623 -15.227 1.00 20.51 C ATOM 537 OD1 ASP A 36 -0.784 9.572 -15.913 1.00 55.32 O ATOM 538 OD2 ASP A 36 -1.955 10.375 -14.188 1.00 73.40 O ATOM 0 H ASP A 36 -4.371 7.923 -13.499 1.00 50.13 H new ATOM 0 HA ASP A 36 -4.348 10.403 -15.085 1.00 31.45 H new ATOM 0 HB2 ASP A 36 -2.889 7.769 -15.165 1.00 34.02 H new ATOM 0 HB3 ASP A 36 -3.091 8.664 -16.659 1.00 34.02 H new ATOM 544 N ILE A 37 -6.401 8.043 -15.363 1.00 43.52 N ATOM 545 CA ILE A 37 -7.511 7.466 -16.102 1.00 21.35 C ATOM 546 C ILE A 37 -8.208 8.564 -16.907 1.00 73.31 C ATOM 547 O ILE A 37 -8.461 8.398 -18.099 1.00 53.24 O ATOM 548 CB ILE A 37 -8.446 6.708 -15.157 1.00 21.10 C ATOM 549 CG1 ILE A 37 -8.058 5.230 -15.071 1.00 14.22 C ATOM 550 CG2 ILE A 37 -9.908 6.894 -15.567 1.00 72.11 C ATOM 551 CD1 ILE A 37 -9.184 4.404 -14.446 1.00 31.31 C ATOM 0 H ILE A 37 -6.402 7.839 -14.364 1.00 43.52 H new ATOM 0 HA ILE A 37 -7.150 6.727 -16.817 1.00 21.35 H new ATOM 0 HB ILE A 37 -8.336 7.128 -14.157 1.00 21.10 H new ATOM 0 HG12 ILE A 37 -7.834 4.850 -16.068 1.00 14.22 H new ATOM 0 HG13 ILE A 37 -7.150 5.122 -14.477 1.00 14.22 H new ATOM 0 HG21 ILE A 37 -10.551 6.345 -14.879 1.00 72.11 H new ATOM 0 HG22 ILE A 37 -10.163 7.953 -15.535 1.00 72.11 H new ATOM 0 HG23 ILE A 37 -10.053 6.516 -16.579 1.00 72.11 H new ATOM 0 HD11 ILE A 37 -8.883 3.358 -14.396 1.00 31.31 H new ATOM 0 HD12 ILE A 37 -9.389 4.771 -13.440 1.00 31.31 H new ATOM 0 HD13 ILE A 37 -10.083 4.494 -15.056 1.00 31.31 H new ATOM 563 N PRO A 38 -8.507 9.690 -16.205 1.00 70.34 N ATOM 564 CA PRO A 38 -9.170 10.815 -16.842 1.00 72.34 C ATOM 565 C PRO A 38 -8.200 11.588 -17.737 1.00 41.24 C ATOM 566 O PRO A 38 -8.609 12.486 -18.473 1.00 21.44 O ATOM 567 CB PRO A 38 -9.716 11.650 -15.696 1.00 43.40 C ATOM 568 CG PRO A 38 -8.944 11.217 -14.460 1.00 73.41 C ATOM 569 CD PRO A 38 -8.222 9.921 -14.792 1.00 74.12 C ATOM 0 HA PRO A 38 -9.974 10.506 -17.510 1.00 72.34 H new ATOM 0 HB2 PRO A 38 -9.580 12.714 -15.889 1.00 43.40 H new ATOM 0 HB3 PRO A 38 -10.785 11.484 -15.567 1.00 43.40 H new ATOM 0 HG2 PRO A 38 -8.231 11.987 -14.166 1.00 73.41 H new ATOM 0 HG3 PRO A 38 -9.621 11.072 -13.618 1.00 73.41 H new ATOM 0 HD2 PRO A 38 -7.150 10.008 -14.613 1.00 74.12 H new ATOM 0 HD3 PRO A 38 -8.583 9.098 -14.175 1.00 74.12 H new ATOM 577 N ARG A 39 -6.933 11.212 -17.646 1.00 2.01 N ATOM 578 CA ARG A 39 -5.901 11.859 -18.438 1.00 41.13 C ATOM 579 C ARG A 39 -5.599 11.035 -19.692 1.00 12.03 C ATOM 580 O ARG A 39 -5.019 11.544 -20.649 1.00 5.51 O ATOM 581 CB ARG A 39 -4.614 12.034 -17.630 1.00 11.25 C ATOM 582 CG ARG A 39 -4.887 12.773 -16.318 1.00 33.34 C ATOM 583 CD ARG A 39 -3.596 12.975 -15.523 1.00 45.01 C ATOM 584 NE ARG A 39 -2.623 13.749 -16.327 1.00 20.24 N ATOM 585 CZ ARG A 39 -1.739 13.195 -17.184 1.00 10.32 C ATOM 586 NH1 ARG A 39 -1.698 11.857 -17.356 1.00 62.01 N ATOM 587 NH2 ARG A 39 -0.916 13.982 -17.851 1.00 5.32 N ATOM 0 H ARG A 39 -6.597 10.467 -17.035 1.00 2.01 H new ATOM 0 HA ARG A 39 -6.273 12.843 -18.725 1.00 41.13 H new ATOM 0 HB2 ARG A 39 -4.178 11.058 -17.418 1.00 11.25 H new ATOM 0 HB3 ARG A 39 -3.883 12.588 -18.219 1.00 11.25 H new ATOM 0 HG2 ARG A 39 -5.343 13.740 -16.529 1.00 33.34 H new ATOM 0 HG3 ARG A 39 -5.602 12.208 -15.720 1.00 33.34 H new ATOM 0 HD2 ARG A 39 -3.811 13.500 -14.592 1.00 45.01 H new ATOM 0 HD3 ARG A 39 -3.170 12.009 -15.253 1.00 45.01 H new ATOM 0 HE ARG A 39 -2.620 14.764 -16.227 1.00 20.24 H new ATOM 0 HH11 ARG A 39 -2.338 11.256 -16.837 1.00 62.01 H new ATOM 0 HH12 ARG A 39 -1.027 11.447 -18.005 1.00 62.01 H new ATOM 0 HH21 ARG A 39 -0.954 14.992 -17.715 1.00 5.32 H new ATOM 0 HH22 ARG A 39 -0.242 13.580 -18.502 1.00 5.32 H new ATOM 600 N LEU A 40 -6.007 9.775 -19.645 1.00 52.43 N ATOM 601 CA LEU A 40 -5.788 8.876 -20.765 1.00 62.12 C ATOM 602 C LEU A 40 -6.939 9.020 -21.763 1.00 3.51 C ATOM 603 O LEU A 40 -6.782 8.719 -22.945 1.00 43.11 O ATOM 604 CB LEU A 40 -5.580 7.443 -20.269 1.00 51.52 C ATOM 605 CG LEU A 40 -4.373 7.218 -19.357 1.00 64.00 C ATOM 606 CD1 LEU A 40 -4.608 6.032 -18.420 1.00 4.15 C ATOM 607 CD2 LEU A 40 -3.090 7.056 -20.175 1.00 41.33 C ATOM 0 H LEU A 40 -6.488 9.356 -18.849 1.00 52.43 H new ATOM 0 HA LEU A 40 -4.873 9.142 -21.293 1.00 62.12 H new ATOM 0 HB2 LEU A 40 -6.477 7.131 -19.735 1.00 51.52 H new ATOM 0 HB3 LEU A 40 -5.482 6.790 -21.136 1.00 51.52 H new ATOM 0 HG LEU A 40 -4.247 8.102 -18.733 1.00 64.00 H new ATOM 0 HD11 LEU A 40 -3.735 5.894 -17.782 1.00 4.15 H new ATOM 0 HD12 LEU A 40 -5.483 6.226 -17.800 1.00 4.15 H new ATOM 0 HD13 LEU A 40 -4.774 5.130 -19.009 1.00 4.15 H new ATOM 0 HD21 LEU A 40 -2.247 6.897 -19.502 1.00 41.33 H new ATOM 0 HD22 LEU A 40 -3.189 6.199 -20.841 1.00 41.33 H new ATOM 0 HD23 LEU A 40 -2.919 7.956 -20.765 1.00 41.33 H new ATOM 619 N ILE A 41 -8.070 9.482 -21.250 1.00 21.42 N ATOM 620 CA ILE A 41 -9.247 9.670 -22.081 1.00 63.21 C ATOM 621 C ILE A 41 -8.896 10.589 -23.253 1.00 34.10 C ATOM 622 O ILE A 41 -8.225 11.603 -23.072 1.00 2.33 O ATOM 623 CB ILE A 41 -10.423 10.168 -21.239 1.00 72.02 C ATOM 624 CG1 ILE A 41 -10.645 9.269 -20.021 1.00 11.20 C ATOM 625 CG2 ILE A 41 -11.688 10.303 -22.090 1.00 2.02 C ATOM 626 CD1 ILE A 41 -12.086 9.375 -19.517 1.00 22.21 C ATOM 0 H ILE A 41 -8.196 9.732 -20.269 1.00 21.42 H new ATOM 0 HA ILE A 41 -9.570 8.720 -22.506 1.00 63.21 H new ATOM 0 HB ILE A 41 -10.179 11.162 -20.865 1.00 72.02 H new ATOM 0 HG12 ILE A 41 -10.423 8.235 -20.283 1.00 11.20 H new ATOM 0 HG13 ILE A 41 -9.956 9.552 -19.225 1.00 11.20 H new ATOM 0 HG21 ILE A 41 -12.509 10.659 -21.467 1.00 2.02 H new ATOM 0 HG22 ILE A 41 -11.510 11.014 -22.897 1.00 2.02 H new ATOM 0 HG23 ILE A 41 -11.947 9.332 -22.513 1.00 2.02 H new ATOM 0 HD11 ILE A 41 -12.217 8.726 -18.651 1.00 22.21 H new ATOM 0 HD12 ILE A 41 -12.297 10.406 -19.233 1.00 22.21 H new ATOM 0 HD13 ILE A 41 -12.771 9.068 -20.307 1.00 22.21 H new ATOM 638 N SER A 42 -9.367 10.201 -24.429 1.00 72.10 N ATOM 639 CA SER A 42 -9.112 10.977 -25.630 1.00 51.35 C ATOM 640 C SER A 42 -7.755 10.593 -26.223 1.00 40.15 C ATOM 641 O SER A 42 -7.433 10.978 -27.346 1.00 43.23 O ATOM 642 CB SER A 42 -9.157 12.478 -25.336 1.00 50.02 C ATOM 643 OG SER A 42 -9.588 13.231 -26.467 1.00 4.11 O ATOM 0 H SER A 42 -9.924 9.359 -24.575 1.00 72.10 H new ATOM 0 HA SER A 42 -9.895 10.752 -26.355 1.00 51.35 H new ATOM 0 HB2 SER A 42 -9.830 12.663 -24.499 1.00 50.02 H new ATOM 0 HB3 SER A 42 -8.167 12.817 -25.030 1.00 50.02 H new ATOM 0 HG SER A 42 -9.605 14.184 -26.238 1.00 4.11 H new ATOM 649 N MET A 43 -6.996 9.839 -25.442 1.00 71.54 N ATOM 650 CA MET A 43 -5.681 9.398 -25.876 1.00 72.11 C ATOM 651 C MET A 43 -5.734 7.971 -26.425 1.00 35.43 C ATOM 652 O MET A 43 -6.348 7.092 -25.821 1.00 0.13 O ATOM 653 CB MET A 43 -4.708 9.456 -24.697 1.00 35.35 C ATOM 654 CG MET A 43 -4.890 10.749 -23.899 1.00 33.42 C ATOM 655 SD MET A 43 -3.316 11.301 -23.264 1.00 31.20 S ATOM 656 CE MET A 43 -2.609 9.734 -22.782 1.00 53.04 C ATOM 0 H MET A 43 -7.266 9.522 -24.511 1.00 71.54 H new ATOM 0 HA MET A 43 -5.341 10.061 -26.672 1.00 72.11 H new ATOM 0 HB2 MET A 43 -4.869 8.597 -24.046 1.00 35.35 H new ATOM 0 HB3 MET A 43 -3.683 9.391 -25.063 1.00 35.35 H new ATOM 0 HG2 MET A 43 -5.326 11.520 -24.535 1.00 33.42 H new ATOM 0 HG3 MET A 43 -5.586 10.583 -23.076 1.00 33.42 H new ATOM 0 HE1 MET A 43 -2.066 9.853 -21.845 1.00 53.04 H new ATOM 0 HE2 MET A 43 -3.405 9.001 -22.650 1.00 53.04 H new ATOM 0 HE3 MET A 43 -1.924 9.390 -23.557 1.00 53.04 H new ATOM 666 N GLN A 44 -5.083 7.784 -27.563 1.00 75.24 N ATOM 667 CA GLN A 44 -5.049 6.478 -28.200 1.00 50.12 C ATOM 668 C GLN A 44 -3.798 5.710 -27.769 1.00 33.25 C ATOM 669 O GLN A 44 -2.762 6.311 -27.489 1.00 61.33 O ATOM 670 CB GLN A 44 -5.114 6.609 -29.723 1.00 44.02 C ATOM 671 CG GLN A 44 -6.288 7.493 -30.148 1.00 61.13 C ATOM 672 CD GLN A 44 -6.227 7.803 -31.645 1.00 70.24 C ATOM 673 OE1 GLN A 44 -5.921 8.907 -32.065 1.00 65.41 O ATOM 674 NE2 GLN A 44 -6.535 6.770 -32.425 1.00 31.04 N ATOM 0 H GLN A 44 -4.575 8.515 -28.061 1.00 75.24 H new ATOM 0 HA GLN A 44 -5.926 5.916 -27.879 1.00 50.12 H new ATOM 0 HB2 GLN A 44 -4.181 7.033 -30.095 1.00 44.02 H new ATOM 0 HB3 GLN A 44 -5.217 5.621 -30.172 1.00 44.02 H new ATOM 0 HG2 GLN A 44 -7.228 6.993 -29.915 1.00 61.13 H new ATOM 0 HG3 GLN A 44 -6.272 8.423 -29.579 1.00 61.13 H new ATOM 0 HE21 GLN A 44 -6.782 5.872 -32.008 1.00 31.04 H new ATOM 0 HE22 GLN A 44 -6.524 6.876 -33.439 1.00 31.04 H new ATOM 683 N VAL A 45 -3.937 4.393 -27.727 1.00 65.23 N ATOM 684 CA VAL A 45 -2.831 3.536 -27.334 1.00 44.23 C ATOM 685 C VAL A 45 -1.924 3.295 -28.543 1.00 21.52 C ATOM 686 O VAL A 45 -2.368 3.392 -29.686 1.00 1.02 O ATOM 687 CB VAL A 45 -3.365 2.241 -26.719 1.00 42.02 C ATOM 688 CG1 VAL A 45 -3.934 2.492 -25.321 1.00 63.13 C ATOM 689 CG2 VAL A 45 -4.410 1.593 -27.629 1.00 35.23 C ATOM 0 H VAL A 45 -4.799 3.898 -27.959 1.00 65.23 H new ATOM 0 HA VAL A 45 -2.227 4.019 -26.566 1.00 44.23 H new ATOM 0 HB VAL A 45 -2.530 1.547 -26.621 1.00 42.02 H new ATOM 0 HG11 VAL A 45 -4.307 1.555 -24.906 1.00 63.13 H new ATOM 0 HG12 VAL A 45 -3.151 2.888 -24.675 1.00 63.13 H new ATOM 0 HG13 VAL A 45 -4.751 3.211 -25.384 1.00 63.13 H new ATOM 0 HG21 VAL A 45 -4.774 0.674 -27.169 1.00 35.23 H new ATOM 0 HG22 VAL A 45 -5.243 2.281 -27.774 1.00 35.23 H new ATOM 0 HG23 VAL A 45 -3.959 1.362 -28.594 1.00 35.23 H new ATOM 699 N ASN A 46 -0.670 2.984 -28.249 1.00 20.12 N ATOM 700 CA ASN A 46 0.303 2.728 -29.297 1.00 60.41 C ATOM 701 C ASN A 46 0.592 1.227 -29.363 1.00 31.51 C ATOM 702 O ASN A 46 1.708 0.819 -29.680 1.00 24.14 O ATOM 703 CB ASN A 46 1.621 3.451 -29.014 1.00 22.32 C ATOM 704 CG ASN A 46 2.284 2.907 -27.747 1.00 32.44 C ATOM 705 OD1 ASN A 46 2.528 1.720 -27.603 1.00 73.20 O ATOM 706 ND2 ASN A 46 2.560 3.838 -26.838 1.00 63.22 N ATOM 0 H ASN A 46 -0.305 2.904 -27.300 1.00 20.12 H new ATOM 0 HA ASN A 46 -0.112 3.090 -30.238 1.00 60.41 H new ATOM 0 HB2 ASN A 46 2.295 3.331 -29.862 1.00 22.32 H new ATOM 0 HB3 ASN A 46 1.437 4.520 -28.902 1.00 22.32 H new ATOM 0 HD21 ASN A 46 3.002 3.575 -25.957 1.00 63.22 H new ATOM 0 HD22 ASN A 46 2.329 4.814 -27.022 1.00 63.22 H new ATOM 713 N GLN A 47 -0.434 0.445 -29.059 1.00 1.15 N ATOM 714 CA GLN A 47 -0.304 -1.002 -29.079 1.00 52.01 C ATOM 715 C GLN A 47 -1.640 -1.660 -28.729 1.00 15.34 C ATOM 716 O GLN A 47 -2.483 -1.050 -28.072 1.00 10.01 O ATOM 717 CB GLN A 47 0.801 -1.467 -28.129 1.00 45.04 C ATOM 718 CG GLN A 47 0.642 -2.949 -27.786 1.00 35.25 C ATOM 719 CD GLN A 47 1.832 -3.454 -26.968 1.00 63.00 C ATOM 720 OE1 GLN A 47 2.415 -4.490 -27.246 1.00 15.44 O ATOM 721 NE2 GLN A 47 2.160 -2.667 -25.947 1.00 44.24 N ATOM 0 H GLN A 47 -1.359 0.786 -28.797 1.00 1.15 H new ATOM 0 HA GLN A 47 -0.023 -1.308 -30.087 1.00 52.01 H new ATOM 0 HB2 GLN A 47 1.775 -1.299 -28.589 1.00 45.04 H new ATOM 0 HB3 GLN A 47 0.773 -0.874 -27.215 1.00 45.04 H new ATOM 0 HG2 GLN A 47 -0.280 -3.099 -27.224 1.00 35.25 H new ATOM 0 HG3 GLN A 47 0.554 -3.531 -28.704 1.00 35.25 H new ATOM 0 HE21 GLN A 47 1.630 -1.814 -25.770 1.00 44.24 H new ATOM 0 HE22 GLN A 47 2.941 -2.917 -25.341 1.00 44.24 H new ATOM 730 N VAL A 48 -1.793 -2.895 -29.182 1.00 64.14 N ATOM 731 CA VAL A 48 -3.012 -3.642 -28.925 1.00 30.11 C ATOM 732 C VAL A 48 -3.003 -4.142 -27.479 1.00 12.11 C ATOM 733 O VAL A 48 -2.411 -5.178 -27.180 1.00 1.30 O ATOM 734 CB VAL A 48 -3.160 -4.771 -29.947 1.00 23.22 C ATOM 735 CG1 VAL A 48 -4.034 -5.899 -29.395 1.00 54.24 C ATOM 736 CG2 VAL A 48 -3.716 -4.243 -31.271 1.00 22.22 C ATOM 0 H VAL A 48 -1.092 -3.398 -29.726 1.00 64.14 H new ATOM 0 HA VAL A 48 -3.885 -3.000 -29.042 1.00 30.11 H new ATOM 0 HB VAL A 48 -2.168 -5.180 -30.140 1.00 23.22 H new ATOM 0 HG11 VAL A 48 -4.123 -6.689 -30.141 1.00 54.24 H new ATOM 0 HG12 VAL A 48 -3.578 -6.303 -28.491 1.00 54.24 H new ATOM 0 HG13 VAL A 48 -5.024 -5.510 -29.159 1.00 54.24 H new ATOM 0 HG21 VAL A 48 -3.811 -5.066 -31.980 1.00 22.22 H new ATOM 0 HG22 VAL A 48 -4.695 -3.795 -31.102 1.00 22.22 H new ATOM 0 HG23 VAL A 48 -3.038 -3.492 -31.676 1.00 22.22 H new ATOM 746 N VAL A 49 -3.667 -3.382 -26.620 1.00 21.41 N ATOM 747 CA VAL A 49 -3.743 -3.735 -25.212 1.00 61.24 C ATOM 748 C VAL A 49 -5.033 -4.517 -24.956 1.00 0.31 C ATOM 749 O VAL A 49 -6.129 -3.985 -25.123 1.00 51.52 O ATOM 750 CB VAL A 49 -3.625 -2.477 -24.350 1.00 41.43 C ATOM 751 CG1 VAL A 49 -3.755 -2.816 -22.864 1.00 55.11 C ATOM 752 CG2 VAL A 49 -2.314 -1.740 -24.632 1.00 24.34 C ATOM 0 H VAL A 49 -4.157 -2.524 -26.872 1.00 21.41 H new ATOM 0 HA VAL A 49 -2.910 -4.382 -24.935 1.00 61.24 H new ATOM 0 HB VAL A 49 -4.447 -1.812 -24.615 1.00 41.43 H new ATOM 0 HG11 VAL A 49 -3.667 -1.904 -22.274 1.00 55.11 H new ATOM 0 HG12 VAL A 49 -4.726 -3.276 -22.679 1.00 55.11 H new ATOM 0 HG13 VAL A 49 -2.964 -3.510 -22.579 1.00 55.11 H new ATOM 0 HG21 VAL A 49 -2.255 -0.850 -24.006 1.00 24.34 H new ATOM 0 HG22 VAL A 49 -1.473 -2.396 -24.409 1.00 24.34 H new ATOM 0 HG23 VAL A 49 -2.279 -1.449 -25.682 1.00 24.34 H new ATOM 762 N PRO A 50 -4.855 -5.800 -24.543 1.00 61.32 N ATOM 763 CA PRO A 50 -5.992 -6.661 -24.262 1.00 4.50 C ATOM 764 C PRO A 50 -6.646 -6.287 -22.930 1.00 51.35 C ATOM 765 O PRO A 50 -6.042 -5.597 -22.110 1.00 34.31 O ATOM 766 CB PRO A 50 -5.428 -8.072 -24.271 1.00 74.34 C ATOM 767 CG PRO A 50 -3.926 -7.923 -24.095 1.00 50.14 C ATOM 768 CD PRO A 50 -3.572 -6.464 -24.334 1.00 65.31 C ATOM 0 HA PRO A 50 -6.789 -6.560 -24.999 1.00 4.50 H new ATOM 0 HB2 PRO A 50 -5.858 -8.669 -23.467 1.00 74.34 H new ATOM 0 HB3 PRO A 50 -5.663 -8.580 -25.206 1.00 74.34 H new ATOM 0 HG2 PRO A 50 -3.627 -8.229 -23.093 1.00 50.14 H new ATOM 0 HG3 PRO A 50 -3.394 -8.565 -24.797 1.00 50.14 H new ATOM 0 HD2 PRO A 50 -3.041 -6.041 -23.481 1.00 65.31 H new ATOM 0 HD3 PRO A 50 -2.922 -6.351 -25.202 1.00 65.31 H new ATOM 776 N MET A 51 -7.872 -6.758 -22.757 1.00 71.13 N ATOM 777 CA MET A 51 -8.615 -6.482 -21.539 1.00 60.14 C ATOM 778 C MET A 51 -7.957 -7.152 -20.332 1.00 24.23 C ATOM 779 O MET A 51 -7.851 -8.376 -20.278 1.00 22.53 O ATOM 780 CB MET A 51 -10.049 -6.994 -21.689 1.00 21.32 C ATOM 781 CG MET A 51 -10.846 -6.777 -20.401 1.00 24.23 C ATOM 782 SD MET A 51 -12.523 -7.347 -20.617 1.00 72.11 S ATOM 783 CE MET A 51 -12.238 -9.103 -20.760 1.00 30.43 C ATOM 0 H MET A 51 -8.370 -7.329 -23.440 1.00 71.13 H new ATOM 0 HA MET A 51 -8.620 -5.404 -21.375 1.00 60.14 H new ATOM 0 HB2 MET A 51 -10.539 -6.478 -22.515 1.00 21.32 H new ATOM 0 HB3 MET A 51 -10.036 -8.055 -21.938 1.00 21.32 H new ATOM 0 HG2 MET A 51 -10.374 -7.313 -19.577 1.00 24.23 H new ATOM 0 HG3 MET A 51 -10.844 -5.720 -20.136 1.00 24.23 H new ATOM 0 HE1 MET A 51 -13.147 -9.642 -20.494 1.00 30.43 H new ATOM 0 HE2 MET A 51 -11.960 -9.344 -21.786 1.00 30.43 H new ATOM 0 HE3 MET A 51 -11.432 -9.397 -20.087 1.00 30.43 H new ATOM 793 N GLY A 52 -7.531 -6.320 -19.393 1.00 31.03 N ATOM 794 CA GLY A 52 -6.886 -6.817 -18.189 1.00 41.41 C ATOM 795 C GLY A 52 -5.390 -6.495 -18.196 1.00 50.23 C ATOM 796 O GLY A 52 -4.722 -6.611 -17.170 1.00 44.42 O ATOM 0 H GLY A 52 -7.620 -5.305 -19.441 1.00 31.03 H new ATOM 0 HA2 GLY A 52 -7.354 -6.371 -17.311 1.00 41.41 H new ATOM 0 HA3 GLY A 52 -7.029 -7.895 -18.114 1.00 41.41 H new ATOM 800 N THR A 53 -4.908 -6.097 -19.365 1.00 35.13 N ATOM 801 CA THR A 53 -3.504 -5.758 -19.519 1.00 10.20 C ATOM 802 C THR A 53 -3.223 -4.371 -18.937 1.00 34.12 C ATOM 803 O THR A 53 -3.772 -3.375 -19.405 1.00 11.31 O ATOM 804 CB THR A 53 -3.149 -5.877 -21.002 1.00 61.33 C ATOM 805 OG1 THR A 53 -3.013 -7.280 -21.215 1.00 2.32 O ATOM 806 CG2 THR A 53 -1.761 -5.316 -21.319 1.00 73.04 C ATOM 0 H THR A 53 -5.465 -6.002 -20.214 1.00 35.13 H new ATOM 0 HA THR A 53 -2.868 -6.445 -18.961 1.00 10.20 H new ATOM 0 HB THR A 53 -3.897 -5.353 -21.597 1.00 61.33 H new ATOM 0 HG1 THR A 53 -2.167 -7.460 -21.676 1.00 2.32 H new ATOM 0 HG21 THR A 53 -1.559 -5.425 -22.385 1.00 73.04 H new ATOM 0 HG22 THR A 53 -1.725 -4.261 -21.049 1.00 73.04 H new ATOM 0 HG23 THR A 53 -1.009 -5.862 -20.749 1.00 73.04 H new ATOM 814 N THR A 54 -2.369 -4.351 -17.924 1.00 73.41 N ATOM 815 CA THR A 54 -2.009 -3.103 -17.273 1.00 71.30 C ATOM 816 C THR A 54 -1.604 -2.057 -18.313 1.00 12.20 C ATOM 817 O THR A 54 -0.917 -2.374 -19.283 1.00 2.44 O ATOM 818 CB THR A 54 -0.910 -3.403 -16.252 1.00 45.22 C ATOM 819 OG1 THR A 54 -1.312 -4.635 -15.660 1.00 44.02 O ATOM 820 CG2 THR A 54 -0.908 -2.412 -15.086 1.00 65.21 C ATOM 0 H THR A 54 -1.916 -5.179 -17.538 1.00 73.41 H new ATOM 0 HA THR A 54 -2.858 -2.674 -16.741 1.00 71.30 H new ATOM 0 HB THR A 54 0.061 -3.383 -16.747 1.00 45.22 H new ATOM 0 HG1 THR A 54 -0.583 -4.985 -15.106 1.00 44.02 H new ATOM 0 HG21 THR A 54 -0.109 -2.670 -14.391 1.00 65.21 H new ATOM 0 HG22 THR A 54 -0.747 -1.403 -15.466 1.00 65.21 H new ATOM 0 HG23 THR A 54 -1.867 -2.456 -14.569 1.00 65.21 H new ATOM 828 N LEU A 55 -2.048 -0.831 -18.076 1.00 25.03 N ATOM 829 CA LEU A 55 -1.740 0.264 -18.980 1.00 1.12 C ATOM 830 C LEU A 55 -0.399 0.885 -18.584 1.00 2.21 C ATOM 831 O LEU A 55 -0.161 1.160 -17.409 1.00 3.01 O ATOM 832 CB LEU A 55 -2.895 1.267 -19.019 1.00 4.24 C ATOM 833 CG LEU A 55 -3.145 1.950 -20.365 1.00 30.11 C ATOM 834 CD1 LEU A 55 -3.143 0.930 -21.505 1.00 41.24 C ATOM 835 CD2 LEU A 55 -4.436 2.770 -20.332 1.00 11.21 C ATOM 0 H LEU A 55 -2.618 -0.572 -17.271 1.00 25.03 H new ATOM 0 HA LEU A 55 -1.632 -0.103 -20.001 1.00 1.12 H new ATOM 0 HB2 LEU A 55 -3.808 0.752 -18.721 1.00 4.24 H new ATOM 0 HB3 LEU A 55 -2.706 2.038 -18.272 1.00 4.24 H new ATOM 0 HG LEU A 55 -2.327 2.645 -20.553 1.00 30.11 H new ATOM 0 HD11 LEU A 55 -3.323 1.441 -22.451 1.00 41.24 H new ATOM 0 HD12 LEU A 55 -2.176 0.428 -21.542 1.00 41.24 H new ATOM 0 HD13 LEU A 55 -3.928 0.193 -21.336 1.00 41.24 H new ATOM 0 HD21 LEU A 55 -4.590 3.245 -21.301 1.00 11.21 H new ATOM 0 HD22 LEU A 55 -5.278 2.114 -20.111 1.00 11.21 H new ATOM 0 HD23 LEU A 55 -4.361 3.536 -19.560 1.00 11.21 H new ATOM 847 N MET A 56 0.442 1.088 -19.587 1.00 41.14 N ATOM 848 CA MET A 56 1.753 1.672 -19.359 1.00 21.42 C ATOM 849 C MET A 56 1.824 3.096 -19.913 1.00 74.01 C ATOM 850 O MET A 56 1.026 3.472 -20.770 1.00 50.44 O ATOM 851 CB MET A 56 2.821 0.808 -20.033 1.00 20.12 C ATOM 852 CG MET A 56 2.953 -0.547 -19.333 1.00 55.43 C ATOM 853 SD MET A 56 4.130 -0.431 -17.996 1.00 75.54 S ATOM 854 CE MET A 56 3.013 -0.338 -16.607 1.00 55.32 C ATOM 0 H MET A 56 0.241 0.858 -20.560 1.00 41.14 H new ATOM 0 HA MET A 56 1.930 1.712 -18.284 1.00 21.42 H new ATOM 0 HB2 MET A 56 2.563 0.656 -21.081 1.00 20.12 H new ATOM 0 HB3 MET A 56 3.779 1.327 -20.013 1.00 20.12 H new ATOM 0 HG2 MET A 56 1.983 -0.863 -18.948 1.00 55.43 H new ATOM 0 HG3 MET A 56 3.275 -1.305 -20.047 1.00 55.43 H new ATOM 0 HE1 MET A 56 3.522 -0.682 -15.707 1.00 55.32 H new ATOM 0 HE2 MET A 56 2.689 0.694 -16.469 1.00 55.32 H new ATOM 0 HE3 MET A 56 2.144 -0.968 -16.796 1.00 55.32 H new ATOM 864 N PRO A 57 2.811 3.869 -19.387 1.00 42.13 N ATOM 865 CA PRO A 57 2.996 5.244 -19.820 1.00 62.34 C ATOM 866 C PRO A 57 3.643 5.300 -21.206 1.00 75.21 C ATOM 867 O PRO A 57 3.605 6.334 -21.871 1.00 5.12 O ATOM 868 CB PRO A 57 3.851 5.885 -18.740 1.00 24.23 C ATOM 869 CG PRO A 57 4.499 4.736 -17.984 1.00 71.20 C ATOM 870 CD PRO A 57 3.774 3.457 -18.370 1.00 63.25 C ATOM 0 HA PRO A 57 2.053 5.780 -19.933 1.00 62.34 H new ATOM 0 HB2 PRO A 57 4.605 6.540 -19.176 1.00 24.23 H new ATOM 0 HB3 PRO A 57 3.244 6.498 -18.074 1.00 24.23 H new ATOM 0 HG2 PRO A 57 5.558 4.664 -18.232 1.00 71.20 H new ATOM 0 HG3 PRO A 57 4.434 4.902 -16.909 1.00 71.20 H new ATOM 0 HD2 PRO A 57 4.467 2.711 -18.760 1.00 63.25 H new ATOM 0 HD3 PRO A 57 3.275 3.010 -17.510 1.00 63.25 H new ATOM 878 N ASP A 58 4.220 4.174 -21.601 1.00 13.43 N ATOM 879 CA ASP A 58 4.873 4.082 -22.895 1.00 40.33 C ATOM 880 C ASP A 58 3.975 3.306 -23.861 1.00 0.31 C ATOM 881 O ASP A 58 4.387 2.985 -24.975 1.00 15.14 O ATOM 882 CB ASP A 58 6.206 3.339 -22.788 1.00 33.30 C ATOM 883 CG ASP A 58 7.127 3.484 -24.001 1.00 74.52 C ATOM 884 OD1 ASP A 58 8.300 3.085 -23.963 1.00 61.15 O ATOM 885 OD2 ASP A 58 6.587 4.040 -25.032 1.00 54.31 O ATOM 0 H ASP A 58 4.248 3.318 -21.047 1.00 13.43 H new ATOM 0 HA ASP A 58 5.053 5.095 -23.254 1.00 40.33 H new ATOM 0 HB2 ASP A 58 6.735 3.697 -21.905 1.00 33.30 H new ATOM 0 HB3 ASP A 58 6.003 2.280 -22.630 1.00 33.30 H new ATOM 891 N MET A 59 2.765 3.027 -23.399 1.00 1.53 N ATOM 892 CA MET A 59 1.805 2.295 -24.207 1.00 44.15 C ATOM 893 C MET A 59 0.649 3.199 -24.639 1.00 12.22 C ATOM 894 O MET A 59 -0.362 2.719 -25.149 1.00 70.03 O ATOM 895 CB MET A 59 1.258 1.113 -23.405 1.00 52.20 C ATOM 896 CG MET A 59 2.141 -0.124 -23.580 1.00 31.14 C ATOM 897 SD MET A 59 1.185 -1.603 -23.285 1.00 42.42 S ATOM 898 CE MET A 59 0.266 -1.095 -21.842 1.00 33.11 C ATOM 0 H MET A 59 2.427 3.295 -22.475 1.00 1.53 H new ATOM 0 HA MET A 59 2.312 1.934 -25.102 1.00 44.15 H new ATOM 0 HB2 MET A 59 1.204 1.379 -22.349 1.00 52.20 H new ATOM 0 HB3 MET A 59 0.242 0.888 -23.729 1.00 52.20 H new ATOM 0 HG2 MET A 59 2.557 -0.145 -24.587 1.00 31.14 H new ATOM 0 HG3 MET A 59 2.983 -0.081 -22.889 1.00 31.14 H new ATOM 0 HE1 MET A 59 -0.510 -1.830 -21.627 1.00 33.11 H new ATOM 0 HE2 MET A 59 0.941 -1.019 -20.989 1.00 33.11 H new ATOM 0 HE3 MET A 59 -0.195 -0.125 -22.027 1.00 33.11 H new ATOM 908 N VAL A 60 0.836 4.492 -24.418 1.00 2.02 N ATOM 909 CA VAL A 60 -0.179 5.468 -24.777 1.00 61.42 C ATOM 910 C VAL A 60 0.481 6.636 -25.512 1.00 54.13 C ATOM 911 O VAL A 60 1.524 7.131 -25.089 1.00 13.45 O ATOM 912 CB VAL A 60 -0.950 5.905 -23.530 1.00 22.52 C ATOM 913 CG1 VAL A 60 -2.122 6.816 -23.901 1.00 24.43 C ATOM 914 CG2 VAL A 60 -1.430 4.692 -22.729 1.00 45.22 C ATOM 0 H VAL A 60 1.676 4.887 -23.995 1.00 2.02 H new ATOM 0 HA VAL A 60 -0.909 5.027 -25.456 1.00 61.42 H new ATOM 0 HB VAL A 60 -0.269 6.476 -22.898 1.00 22.52 H new ATOM 0 HG11 VAL A 60 -2.653 7.112 -22.996 1.00 24.43 H new ATOM 0 HG12 VAL A 60 -1.746 7.704 -24.408 1.00 24.43 H new ATOM 0 HG13 VAL A 60 -2.803 6.281 -24.563 1.00 24.43 H new ATOM 0 HG21 VAL A 60 -1.975 5.030 -21.848 1.00 45.22 H new ATOM 0 HG22 VAL A 60 -2.087 4.083 -23.350 1.00 45.22 H new ATOM 0 HG23 VAL A 60 -0.571 4.098 -22.418 1.00 45.22 H new ATOM 924 N LYS A 61 -0.155 7.043 -26.601 1.00 70.13 N ATOM 925 CA LYS A 61 0.357 8.144 -27.399 1.00 71.04 C ATOM 926 C LYS A 61 -0.107 9.469 -26.790 1.00 60.51 C ATOM 927 O LYS A 61 -1.165 9.532 -26.166 1.00 51.12 O ATOM 928 CB LYS A 61 -0.038 7.971 -28.867 1.00 61.44 C ATOM 929 CG LYS A 61 0.509 6.658 -29.431 1.00 25.40 C ATOM 930 CD LYS A 61 0.467 6.658 -30.960 1.00 64.44 C ATOM 931 CE LYS A 61 -0.233 5.405 -31.490 1.00 33.34 C ATOM 932 NZ LYS A 61 0.761 4.415 -31.960 1.00 60.43 N ATOM 0 H LYS A 61 -1.020 6.630 -26.949 1.00 70.13 H new ATOM 0 HA LYS A 61 1.447 8.150 -27.384 1.00 71.04 H new ATOM 0 HB2 LYS A 61 -1.124 7.986 -28.959 1.00 61.44 H new ATOM 0 HB3 LYS A 61 0.343 8.809 -29.451 1.00 61.44 H new ATOM 0 HG2 LYS A 61 1.535 6.512 -29.092 1.00 25.40 H new ATOM 0 HG3 LYS A 61 -0.076 5.822 -29.048 1.00 25.40 H new ATOM 0 HD2 LYS A 61 -0.055 7.547 -31.313 1.00 64.44 H new ATOM 0 HD3 LYS A 61 1.482 6.706 -31.355 1.00 64.44 H new ATOM 0 HE2 LYS A 61 -0.849 4.966 -30.705 1.00 33.34 H new ATOM 0 HE3 LYS A 61 -0.902 5.673 -32.308 1.00 33.34 H new ATOM 0 HZ1 LYS A 61 0.309 3.482 -32.043 1.00 60.43 H new ATOM 0 HZ2 LYS A 61 1.129 4.706 -32.888 1.00 60.43 H new ATOM 0 HZ3 LYS A 61 1.545 4.360 -31.279 1.00 60.43 H new ATOM 945 N GLY A 62 0.708 10.494 -26.992 1.00 73.44 N ATOM 946 CA GLY A 62 0.394 11.813 -26.471 1.00 1.12 C ATOM 947 C GLY A 62 0.172 11.766 -24.958 1.00 21.03 C ATOM 948 O GLY A 62 -0.399 12.690 -24.381 1.00 52.45 O ATOM 0 H GLY A 62 1.585 10.437 -27.509 1.00 73.44 H new ATOM 0 HA2 GLY A 62 1.206 12.502 -26.702 1.00 1.12 H new ATOM 0 HA3 GLY A 62 -0.500 12.198 -26.962 1.00 1.12 H new ATOM 952 N TYR A 63 0.636 10.680 -24.357 1.00 75.43 N ATOM 953 CA TYR A 63 0.495 10.500 -22.922 1.00 73.23 C ATOM 954 C TYR A 63 1.581 11.266 -22.165 1.00 13.45 C ATOM 955 O TYR A 63 2.495 11.820 -22.774 1.00 15.12 O ATOM 956 CB TYR A 63 0.671 9.002 -22.666 1.00 22.13 C ATOM 957 CG TYR A 63 0.923 8.647 -21.199 1.00 10.41 C ATOM 958 CD1 TYR A 63 2.210 8.644 -20.701 1.00 20.12 C ATOM 959 CD2 TYR A 63 -0.137 8.331 -20.374 1.00 31.04 C ATOM 960 CE1 TYR A 63 2.447 8.310 -19.320 1.00 50.12 C ATOM 961 CE2 TYR A 63 0.100 7.997 -18.993 1.00 12.20 C ATOM 962 CZ TYR A 63 1.380 8.003 -18.534 1.00 42.25 C ATOM 963 OH TYR A 63 1.604 7.688 -17.231 1.00 10.15 O ATOM 0 H TYR A 63 1.110 9.916 -24.838 1.00 75.43 H new ATOM 0 HA TYR A 63 -0.471 10.871 -22.581 1.00 73.23 H new ATOM 0 HB2 TYR A 63 -0.222 8.478 -23.008 1.00 22.13 H new ATOM 0 HB3 TYR A 63 1.504 8.637 -23.266 1.00 22.13 H new ATOM 0 HD1 TYR A 63 3.039 8.892 -21.347 1.00 20.12 H new ATOM 0 HD2 TYR A 63 -1.144 8.334 -20.764 1.00 31.04 H new ATOM 0 HE1 TYR A 63 3.449 8.303 -18.918 1.00 50.12 H new ATOM 0 HE2 TYR A 63 -0.721 7.747 -18.337 1.00 12.20 H new ATOM 0 HH TYR A 63 0.978 8.183 -16.662 1.00 10.15 H new ATOM 973 N ALA A 64 1.445 11.274 -20.847 1.00 34.13 N ATOM 974 CA ALA A 64 2.403 11.963 -19.999 1.00 52.33 C ATOM 975 C ALA A 64 1.882 11.984 -18.561 1.00 4.13 C ATOM 976 O ALA A 64 0.674 12.006 -18.334 1.00 54.32 O ATOM 977 CB ALA A 64 2.652 13.369 -20.549 1.00 42.04 C ATOM 0 H ALA A 64 0.685 10.814 -20.345 1.00 34.13 H new ATOM 0 HA ALA A 64 3.359 11.439 -19.996 1.00 52.33 H new ATOM 0 HB1 ALA A 64 3.371 13.886 -19.913 1.00 42.04 H new ATOM 0 HB2 ALA A 64 3.048 13.299 -21.562 1.00 42.04 H new ATOM 0 HB3 ALA A 64 1.715 13.925 -20.564 1.00 42.04 H new ATOM 983 N PRO A 65 2.846 11.976 -17.601 1.00 32.12 N ATOM 984 CA PRO A 65 2.497 11.994 -16.190 1.00 62.54 C ATOM 985 C PRO A 65 2.030 13.385 -15.758 1.00 70.04 C ATOM 986 O PRO A 65 2.339 14.379 -16.414 1.00 24.13 O ATOM 987 CB PRO A 65 3.755 11.539 -15.469 1.00 21.45 C ATOM 988 CG PRO A 65 4.895 11.730 -16.456 1.00 73.22 C ATOM 989 CD PRO A 65 4.287 11.950 -17.832 1.00 22.31 C ATOM 0 HA PRO A 65 1.659 11.337 -15.955 1.00 62.54 H new ATOM 0 HB2 PRO A 65 3.920 12.124 -14.564 1.00 21.45 H new ATOM 0 HB3 PRO A 65 3.674 10.496 -15.163 1.00 21.45 H new ATOM 0 HG2 PRO A 65 5.510 12.583 -16.169 1.00 73.22 H new ATOM 0 HG3 PRO A 65 5.546 10.856 -16.461 1.00 73.22 H new ATOM 0 HD2 PRO A 65 4.634 12.884 -18.273 1.00 22.31 H new ATOM 0 HD3 PRO A 65 4.563 11.151 -18.519 1.00 22.31 H new