USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 505 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 -155:sc= -1.65 USER MOD Set 1.2: A 21 MET CE :methyl -111:sc= -3.66! (180deg=-2.64!) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.74 K(o=-1.4,f=-8.3!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -109:sc= 0.357 (180deg=-0.804) USER MOD Single : A 2 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.01) USER MOD Single : A 4 SER OG : rot -90:sc= -0.224 USER MOD Single : A 9 GLN : amide:sc= -4.05! C(o=-4.1!,f=-4.9!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.77 USER MOD Single : A 22 MET CE :methyl -162:sc= -1.28 (180deg=-1.91) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.369! USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.679 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 42 SER OG : rot -87:sc= 1.17 USER MOD Single : A 43 MET CE :methyl -135:sc= -3.89! (180deg=-7.76!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -5.14! C(o=-5.1!,f=-6.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.07 F(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 170:sc= -3.24! (180deg=-3.28!) USER MOD Single : A 53 THR OG1 : rot 99:sc= 0.174 USER MOD Single : A 54 THR OG1 : rot 157:sc= -5.24! USER MOD Single : A 56 MET CE :methyl -156:sc= -0.681 (180deg=-1.58!) USER MOD Single : A 59 MET CE :methyl -119:sc= -6.46! (180deg=-7.38!) USER MOD Single : A 63 TYR OH : rot 149:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.150 -0.954 -5.450 1.00 1.02 N ATOM 33 CA GLN A 2 -1.745 -0.175 -6.523 1.00 23.31 C ATOM 34 C GLN A 2 -3.242 -0.473 -6.628 1.00 63.10 C ATOM 35 O GLN A 2 -3.634 -1.584 -6.982 1.00 41.11 O ATOM 36 CB GLN A 2 -1.037 -0.444 -7.853 1.00 34.34 C ATOM 37 CG GLN A 2 -1.822 0.153 -9.022 1.00 14.41 C ATOM 38 CD GLN A 2 -1.792 1.682 -8.978 1.00 52.51 C ATOM 39 OE1 GLN A 2 -0.763 2.314 -9.151 1.00 63.11 O ATOM 40 NE2 GLN A 2 -2.975 2.240 -8.738 1.00 14.33 N ATOM 0 HA GLN A 2 -1.621 0.883 -6.290 1.00 23.31 H new ATOM 0 HB2 GLN A 2 -0.034 -0.018 -7.828 1.00 34.34 H new ATOM 0 HB3 GLN A 2 -0.923 -1.518 -7.998 1.00 34.34 H new ATOM 0 HG2 GLN A 2 -1.399 -0.196 -9.964 1.00 14.41 H new ATOM 0 HG3 GLN A 2 -2.854 -0.195 -8.987 1.00 14.41 H new ATOM 0 HE21 GLN A 2 -3.798 1.653 -8.602 1.00 14.33 H new ATOM 0 HE22 GLN A 2 -3.060 3.255 -8.690 1.00 14.33 H new ATOM 49 N GLU A 3 -4.037 0.539 -6.314 1.00 73.30 N ATOM 50 CA GLU A 3 -5.483 0.399 -6.369 1.00 4.22 C ATOM 51 C GLU A 3 -6.004 0.815 -7.746 1.00 13.24 C ATOM 52 O GLU A 3 -5.920 1.984 -8.118 1.00 42.41 O ATOM 53 CB GLU A 3 -6.154 1.211 -5.260 1.00 13.43 C ATOM 54 CG GLU A 3 -6.528 0.318 -4.075 1.00 63.11 C ATOM 55 CD GLU A 3 -7.570 0.996 -3.184 1.00 54.21 C ATOM 56 OE1 GLU A 3 -7.476 2.206 -2.931 1.00 13.33 O ATOM 57 OE2 GLU A 3 -8.505 0.220 -2.750 1.00 62.24 O ATOM 0 H GLU A 3 -3.708 1.459 -6.021 1.00 73.30 H new ATOM 0 HA GLU A 3 -5.734 -0.650 -6.209 1.00 4.22 H new ATOM 0 HB2 GLU A 3 -5.482 2.002 -4.926 1.00 13.43 H new ATOM 0 HB3 GLU A 3 -7.048 1.697 -5.650 1.00 13.43 H new ATOM 0 HG2 GLU A 3 -6.919 -0.632 -4.440 1.00 63.11 H new ATOM 0 HG3 GLU A 3 -5.636 0.092 -3.490 1.00 63.11 H new ATOM 65 N SER A 4 -6.532 -0.165 -8.464 1.00 51.01 N ATOM 66 CA SER A 4 -7.067 0.085 -9.792 1.00 34.34 C ATOM 67 C SER A 4 -8.594 0.174 -9.732 1.00 44.41 C ATOM 68 O SER A 4 -9.224 -0.462 -8.889 1.00 70.45 O ATOM 69 CB SER A 4 -6.638 -1.008 -10.773 1.00 43.50 C ATOM 70 OG SER A 4 -5.231 -1.231 -10.741 1.00 44.51 O ATOM 0 H SER A 4 -6.601 -1.134 -8.152 1.00 51.01 H new ATOM 0 HA SER A 4 -6.667 1.034 -10.149 1.00 34.34 H new ATOM 0 HB2 SER A 4 -7.158 -1.935 -10.533 1.00 43.50 H new ATOM 0 HB3 SER A 4 -6.938 -0.727 -11.783 1.00 43.50 H new ATOM 0 HG SER A 4 -4.792 -0.647 -11.394 1.00 44.51 H new ATOM 76 N VAL A 5 -9.143 0.970 -10.638 1.00 14.14 N ATOM 77 CA VAL A 5 -10.584 1.151 -10.699 1.00 2.43 C ATOM 78 C VAL A 5 -11.254 -0.203 -10.938 1.00 12.12 C ATOM 79 O VAL A 5 -10.765 -1.011 -11.725 1.00 60.42 O ATOM 80 CB VAL A 5 -10.936 2.189 -11.766 1.00 43.53 C ATOM 81 CG1 VAL A 5 -12.446 2.241 -12.003 1.00 53.54 C ATOM 82 CG2 VAL A 5 -10.392 3.569 -11.390 1.00 2.12 C ATOM 0 H VAL A 5 -8.617 1.497 -11.335 1.00 14.14 H new ATOM 0 HA VAL A 5 -10.961 1.537 -9.752 1.00 2.43 H new ATOM 0 HB VAL A 5 -10.461 1.885 -12.699 1.00 43.53 H new ATOM 0 HG11 VAL A 5 -12.669 2.987 -12.766 1.00 53.54 H new ATOM 0 HG12 VAL A 5 -12.796 1.264 -12.337 1.00 53.54 H new ATOM 0 HG13 VAL A 5 -12.951 2.509 -11.075 1.00 53.54 H new ATOM 0 HG21 VAL A 5 -10.656 4.288 -12.165 1.00 2.12 H new ATOM 0 HG22 VAL A 5 -10.824 3.884 -10.440 1.00 2.12 H new ATOM 0 HG23 VAL A 5 -9.307 3.519 -11.296 1.00 2.12 H new ATOM 92 N VAL A 6 -12.364 -0.409 -10.244 1.00 2.34 N ATOM 93 CA VAL A 6 -13.106 -1.651 -10.371 1.00 34.25 C ATOM 94 C VAL A 6 -14.602 -1.340 -10.462 1.00 5.31 C ATOM 95 O VAL A 6 -15.139 -0.610 -9.631 1.00 10.44 O ATOM 96 CB VAL A 6 -12.761 -2.588 -9.211 1.00 64.24 C ATOM 97 CG1 VAL A 6 -13.524 -3.909 -9.328 1.00 23.20 C ATOM 98 CG2 VAL A 6 -11.252 -2.831 -9.134 1.00 70.22 C ATOM 0 H VAL A 6 -12.767 0.264 -9.592 1.00 2.34 H new ATOM 0 HA VAL A 6 -12.825 -2.171 -11.287 1.00 34.25 H new ATOM 0 HB VAL A 6 -13.070 -2.104 -8.285 1.00 64.24 H new ATOM 0 HG11 VAL A 6 -13.261 -4.557 -8.492 1.00 23.20 H new ATOM 0 HG12 VAL A 6 -14.596 -3.713 -9.312 1.00 23.20 H new ATOM 0 HG13 VAL A 6 -13.259 -4.400 -10.264 1.00 23.20 H new ATOM 0 HG21 VAL A 6 -11.033 -3.500 -8.302 1.00 70.22 H new ATOM 0 HG22 VAL A 6 -10.909 -3.284 -10.064 1.00 70.22 H new ATOM 0 HG23 VAL A 6 -10.738 -1.882 -8.982 1.00 70.22 H new ATOM 108 N ALA A 7 -15.231 -1.909 -11.479 1.00 41.14 N ATOM 109 CA ALA A 7 -16.653 -1.701 -11.690 1.00 75.12 C ATOM 110 C ALA A 7 -17.400 -1.946 -10.378 1.00 33.44 C ATOM 111 O ALA A 7 -17.563 -3.091 -9.956 1.00 54.45 O ATOM 112 CB ALA A 7 -17.141 -2.613 -12.818 1.00 32.03 C ATOM 0 H ALA A 7 -14.782 -2.514 -12.166 1.00 41.14 H new ATOM 0 HA ALA A 7 -16.849 -0.673 -11.994 1.00 75.12 H new ATOM 0 HB1 ALA A 7 -18.208 -2.457 -12.976 1.00 32.03 H new ATOM 0 HB2 ALA A 7 -16.600 -2.379 -13.735 1.00 32.03 H new ATOM 0 HB3 ALA A 7 -16.963 -3.654 -12.547 1.00 32.03 H new ATOM 118 N ALA A 8 -17.834 -0.853 -9.767 1.00 71.35 N ATOM 119 CA ALA A 8 -18.560 -0.935 -8.511 1.00 62.33 C ATOM 120 C ALA A 8 -19.871 -1.692 -8.733 1.00 61.12 C ATOM 121 O ALA A 8 -20.405 -2.301 -7.807 1.00 41.42 O ATOM 122 CB ALA A 8 -18.786 0.474 -7.959 1.00 71.43 C ATOM 0 H ALA A 8 -17.697 0.094 -10.119 1.00 71.35 H new ATOM 0 HA ALA A 8 -17.983 -1.487 -7.769 1.00 62.33 H new ATOM 0 HB1 ALA A 8 -19.331 0.413 -7.017 1.00 71.43 H new ATOM 0 HB2 ALA A 8 -17.824 0.958 -7.791 1.00 71.43 H new ATOM 0 HB3 ALA A 8 -19.365 1.057 -8.675 1.00 71.43 H new ATOM 128 N GLN A 9 -20.352 -1.630 -9.966 1.00 42.52 N ATOM 129 CA GLN A 9 -21.590 -2.301 -10.321 1.00 72.35 C ATOM 130 C GLN A 9 -21.631 -2.579 -11.826 1.00 10.44 C ATOM 131 O GLN A 9 -20.738 -2.162 -12.562 1.00 23.44 O ATOM 132 CB GLN A 9 -22.805 -1.481 -9.882 1.00 64.01 C ATOM 133 CG GLN A 9 -22.535 0.018 -10.026 1.00 41.12 C ATOM 134 CD GLN A 9 -23.793 0.834 -9.719 1.00 24.51 C ATOM 135 OE1 GLN A 9 -23.989 1.330 -8.622 1.00 34.42 O ATOM 136 NE2 GLN A 9 -24.630 0.944 -10.746 1.00 71.12 N ATOM 0 H GLN A 9 -19.906 -1.125 -10.732 1.00 42.52 H new ATOM 0 HA GLN A 9 -21.627 -3.254 -9.794 1.00 72.35 H new ATOM 0 HB2 GLN A 9 -23.671 -1.758 -10.483 1.00 64.01 H new ATOM 0 HB3 GLN A 9 -23.049 -1.712 -8.845 1.00 64.01 H new ATOM 0 HG2 GLN A 9 -21.732 0.313 -9.350 1.00 41.12 H new ATOM 0 HG3 GLN A 9 -22.195 0.234 -11.039 1.00 41.12 H new ATOM 0 HE21 GLN A 9 -24.404 0.503 -11.638 1.00 71.12 H new ATOM 0 HE22 GLN A 9 -25.498 1.469 -10.642 1.00 71.12 H new ATOM 145 N LEU A 10 -22.677 -3.280 -12.238 1.00 0.15 N ATOM 146 CA LEU A 10 -22.846 -3.618 -13.641 1.00 1.43 C ATOM 147 C LEU A 10 -22.826 -2.336 -14.475 1.00 42.54 C ATOM 148 O LEU A 10 -23.681 -1.468 -14.308 1.00 15.14 O ATOM 149 CB LEU A 10 -24.106 -4.462 -13.841 1.00 11.15 C ATOM 150 CG LEU A 10 -24.483 -4.772 -15.291 1.00 3.12 C ATOM 151 CD1 LEU A 10 -23.803 -6.055 -15.771 1.00 61.44 C ATOM 152 CD2 LEU A 10 -26.002 -4.829 -15.462 1.00 60.14 C ATOM 0 H LEU A 10 -23.416 -3.623 -11.625 1.00 0.15 H new ATOM 0 HA LEU A 10 -22.018 -4.237 -13.986 1.00 1.43 H new ATOM 0 HB2 LEU A 10 -23.975 -5.405 -13.311 1.00 11.15 H new ATOM 0 HB3 LEU A 10 -24.943 -3.946 -13.371 1.00 11.15 H new ATOM 0 HG LEU A 10 -24.119 -3.960 -15.920 1.00 3.12 H new ATOM 0 HD11 LEU A 10 -24.087 -6.253 -16.804 1.00 61.44 H new ATOM 0 HD12 LEU A 10 -22.721 -5.939 -15.708 1.00 61.44 H new ATOM 0 HD13 LEU A 10 -24.115 -6.889 -15.143 1.00 61.44 H new ATOM 0 HD21 LEU A 10 -26.243 -5.051 -16.502 1.00 60.14 H new ATOM 0 HD22 LEU A 10 -26.411 -5.609 -14.820 1.00 60.14 H new ATOM 0 HD23 LEU A 10 -26.436 -3.868 -15.186 1.00 60.14 H new ATOM 164 N ILE A 11 -21.840 -2.257 -15.357 1.00 2.42 N ATOM 165 CA ILE A 11 -21.697 -1.095 -16.218 1.00 70.11 C ATOM 166 C ILE A 11 -21.787 -1.536 -17.680 1.00 42.24 C ATOM 167 O ILE A 11 -20.866 -2.164 -18.201 1.00 11.40 O ATOM 168 CB ILE A 11 -20.413 -0.334 -15.883 1.00 23.12 C ATOM 169 CG1 ILE A 11 -20.446 0.192 -14.447 1.00 14.44 C ATOM 170 CG2 ILE A 11 -20.156 0.783 -16.897 1.00 35.51 C ATOM 171 CD1 ILE A 11 -19.048 0.185 -13.827 1.00 24.52 C ATOM 0 H ILE A 11 -21.132 -2.979 -15.494 1.00 2.42 H new ATOM 0 HA ILE A 11 -22.511 -0.391 -16.046 1.00 70.11 H new ATOM 0 HB ILE A 11 -19.577 -1.030 -15.952 1.00 23.12 H new ATOM 0 HG12 ILE A 11 -20.847 1.206 -14.437 1.00 14.44 H new ATOM 0 HG13 ILE A 11 -21.117 -0.422 -13.846 1.00 14.44 H new ATOM 0 HG21 ILE A 11 -19.237 1.308 -16.635 1.00 35.51 H new ATOM 0 HG22 ILE A 11 -20.057 0.354 -17.894 1.00 35.51 H new ATOM 0 HG23 ILE A 11 -20.990 1.484 -16.885 1.00 35.51 H new ATOM 0 HD11 ILE A 11 -19.101 0.564 -12.806 1.00 24.52 H new ATOM 0 HD12 ILE A 11 -18.660 -0.833 -13.817 1.00 24.52 H new ATOM 0 HD13 ILE A 11 -18.386 0.820 -14.416 1.00 24.52 H new ATOM 183 N PRO A 12 -22.934 -1.180 -18.318 1.00 70.35 N ATOM 184 CA PRO A 12 -23.156 -1.532 -19.711 1.00 31.35 C ATOM 185 C PRO A 12 -22.324 -0.646 -20.640 1.00 21.23 C ATOM 186 O PRO A 12 -21.703 0.317 -20.193 1.00 55.41 O ATOM 187 CB PRO A 12 -24.653 -1.374 -19.922 1.00 60.33 C ATOM 188 CG PRO A 12 -25.145 -0.498 -18.782 1.00 31.23 C ATOM 189 CD PRO A 12 -24.046 -0.437 -17.734 1.00 10.43 C ATOM 0 HA PRO A 12 -22.839 -2.549 -19.944 1.00 31.35 H new ATOM 0 HB2 PRO A 12 -24.865 -0.914 -20.887 1.00 60.33 H new ATOM 0 HB3 PRO A 12 -25.153 -2.343 -19.914 1.00 60.33 H new ATOM 0 HG2 PRO A 12 -25.383 0.502 -19.144 1.00 31.23 H new ATOM 0 HG3 PRO A 12 -26.059 -0.908 -18.353 1.00 31.23 H new ATOM 0 HD2 PRO A 12 -23.763 0.593 -17.517 1.00 10.43 H new ATOM 0 HD3 PRO A 12 -24.370 -0.884 -16.794 1.00 10.43 H new ATOM 197 N ILE A 13 -22.338 -1.004 -21.915 1.00 62.03 N ATOM 198 CA ILE A 13 -21.592 -0.253 -22.911 1.00 72.43 C ATOM 199 C ILE A 13 -22.302 1.075 -23.179 1.00 2.53 C ATOM 200 O ILE A 13 -23.529 1.126 -23.242 1.00 12.24 O ATOM 201 CB ILE A 13 -21.376 -1.099 -24.168 1.00 42.31 C ATOM 202 CG1 ILE A 13 -20.500 -0.360 -25.182 1.00 3.23 C ATOM 203 CG2 ILE A 13 -22.712 -1.532 -24.774 1.00 31.51 C ATOM 204 CD1 ILE A 13 -19.838 -1.340 -26.152 1.00 73.24 C ATOM 0 H ILE A 13 -22.854 -1.804 -22.282 1.00 62.03 H new ATOM 0 HA ILE A 13 -20.595 -0.013 -22.540 1.00 72.43 H new ATOM 0 HB ILE A 13 -20.843 -2.006 -23.882 1.00 42.31 H new ATOM 0 HG12 ILE A 13 -21.106 0.355 -25.739 1.00 3.23 H new ATOM 0 HG13 ILE A 13 -19.734 0.212 -24.658 1.00 3.23 H new ATOM 0 HG21 ILE A 13 -22.530 -2.132 -25.666 1.00 31.51 H new ATOM 0 HG22 ILE A 13 -23.267 -2.124 -24.046 1.00 31.51 H new ATOM 0 HG23 ILE A 13 -23.293 -0.650 -25.043 1.00 31.51 H new ATOM 0 HD11 ILE A 13 -19.221 -0.789 -26.862 1.00 73.24 H new ATOM 0 HD12 ILE A 13 -19.214 -2.038 -25.594 1.00 73.24 H new ATOM 0 HD13 ILE A 13 -20.607 -1.893 -26.692 1.00 73.24 H new ATOM 216 N ASN A 14 -21.499 2.119 -23.329 1.00 21.32 N ATOM 217 CA ASN A 14 -22.035 3.444 -23.588 1.00 3.21 C ATOM 218 C ASN A 14 -22.744 3.957 -22.333 1.00 41.20 C ATOM 219 O ASN A 14 -23.704 4.721 -22.426 1.00 64.04 O ATOM 220 CB ASN A 14 -23.055 3.413 -24.728 1.00 24.11 C ATOM 221 CG ASN A 14 -22.555 2.548 -25.887 1.00 32.33 C ATOM 222 OD1 ASN A 14 -21.544 2.824 -26.511 1.00 51.11 O ATOM 223 ND2 ASN A 14 -23.318 1.488 -26.138 1.00 72.15 N ATOM 0 H ASN A 14 -20.481 2.073 -23.276 1.00 21.32 H new ATOM 0 HA ASN A 14 -21.205 4.095 -23.864 1.00 3.21 H new ATOM 0 HB2 ASN A 14 -24.004 3.022 -24.361 1.00 24.11 H new ATOM 0 HB3 ASN A 14 -23.243 4.427 -25.081 1.00 24.11 H new ATOM 0 HD21 ASN A 14 -23.069 0.848 -26.892 1.00 72.15 H new ATOM 0 HD22 ASN A 14 -24.152 1.315 -25.577 1.00 72.15 H new ATOM 230 N THR A 15 -22.244 3.517 -21.188 1.00 30.22 N ATOM 231 CA THR A 15 -22.818 3.922 -19.916 1.00 22.22 C ATOM 232 C THR A 15 -21.907 4.933 -19.218 1.00 5.23 C ATOM 233 O THR A 15 -20.801 4.593 -18.800 1.00 43.01 O ATOM 234 CB THR A 15 -23.072 2.660 -19.088 1.00 45.14 C ATOM 235 OG1 THR A 15 -23.860 1.837 -19.943 1.00 53.14 O ATOM 236 CG2 THR A 15 -23.978 2.922 -17.884 1.00 4.23 C ATOM 0 H THR A 15 -21.448 2.884 -21.114 1.00 30.22 H new ATOM 0 HA THR A 15 -23.771 4.433 -20.057 1.00 22.22 H new ATOM 0 HB THR A 15 -22.121 2.254 -18.744 1.00 45.14 H new ATOM 0 HG1 THR A 15 -24.693 2.302 -20.168 1.00 53.14 H new ATOM 0 HG21 THR A 15 -24.126 1.994 -17.331 1.00 4.23 H new ATOM 0 HG22 THR A 15 -23.513 3.662 -17.233 1.00 4.23 H new ATOM 0 HG23 THR A 15 -24.942 3.296 -18.229 1.00 4.23 H new ATOM 244 N ALA A 16 -22.405 6.156 -19.112 1.00 43.45 N ATOM 245 CA ALA A 16 -21.649 7.220 -18.472 1.00 72.41 C ATOM 246 C ALA A 16 -21.217 6.763 -17.077 1.00 42.33 C ATOM 247 O ALA A 16 -22.051 6.590 -16.190 1.00 53.04 O ATOM 248 CB ALA A 16 -22.495 8.494 -18.433 1.00 4.34 C ATOM 0 H ALA A 16 -23.323 6.434 -19.459 1.00 43.45 H new ATOM 0 HA ALA A 16 -20.746 7.446 -19.039 1.00 72.41 H new ATOM 0 HB1 ALA A 16 -21.929 9.292 -17.953 1.00 4.34 H new ATOM 0 HB2 ALA A 16 -22.752 8.792 -19.450 1.00 4.34 H new ATOM 0 HB3 ALA A 16 -23.408 8.307 -17.868 1.00 4.34 H new ATOM 254 N LEU A 17 -19.913 6.582 -16.927 1.00 30.32 N ATOM 255 CA LEU A 17 -19.360 6.149 -15.655 1.00 24.21 C ATOM 256 C LEU A 17 -19.763 7.143 -14.564 1.00 22.54 C ATOM 257 O LEU A 17 -19.929 8.331 -14.832 1.00 54.22 O ATOM 258 CB LEU A 17 -17.848 5.942 -15.771 1.00 10.53 C ATOM 259 CG LEU A 17 -17.394 4.826 -16.713 1.00 43.35 C ATOM 260 CD1 LEU A 17 -15.895 4.928 -17.002 1.00 2.51 C ATOM 261 CD2 LEU A 17 -17.779 3.452 -16.162 1.00 1.11 C ATOM 0 H LEU A 17 -19.224 6.727 -17.665 1.00 30.32 H new ATOM 0 HA LEU A 17 -19.770 5.180 -15.371 1.00 24.21 H new ATOM 0 HB2 LEU A 17 -17.398 6.877 -16.104 1.00 10.53 H new ATOM 0 HB3 LEU A 17 -17.452 5.734 -14.777 1.00 10.53 H new ATOM 0 HG LEU A 17 -17.914 4.949 -17.663 1.00 43.35 H new ATOM 0 HD11 LEU A 17 -15.598 4.123 -17.674 1.00 2.51 H new ATOM 0 HD12 LEU A 17 -15.679 5.889 -17.469 1.00 2.51 H new ATOM 0 HD13 LEU A 17 -15.338 4.845 -16.069 1.00 2.51 H new ATOM 0 HD21 LEU A 17 -17.444 2.677 -16.851 1.00 1.11 H new ATOM 0 HD22 LEU A 17 -17.306 3.304 -15.191 1.00 1.11 H new ATOM 0 HD23 LEU A 17 -18.862 3.395 -16.050 1.00 1.11 H new ATOM 273 N THR A 18 -19.908 6.619 -13.355 1.00 60.33 N ATOM 274 CA THR A 18 -20.288 7.445 -12.222 1.00 75.02 C ATOM 275 C THR A 18 -19.550 6.993 -10.961 1.00 2.21 C ATOM 276 O THR A 18 -19.049 5.872 -10.899 1.00 24.32 O ATOM 277 CB THR A 18 -21.811 7.390 -12.087 1.00 75.31 C ATOM 278 OG1 THR A 18 -22.134 6.027 -12.353 1.00 14.53 O ATOM 279 CG2 THR A 18 -22.526 8.165 -13.196 1.00 12.03 C ATOM 0 H THR A 18 -19.769 5.633 -13.136 1.00 60.33 H new ATOM 0 HA THR A 18 -19.998 8.484 -12.375 1.00 75.02 H new ATOM 0 HB THR A 18 -22.104 7.791 -11.117 1.00 75.31 H new ATOM 0 HG1 THR A 18 -23.057 5.967 -12.677 1.00 14.53 H new ATOM 0 HG21 THR A 18 -23.604 8.094 -13.053 1.00 12.03 H new ATOM 0 HG22 THR A 18 -22.224 9.212 -13.161 1.00 12.03 H new ATOM 0 HG23 THR A 18 -22.260 7.742 -14.165 1.00 12.03 H new ATOM 287 N LEU A 19 -19.506 7.890 -9.986 1.00 62.15 N ATOM 288 CA LEU A 19 -18.837 7.598 -8.730 1.00 63.42 C ATOM 289 C LEU A 19 -19.598 6.492 -7.997 1.00 35.12 C ATOM 290 O LEU A 19 -19.107 5.942 -7.013 1.00 24.14 O ATOM 291 CB LEU A 19 -18.662 8.875 -7.906 1.00 73.12 C ATOM 292 CG LEU A 19 -17.659 8.798 -6.754 1.00 22.13 C ATOM 293 CD1 LEU A 19 -16.346 8.160 -7.212 1.00 21.03 C ATOM 294 CD2 LEU A 19 -17.438 10.176 -6.126 1.00 33.42 C ATOM 0 H LEU A 19 -19.923 8.819 -10.041 1.00 62.15 H new ATOM 0 HA LEU A 19 -17.829 7.225 -8.913 1.00 63.42 H new ATOM 0 HB2 LEU A 19 -18.354 9.677 -8.577 1.00 73.12 H new ATOM 0 HB3 LEU A 19 -19.633 9.156 -7.498 1.00 73.12 H new ATOM 0 HG LEU A 19 -18.077 8.155 -5.980 1.00 22.13 H new ATOM 0 HD11 LEU A 19 -15.650 8.117 -6.374 1.00 21.03 H new ATOM 0 HD12 LEU A 19 -16.539 7.151 -7.575 1.00 21.03 H new ATOM 0 HD13 LEU A 19 -15.912 8.757 -8.014 1.00 21.03 H new ATOM 0 HD21 LEU A 19 -16.721 10.093 -5.310 1.00 33.42 H new ATOM 0 HD22 LEU A 19 -17.052 10.862 -6.880 1.00 33.42 H new ATOM 0 HD23 LEU A 19 -18.384 10.556 -5.740 1.00 33.42 H new ATOM 306 N VAL A 20 -20.787 6.199 -8.504 1.00 43.14 N ATOM 307 CA VAL A 20 -21.621 5.169 -7.910 1.00 33.11 C ATOM 308 C VAL A 20 -21.518 3.890 -8.744 1.00 42.51 C ATOM 309 O VAL A 20 -22.179 2.896 -8.448 1.00 0.42 O ATOM 310 CB VAL A 20 -23.058 5.676 -7.769 1.00 0.01 C ATOM 311 CG1 VAL A 20 -23.081 7.156 -7.381 1.00 34.32 C ATOM 312 CG2 VAL A 20 -23.854 5.433 -9.053 1.00 3.10 C ATOM 0 H VAL A 20 -21.192 6.658 -9.320 1.00 43.14 H new ATOM 0 HA VAL A 20 -21.274 4.930 -6.905 1.00 33.11 H new ATOM 0 HB VAL A 20 -23.535 5.112 -6.968 1.00 0.01 H new ATOM 0 HG11 VAL A 20 -24.114 7.492 -7.287 1.00 34.32 H new ATOM 0 HG12 VAL A 20 -22.568 7.291 -6.429 1.00 34.32 H new ATOM 0 HG13 VAL A 20 -22.578 7.742 -8.150 1.00 34.32 H new ATOM 0 HG21 VAL A 20 -24.872 5.803 -8.926 1.00 3.10 H new ATOM 0 HG22 VAL A 20 -23.378 5.958 -9.881 1.00 3.10 H new ATOM 0 HG23 VAL A 20 -23.880 4.365 -9.268 1.00 3.10 H new ATOM 322 N MET A 21 -20.683 3.958 -9.771 1.00 30.23 N ATOM 323 CA MET A 21 -20.484 2.818 -10.650 1.00 15.11 C ATOM 324 C MET A 21 -19.001 2.455 -10.751 1.00 15.23 C ATOM 325 O MET A 21 -18.617 1.622 -11.570 1.00 20.13 O ATOM 326 CB MET A 21 -21.026 3.147 -12.043 1.00 5.14 C ATOM 327 CG MET A 21 -22.555 3.129 -12.055 1.00 15.53 C ATOM 328 SD MET A 21 -23.149 2.794 -13.704 1.00 71.02 S ATOM 329 CE MET A 21 -22.133 3.928 -14.636 1.00 20.20 C ATOM 0 H MET A 21 -20.137 4.784 -10.014 1.00 30.23 H new ATOM 0 HA MET A 21 -21.019 1.964 -10.234 1.00 15.11 H new ATOM 0 HB2 MET A 21 -20.668 4.128 -12.354 1.00 5.14 H new ATOM 0 HB3 MET A 21 -20.645 2.425 -12.765 1.00 5.14 H new ATOM 0 HG2 MET A 21 -22.923 2.369 -11.366 1.00 15.53 H new ATOM 0 HG3 MET A 21 -22.941 4.088 -11.708 1.00 15.53 H new ATOM 0 HE1 MET A 21 -22.755 4.729 -15.036 1.00 20.20 H new ATOM 0 HE2 MET A 21 -21.369 4.352 -13.984 1.00 20.20 H new ATOM 0 HE3 MET A 21 -21.654 3.396 -15.458 1.00 20.20 H new ATOM 339 N MET A 22 -18.209 3.099 -9.906 1.00 61.33 N ATOM 340 CA MET A 22 -16.777 2.854 -9.890 1.00 43.20 C ATOM 341 C MET A 22 -16.251 2.768 -8.456 1.00 34.14 C ATOM 342 O MET A 22 -16.865 3.301 -7.533 1.00 13.42 O ATOM 343 CB MET A 22 -16.057 3.984 -10.630 1.00 74.42 C ATOM 344 CG MET A 22 -16.318 3.906 -12.136 1.00 35.12 C ATOM 345 SD MET A 22 -15.318 5.111 -12.992 1.00 64.40 S ATOM 346 CE MET A 22 -16.154 6.611 -12.505 1.00 24.42 C ATOM 0 H MET A 22 -18.532 3.790 -9.228 1.00 61.33 H new ATOM 0 HA MET A 22 -16.585 1.902 -10.386 1.00 43.20 H new ATOM 0 HB2 MET A 22 -16.395 4.947 -10.248 1.00 74.42 H new ATOM 0 HB3 MET A 22 -14.986 3.924 -10.439 1.00 74.42 H new ATOM 0 HG2 MET A 22 -16.089 2.905 -12.502 1.00 35.12 H new ATOM 0 HG3 MET A 22 -17.373 4.086 -12.340 1.00 35.12 H new ATOM 0 HE1 MET A 22 -15.877 7.418 -13.183 1.00 24.42 H new ATOM 0 HE2 MET A 22 -17.232 6.456 -12.546 1.00 24.42 H new ATOM 0 HE3 MET A 22 -15.864 6.875 -11.488 1.00 24.42 H new ATOM 356 N THR A 23 -15.121 2.092 -8.313 1.00 42.10 N ATOM 357 CA THR A 23 -14.506 1.929 -7.007 1.00 1.14 C ATOM 358 C THR A 23 -13.033 1.544 -7.155 1.00 4.41 C ATOM 359 O THR A 23 -12.468 1.643 -8.243 1.00 72.33 O ATOM 360 CB THR A 23 -15.326 0.903 -6.223 1.00 31.51 C ATOM 361 OG1 THR A 23 -14.685 0.843 -4.952 1.00 3.02 O ATOM 362 CG2 THR A 23 -15.179 -0.514 -6.781 1.00 64.33 C ATOM 0 H THR A 23 -14.615 1.650 -9.081 1.00 42.10 H new ATOM 0 HA THR A 23 -14.510 2.865 -6.449 1.00 1.14 H new ATOM 0 HB THR A 23 -16.377 1.192 -6.237 1.00 31.51 H new ATOM 0 HG1 THR A 23 -15.154 0.201 -4.379 1.00 3.02 H new ATOM 0 HG21 THR A 23 -15.781 -1.203 -6.188 1.00 64.33 H new ATOM 0 HG22 THR A 23 -15.518 -0.534 -7.817 1.00 64.33 H new ATOM 0 HG23 THR A 23 -14.133 -0.816 -6.736 1.00 64.33 H new ATOM 370 N THR A 24 -12.452 1.115 -6.044 1.00 62.54 N ATOM 371 CA THR A 24 -11.055 0.715 -6.037 1.00 62.40 C ATOM 372 C THR A 24 -10.903 -0.680 -5.426 1.00 5.55 C ATOM 373 O THR A 24 -11.713 -1.090 -4.596 1.00 52.42 O ATOM 374 CB THR A 24 -10.258 1.792 -5.299 1.00 14.23 C ATOM 375 OG1 THR A 24 -10.627 1.622 -3.933 1.00 15.21 O ATOM 376 CG2 THR A 24 -10.732 3.207 -5.639 1.00 61.22 C ATOM 0 H THR A 24 -12.923 1.036 -5.143 1.00 62.54 H new ATOM 0 HA THR A 24 -10.661 0.637 -7.050 1.00 62.40 H new ATOM 0 HB THR A 24 -9.201 1.694 -5.545 1.00 14.23 H new ATOM 0 HG1 THR A 24 -9.995 1.013 -3.497 1.00 15.21 H new ATOM 0 HG21 THR A 24 -10.134 3.933 -5.089 1.00 61.22 H new ATOM 0 HG22 THR A 24 -10.620 3.381 -6.709 1.00 61.22 H new ATOM 0 HG23 THR A 24 -11.780 3.316 -5.361 1.00 61.22 H new ATOM 384 N ARG A 25 -9.858 -1.370 -5.859 1.00 1.24 N ATOM 385 CA ARG A 25 -9.589 -2.709 -5.364 1.00 62.42 C ATOM 386 C ARG A 25 -8.358 -3.295 -6.060 1.00 0.44 C ATOM 387 O ARG A 25 -8.243 -3.232 -7.283 1.00 1.54 O ATOM 388 CB ARG A 25 -10.786 -3.633 -5.598 1.00 24.40 C ATOM 389 CG ARG A 25 -10.974 -4.595 -4.423 1.00 0.44 C ATOM 390 CD ARG A 25 -10.311 -5.944 -4.706 1.00 44.10 C ATOM 391 NE ARG A 25 -10.946 -7.002 -3.889 1.00 53.14 N ATOM 392 CZ ARG A 25 -10.327 -8.140 -3.509 1.00 43.43 C ATOM 393 NH1 ARG A 25 -9.048 -8.376 -3.870 1.00 25.41 N ATOM 394 NH2 ARG A 25 -10.991 -9.017 -2.780 1.00 44.10 N ATOM 0 H ARG A 25 -9.188 -1.027 -6.547 1.00 1.24 H new ATOM 0 HA ARG A 25 -9.404 -2.636 -4.292 1.00 62.42 H new ATOM 0 HB2 ARG A 25 -11.689 -3.037 -5.733 1.00 24.40 H new ATOM 0 HB3 ARG A 25 -10.638 -4.200 -6.517 1.00 24.40 H new ATOM 0 HG2 ARG A 25 -10.547 -4.159 -3.520 1.00 0.44 H new ATOM 0 HG3 ARG A 25 -12.038 -4.741 -4.235 1.00 0.44 H new ATOM 0 HD2 ARG A 25 -10.401 -6.188 -5.765 1.00 44.10 H new ATOM 0 HD3 ARG A 25 -9.246 -5.889 -4.481 1.00 44.10 H new ATOM 0 HE ARG A 25 -11.913 -6.863 -3.594 1.00 53.14 H new ATOM 0 HH11 ARG A 25 -8.543 -7.692 -4.434 1.00 25.41 H new ATOM 0 HH12 ARG A 25 -8.587 -9.238 -3.579 1.00 25.41 H new ATOM 0 HH21 ARG A 25 -11.957 -8.830 -2.512 1.00 44.10 H new ATOM 0 HH22 ARG A 25 -10.538 -9.882 -2.485 1.00 44.10 H new ATOM 407 N VAL A 26 -7.469 -3.851 -5.250 1.00 1.31 N ATOM 408 CA VAL A 26 -6.251 -4.447 -5.772 1.00 41.40 C ATOM 409 C VAL A 26 -6.603 -5.711 -6.558 1.00 32.33 C ATOM 410 O VAL A 26 -6.678 -6.799 -5.989 1.00 33.23 O ATOM 411 CB VAL A 26 -5.265 -4.707 -4.631 1.00 42.24 C ATOM 412 CG1 VAL A 26 -3.849 -4.925 -5.169 1.00 74.44 C ATOM 413 CG2 VAL A 26 -5.294 -3.567 -3.611 1.00 62.01 C ATOM 0 H VAL A 26 -7.568 -3.901 -4.236 1.00 1.31 H new ATOM 0 HA VAL A 26 -5.756 -3.763 -6.462 1.00 41.40 H new ATOM 0 HB VAL A 26 -5.575 -5.620 -4.122 1.00 42.24 H new ATOM 0 HG11 VAL A 26 -3.168 -5.108 -4.338 1.00 74.44 H new ATOM 0 HG12 VAL A 26 -3.843 -5.785 -5.839 1.00 74.44 H new ATOM 0 HG13 VAL A 26 -3.526 -4.038 -5.714 1.00 74.44 H new ATOM 0 HG21 VAL A 26 -4.584 -3.777 -2.811 1.00 62.01 H new ATOM 0 HG22 VAL A 26 -5.022 -2.633 -4.102 1.00 62.01 H new ATOM 0 HG23 VAL A 26 -6.297 -3.478 -3.193 1.00 62.01 H new ATOM 423 N VAL A 27 -6.810 -5.526 -7.853 1.00 70.23 N ATOM 424 CA VAL A 27 -7.153 -6.639 -8.723 1.00 3.31 C ATOM 425 C VAL A 27 -5.976 -6.932 -9.656 1.00 53.13 C ATOM 426 O VAL A 27 -5.067 -6.115 -9.790 1.00 40.53 O ATOM 427 CB VAL A 27 -8.451 -6.335 -9.474 1.00 64.21 C ATOM 428 CG1 VAL A 27 -9.566 -5.940 -8.504 1.00 43.41 C ATOM 429 CG2 VAL A 27 -8.232 -5.250 -10.530 1.00 61.23 C ATOM 0 H VAL A 27 -6.747 -4.622 -8.322 1.00 70.23 H new ATOM 0 HA VAL A 27 -7.336 -7.540 -8.138 1.00 3.31 H new ATOM 0 HB VAL A 27 -8.762 -7.245 -9.988 1.00 64.21 H new ATOM 0 HG11 VAL A 27 -10.477 -5.729 -9.064 1.00 43.41 H new ATOM 0 HG12 VAL A 27 -9.749 -6.758 -7.807 1.00 43.41 H new ATOM 0 HG13 VAL A 27 -9.267 -5.051 -7.949 1.00 43.41 H new ATOM 0 HG21 VAL A 27 -9.170 -5.053 -11.049 1.00 61.23 H new ATOM 0 HG22 VAL A 27 -7.886 -4.336 -10.047 1.00 61.23 H new ATOM 0 HG23 VAL A 27 -7.484 -5.587 -11.248 1.00 61.23 H new ATOM 439 N SER A 28 -6.032 -8.101 -10.277 1.00 53.24 N ATOM 440 CA SER A 28 -4.983 -8.512 -11.194 1.00 62.14 C ATOM 441 C SER A 28 -5.598 -9.158 -12.438 1.00 3.42 C ATOM 442 O SER A 28 -6.449 -10.038 -12.328 1.00 31.42 O ATOM 443 CB SER A 28 -4.010 -9.481 -10.519 1.00 51.02 C ATOM 444 OG SER A 28 -2.751 -9.524 -11.185 1.00 41.11 O ATOM 0 H SER A 28 -6.788 -8.777 -10.163 1.00 53.24 H new ATOM 0 HA SER A 28 -4.423 -7.626 -11.492 1.00 62.14 H new ATOM 0 HB2 SER A 28 -3.861 -9.181 -9.482 1.00 51.02 H new ATOM 0 HB3 SER A 28 -4.446 -10.480 -10.503 1.00 51.02 H new ATOM 0 HG SER A 28 -2.158 -10.152 -10.723 1.00 41.11 H new ATOM 450 N PRO A 29 -5.130 -8.682 -13.623 1.00 51.01 N ATOM 451 CA PRO A 29 -4.121 -7.637 -13.665 1.00 20.54 C ATOM 452 C PRO A 29 -4.726 -6.276 -13.317 1.00 55.15 C ATOM 453 O PRO A 29 -5.944 -6.104 -13.364 1.00 5.23 O ATOM 454 CB PRO A 29 -3.554 -7.694 -15.074 1.00 12.32 C ATOM 455 CG PRO A 29 -4.580 -8.447 -15.906 1.00 3.23 C ATOM 456 CD PRO A 29 -5.548 -9.124 -14.950 1.00 72.41 C ATOM 0 HA PRO A 29 -3.332 -7.784 -12.927 1.00 20.54 H new ATOM 0 HB2 PRO A 29 -3.390 -6.692 -15.470 1.00 12.32 H new ATOM 0 HB3 PRO A 29 -2.591 -8.204 -15.087 1.00 12.32 H new ATOM 0 HG2 PRO A 29 -5.112 -7.763 -16.567 1.00 3.23 H new ATOM 0 HG3 PRO A 29 -4.090 -9.186 -16.540 1.00 3.23 H new ATOM 0 HD2 PRO A 29 -6.578 -8.833 -15.158 1.00 72.41 H new ATOM 0 HD3 PRO A 29 -5.499 -10.209 -15.039 1.00 72.41 H new ATOM 464 N THR A 30 -3.849 -5.343 -12.978 1.00 30.12 N ATOM 465 CA THR A 30 -4.282 -4.002 -12.623 1.00 62.13 C ATOM 466 C THR A 30 -4.671 -3.218 -13.878 1.00 62.01 C ATOM 467 O THR A 30 -4.142 -3.469 -14.960 1.00 73.21 O ATOM 468 CB THR A 30 -3.162 -3.342 -11.817 1.00 1.42 C ATOM 469 OG1 THR A 30 -1.966 -3.811 -12.434 1.00 34.01 O ATOM 470 CG2 THR A 30 -3.077 -3.876 -10.386 1.00 32.23 C ATOM 0 H THR A 30 -2.840 -5.489 -12.942 1.00 30.12 H new ATOM 0 HA THR A 30 -5.178 -4.026 -12.002 1.00 62.13 H new ATOM 0 HB THR A 30 -3.320 -2.264 -11.793 1.00 1.42 H new ATOM 0 HG1 THR A 30 -1.189 -3.430 -11.974 1.00 34.01 H new ATOM 0 HG21 THR A 30 -2.266 -3.374 -9.858 1.00 32.23 H new ATOM 0 HG22 THR A 30 -4.018 -3.686 -9.870 1.00 32.23 H new ATOM 0 HG23 THR A 30 -2.886 -4.949 -10.409 1.00 32.23 H new ATOM 478 N GLY A 31 -5.592 -2.284 -13.692 1.00 3.04 N ATOM 479 CA GLY A 31 -6.058 -1.461 -14.795 1.00 64.51 C ATOM 480 C GLY A 31 -5.970 0.026 -14.446 1.00 31.42 C ATOM 481 O GLY A 31 -5.042 0.452 -13.760 1.00 52.21 O ATOM 0 H GLY A 31 -6.028 -2.079 -12.793 1.00 3.04 H new ATOM 0 HA2 GLY A 31 -5.461 -1.665 -15.683 1.00 64.51 H new ATOM 0 HA3 GLY A 31 -7.089 -1.721 -15.037 1.00 64.51 H new ATOM 485 N ILE A 32 -6.949 0.774 -14.933 1.00 62.22 N ATOM 486 CA ILE A 32 -6.994 2.204 -14.681 1.00 50.11 C ATOM 487 C ILE A 32 -6.712 2.466 -13.200 1.00 63.33 C ATOM 488 O ILE A 32 -7.165 1.716 -12.336 1.00 44.45 O ATOM 489 CB ILE A 32 -8.320 2.792 -15.168 1.00 0.34 C ATOM 490 CG1 ILE A 32 -8.459 2.651 -16.685 1.00 4.12 C ATOM 491 CG2 ILE A 32 -8.476 4.244 -14.710 1.00 75.04 C ATOM 492 CD1 ILE A 32 -9.895 2.927 -17.132 1.00 75.12 C ATOM 0 H ILE A 32 -7.717 0.417 -15.501 1.00 62.22 H new ATOM 0 HA ILE A 32 -6.217 2.716 -15.249 1.00 50.11 H new ATOM 0 HB ILE A 32 -9.133 2.222 -14.717 1.00 0.34 H new ATOM 0 HG12 ILE A 32 -7.780 3.344 -17.182 1.00 4.12 H new ATOM 0 HG13 ILE A 32 -8.167 1.646 -16.989 1.00 4.12 H new ATOM 0 HG21 ILE A 32 -9.426 4.639 -15.069 1.00 75.04 H new ATOM 0 HG22 ILE A 32 -8.454 4.286 -13.621 1.00 75.04 H new ATOM 0 HG23 ILE A 32 -7.659 4.842 -15.113 1.00 75.04 H new ATOM 0 HD11 ILE A 32 -9.966 2.820 -18.214 1.00 75.12 H new ATOM 0 HD12 ILE A 32 -10.568 2.217 -16.652 1.00 75.12 H new ATOM 0 HD13 ILE A 32 -10.176 3.941 -16.848 1.00 75.12 H new ATOM 504 N PRO A 33 -5.945 3.560 -12.946 1.00 21.21 N ATOM 505 CA PRO A 33 -5.597 3.930 -11.585 1.00 22.44 C ATOM 506 C PRO A 33 -6.792 4.557 -10.864 1.00 70.11 C ATOM 507 O PRO A 33 -7.639 5.189 -11.493 1.00 42.35 O ATOM 508 CB PRO A 33 -4.421 4.882 -11.724 1.00 44.22 C ATOM 509 CG PRO A 33 -4.450 5.373 -13.163 1.00 32.04 C ATOM 510 CD PRO A 33 -5.391 4.470 -13.944 1.00 11.32 C ATOM 0 HA PRO A 33 -5.326 3.070 -10.972 1.00 22.44 H new ATOM 0 HB2 PRO A 33 -4.508 5.714 -11.026 1.00 44.22 H new ATOM 0 HB3 PRO A 33 -3.481 4.377 -11.503 1.00 44.22 H new ATOM 0 HG2 PRO A 33 -4.790 6.408 -13.207 1.00 32.04 H new ATOM 0 HG3 PRO A 33 -3.450 5.348 -13.595 1.00 32.04 H new ATOM 0 HD2 PRO A 33 -6.176 5.046 -14.434 1.00 11.32 H new ATOM 0 HD3 PRO A 33 -4.860 3.926 -14.725 1.00 11.32 H new ATOM 518 N ALA A 34 -6.822 4.360 -9.554 1.00 55.03 N ATOM 519 CA ALA A 34 -7.900 4.899 -8.741 1.00 63.44 C ATOM 520 C ALA A 34 -7.886 6.426 -8.831 1.00 70.12 C ATOM 521 O ALA A 34 -8.860 7.082 -8.464 1.00 23.31 O ATOM 522 CB ALA A 34 -7.754 4.398 -7.303 1.00 64.11 C ATOM 0 H ALA A 34 -6.118 3.835 -9.035 1.00 55.03 H new ATOM 0 HA ALA A 34 -8.867 4.556 -9.109 1.00 63.44 H new ATOM 0 HB1 ALA A 34 -8.562 4.802 -6.693 1.00 64.11 H new ATOM 0 HB2 ALA A 34 -7.800 3.309 -7.291 1.00 64.11 H new ATOM 0 HB3 ALA A 34 -6.796 4.726 -6.899 1.00 64.11 H new ATOM 528 N GLU A 35 -6.771 6.948 -9.322 1.00 35.12 N ATOM 529 CA GLU A 35 -6.618 8.386 -9.465 1.00 31.24 C ATOM 530 C GLU A 35 -7.397 8.884 -10.684 1.00 2.23 C ATOM 531 O GLU A 35 -7.488 10.089 -10.917 1.00 21.44 O ATOM 532 CB GLU A 35 -5.141 8.773 -9.562 1.00 31.31 C ATOM 533 CG GLU A 35 -4.264 7.786 -8.788 1.00 42.33 C ATOM 534 CD GLU A 35 -3.040 8.489 -8.196 1.00 71.42 C ATOM 535 OE1 GLU A 35 -2.074 8.767 -8.922 1.00 24.44 O ATOM 536 OE2 GLU A 35 -3.117 8.747 -6.935 1.00 30.13 O ATOM 0 H GLU A 35 -5.965 6.401 -9.626 1.00 35.12 H new ATOM 0 HA GLU A 35 -7.028 8.866 -8.576 1.00 31.24 H new ATOM 0 HB2 GLU A 35 -4.835 8.794 -10.608 1.00 31.31 H new ATOM 0 HB3 GLU A 35 -4.998 9.779 -9.167 1.00 31.31 H new ATOM 0 HG2 GLU A 35 -4.846 7.326 -7.989 1.00 42.33 H new ATOM 0 HG3 GLU A 35 -3.942 6.983 -9.451 1.00 42.33 H new ATOM 544 N ASP A 36 -7.939 7.933 -11.429 1.00 63.44 N ATOM 545 CA ASP A 36 -8.707 8.260 -12.619 1.00 23.13 C ATOM 546 C ASP A 36 -10.199 8.131 -12.308 1.00 52.31 C ATOM 547 O ASP A 36 -11.041 8.417 -13.158 1.00 42.53 O ATOM 548 CB ASP A 36 -8.379 7.303 -13.767 1.00 5.42 C ATOM 549 CG ASP A 36 -6.971 7.450 -14.349 1.00 12.43 C ATOM 550 OD1 ASP A 36 -6.093 8.085 -13.745 1.00 35.10 O ATOM 551 OD2 ASP A 36 -6.789 6.872 -15.487 1.00 40.25 O ATOM 0 H ASP A 36 -7.862 6.935 -11.232 1.00 63.44 H new ATOM 0 HA ASP A 36 -8.454 9.278 -12.915 1.00 23.13 H new ATOM 0 HB2 ASP A 36 -8.505 6.279 -13.414 1.00 5.42 H new ATOM 0 HB3 ASP A 36 -9.104 7.456 -14.566 1.00 5.42 H new ATOM 557 N ILE A 37 -10.482 7.700 -11.088 1.00 10.44 N ATOM 558 CA ILE A 37 -11.858 7.530 -10.654 1.00 55.31 C ATOM 559 C ILE A 37 -12.679 8.747 -11.087 1.00 70.12 C ATOM 560 O ILE A 37 -13.745 8.601 -11.683 1.00 70.12 O ATOM 561 CB ILE A 37 -11.916 7.253 -9.151 1.00 13.15 C ATOM 562 CG1 ILE A 37 -12.003 5.751 -8.873 1.00 21.01 C ATOM 563 CG2 ILE A 37 -13.064 8.024 -8.495 1.00 5.34 C ATOM 564 CD1 ILE A 37 -12.590 5.483 -7.486 1.00 34.32 C ATOM 0 H ILE A 37 -9.781 7.463 -10.386 1.00 10.44 H new ATOM 0 HA ILE A 37 -12.303 6.658 -11.133 1.00 55.31 H new ATOM 0 HB ILE A 37 -10.989 7.611 -8.702 1.00 13.15 H new ATOM 0 HG12 ILE A 37 -12.622 5.272 -9.632 1.00 21.01 H new ATOM 0 HG13 ILE A 37 -11.010 5.306 -8.944 1.00 21.01 H new ATOM 0 HG21 ILE A 37 -13.083 7.809 -7.427 1.00 5.34 H new ATOM 0 HG22 ILE A 37 -12.918 9.093 -8.648 1.00 5.34 H new ATOM 0 HG23 ILE A 37 -14.010 7.719 -8.943 1.00 5.34 H new ATOM 0 HD11 ILE A 37 -12.641 4.408 -7.314 1.00 34.32 H new ATOM 0 HD12 ILE A 37 -11.956 5.942 -6.728 1.00 34.32 H new ATOM 0 HD13 ILE A 37 -13.592 5.908 -7.427 1.00 34.32 H new ATOM 576 N PRO A 38 -12.137 9.951 -10.762 1.00 42.13 N ATOM 577 CA PRO A 38 -12.807 11.192 -11.111 1.00 41.22 C ATOM 578 C PRO A 38 -12.664 11.492 -12.605 1.00 24.42 C ATOM 579 O PRO A 38 -13.411 12.300 -13.154 1.00 62.31 O ATOM 580 CB PRO A 38 -12.162 12.249 -10.229 1.00 34.20 C ATOM 581 CG PRO A 38 -10.846 11.652 -9.758 1.00 41.22 C ATOM 582 CD PRO A 38 -10.876 10.162 -10.057 1.00 12.22 C ATOM 0 HA PRO A 38 -13.883 11.151 -10.940 1.00 41.22 H new ATOM 0 HB2 PRO A 38 -11.996 13.172 -10.784 1.00 34.20 H new ATOM 0 HB3 PRO A 38 -12.804 12.497 -9.383 1.00 34.20 H new ATOM 0 HG2 PRO A 38 -10.008 12.127 -10.268 1.00 41.22 H new ATOM 0 HG3 PRO A 38 -10.709 11.824 -8.690 1.00 41.22 H new ATOM 0 HD2 PRO A 38 -10.025 9.864 -10.670 1.00 12.22 H new ATOM 0 HD3 PRO A 38 -10.831 9.573 -9.141 1.00 12.22 H new ATOM 590 N ARG A 39 -11.698 10.824 -13.220 1.00 33.04 N ATOM 591 CA ARG A 39 -11.448 11.008 -14.639 1.00 5.41 C ATOM 592 C ARG A 39 -12.450 10.200 -15.465 1.00 31.34 C ATOM 593 O ARG A 39 -12.802 10.591 -16.576 1.00 75.54 O ATOM 594 CB ARG A 39 -10.027 10.576 -15.008 1.00 31.01 C ATOM 595 CG ARG A 39 -8.990 11.324 -14.167 1.00 74.10 C ATOM 596 CD ARG A 39 -7.569 10.915 -14.558 1.00 41.25 C ATOM 597 NE ARG A 39 -7.213 11.510 -15.866 1.00 11.41 N ATOM 598 CZ ARG A 39 -6.350 10.953 -16.741 1.00 44.23 C ATOM 599 NH1 ARG A 39 -5.745 9.780 -16.455 1.00 53.33 N ATOM 600 NH2 ARG A 39 -6.105 11.572 -17.881 1.00 41.41 N ATOM 0 H ARG A 39 -11.080 10.155 -12.761 1.00 33.04 H new ATOM 0 HA ARG A 39 -11.563 12.069 -14.861 1.00 5.41 H new ATOM 0 HB2 ARG A 39 -9.918 9.502 -14.855 1.00 31.01 H new ATOM 0 HB3 ARG A 39 -9.848 10.767 -16.066 1.00 31.01 H new ATOM 0 HG2 ARG A 39 -9.113 12.399 -14.302 1.00 74.10 H new ATOM 0 HG3 ARG A 39 -9.155 11.115 -13.110 1.00 74.10 H new ATOM 0 HD2 ARG A 39 -6.864 11.245 -13.795 1.00 41.25 H new ATOM 0 HD3 ARG A 39 -7.496 9.829 -14.611 1.00 41.25 H new ATOM 0 HE ARG A 39 -7.647 12.397 -16.122 1.00 11.41 H new ATOM 0 HH11 ARG A 39 -5.939 9.308 -15.572 1.00 53.33 H new ATOM 0 HH12 ARG A 39 -5.094 9.366 -17.122 1.00 53.33 H new ATOM 0 HH21 ARG A 39 -6.565 12.458 -18.089 1.00 41.41 H new ATOM 0 HH22 ARG A 39 -5.455 11.164 -18.553 1.00 41.41 H new ATOM 613 N LEU A 40 -12.881 9.087 -14.889 1.00 14.12 N ATOM 614 CA LEU A 40 -13.836 8.220 -15.558 1.00 35.14 C ATOM 615 C LEU A 40 -15.238 8.820 -15.431 1.00 74.54 C ATOM 616 O LEU A 40 -16.082 8.623 -16.304 1.00 74.24 O ATOM 617 CB LEU A 40 -13.728 6.791 -15.023 1.00 35.43 C ATOM 618 CG LEU A 40 -12.593 5.943 -15.599 1.00 71.55 C ATOM 619 CD1 LEU A 40 -12.895 5.530 -17.041 1.00 70.04 C ATOM 620 CD2 LEU A 40 -11.251 6.668 -15.480 1.00 14.31 C ATOM 0 H LEU A 40 -12.586 8.766 -13.967 1.00 14.12 H new ATOM 0 HA LEU A 40 -13.612 8.155 -16.623 1.00 35.14 H new ATOM 0 HB2 LEU A 40 -13.607 6.838 -13.941 1.00 35.43 H new ATOM 0 HB3 LEU A 40 -14.671 6.280 -15.216 1.00 35.43 H new ATOM 0 HG LEU A 40 -12.518 5.029 -15.011 1.00 71.55 H new ATOM 0 HD11 LEU A 40 -12.072 4.928 -17.427 1.00 70.04 H new ATOM 0 HD12 LEU A 40 -13.815 4.946 -17.067 1.00 70.04 H new ATOM 0 HD13 LEU A 40 -13.013 6.421 -17.658 1.00 70.04 H new ATOM 0 HD21 LEU A 40 -10.461 6.043 -15.897 1.00 14.31 H new ATOM 0 HD22 LEU A 40 -11.296 7.609 -16.028 1.00 14.31 H new ATOM 0 HD23 LEU A 40 -11.038 6.869 -14.430 1.00 14.31 H new ATOM 632 N ILE A 41 -15.443 9.539 -14.338 1.00 34.11 N ATOM 633 CA ILE A 41 -16.729 10.168 -14.086 1.00 44.53 C ATOM 634 C ILE A 41 -17.153 10.964 -15.322 1.00 45.43 C ATOM 635 O ILE A 41 -16.394 11.795 -15.821 1.00 21.53 O ATOM 636 CB ILE A 41 -16.674 11.004 -12.806 1.00 34.13 C ATOM 637 CG1 ILE A 41 -16.375 10.125 -11.590 1.00 22.23 C ATOM 638 CG2 ILE A 41 -17.960 11.814 -12.625 1.00 23.04 C ATOM 639 CD1 ILE A 41 -17.666 9.708 -10.883 1.00 72.21 C ATOM 0 H ILE A 41 -14.740 9.700 -13.616 1.00 34.11 H new ATOM 0 HA ILE A 41 -17.496 9.413 -13.914 1.00 44.53 H new ATOM 0 HB ILE A 41 -15.854 11.717 -12.898 1.00 34.13 H new ATOM 0 HG12 ILE A 41 -15.826 9.238 -11.905 1.00 22.23 H new ATOM 0 HG13 ILE A 41 -15.734 10.667 -10.894 1.00 22.23 H new ATOM 0 HG21 ILE A 41 -17.895 12.399 -11.708 1.00 23.04 H new ATOM 0 HG22 ILE A 41 -18.091 12.484 -13.475 1.00 23.04 H new ATOM 0 HG23 ILE A 41 -18.811 11.136 -12.563 1.00 23.04 H new ATOM 0 HD11 ILE A 41 -17.424 9.084 -10.023 1.00 72.21 H new ATOM 0 HD12 ILE A 41 -18.201 10.597 -10.548 1.00 72.21 H new ATOM 0 HD13 ILE A 41 -18.294 9.146 -11.574 1.00 72.21 H new ATOM 651 N SER A 42 -18.363 10.683 -15.781 1.00 51.14 N ATOM 652 CA SER A 42 -18.897 11.362 -16.950 1.00 0.34 C ATOM 653 C SER A 42 -18.530 10.589 -18.218 1.00 0.02 C ATOM 654 O SER A 42 -19.258 10.632 -19.208 1.00 52.22 O ATOM 655 CB SER A 42 -18.379 12.799 -17.036 1.00 11.43 C ATOM 656 OG SER A 42 -17.200 12.895 -17.831 1.00 14.42 O ATOM 0 H SER A 42 -18.990 9.994 -15.365 1.00 51.14 H new ATOM 0 HA SER A 42 -19.982 11.400 -16.857 1.00 0.34 H new ATOM 0 HB2 SER A 42 -19.154 13.439 -17.458 1.00 11.43 H new ATOM 0 HB3 SER A 42 -18.171 13.170 -16.032 1.00 11.43 H new ATOM 0 HG SER A 42 -16.413 12.730 -17.270 1.00 14.42 H new ATOM 662 N MET A 43 -17.401 9.900 -18.146 1.00 62.41 N ATOM 663 CA MET A 43 -16.928 9.118 -19.276 1.00 72.20 C ATOM 664 C MET A 43 -17.579 7.733 -19.296 1.00 15.43 C ATOM 665 O MET A 43 -17.591 7.035 -18.283 1.00 74.34 O ATOM 666 CB MET A 43 -15.408 8.966 -19.192 1.00 32.12 C ATOM 667 CG MET A 43 -14.759 10.240 -18.647 1.00 52.13 C ATOM 668 SD MET A 43 -13.141 10.457 -19.369 1.00 11.42 S ATOM 669 CE MET A 43 -12.535 8.781 -19.280 1.00 45.02 C ATOM 0 H MET A 43 -16.800 9.867 -17.323 1.00 62.41 H new ATOM 0 HA MET A 43 -17.200 9.640 -20.193 1.00 72.20 H new ATOM 0 HB2 MET A 43 -15.158 8.122 -18.548 1.00 32.12 H new ATOM 0 HB3 MET A 43 -15.006 8.743 -20.180 1.00 32.12 H new ATOM 0 HG2 MET A 43 -15.386 11.103 -18.873 1.00 52.13 H new ATOM 0 HG3 MET A 43 -14.677 10.181 -17.562 1.00 52.13 H new ATOM 0 HE1 MET A 43 -11.510 8.784 -18.908 1.00 45.02 H new ATOM 0 HE2 MET A 43 -13.165 8.202 -18.605 1.00 45.02 H new ATOM 0 HE3 MET A 43 -12.559 8.332 -20.273 1.00 45.02 H new ATOM 679 N GLN A 44 -18.105 7.379 -20.459 1.00 34.52 N ATOM 680 CA GLN A 44 -18.757 6.090 -20.624 1.00 1.25 C ATOM 681 C GLN A 44 -17.718 5.002 -20.903 1.00 53.14 C ATOM 682 O GLN A 44 -16.520 5.278 -20.944 1.00 13.14 O ATOM 683 CB GLN A 44 -19.807 6.145 -21.735 1.00 63.11 C ATOM 684 CG GLN A 44 -20.726 7.356 -21.562 1.00 61.32 C ATOM 685 CD GLN A 44 -21.012 8.024 -22.909 1.00 23.14 C ATOM 686 OE1 GLN A 44 -20.609 9.145 -23.172 1.00 51.03 O ATOM 687 NE2 GLN A 44 -21.727 7.275 -23.743 1.00 50.11 N ATOM 0 H GLN A 44 -18.093 7.962 -21.296 1.00 34.52 H new ATOM 0 HA GLN A 44 -19.272 5.843 -19.696 1.00 1.25 H new ATOM 0 HB2 GLN A 44 -19.313 6.195 -22.705 1.00 63.11 H new ATOM 0 HB3 GLN A 44 -20.400 5.230 -21.726 1.00 63.11 H new ATOM 0 HG2 GLN A 44 -21.663 7.043 -21.101 1.00 61.32 H new ATOM 0 HG3 GLN A 44 -20.263 8.075 -20.886 1.00 61.32 H new ATOM 0 HE21 GLN A 44 -22.032 6.344 -23.458 1.00 50.11 H new ATOM 0 HE22 GLN A 44 -21.970 7.631 -24.667 1.00 50.11 H new ATOM 696 N VAL A 45 -18.215 3.788 -21.090 1.00 13.15 N ATOM 697 CA VAL A 45 -17.345 2.657 -21.364 1.00 53.34 C ATOM 698 C VAL A 45 -17.555 2.197 -22.808 1.00 74.13 C ATOM 699 O VAL A 45 -18.676 2.222 -23.315 1.00 0.31 O ATOM 700 CB VAL A 45 -17.591 1.547 -20.341 1.00 74.21 C ATOM 701 CG1 VAL A 45 -16.872 1.845 -19.024 1.00 41.53 C ATOM 702 CG2 VAL A 45 -19.089 1.335 -20.112 1.00 32.42 C ATOM 0 H VAL A 45 -19.209 3.563 -21.057 1.00 13.15 H new ATOM 0 HA VAL A 45 -16.299 2.946 -21.263 1.00 53.34 H new ATOM 0 HB VAL A 45 -17.179 0.622 -20.745 1.00 74.21 H new ATOM 0 HG11 VAL A 45 -17.064 1.040 -18.315 1.00 41.53 H new ATOM 0 HG12 VAL A 45 -15.800 1.922 -19.204 1.00 41.53 H new ATOM 0 HG13 VAL A 45 -17.239 2.786 -18.614 1.00 41.53 H new ATOM 0 HG21 VAL A 45 -19.236 0.540 -19.380 1.00 32.42 H new ATOM 0 HG22 VAL A 45 -19.534 2.258 -19.740 1.00 32.42 H new ATOM 0 HG23 VAL A 45 -19.565 1.055 -21.052 1.00 32.42 H new ATOM 712 N ASN A 46 -16.460 1.787 -23.430 1.00 62.23 N ATOM 713 CA ASN A 46 -16.510 1.321 -24.806 1.00 2.42 C ATOM 714 C ASN A 46 -16.708 -0.196 -24.820 1.00 0.35 C ATOM 715 O ASN A 46 -16.226 -0.880 -25.721 1.00 20.23 O ATOM 716 CB ASN A 46 -15.205 1.634 -25.541 1.00 11.40 C ATOM 717 CG ASN A 46 -14.037 0.846 -24.945 1.00 12.11 C ATOM 718 OD1 ASN A 46 -14.109 -0.353 -24.731 1.00 2.15 O ATOM 719 ND2 ASN A 46 -12.961 1.584 -24.690 1.00 44.10 N ATOM 0 H ASN A 46 -15.532 1.768 -23.007 1.00 62.23 H new ATOM 0 HA ASN A 46 -17.336 1.829 -25.304 1.00 2.42 H new ATOM 0 HB2 ASN A 46 -15.311 1.390 -26.598 1.00 11.40 H new ATOM 0 HB3 ASN A 46 -14.996 2.702 -25.480 1.00 11.40 H new ATOM 0 HD21 ASN A 46 -12.128 1.151 -24.291 1.00 44.10 H new ATOM 0 HD22 ASN A 46 -12.968 2.583 -24.894 1.00 44.10 H new ATOM 726 N GLN A 47 -17.418 -0.677 -23.810 1.00 12.32 N ATOM 727 CA GLN A 47 -17.686 -2.100 -23.694 1.00 71.23 C ATOM 728 C GLN A 47 -18.464 -2.391 -22.410 1.00 34.44 C ATOM 729 O GLN A 47 -18.308 -1.689 -21.412 1.00 50.32 O ATOM 730 CB GLN A 47 -16.388 -2.908 -23.744 1.00 22.22 C ATOM 731 CG GLN A 47 -16.641 -4.375 -23.389 1.00 2.33 C ATOM 732 CD GLN A 47 -15.323 -5.132 -23.216 1.00 63.33 C ATOM 733 OE1 GLN A 47 -14.494 -4.582 -22.334 1.00 21.42 O flip ATOM 734 NE2 GLN A 47 -15.075 -6.149 -23.843 1.00 44.41 N flip ATOM 0 H GLN A 47 -17.816 -0.106 -23.064 1.00 12.32 H new ATOM 0 HA GLN A 47 -18.298 -2.405 -24.543 1.00 71.23 H new ATOM 0 HB2 GLN A 47 -15.952 -2.841 -24.741 1.00 22.22 H new ATOM 0 HB3 GLN A 47 -15.663 -2.482 -23.050 1.00 22.22 H new ATOM 0 HG2 GLN A 47 -17.223 -4.435 -22.469 1.00 2.33 H new ATOM 0 HG3 GLN A 47 -17.235 -4.845 -24.173 1.00 2.33 H new ATOM 0 HE21 GLN A 47 -15.757 -6.518 -24.506 1.00 44.41 H new ATOM 0 HE22 GLN A 47 -14.186 -6.630 -23.704 1.00 44.41 H new ATOM 743 N VAL A 48 -19.286 -3.429 -22.476 1.00 11.44 N ATOM 744 CA VAL A 48 -20.089 -3.821 -21.330 1.00 71.31 C ATOM 745 C VAL A 48 -19.169 -4.326 -20.217 1.00 30.51 C ATOM 746 O VAL A 48 -18.658 -5.443 -20.288 1.00 32.12 O ATOM 747 CB VAL A 48 -21.137 -4.853 -21.754 1.00 45.21 C ATOM 748 CG1 VAL A 48 -21.560 -5.723 -20.569 1.00 62.23 C ATOM 749 CG2 VAL A 48 -22.348 -4.172 -22.395 1.00 63.52 C ATOM 0 H VAL A 48 -19.413 -4.010 -23.305 1.00 11.44 H new ATOM 0 HA VAL A 48 -20.636 -2.965 -20.936 1.00 71.31 H new ATOM 0 HB VAL A 48 -20.684 -5.504 -22.502 1.00 45.21 H new ATOM 0 HG11 VAL A 48 -22.305 -6.448 -20.897 1.00 62.23 H new ATOM 0 HG12 VAL A 48 -20.690 -6.249 -20.175 1.00 62.23 H new ATOM 0 HG13 VAL A 48 -21.986 -5.093 -19.789 1.00 62.23 H new ATOM 0 HG21 VAL A 48 -23.078 -4.927 -22.687 1.00 63.52 H new ATOM 0 HG22 VAL A 48 -22.802 -3.487 -21.679 1.00 63.52 H new ATOM 0 HG23 VAL A 48 -22.028 -3.616 -23.276 1.00 63.52 H new ATOM 759 N VAL A 49 -18.986 -3.480 -19.215 1.00 3.35 N ATOM 760 CA VAL A 49 -18.136 -3.826 -18.088 1.00 31.32 C ATOM 761 C VAL A 49 -19.010 -4.118 -16.866 1.00 51.04 C ATOM 762 O VAL A 49 -19.538 -3.199 -16.243 1.00 13.32 O ATOM 763 CB VAL A 49 -17.115 -2.714 -17.841 1.00 12.24 C ATOM 764 CG1 VAL A 49 -16.032 -3.172 -16.862 1.00 42.40 C ATOM 765 CG2 VAL A 49 -16.499 -2.233 -19.156 1.00 23.32 C ATOM 0 H VAL A 49 -19.412 -2.555 -19.159 1.00 3.35 H new ATOM 0 HA VAL A 49 -17.566 -4.730 -18.303 1.00 31.32 H new ATOM 0 HB VAL A 49 -17.639 -1.872 -17.390 1.00 12.24 H new ATOM 0 HG11 VAL A 49 -15.319 -2.363 -16.704 1.00 42.40 H new ATOM 0 HG12 VAL A 49 -16.492 -3.442 -15.911 1.00 42.40 H new ATOM 0 HG13 VAL A 49 -15.513 -4.038 -17.273 1.00 42.40 H new ATOM 0 HG21 VAL A 49 -15.777 -1.443 -18.952 1.00 23.32 H new ATOM 0 HG22 VAL A 49 -15.996 -3.066 -19.648 1.00 23.32 H new ATOM 0 HG23 VAL A 49 -17.284 -1.848 -19.806 1.00 23.32 H new ATOM 775 N PRO A 50 -19.139 -5.435 -16.553 1.00 62.10 N ATOM 776 CA PRO A 50 -19.940 -5.859 -15.417 1.00 64.44 C ATOM 777 C PRO A 50 -19.213 -5.581 -14.100 1.00 33.33 C ATOM 778 O PRO A 50 -18.017 -5.293 -14.095 1.00 34.43 O ATOM 779 CB PRO A 50 -20.201 -7.338 -15.651 1.00 21.41 C ATOM 780 CG PRO A 50 -19.156 -7.793 -16.657 1.00 40.51 C ATOM 781 CD PRO A 50 -18.528 -6.551 -17.269 1.00 24.11 C ATOM 0 HA PRO A 50 -20.878 -5.311 -15.335 1.00 64.44 H new ATOM 0 HB2 PRO A 50 -20.119 -7.901 -14.721 1.00 21.41 H new ATOM 0 HB3 PRO A 50 -21.208 -7.501 -16.034 1.00 21.41 H new ATOM 0 HG2 PRO A 50 -18.397 -8.404 -16.169 1.00 40.51 H new ATOM 0 HG3 PRO A 50 -19.613 -8.410 -17.430 1.00 40.51 H new ATOM 0 HD2 PRO A 50 -17.445 -6.554 -17.147 1.00 24.11 H new ATOM 0 HD3 PRO A 50 -18.728 -6.492 -18.339 1.00 24.11 H new ATOM 789 N MET A 51 -19.967 -5.677 -13.014 1.00 64.41 N ATOM 790 CA MET A 51 -19.410 -5.440 -11.693 1.00 45.12 C ATOM 791 C MET A 51 -18.304 -6.449 -11.375 1.00 34.04 C ATOM 792 O MET A 51 -18.379 -7.606 -11.785 1.00 23.33 O ATOM 793 CB MET A 51 -20.518 -5.549 -10.644 1.00 51.54 C ATOM 794 CG MET A 51 -19.989 -5.207 -9.250 1.00 51.50 C ATOM 795 SD MET A 51 -21.090 -5.854 -8.003 1.00 72.35 S ATOM 796 CE MET A 51 -22.585 -4.974 -8.423 1.00 13.12 C ATOM 0 H MET A 51 -20.959 -5.916 -13.022 1.00 64.41 H new ATOM 0 HA MET A 51 -18.979 -4.439 -11.676 1.00 45.12 H new ATOM 0 HB2 MET A 51 -21.335 -4.876 -10.902 1.00 51.54 H new ATOM 0 HB3 MET A 51 -20.926 -6.560 -10.644 1.00 51.54 H new ATOM 0 HG2 MET A 51 -18.991 -5.625 -9.118 1.00 51.50 H new ATOM 0 HG3 MET A 51 -19.899 -4.126 -9.142 1.00 51.50 H new ATOM 0 HE1 MET A 51 -23.421 -5.387 -7.859 1.00 13.12 H new ATOM 0 HE2 MET A 51 -22.467 -3.919 -8.177 1.00 13.12 H new ATOM 0 HE3 MET A 51 -22.781 -5.078 -9.490 1.00 13.12 H new ATOM 806 N GLY A 52 -17.305 -5.974 -10.646 1.00 51.42 N ATOM 807 CA GLY A 52 -16.186 -6.820 -10.268 1.00 11.11 C ATOM 808 C GLY A 52 -15.137 -6.871 -11.380 1.00 44.21 C ATOM 809 O GLY A 52 -14.027 -7.358 -11.170 1.00 20.05 O ATOM 0 H GLY A 52 -17.247 -5.014 -10.307 1.00 51.42 H new ATOM 0 HA2 GLY A 52 -15.732 -6.441 -9.352 1.00 11.11 H new ATOM 0 HA3 GLY A 52 -16.543 -7.827 -10.054 1.00 11.11 H new ATOM 813 N THR A 53 -15.524 -6.361 -12.540 1.00 15.12 N ATOM 814 CA THR A 53 -14.631 -6.342 -13.685 1.00 61.14 C ATOM 815 C THR A 53 -13.688 -5.140 -13.606 1.00 41.15 C ATOM 816 O THR A 53 -14.134 -3.994 -13.634 1.00 3.21 O ATOM 817 CB THR A 53 -15.487 -6.361 -14.953 1.00 52.52 C ATOM 818 OG1 THR A 53 -16.300 -7.522 -14.807 1.00 4.15 O ATOM 819 CG2 THR A 53 -14.663 -6.639 -16.212 1.00 54.42 C ATOM 0 H THR A 53 -16.445 -5.958 -12.711 1.00 15.12 H new ATOM 0 HA THR A 53 -13.986 -7.221 -13.698 1.00 61.14 H new ATOM 0 HB THR A 53 -15.999 -5.405 -15.058 1.00 52.52 H new ATOM 0 HG1 THR A 53 -17.187 -7.262 -14.480 1.00 4.15 H new ATOM 0 HG21 THR A 53 -15.319 -6.642 -17.083 1.00 54.42 H new ATOM 0 HG22 THR A 53 -13.906 -5.864 -16.330 1.00 54.42 H new ATOM 0 HG23 THR A 53 -14.176 -7.610 -16.121 1.00 54.42 H new ATOM 827 N THR A 54 -12.402 -5.443 -13.510 1.00 43.31 N ATOM 828 CA THR A 54 -11.392 -4.401 -13.427 1.00 62.30 C ATOM 829 C THR A 54 -11.602 -3.365 -14.533 1.00 32.12 C ATOM 830 O THR A 54 -11.999 -3.710 -15.645 1.00 33.35 O ATOM 831 CB THR A 54 -10.017 -5.071 -13.475 1.00 50.13 C ATOM 832 OG1 THR A 54 -9.998 -5.908 -12.322 1.00 43.31 O ATOM 833 CG2 THR A 54 -8.875 -4.081 -13.237 1.00 21.24 C ATOM 0 H THR A 54 -12.036 -6.395 -13.488 1.00 43.31 H new ATOM 0 HA THR A 54 -11.469 -3.850 -12.490 1.00 62.30 H new ATOM 0 HB THR A 54 -9.882 -5.554 -14.443 1.00 50.13 H new ATOM 0 HG1 THR A 54 -9.349 -6.630 -12.453 1.00 43.31 H new ATOM 0 HG21 THR A 54 -7.922 -4.608 -13.281 1.00 21.24 H new ATOM 0 HG22 THR A 54 -8.898 -3.307 -14.004 1.00 21.24 H new ATOM 0 HG23 THR A 54 -8.990 -3.622 -12.255 1.00 21.24 H new ATOM 841 N LEU A 55 -11.326 -2.116 -14.189 1.00 14.40 N ATOM 842 CA LEU A 55 -11.480 -1.027 -15.139 1.00 14.33 C ATOM 843 C LEU A 55 -10.181 -0.856 -15.928 1.00 23.32 C ATOM 844 O LEU A 55 -9.111 -0.697 -15.342 1.00 0.11 O ATOM 845 CB LEU A 55 -11.938 0.247 -14.424 1.00 64.43 C ATOM 846 CG LEU A 55 -13.063 1.030 -15.104 1.00 22.22 C ATOM 847 CD1 LEU A 55 -13.066 0.786 -16.614 1.00 72.40 C ATOM 848 CD2 LEU A 55 -14.417 0.707 -14.468 1.00 4.51 C ATOM 0 H LEU A 55 -10.997 -1.834 -13.266 1.00 14.40 H new ATOM 0 HA LEU A 55 -12.263 -1.259 -15.861 1.00 14.33 H new ATOM 0 HB2 LEU A 55 -12.265 -0.021 -13.419 1.00 64.43 H new ATOM 0 HB3 LEU A 55 -11.078 0.907 -14.314 1.00 64.43 H new ATOM 0 HG LEU A 55 -12.880 2.094 -14.951 1.00 22.22 H new ATOM 0 HD11 LEU A 55 -13.875 1.354 -17.073 1.00 72.40 H new ATOM 0 HD12 LEU A 55 -12.113 1.106 -17.036 1.00 72.40 H new ATOM 0 HD13 LEU A 55 -13.212 -0.276 -16.811 1.00 72.40 H new ATOM 0 HD21 LEU A 55 -15.200 1.276 -14.969 1.00 4.51 H new ATOM 0 HD22 LEU A 55 -14.622 -0.359 -14.570 1.00 4.51 H new ATOM 0 HD23 LEU A 55 -14.395 0.973 -13.411 1.00 4.51 H new ATOM 860 N MET A 56 -10.316 -0.896 -17.245 1.00 52.21 N ATOM 861 CA MET A 56 -9.166 -0.748 -18.121 1.00 0.24 C ATOM 862 C MET A 56 -9.220 0.581 -18.877 1.00 73.03 C ATOM 863 O MET A 56 -10.298 1.135 -19.089 1.00 4.41 O ATOM 864 CB MET A 56 -9.134 -1.904 -19.121 1.00 62.55 C ATOM 865 CG MET A 56 -8.995 -3.248 -18.402 1.00 43.14 C ATOM 866 SD MET A 56 -7.269 -3.636 -18.163 1.00 70.52 S ATOM 867 CE MET A 56 -7.306 -4.179 -16.463 1.00 53.01 C ATOM 0 H MET A 56 -11.205 -1.029 -17.727 1.00 52.21 H new ATOM 0 HA MET A 56 -8.263 -0.760 -17.510 1.00 0.24 H new ATOM 0 HB2 MET A 56 -10.047 -1.899 -19.717 1.00 62.55 H new ATOM 0 HB3 MET A 56 -8.301 -1.769 -19.812 1.00 62.55 H new ATOM 0 HG2 MET A 56 -9.504 -3.209 -17.439 1.00 43.14 H new ATOM 0 HG3 MET A 56 -9.476 -4.033 -18.985 1.00 43.14 H new ATOM 0 HE1 MET A 56 -6.318 -4.054 -16.020 1.00 53.01 H new ATOM 0 HE2 MET A 56 -8.031 -3.585 -15.907 1.00 53.01 H new ATOM 0 HE3 MET A 56 -7.592 -5.230 -16.423 1.00 53.01 H new ATOM 877 N PRO A 57 -8.013 1.066 -19.275 1.00 33.15 N ATOM 878 CA PRO A 57 -7.913 2.319 -20.003 1.00 73.01 C ATOM 879 C PRO A 57 -8.361 2.146 -21.456 1.00 22.11 C ATOM 880 O PRO A 57 -8.617 3.127 -22.151 1.00 40.55 O ATOM 881 CB PRO A 57 -6.456 2.733 -19.876 1.00 33.14 C ATOM 882 CG PRO A 57 -5.699 1.475 -19.482 1.00 44.31 C ATOM 883 CD PRO A 57 -6.717 0.436 -19.042 1.00 2.45 C ATOM 0 HA PRO A 57 -8.569 3.092 -19.602 1.00 73.01 H new ATOM 0 HB2 PRO A 57 -6.081 3.136 -20.817 1.00 33.14 H new ATOM 0 HB3 PRO A 57 -6.336 3.513 -19.124 1.00 33.14 H new ATOM 0 HG2 PRO A 57 -5.113 1.103 -20.323 1.00 44.31 H new ATOM 0 HG3 PRO A 57 -4.998 1.688 -18.675 1.00 44.31 H new ATOM 0 HD2 PRO A 57 -6.616 -0.485 -19.615 1.00 2.45 H new ATOM 0 HD3 PRO A 57 -6.587 0.174 -17.992 1.00 2.45 H new ATOM 891 N ASP A 58 -8.441 0.890 -21.871 1.00 54.32 N ATOM 892 CA ASP A 58 -8.854 0.576 -23.229 1.00 23.14 C ATOM 893 C ASP A 58 -10.329 0.170 -23.228 1.00 22.13 C ATOM 894 O ASP A 58 -10.833 -0.353 -24.220 1.00 61.14 O ATOM 895 CB ASP A 58 -8.042 -0.591 -23.794 1.00 74.42 C ATOM 896 CG ASP A 58 -6.714 -0.200 -24.444 1.00 63.44 C ATOM 897 OD1 ASP A 58 -5.888 -1.063 -24.778 1.00 4.11 O ATOM 898 OD2 ASP A 58 -6.539 1.067 -24.608 1.00 0.31 O ATOM 0 H ASP A 58 -8.227 0.078 -21.291 1.00 54.32 H new ATOM 0 HA ASP A 58 -8.691 1.461 -23.845 1.00 23.14 H new ATOM 0 HB2 ASP A 58 -7.841 -1.298 -22.989 1.00 74.42 H new ATOM 0 HB3 ASP A 58 -8.650 -1.114 -24.532 1.00 74.42 H new ATOM 904 N MET A 59 -10.979 0.426 -22.102 1.00 54.14 N ATOM 905 CA MET A 59 -12.387 0.094 -21.959 1.00 63.23 C ATOM 906 C MET A 59 -13.216 1.342 -21.648 1.00 61.52 C ATOM 907 O MET A 59 -14.391 1.239 -21.299 1.00 40.34 O ATOM 908 CB MET A 59 -12.558 -0.927 -20.833 1.00 33.30 C ATOM 909 CG MET A 59 -12.169 -2.331 -21.301 1.00 44.23 C ATOM 910 SD MET A 59 -12.842 -3.554 -20.190 1.00 23.35 S ATOM 911 CE MET A 59 -12.430 -2.808 -18.621 1.00 54.32 C ATOM 0 H MET A 59 -10.557 0.859 -21.281 1.00 54.14 H new ATOM 0 HA MET A 59 -12.740 -0.327 -22.900 1.00 63.23 H new ATOM 0 HB2 MET A 59 -11.942 -0.640 -19.981 1.00 33.30 H new ATOM 0 HB3 MET A 59 -13.593 -0.927 -20.492 1.00 33.30 H new ATOM 0 HG2 MET A 59 -12.540 -2.502 -22.311 1.00 44.23 H new ATOM 0 HG3 MET A 59 -11.084 -2.422 -21.341 1.00 44.23 H new ATOM 0 HE1 MET A 59 -11.770 -3.473 -18.064 1.00 54.32 H new ATOM 0 HE2 MET A 59 -11.927 -1.856 -18.792 1.00 54.32 H new ATOM 0 HE3 MET A 59 -13.342 -2.639 -18.048 1.00 54.32 H new ATOM 921 N VAL A 60 -12.571 2.491 -21.786 1.00 32.24 N ATOM 922 CA VAL A 60 -13.234 3.757 -21.524 1.00 33.14 C ATOM 923 C VAL A 60 -13.090 4.666 -22.746 1.00 20.22 C ATOM 924 O VAL A 60 -12.015 4.749 -23.339 1.00 14.15 O ATOM 925 CB VAL A 60 -12.678 4.384 -20.243 1.00 72.24 C ATOM 926 CG1 VAL A 60 -13.423 5.674 -19.897 1.00 11.44 C ATOM 927 CG2 VAL A 60 -12.730 3.391 -19.080 1.00 5.40 C ATOM 0 H VAL A 60 -11.596 2.572 -22.076 1.00 32.24 H new ATOM 0 HA VAL A 60 -14.300 3.602 -21.358 1.00 33.14 H new ATOM 0 HB VAL A 60 -11.633 4.638 -20.420 1.00 72.24 H new ATOM 0 HG11 VAL A 60 -13.009 6.099 -18.983 1.00 11.44 H new ATOM 0 HG12 VAL A 60 -13.312 6.388 -20.713 1.00 11.44 H new ATOM 0 HG13 VAL A 60 -14.480 5.455 -19.748 1.00 11.44 H new ATOM 0 HG21 VAL A 60 -12.329 3.861 -18.182 1.00 5.40 H new ATOM 0 HG22 VAL A 60 -13.763 3.092 -18.903 1.00 5.40 H new ATOM 0 HG23 VAL A 60 -12.135 2.512 -19.326 1.00 5.40 H new ATOM 937 N LYS A 61 -14.188 5.324 -23.087 1.00 1.44 N ATOM 938 CA LYS A 61 -14.197 6.224 -24.228 1.00 12.14 C ATOM 939 C LYS A 61 -13.809 7.630 -23.766 1.00 2.21 C ATOM 940 O LYS A 61 -14.186 8.056 -22.675 1.00 70.42 O ATOM 941 CB LYS A 61 -15.546 6.164 -24.947 1.00 34.34 C ATOM 942 CG LYS A 61 -16.328 4.912 -24.542 1.00 2.12 C ATOM 943 CD LYS A 61 -17.247 4.449 -25.674 1.00 45.13 C ATOM 944 CE LYS A 61 -18.653 4.149 -25.152 1.00 2.34 C ATOM 945 NZ LYS A 61 -19.649 5.021 -25.815 1.00 22.54 N ATOM 0 H LYS A 61 -15.078 5.252 -22.593 1.00 1.44 H new ATOM 0 HA LYS A 61 -13.455 5.913 -24.964 1.00 12.14 H new ATOM 0 HB2 LYS A 61 -16.129 7.054 -24.709 1.00 34.34 H new ATOM 0 HB3 LYS A 61 -15.388 6.165 -26.025 1.00 34.34 H new ATOM 0 HG2 LYS A 61 -15.633 4.113 -24.283 1.00 2.12 H new ATOM 0 HG3 LYS A 61 -16.920 5.121 -23.651 1.00 2.12 H new ATOM 0 HD2 LYS A 61 -17.298 5.219 -26.444 1.00 45.13 H new ATOM 0 HD3 LYS A 61 -16.831 3.557 -26.143 1.00 45.13 H new ATOM 0 HE2 LYS A 61 -18.899 3.103 -25.333 1.00 2.34 H new ATOM 0 HE3 LYS A 61 -18.687 4.302 -24.073 1.00 2.34 H new ATOM 0 HZ1 LYS A 61 -20.003 5.723 -25.134 1.00 22.54 H new ATOM 0 HZ2 LYS A 61 -19.203 5.511 -26.617 1.00 22.54 H new ATOM 0 HZ3 LYS A 61 -20.441 4.443 -26.160 1.00 22.54 H new ATOM 958 N GLY A 62 -13.060 8.313 -24.619 1.00 63.34 N ATOM 959 CA GLY A 62 -12.616 9.662 -24.313 1.00 30.03 C ATOM 960 C GLY A 62 -11.607 9.659 -23.163 1.00 4.21 C ATOM 961 O GLY A 62 -11.326 10.703 -22.576 1.00 13.12 O ATOM 0 H GLY A 62 -12.749 7.957 -25.523 1.00 63.34 H new ATOM 0 HA2 GLY A 62 -12.163 10.109 -25.198 1.00 30.03 H new ATOM 0 HA3 GLY A 62 -13.474 10.280 -24.047 1.00 30.03 H new ATOM 965 N TYR A 63 -11.088 8.474 -22.876 1.00 10.31 N ATOM 966 CA TYR A 63 -10.116 8.322 -21.807 1.00 22.11 C ATOM 967 C TYR A 63 -8.697 8.591 -22.313 1.00 72.55 C ATOM 968 O TYR A 63 -8.486 8.775 -23.511 1.00 75.12 O ATOM 969 CB TYR A 63 -10.215 6.865 -21.352 1.00 25.44 C ATOM 970 CG TYR A 63 -9.172 6.468 -20.305 1.00 20.24 C ATOM 971 CD1 TYR A 63 -7.925 6.031 -20.703 1.00 71.12 C ATOM 972 CD2 TYR A 63 -9.478 6.547 -18.961 1.00 75.21 C ATOM 973 CE1 TYR A 63 -6.944 5.657 -19.718 1.00 1.53 C ATOM 974 CE2 TYR A 63 -8.497 6.173 -17.976 1.00 12.44 C ATOM 975 CZ TYR A 63 -7.278 5.747 -18.402 1.00 54.15 C ATOM 976 OH TYR A 63 -6.352 5.394 -17.472 1.00 3.43 O ATOM 0 H TYR A 63 -11.322 7.610 -23.365 1.00 10.31 H new ATOM 0 HA TYR A 63 -10.319 9.027 -21.001 1.00 22.11 H new ATOM 0 HB2 TYR A 63 -11.210 6.689 -20.943 1.00 25.44 H new ATOM 0 HB3 TYR A 63 -10.108 6.216 -22.221 1.00 25.44 H new ATOM 0 HD1 TYR A 63 -7.685 5.970 -21.754 1.00 71.12 H new ATOM 0 HD2 TYR A 63 -10.453 6.889 -18.649 1.00 75.21 H new ATOM 0 HE1 TYR A 63 -5.965 5.313 -20.017 1.00 1.53 H new ATOM 0 HE2 TYR A 63 -8.724 6.230 -16.922 1.00 12.44 H new ATOM 0 HH TYR A 63 -6.483 5.928 -16.661 1.00 3.43 H new ATOM 986 N ALA A 64 -7.761 8.604 -21.376 1.00 11.10 N ATOM 987 CA ALA A 64 -6.369 8.847 -21.712 1.00 45.14 C ATOM 988 C ALA A 64 -5.606 9.251 -20.449 1.00 31.22 C ATOM 989 O ALA A 64 -6.210 9.671 -19.463 1.00 24.11 O ATOM 990 CB ALA A 64 -6.286 9.912 -22.808 1.00 71.32 C ATOM 0 H ALA A 64 -7.939 8.450 -20.384 1.00 11.10 H new ATOM 0 HA ALA A 64 -5.905 7.941 -22.102 1.00 45.14 H new ATOM 0 HB1 ALA A 64 -5.241 10.094 -23.060 1.00 71.32 H new ATOM 0 HB2 ALA A 64 -6.818 9.565 -23.694 1.00 71.32 H new ATOM 0 HB3 ALA A 64 -6.740 10.837 -22.452 1.00 71.32 H new ATOM 996 N PRO A 65 -4.256 9.105 -20.521 1.00 42.32 N ATOM 997 CA PRO A 65 -3.405 9.450 -19.395 1.00 64.12 C ATOM 998 C PRO A 65 -3.268 10.967 -19.255 1.00 53.40 C ATOM 999 O PRO A 65 -4.070 11.720 -19.807 1.00 22.22 O ATOM 1000 CB PRO A 65 -2.081 8.758 -19.677 1.00 3.13 C ATOM 1001 CG PRO A 65 -2.085 8.439 -21.163 1.00 1.01 C ATOM 1002 CD PRO A 65 -3.507 8.611 -21.673 1.00 25.25 C ATOM 0 HA PRO A 65 -3.817 9.121 -18.441 1.00 64.12 H new ATOM 0 HB2 PRO A 65 -1.241 9.402 -19.418 1.00 3.13 H new ATOM 0 HB3 PRO A 65 -1.981 7.850 -19.083 1.00 3.13 H new ATOM 0 HG2 PRO A 65 -1.405 9.102 -21.698 1.00 1.01 H new ATOM 0 HG3 PRO A 65 -1.738 7.420 -21.336 1.00 1.01 H new ATOM 0 HD2 PRO A 65 -3.547 9.316 -22.504 1.00 25.25 H new ATOM 0 HD3 PRO A 65 -3.915 7.667 -22.036 1.00 25.25 H new