USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 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 -148:sc= -1.66 USER MOD Set 1.2: A 21 MET CE :methyl -172:sc= -2.2! (180deg=-2.35) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.484 K(o=0.92,f=-12!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -156:sc= 0.441 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.023) USER MOD Single : A 4 SER OG : rot -90:sc= -0.287 USER MOD Single : A 9 GLN : amide:sc= -4.22! C(o=-4.2!,f=-4.8!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.92 USER MOD Single : A 22 MET CE :methyl -136:sc= -2.3 (180deg=-3.38) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.477 USER MOD Single : A 24 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 28 SER OG : rot 180:sc= -0.011 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 42 SER OG : rot 180:sc= -0.478 USER MOD Single : A 43 MET CE :methyl -136:sc= -5.45! (180deg=-11.1!) USER MOD Single : A 44 GLN : amide:sc= 0.0312 X(o=0.031,f=0) USER MOD Single : A 46 ASN : amide:sc= -9.95! C(o=-10!,f=-5.3!) USER MOD Single : A 47 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 102:sc= 0.17 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.14! USER MOD Single : A 56 MET CE :methyl -153:sc= -0.304 (180deg=-1.65!) USER MOD Single : A 59 MET CE :methyl -127:sc= -5.4! (180deg=-6.45!) USER MOD Single : A 63 TYR OH : rot -34:sc= 0.00077 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.214 -0.861 -5.343 1.00 73.31 N ATOM 33 CA GLN A 2 -1.816 -0.095 -6.421 1.00 14.44 C ATOM 34 C GLN A 2 -3.309 -0.412 -6.528 1.00 71.55 C ATOM 35 O GLN A 2 -3.686 -1.542 -6.835 1.00 71.44 O ATOM 36 CB GLN A 2 -1.102 -0.359 -7.747 1.00 72.24 C ATOM 37 CG GLN A 2 -1.885 0.235 -8.920 1.00 11.32 C ATOM 38 CD GLN A 2 -1.900 1.764 -8.850 1.00 34.30 C ATOM 39 OE1 GLN A 2 -0.884 2.427 -8.978 1.00 74.11 O ATOM 40 NE2 GLN A 2 -3.106 2.284 -8.640 1.00 75.33 N ATOM 0 HA GLN A 2 -1.706 0.965 -6.193 1.00 14.44 H new ATOM 0 HB2 GLN A 2 -0.101 0.073 -7.717 1.00 72.24 H new ATOM 0 HB3 GLN A 2 -0.982 -1.433 -7.892 1.00 72.24 H new ATOM 0 HG2 GLN A 2 -1.437 -0.085 -9.861 1.00 11.32 H new ATOM 0 HG3 GLN A 2 -2.907 -0.143 -8.909 1.00 11.32 H new ATOM 0 HE21 GLN A 2 -3.916 1.671 -8.542 1.00 75.33 H new ATOM 0 HE22 GLN A 2 -3.221 3.296 -8.577 1.00 75.33 H new ATOM 49 N GLU A 3 -4.118 0.604 -6.270 1.00 53.32 N ATOM 50 CA GLU A 3 -5.561 0.447 -6.334 1.00 54.34 C ATOM 51 C GLU A 3 -6.078 0.846 -7.718 1.00 43.53 C ATOM 52 O GLU A 3 -5.976 2.008 -8.111 1.00 74.43 O ATOM 53 CB GLU A 3 -6.251 1.260 -5.237 1.00 22.03 C ATOM 54 CG GLU A 3 -6.657 0.364 -4.065 1.00 0.45 C ATOM 55 CD GLU A 3 -7.705 1.052 -3.187 1.00 31.20 C ATOM 56 OE1 GLU A 3 -7.537 2.226 -2.826 1.00 14.05 O ATOM 57 OE2 GLU A 3 -8.724 0.322 -2.882 1.00 21.14 O ATOM 0 H GLU A 3 -3.802 1.540 -6.016 1.00 53.32 H new ATOM 0 HA GLU A 3 -5.799 -0.603 -6.167 1.00 54.34 H new ATOM 0 HB2 GLU A 3 -5.581 2.045 -4.885 1.00 22.03 H new ATOM 0 HB3 GLU A 3 -7.133 1.753 -5.645 1.00 22.03 H new ATOM 0 HG2 GLU A 3 -7.055 -0.577 -4.443 1.00 0.45 H new ATOM 0 HG3 GLU A 3 -5.779 0.121 -3.467 1.00 0.45 H new ATOM 65 N SER A 4 -6.620 -0.138 -8.419 1.00 70.42 N ATOM 66 CA SER A 4 -7.152 0.096 -9.751 1.00 33.42 C ATOM 67 C SER A 4 -8.679 0.179 -9.697 1.00 11.22 C ATOM 68 O SER A 4 -9.310 -0.460 -8.856 1.00 10.50 O ATOM 69 CB SER A 4 -6.715 -1.005 -10.720 1.00 1.41 C ATOM 70 OG SER A 4 -5.303 -1.201 -10.703 1.00 55.52 O ATOM 0 H SER A 4 -6.703 -1.100 -8.090 1.00 70.42 H new ATOM 0 HA SER A 4 -6.755 1.043 -10.116 1.00 33.42 H new ATOM 0 HB2 SER A 4 -7.214 -1.938 -10.458 1.00 1.41 H new ATOM 0 HB3 SER A 4 -7.033 -0.747 -11.730 1.00 1.41 H new ATOM 0 HG SER A 4 -4.884 -0.619 -11.371 1.00 55.52 H new ATOM 76 N VAL A 5 -9.229 0.972 -10.605 1.00 2.02 N ATOM 77 CA VAL A 5 -10.670 1.147 -10.671 1.00 43.53 C ATOM 78 C VAL A 5 -11.334 -0.210 -10.909 1.00 30.24 C ATOM 79 O VAL A 5 -10.844 -1.015 -11.699 1.00 71.30 O ATOM 80 CB VAL A 5 -11.022 2.181 -11.743 1.00 52.00 C ATOM 81 CG1 VAL A 5 -12.533 2.230 -11.982 1.00 24.21 C ATOM 82 CG2 VAL A 5 -10.481 3.563 -11.371 1.00 62.22 C ATOM 0 H VAL A 5 -8.703 1.500 -11.301 1.00 2.02 H new ATOM 0 HA VAL A 5 -11.052 1.534 -9.726 1.00 43.53 H new ATOM 0 HB VAL A 5 -10.545 1.874 -12.674 1.00 52.00 H new ATOM 0 HG11 VAL A 5 -12.756 2.973 -12.748 1.00 24.21 H new ATOM 0 HG12 VAL A 5 -12.881 1.251 -12.313 1.00 24.21 H new ATOM 0 HG13 VAL A 5 -13.039 2.501 -11.056 1.00 24.21 H new ATOM 0 HG21 VAL A 5 -10.745 4.279 -12.150 1.00 62.22 H new ATOM 0 HG22 VAL A 5 -10.916 3.881 -10.423 1.00 62.22 H new ATOM 0 HG23 VAL A 5 -9.396 3.515 -11.275 1.00 62.22 H new ATOM 92 N VAL A 6 -12.439 -0.422 -10.210 1.00 33.54 N ATOM 93 CA VAL A 6 -13.176 -1.669 -10.334 1.00 41.23 C ATOM 94 C VAL A 6 -14.672 -1.364 -10.432 1.00 71.34 C ATOM 95 O VAL A 6 -15.224 -0.667 -9.583 1.00 33.24 O ATOM 96 CB VAL A 6 -12.830 -2.600 -9.170 1.00 53.32 C ATOM 97 CG1 VAL A 6 -13.603 -3.916 -9.273 1.00 31.02 C ATOM 98 CG2 VAL A 6 -11.323 -2.853 -9.099 1.00 50.45 C ATOM 0 H VAL A 6 -12.842 0.248 -9.556 1.00 33.54 H new ATOM 0 HA VAL A 6 -12.890 -2.193 -11.246 1.00 41.23 H new ATOM 0 HB VAL A 6 -13.130 -2.107 -8.246 1.00 53.32 H new ATOM 0 HG11 VAL A 6 -13.339 -4.560 -8.434 1.00 31.02 H new ATOM 0 HG12 VAL A 6 -14.673 -3.712 -9.251 1.00 31.02 H new ATOM 0 HG13 VAL A 6 -13.348 -4.416 -10.208 1.00 31.02 H new ATOM 0 HG21 VAL A 6 -11.105 -3.518 -8.263 1.00 50.45 H new ATOM 0 HG22 VAL A 6 -10.988 -3.315 -10.027 1.00 50.45 H new ATOM 0 HG23 VAL A 6 -10.802 -1.907 -8.956 1.00 50.45 H new ATOM 108 N ALA A 7 -15.286 -1.902 -11.476 1.00 44.03 N ATOM 109 CA ALA A 7 -16.707 -1.697 -11.697 1.00 11.55 C ATOM 110 C ALA A 7 -17.462 -1.943 -10.389 1.00 32.02 C ATOM 111 O ALA A 7 -17.618 -3.087 -9.964 1.00 55.22 O ATOM 112 CB ALA A 7 -17.186 -2.609 -12.827 1.00 61.32 C ATOM 0 H ALA A 7 -14.825 -2.480 -12.178 1.00 44.03 H new ATOM 0 HA ALA A 7 -16.903 -0.670 -12.003 1.00 11.55 H new ATOM 0 HB1 ALA A 7 -18.252 -2.454 -12.992 1.00 61.32 H new ATOM 0 HB2 ALA A 7 -16.640 -2.374 -13.740 1.00 61.32 H new ATOM 0 HB3 ALA A 7 -17.008 -3.649 -12.555 1.00 61.32 H new ATOM 118 N ALA A 8 -17.911 -0.851 -9.787 1.00 25.32 N ATOM 119 CA ALA A 8 -18.645 -0.935 -8.536 1.00 54.51 C ATOM 120 C ALA A 8 -19.951 -1.698 -8.767 1.00 21.45 C ATOM 121 O ALA A 8 -20.495 -2.298 -7.841 1.00 31.13 O ATOM 122 CB ALA A 8 -18.883 0.474 -7.989 1.00 11.33 C ATOM 0 H ALA A 8 -17.781 0.096 -10.142 1.00 25.32 H new ATOM 0 HA ALA A 8 -18.070 -1.483 -7.789 1.00 54.51 H new ATOM 0 HB1 ALA A 8 -19.434 0.412 -7.050 1.00 11.33 H new ATOM 0 HB2 ALA A 8 -17.925 0.964 -7.816 1.00 11.33 H new ATOM 0 HB3 ALA A 8 -19.460 1.052 -8.711 1.00 11.33 H new ATOM 128 N GLN A 9 -20.416 -1.651 -10.006 1.00 63.54 N ATOM 129 CA GLN A 9 -21.647 -2.332 -10.370 1.00 51.43 C ATOM 130 C GLN A 9 -21.667 -2.626 -11.871 1.00 71.35 C ATOM 131 O GLN A 9 -20.737 -2.265 -12.591 1.00 53.30 O ATOM 132 CB GLN A 9 -22.870 -1.511 -9.956 1.00 41.54 C ATOM 133 CG GLN A 9 -22.595 -0.011 -10.092 1.00 73.52 C ATOM 134 CD GLN A 9 -23.854 0.806 -9.793 1.00 61.34 C ATOM 135 OE1 GLN A 9 -24.057 1.302 -8.698 1.00 14.13 O ATOM 136 NE2 GLN A 9 -24.684 0.917 -10.826 1.00 53.33 N ATOM 0 H GLN A 9 -19.963 -1.152 -10.771 1.00 63.54 H new ATOM 0 HA GLN A 9 -21.688 -3.280 -9.833 1.00 51.43 H new ATOM 0 HB2 GLN A 9 -23.724 -1.786 -10.576 1.00 41.54 H new ATOM 0 HB3 GLN A 9 -23.137 -1.744 -8.925 1.00 41.54 H new ATOM 0 HG2 GLN A 9 -21.797 0.280 -9.408 1.00 73.52 H new ATOM 0 HG3 GLN A 9 -22.246 0.208 -11.101 1.00 73.52 H new ATOM 0 HE21 GLN A 9 -24.452 0.476 -11.716 1.00 53.33 H new ATOM 0 HE22 GLN A 9 -25.552 1.443 -10.728 1.00 53.33 H new ATOM 145 N LEU A 10 -22.737 -3.280 -12.300 1.00 0.04 N ATOM 146 CA LEU A 10 -22.890 -3.627 -13.702 1.00 72.32 C ATOM 147 C LEU A 10 -22.868 -2.350 -14.545 1.00 31.43 C ATOM 148 O LEU A 10 -23.779 -1.528 -14.457 1.00 21.45 O ATOM 149 CB LEU A 10 -24.144 -4.479 -13.909 1.00 72.13 C ATOM 150 CG LEU A 10 -24.492 -4.819 -15.360 1.00 20.20 C ATOM 151 CD1 LEU A 10 -23.705 -6.040 -15.841 1.00 33.24 C ATOM 152 CD2 LEU A 10 -26.001 -5.005 -15.533 1.00 62.00 C ATOM 0 H LEU A 10 -23.506 -3.579 -11.700 1.00 0.04 H new ATOM 0 HA LEU A 10 -22.055 -4.243 -14.035 1.00 72.32 H new ATOM 0 HB2 LEU A 10 -24.021 -5.411 -13.358 1.00 72.13 H new ATOM 0 HB3 LEU A 10 -24.992 -3.956 -13.466 1.00 72.13 H new ATOM 0 HG LEU A 10 -24.197 -3.978 -15.988 1.00 20.20 H new ATOM 0 HD11 LEU A 10 -23.971 -6.260 -16.875 1.00 33.24 H new ATOM 0 HD12 LEU A 10 -22.637 -5.833 -15.777 1.00 33.24 H new ATOM 0 HD13 LEU A 10 -23.946 -6.898 -15.214 1.00 33.24 H new ATOM 0 HD21 LEU A 10 -26.221 -5.246 -16.573 1.00 62.00 H new ATOM 0 HD22 LEU A 10 -26.343 -5.818 -14.892 1.00 62.00 H new ATOM 0 HD23 LEU A 10 -26.515 -4.084 -15.257 1.00 62.00 H new ATOM 164 N ILE A 11 -21.818 -2.224 -15.343 1.00 21.15 N ATOM 165 CA ILE A 11 -21.665 -1.061 -16.200 1.00 72.22 C ATOM 166 C ILE A 11 -21.785 -1.493 -17.663 1.00 53.42 C ATOM 167 O ILE A 11 -20.883 -2.133 -18.201 1.00 54.24 O ATOM 168 CB ILE A 11 -20.361 -0.327 -15.881 1.00 34.25 C ATOM 169 CG1 ILE A 11 -20.357 0.179 -14.436 1.00 62.55 C ATOM 170 CG2 ILE A 11 -20.107 0.800 -16.883 1.00 63.04 C ATOM 171 CD1 ILE A 11 -18.936 0.202 -13.868 1.00 74.52 C ATOM 0 H ILE A 11 -21.065 -2.908 -15.414 1.00 21.15 H new ATOM 0 HA ILE A 11 -22.462 -0.342 -16.012 1.00 72.22 H new ATOM 0 HB ILE A 11 -19.538 -1.035 -15.977 1.00 34.25 H new ATOM 0 HG12 ILE A 11 -20.785 1.181 -14.396 1.00 62.55 H new ATOM 0 HG13 ILE A 11 -20.988 -0.462 -13.821 1.00 62.55 H new ATOM 0 HG21 ILE A 11 -19.174 1.305 -16.633 1.00 63.04 H new ATOM 0 HG22 ILE A 11 -20.037 0.384 -17.888 1.00 63.04 H new ATOM 0 HG23 ILE A 11 -20.929 1.515 -16.843 1.00 63.04 H new ATOM 0 HD11 ILE A 11 -18.961 0.565 -12.841 1.00 74.52 H new ATOM 0 HD12 ILE A 11 -18.520 -0.805 -13.887 1.00 74.52 H new ATOM 0 HD13 ILE A 11 -18.314 0.863 -14.472 1.00 74.52 H new ATOM 183 N PRO A 12 -22.936 -1.115 -18.281 1.00 53.32 N ATOM 184 CA PRO A 12 -23.186 -1.456 -19.671 1.00 51.44 C ATOM 185 C PRO A 12 -22.354 -0.579 -20.609 1.00 41.41 C ATOM 186 O PRO A 12 -21.725 0.383 -20.170 1.00 53.33 O ATOM 187 CB PRO A 12 -24.683 -1.272 -19.859 1.00 12.33 C ATOM 188 CG PRO A 12 -25.143 -0.394 -18.706 1.00 43.31 C ATOM 189 CD PRO A 12 -24.026 -0.356 -17.675 1.00 55.23 C ATOM 0 HA PRO A 12 -22.890 -2.477 -19.913 1.00 51.44 H new ATOM 0 HB2 PRO A 12 -24.901 -0.803 -20.818 1.00 12.33 H new ATOM 0 HB3 PRO A 12 -25.199 -2.232 -19.849 1.00 12.33 H new ATOM 0 HG2 PRO A 12 -25.371 0.612 -19.059 1.00 43.31 H new ATOM 0 HG3 PRO A 12 -26.057 -0.791 -18.264 1.00 43.31 H new ATOM 0 HD2 PRO A 12 -23.722 0.668 -17.458 1.00 55.23 H new ATOM 0 HD3 PRO A 12 -24.342 -0.802 -16.732 1.00 55.23 H new ATOM 197 N ILE A 13 -22.377 -0.942 -21.883 1.00 51.10 N ATOM 198 CA ILE A 13 -21.633 -0.200 -22.886 1.00 63.05 C ATOM 199 C ILE A 13 -22.319 1.145 -23.134 1.00 34.31 C ATOM 200 O ILE A 13 -23.544 1.242 -23.068 1.00 62.25 O ATOM 201 CB ILE A 13 -21.454 -1.041 -24.152 1.00 31.42 C ATOM 202 CG1 ILE A 13 -20.641 -0.284 -25.204 1.00 14.32 C ATOM 203 CG2 ILE A 13 -22.806 -1.506 -24.697 1.00 12.30 C ATOM 204 CD1 ILE A 13 -20.461 -1.126 -26.468 1.00 51.25 C ATOM 0 H ILE A 13 -22.899 -1.740 -22.244 1.00 51.10 H new ATOM 0 HA ILE A 13 -20.626 0.016 -22.529 1.00 63.05 H new ATOM 0 HB ILE A 13 -20.888 -1.935 -23.891 1.00 31.42 H new ATOM 0 HG12 ILE A 13 -21.143 0.651 -25.454 1.00 14.32 H new ATOM 0 HG13 ILE A 13 -19.665 -0.022 -24.795 1.00 14.32 H new ATOM 0 HG21 ILE A 13 -22.650 -2.102 -25.597 1.00 12.30 H new ATOM 0 HG22 ILE A 13 -23.313 -2.110 -23.945 1.00 12.30 H new ATOM 0 HG23 ILE A 13 -23.419 -0.638 -24.938 1.00 12.30 H new ATOM 0 HD11 ILE A 13 -19.880 -0.565 -27.199 1.00 51.25 H new ATOM 0 HD12 ILE A 13 -19.937 -2.049 -26.219 1.00 51.25 H new ATOM 0 HD13 ILE A 13 -21.438 -1.366 -26.888 1.00 51.25 H new ATOM 216 N ASN A 14 -21.501 2.148 -23.413 1.00 42.41 N ATOM 217 CA ASN A 14 -22.014 3.483 -23.671 1.00 10.24 C ATOM 218 C ASN A 14 -22.707 4.010 -22.412 1.00 72.15 C ATOM 219 O ASN A 14 -23.629 4.820 -22.500 1.00 70.41 O ATOM 220 CB ASN A 14 -23.040 3.469 -24.805 1.00 53.21 C ATOM 221 CG ASN A 14 -22.386 3.827 -26.141 1.00 61.31 C ATOM 222 OD1 ASN A 14 -21.901 4.927 -26.350 1.00 34.22 O ATOM 223 ND2 ASN A 14 -22.399 2.839 -27.031 1.00 63.33 N ATOM 0 H ASN A 14 -20.486 2.064 -23.466 1.00 42.41 H new ATOM 0 HA ASN A 14 -21.175 4.119 -23.953 1.00 10.24 H new ATOM 0 HB2 ASN A 14 -23.498 2.482 -24.873 1.00 53.21 H new ATOM 0 HB3 ASN A 14 -23.839 4.177 -24.586 1.00 53.21 H new ATOM 0 HD21 ASN A 14 -21.986 2.978 -27.953 1.00 63.33 H new ATOM 0 HD22 ASN A 14 -22.822 1.942 -26.791 1.00 63.33 H new ATOM 230 N THR A 15 -22.237 3.529 -21.271 1.00 62.01 N ATOM 231 CA THR A 15 -22.800 3.941 -19.997 1.00 1.24 C ATOM 232 C THR A 15 -21.866 4.930 -19.296 1.00 11.10 C ATOM 233 O THR A 15 -20.774 4.561 -18.866 1.00 74.41 O ATOM 234 CB THR A 15 -23.079 2.682 -19.174 1.00 14.12 C ATOM 235 OG1 THR A 15 -23.870 1.871 -20.038 1.00 63.34 O ATOM 236 CG2 THR A 15 -23.995 2.955 -17.979 1.00 31.23 C ATOM 0 H THR A 15 -21.472 2.858 -21.202 1.00 62.01 H new ATOM 0 HA THR A 15 -23.742 4.473 -20.134 1.00 1.24 H new ATOM 0 HB THR A 15 -22.137 2.263 -18.821 1.00 14.12 H new ATOM 0 HG1 THR A 15 -24.694 2.348 -20.270 1.00 63.34 H new ATOM 0 HG21 THR A 15 -24.161 2.029 -17.429 1.00 31.23 H new ATOM 0 HG22 THR A 15 -23.527 3.688 -17.322 1.00 31.23 H new ATOM 0 HG23 THR A 15 -24.950 3.342 -18.334 1.00 31.23 H new ATOM 244 N ALA A 16 -22.329 6.168 -19.203 1.00 35.23 N ATOM 245 CA ALA A 16 -21.549 7.213 -18.562 1.00 34.34 C ATOM 246 C ALA A 16 -21.142 6.752 -17.160 1.00 54.34 C ATOM 247 O ALA A 16 -21.987 6.625 -16.275 1.00 41.22 O ATOM 248 CB ALA A 16 -22.358 8.511 -18.537 1.00 11.33 C ATOM 0 H ALA A 16 -23.235 6.471 -19.561 1.00 35.23 H new ATOM 0 HA ALA A 16 -20.635 7.409 -19.123 1.00 34.34 H new ATOM 0 HB1 ALA A 16 -21.773 9.295 -18.056 1.00 11.33 H new ATOM 0 HB2 ALA A 16 -22.597 8.811 -19.557 1.00 11.33 H new ATOM 0 HB3 ALA A 16 -23.281 8.354 -17.980 1.00 11.33 H new ATOM 254 N LEU A 17 -19.848 6.515 -17.003 1.00 35.01 N ATOM 255 CA LEU A 17 -19.319 6.071 -15.724 1.00 52.44 C ATOM 256 C LEU A 17 -19.711 7.076 -14.639 1.00 34.31 C ATOM 257 O LEU A 17 -19.858 8.266 -14.913 1.00 30.21 O ATOM 258 CB LEU A 17 -17.812 5.830 -15.823 1.00 45.33 C ATOM 259 CG LEU A 17 -17.374 4.689 -16.743 1.00 62.14 C ATOM 260 CD1 LEU A 17 -15.882 4.787 -17.066 1.00 65.43 C ATOM 261 CD2 LEU A 17 -17.743 3.330 -16.145 1.00 60.01 C ATOM 0 H LEU A 17 -19.150 6.622 -17.740 1.00 35.01 H new ATOM 0 HA LEU A 17 -19.754 5.112 -15.443 1.00 52.44 H new ATOM 0 HB2 LEU A 17 -17.339 6.750 -16.167 1.00 45.33 H new ATOM 0 HB3 LEU A 17 -17.430 5.630 -14.822 1.00 45.33 H new ATOM 0 HG LEU A 17 -17.914 4.783 -17.685 1.00 62.14 H new ATOM 0 HD11 LEU A 17 -15.597 3.964 -17.721 1.00 65.43 H new ATOM 0 HD12 LEU A 17 -15.679 5.735 -17.564 1.00 65.43 H new ATOM 0 HD13 LEU A 17 -15.305 4.732 -16.143 1.00 65.43 H new ATOM 0 HD21 LEU A 17 -17.421 2.536 -16.819 1.00 60.01 H new ATOM 0 HD22 LEU A 17 -17.249 3.210 -15.181 1.00 60.01 H new ATOM 0 HD23 LEU A 17 -18.823 3.274 -16.009 1.00 60.01 H new ATOM 273 N THR A 18 -19.870 6.559 -13.429 1.00 52.12 N ATOM 274 CA THR A 18 -20.243 7.396 -12.301 1.00 63.21 C ATOM 275 C THR A 18 -19.537 6.921 -11.029 1.00 74.22 C ATOM 276 O THR A 18 -19.061 5.789 -10.965 1.00 61.31 O ATOM 277 CB THR A 18 -21.769 7.387 -12.189 1.00 65.13 C ATOM 278 OG1 THR A 18 -22.111 6.004 -12.224 1.00 11.12 O ATOM 279 CG2 THR A 18 -22.450 7.971 -13.429 1.00 21.44 C ATOM 0 H THR A 18 -19.747 5.571 -13.205 1.00 52.12 H new ATOM 0 HA THR A 18 -19.920 8.427 -12.449 1.00 63.21 H new ATOM 0 HB THR A 18 -22.072 7.953 -11.308 1.00 65.13 H new ATOM 0 HG1 THR A 18 -22.985 5.894 -12.654 1.00 11.12 H new ATOM 0 HG21 THR A 18 -23.532 7.941 -13.298 1.00 21.44 H new ATOM 0 HG22 THR A 18 -22.130 9.004 -13.568 1.00 21.44 H new ATOM 0 HG23 THR A 18 -22.174 7.385 -14.306 1.00 21.44 H new ATOM 287 N LEU A 19 -19.493 7.810 -10.048 1.00 51.32 N ATOM 288 CA LEU A 19 -18.854 7.496 -8.782 1.00 10.34 C ATOM 289 C LEU A 19 -19.640 6.387 -8.080 1.00 14.44 C ATOM 290 O LEU A 19 -19.143 5.767 -7.141 1.00 41.30 O ATOM 291 CB LEU A 19 -18.688 8.761 -7.937 1.00 43.43 C ATOM 292 CG LEU A 19 -17.665 8.680 -6.802 1.00 12.40 C ATOM 293 CD1 LEU A 19 -16.330 8.130 -7.305 1.00 65.24 C ATOM 294 CD2 LEU A 19 -17.503 10.037 -6.113 1.00 22.44 C ATOM 0 H LEU A 19 -19.890 8.748 -10.104 1.00 51.32 H new ATOM 0 HA LEU A 19 -17.846 7.117 -8.948 1.00 10.34 H new ATOM 0 HB2 LEU A 19 -18.404 9.580 -8.597 1.00 43.43 H new ATOM 0 HB3 LEU A 19 -19.657 9.018 -7.509 1.00 43.43 H new ATOM 0 HG LEU A 19 -18.039 7.981 -6.054 1.00 12.40 H new ATOM 0 HD11 LEU A 19 -15.621 8.083 -6.478 1.00 65.24 H new ATOM 0 HD12 LEU A 19 -16.479 7.130 -7.713 1.00 65.24 H new ATOM 0 HD13 LEU A 19 -15.937 8.784 -8.083 1.00 65.24 H new ATOM 0 HD21 LEU A 19 -16.771 9.952 -5.310 1.00 22.44 H new ATOM 0 HD22 LEU A 19 -17.162 10.775 -6.839 1.00 22.44 H new ATOM 0 HD23 LEU A 19 -18.461 10.351 -5.698 1.00 22.44 H new ATOM 306 N VAL A 20 -20.856 6.171 -8.562 1.00 5.55 N ATOM 307 CA VAL A 20 -21.716 5.148 -7.992 1.00 4.10 C ATOM 308 C VAL A 20 -21.590 3.865 -8.816 1.00 44.44 C ATOM 309 O VAL A 20 -22.247 2.868 -8.523 1.00 61.23 O ATOM 310 CB VAL A 20 -23.154 5.663 -7.903 1.00 43.05 C ATOM 311 CG1 VAL A 20 -23.184 7.135 -7.486 1.00 74.34 C ATOM 312 CG2 VAL A 20 -23.894 5.452 -9.226 1.00 1.12 C ATOM 0 H VAL A 20 -21.265 6.687 -9.341 1.00 5.55 H new ATOM 0 HA VAL A 20 -21.406 4.912 -6.974 1.00 4.10 H new ATOM 0 HB VAL A 20 -23.670 5.087 -7.135 1.00 43.05 H new ATOM 0 HG11 VAL A 20 -24.218 7.476 -7.430 1.00 74.34 H new ATOM 0 HG12 VAL A 20 -22.712 7.246 -6.510 1.00 74.34 H new ATOM 0 HG13 VAL A 20 -22.644 7.732 -8.220 1.00 74.34 H new ATOM 0 HG21 VAL A 20 -24.914 5.826 -9.136 1.00 1.12 H new ATOM 0 HG22 VAL A 20 -23.378 5.990 -10.021 1.00 1.12 H new ATOM 0 HG23 VAL A 20 -23.918 4.389 -9.464 1.00 1.12 H new ATOM 322 N MET A 21 -20.740 3.933 -9.831 1.00 55.12 N ATOM 323 CA MET A 21 -20.520 2.790 -10.700 1.00 61.40 C ATOM 324 C MET A 21 -19.033 2.439 -10.778 1.00 24.13 C ATOM 325 O MET A 21 -18.634 1.578 -11.560 1.00 73.54 O ATOM 326 CB MET A 21 -21.044 3.105 -12.102 1.00 72.03 C ATOM 327 CG MET A 21 -22.573 3.063 -12.138 1.00 52.31 C ATOM 328 SD MET A 21 -23.135 2.666 -13.785 1.00 43.43 S ATOM 329 CE MET A 21 -22.056 3.718 -14.742 1.00 40.44 C ATOM 0 H MET A 21 -20.196 4.762 -10.070 1.00 55.12 H new ATOM 0 HA MET A 21 -21.055 1.935 -10.286 1.00 61.40 H new ATOM 0 HB2 MET A 21 -20.696 4.091 -12.411 1.00 72.03 H new ATOM 0 HB3 MET A 21 -20.640 2.386 -12.815 1.00 72.03 H new ATOM 0 HG2 MET A 21 -22.941 2.320 -11.430 1.00 52.31 H new ATOM 0 HG3 MET A 21 -22.979 4.026 -11.829 1.00 52.31 H new ATOM 0 HE1 MET A 21 -22.366 3.703 -15.787 1.00 40.44 H new ATOM 0 HE2 MET A 21 -22.111 4.738 -14.362 1.00 40.44 H new ATOM 0 HE3 MET A 21 -21.031 3.356 -14.662 1.00 40.44 H new ATOM 339 N MET A 22 -18.252 3.124 -9.955 1.00 40.34 N ATOM 340 CA MET A 22 -16.817 2.896 -9.921 1.00 73.02 C ATOM 341 C MET A 22 -16.296 2.897 -8.483 1.00 11.33 C ATOM 342 O MET A 22 -16.927 3.463 -7.591 1.00 25.13 O ATOM 343 CB MET A 22 -16.107 3.989 -10.723 1.00 32.33 C ATOM 344 CG MET A 22 -16.368 3.827 -12.222 1.00 34.44 C ATOM 345 SD MET A 22 -15.256 4.868 -13.151 1.00 61.23 S ATOM 346 CE MET A 22 -15.856 6.476 -12.663 1.00 51.51 C ATOM 0 H MET A 22 -18.586 3.837 -9.307 1.00 40.34 H new ATOM 0 HA MET A 22 -16.612 1.920 -10.361 1.00 73.02 H new ATOM 0 HB2 MET A 22 -16.453 4.969 -10.394 1.00 32.33 H new ATOM 0 HB3 MET A 22 -15.035 3.948 -10.530 1.00 32.33 H new ATOM 0 HG2 MET A 22 -16.232 2.785 -12.513 1.00 34.44 H new ATOM 0 HG3 MET A 22 -17.401 4.090 -12.450 1.00 34.44 H new ATOM 0 HE1 MET A 22 -15.923 7.121 -13.539 1.00 51.51 H new ATOM 0 HE2 MET A 22 -16.843 6.374 -12.211 1.00 51.51 H new ATOM 0 HE3 MET A 22 -15.170 6.916 -11.940 1.00 51.51 H new ATOM 356 N THR A 23 -15.150 2.258 -8.302 1.00 30.51 N ATOM 357 CA THR A 23 -14.537 2.178 -6.987 1.00 22.20 C ATOM 358 C THR A 23 -13.056 1.814 -7.110 1.00 61.14 C ATOM 359 O THR A 23 -12.435 2.066 -8.142 1.00 2.23 O ATOM 360 CB THR A 23 -15.340 1.180 -6.151 1.00 31.25 C ATOM 361 OG1 THR A 23 -14.788 1.299 -4.842 1.00 45.35 O ATOM 362 CG2 THR A 23 -15.059 -0.272 -6.542 1.00 75.34 C ATOM 0 H THR A 23 -14.629 1.791 -9.044 1.00 30.51 H new ATOM 0 HA THR A 23 -14.561 3.143 -6.480 1.00 22.20 H new ATOM 0 HB THR A 23 -16.404 1.387 -6.264 1.00 31.25 H new ATOM 0 HG1 THR A 23 -15.253 0.687 -4.234 1.00 45.35 H new ATOM 0 HG21 THR A 23 -15.654 -0.939 -5.918 1.00 75.34 H new ATOM 0 HG22 THR A 23 -15.321 -0.424 -7.589 1.00 75.34 H new ATOM 0 HG23 THR A 23 -14.001 -0.489 -6.398 1.00 75.34 H new ATOM 370 N THR A 24 -12.533 1.227 -6.044 1.00 60.41 N ATOM 371 CA THR A 24 -11.137 0.825 -6.020 1.00 4.40 C ATOM 372 C THR A 24 -10.988 -0.551 -5.369 1.00 75.22 C ATOM 373 O THR A 24 -11.809 -0.941 -4.539 1.00 65.14 O ATOM 374 CB THR A 24 -10.342 1.922 -5.309 1.00 2.40 C ATOM 375 OG1 THR A 24 -10.743 1.814 -3.946 1.00 23.41 O ATOM 376 CG2 THR A 24 -10.788 3.328 -5.718 1.00 34.43 C ATOM 0 H THR A 24 -13.051 1.020 -5.190 1.00 60.41 H new ATOM 0 HA THR A 24 -10.740 0.716 -7.029 1.00 4.40 H new ATOM 0 HB THR A 24 -9.281 1.800 -5.527 1.00 2.40 H new ATOM 0 HG1 THR A 24 -10.154 1.183 -3.481 1.00 23.41 H new ATOM 0 HG21 THR A 24 -10.192 4.068 -5.184 1.00 34.43 H new ATOM 0 HG22 THR A 24 -10.649 3.456 -6.792 1.00 34.43 H new ATOM 0 HG23 THR A 24 -11.841 3.462 -5.470 1.00 34.43 H new ATOM 384 N ARG A 25 -9.937 -1.250 -5.770 1.00 44.22 N ATOM 385 CA ARG A 25 -9.670 -2.575 -5.236 1.00 54.24 C ATOM 386 C ARG A 25 -8.448 -3.188 -5.923 1.00 73.00 C ATOM 387 O ARG A 25 -8.305 -3.096 -7.141 1.00 41.32 O ATOM 388 CB ARG A 25 -10.874 -3.499 -5.432 1.00 22.25 C ATOM 389 CG ARG A 25 -11.002 -4.486 -4.269 1.00 4.41 C ATOM 390 CD ARG A 25 -10.326 -5.817 -4.603 1.00 23.12 C ATOM 391 NE ARG A 25 -10.935 -6.907 -3.808 1.00 62.14 N ATOM 392 CZ ARG A 25 -10.296 -8.049 -3.475 1.00 0.42 C ATOM 393 NH1 ARG A 25 -9.021 -8.259 -3.865 1.00 61.41 N ATOM 394 NH2 ARG A 25 -10.937 -8.956 -2.762 1.00 1.24 N ATOM 0 H ARG A 25 -9.259 -0.924 -6.459 1.00 44.22 H new ATOM 0 HA ARG A 25 -9.476 -2.470 -4.169 1.00 54.24 H new ATOM 0 HB2 ARG A 25 -11.784 -2.905 -5.511 1.00 22.25 H new ATOM 0 HB3 ARG A 25 -10.768 -4.047 -6.369 1.00 22.25 H new ATOM 0 HG2 ARG A 25 -10.550 -4.059 -3.374 1.00 4.41 H new ATOM 0 HG3 ARG A 25 -12.055 -4.655 -4.045 1.00 4.41 H new ATOM 0 HD2 ARG A 25 -10.429 -6.030 -5.667 1.00 23.12 H new ATOM 0 HD3 ARG A 25 -9.258 -5.755 -4.393 1.00 23.12 H new ATOM 0 HE ARG A 25 -11.897 -6.788 -3.492 1.00 62.14 H new ATOM 0 HH11 ARG A 25 -8.533 -7.552 -4.415 1.00 61.41 H new ATOM 0 HH12 ARG A 25 -8.545 -9.124 -3.609 1.00 61.41 H new ATOM 0 HH21 ARG A 25 -11.900 -8.789 -2.471 1.00 1.24 H new ATOM 0 HH22 ARG A 25 -10.469 -9.824 -2.502 1.00 1.24 H new ATOM 407 N VAL A 26 -7.599 -3.800 -5.112 1.00 23.54 N ATOM 408 CA VAL A 26 -6.394 -4.429 -5.626 1.00 4.22 C ATOM 409 C VAL A 26 -6.774 -5.685 -6.411 1.00 71.51 C ATOM 410 O VAL A 26 -7.033 -6.735 -5.823 1.00 42.53 O ATOM 411 CB VAL A 26 -5.421 -4.712 -4.479 1.00 50.00 C ATOM 412 CG1 VAL A 26 -4.019 -5.013 -5.011 1.00 44.23 C ATOM 413 CG2 VAL A 26 -5.393 -3.550 -3.485 1.00 4.44 C ATOM 0 H VAL A 26 -7.721 -3.874 -4.102 1.00 23.54 H new ATOM 0 HA VAL A 26 -5.878 -3.760 -6.314 1.00 4.22 H new ATOM 0 HB VAL A 26 -5.775 -5.597 -3.950 1.00 50.00 H new ATOM 0 HG11 VAL A 26 -3.347 -5.210 -4.175 1.00 44.23 H new ATOM 0 HG12 VAL A 26 -4.056 -5.887 -5.661 1.00 44.23 H new ATOM 0 HG13 VAL A 26 -3.653 -4.156 -5.576 1.00 44.23 H new ATOM 0 HG21 VAL A 26 -4.694 -3.777 -2.680 1.00 4.44 H new ATOM 0 HG22 VAL A 26 -5.075 -2.641 -3.996 1.00 4.44 H new ATOM 0 HG23 VAL A 26 -6.390 -3.403 -3.069 1.00 4.44 H new ATOM 423 N VAL A 27 -6.796 -5.538 -7.728 1.00 10.24 N ATOM 424 CA VAL A 27 -7.141 -6.648 -8.600 1.00 4.05 C ATOM 425 C VAL A 27 -5.969 -6.934 -9.541 1.00 52.44 C ATOM 426 O VAL A 27 -5.050 -6.124 -9.658 1.00 74.23 O ATOM 427 CB VAL A 27 -8.444 -6.346 -9.341 1.00 52.32 C ATOM 428 CG1 VAL A 27 -9.556 -5.963 -8.362 1.00 60.13 C ATOM 429 CG2 VAL A 27 -8.237 -5.252 -10.391 1.00 0.34 C ATOM 0 H VAL A 27 -6.580 -4.667 -8.212 1.00 10.24 H new ATOM 0 HA VAL A 27 -7.318 -7.552 -8.017 1.00 4.05 H new ATOM 0 HB VAL A 27 -8.752 -7.254 -9.859 1.00 52.32 H new ATOM 0 HG11 VAL A 27 -10.471 -5.753 -8.915 1.00 60.13 H new ATOM 0 HG12 VAL A 27 -9.731 -6.787 -7.670 1.00 60.13 H new ATOM 0 HG13 VAL A 27 -9.259 -5.076 -7.803 1.00 60.13 H new ATOM 0 HG21 VAL A 27 -9.179 -5.057 -10.903 1.00 0.34 H new ATOM 0 HG22 VAL A 27 -7.893 -4.340 -9.903 1.00 0.34 H new ATOM 0 HG23 VAL A 27 -7.491 -5.579 -11.115 1.00 0.34 H new ATOM 439 N SER A 28 -6.040 -8.087 -10.189 1.00 70.22 N ATOM 440 CA SER A 28 -4.997 -8.490 -11.117 1.00 41.32 C ATOM 441 C SER A 28 -5.619 -9.143 -12.353 1.00 32.55 C ATOM 442 O SER A 28 -6.462 -10.031 -12.231 1.00 63.45 O ATOM 443 CB SER A 28 -4.007 -9.448 -10.451 1.00 51.34 C ATOM 444 OG SER A 28 -2.697 -9.327 -10.999 1.00 20.30 O ATOM 0 H SER A 28 -6.804 -8.755 -10.090 1.00 70.22 H new ATOM 0 HA SER A 28 -4.449 -7.599 -11.423 1.00 41.32 H new ATOM 0 HB2 SER A 28 -3.972 -9.247 -9.380 1.00 51.34 H new ATOM 0 HB3 SER A 28 -4.357 -10.473 -10.572 1.00 51.34 H new ATOM 0 HG SER A 28 -2.094 -9.953 -10.547 1.00 20.30 H new ATOM 450 N PRO A 29 -5.168 -8.667 -13.544 1.00 15.43 N ATOM 451 CA PRO A 29 -4.169 -7.613 -13.598 1.00 70.44 C ATOM 452 C PRO A 29 -4.783 -6.256 -13.248 1.00 23.40 C ATOM 453 O PRO A 29 -6.002 -6.096 -13.280 1.00 2.52 O ATOM 454 CB PRO A 29 -3.617 -7.668 -15.013 1.00 61.14 C ATOM 455 CG PRO A 29 -4.644 -8.432 -15.833 1.00 34.04 C ATOM 456 CD PRO A 29 -5.597 -9.116 -14.865 1.00 43.23 C ATOM 0 HA PRO A 29 -3.372 -7.751 -12.867 1.00 70.44 H new ATOM 0 HB2 PRO A 29 -3.466 -6.665 -15.412 1.00 61.14 H new ATOM 0 HB3 PRO A 29 -2.649 -8.169 -15.035 1.00 61.14 H new ATOM 0 HG2 PRO A 29 -5.189 -7.754 -16.490 1.00 34.04 H new ATOM 0 HG3 PRO A 29 -4.153 -9.168 -16.470 1.00 34.04 H new ATOM 0 HD2 PRO A 29 -6.631 -8.835 -15.062 1.00 43.23 H new ATOM 0 HD3 PRO A 29 -5.539 -10.201 -14.953 1.00 43.23 H new ATOM 464 N THR A 30 -3.910 -5.315 -12.922 1.00 2.42 N ATOM 465 CA THR A 30 -4.351 -3.976 -12.566 1.00 25.50 C ATOM 466 C THR A 30 -4.712 -3.182 -13.823 1.00 34.43 C ATOM 467 O THR A 30 -4.149 -3.413 -14.891 1.00 64.41 O ATOM 468 CB THR A 30 -3.248 -3.322 -11.730 1.00 75.43 C ATOM 469 OG1 THR A 30 -2.040 -3.799 -12.316 1.00 2.42 O ATOM 470 CG2 THR A 30 -3.204 -3.857 -10.298 1.00 34.45 C ATOM 0 H THR A 30 -2.900 -5.452 -12.897 1.00 2.42 H new ATOM 0 HA THR A 30 -5.260 -4.005 -11.966 1.00 25.50 H new ATOM 0 HB THR A 30 -3.399 -2.243 -11.710 1.00 75.43 H new ATOM 0 HG1 THR A 30 -1.273 -3.423 -11.836 1.00 2.42 H new ATOM 0 HG21 THR A 30 -2.404 -3.360 -9.748 1.00 34.45 H new ATOM 0 HG22 THR A 30 -4.157 -3.662 -9.807 1.00 34.45 H new ATOM 0 HG23 THR A 30 -3.019 -4.931 -10.316 1.00 34.45 H new ATOM 478 N GLY A 31 -5.651 -2.263 -13.653 1.00 31.01 N ATOM 479 CA GLY A 31 -6.095 -1.433 -14.760 1.00 71.42 C ATOM 480 C GLY A 31 -6.012 0.051 -14.401 1.00 4.53 C ATOM 481 O GLY A 31 -5.092 0.474 -13.702 1.00 22.23 O ATOM 0 H GLY A 31 -6.117 -2.075 -12.765 1.00 31.01 H new ATOM 0 HA2 GLY A 31 -5.481 -1.633 -15.638 1.00 71.42 H new ATOM 0 HA3 GLY A 31 -7.121 -1.690 -15.023 1.00 71.42 H new ATOM 485 N ILE A 32 -6.984 0.803 -14.895 1.00 75.20 N ATOM 486 CA ILE A 32 -7.033 2.232 -14.635 1.00 24.53 C ATOM 487 C ILE A 32 -6.770 2.484 -13.149 1.00 22.13 C ATOM 488 O ILE A 32 -7.246 1.738 -12.295 1.00 32.41 O ATOM 489 CB ILE A 32 -8.352 2.823 -15.135 1.00 42.21 C ATOM 490 CG1 ILE A 32 -8.450 2.733 -16.659 1.00 40.13 C ATOM 491 CG2 ILE A 32 -8.535 4.257 -14.633 1.00 33.33 C ATOM 492 CD1 ILE A 32 -9.882 2.988 -17.133 1.00 14.15 C ATOM 0 H ILE A 32 -7.745 0.449 -15.475 1.00 75.20 H new ATOM 0 HA ILE A 32 -6.249 2.748 -15.190 1.00 24.53 H new ATOM 0 HB ILE A 32 -9.170 2.231 -14.724 1.00 42.21 H new ATOM 0 HG12 ILE A 32 -7.778 3.461 -17.114 1.00 40.13 H new ATOM 0 HG13 ILE A 32 -8.124 1.747 -16.990 1.00 40.13 H new ATOM 0 HG21 ILE A 32 -9.480 4.654 -15.003 1.00 33.33 H new ATOM 0 HG22 ILE A 32 -8.540 4.263 -13.543 1.00 33.33 H new ATOM 0 HG23 ILE A 32 -7.715 4.877 -14.995 1.00 33.33 H new ATOM 0 HD11 ILE A 32 -9.923 2.918 -18.220 1.00 14.15 H new ATOM 0 HD12 ILE A 32 -10.548 2.244 -16.696 1.00 14.15 H new ATOM 0 HD13 ILE A 32 -10.197 3.984 -16.821 1.00 14.15 H new ATOM 504 N PRO A 33 -5.992 3.566 -12.878 1.00 53.53 N ATOM 505 CA PRO A 33 -5.660 3.927 -11.510 1.00 75.43 C ATOM 506 C PRO A 33 -6.858 4.567 -10.806 1.00 51.50 C ATOM 507 O PRO A 33 -7.645 5.276 -11.432 1.00 61.22 O ATOM 508 CB PRO A 33 -4.469 4.864 -11.628 1.00 74.40 C ATOM 509 CG PRO A 33 -4.470 5.360 -13.065 1.00 30.12 C ATOM 510 CD PRO A 33 -5.411 4.473 -13.864 1.00 3.01 C ATOM 0 HA PRO A 33 -5.409 3.062 -10.896 1.00 75.43 H new ATOM 0 HB2 PRO A 33 -4.555 5.695 -10.928 1.00 74.40 H new ATOM 0 HB3 PRO A 33 -3.539 4.345 -11.394 1.00 74.40 H new ATOM 0 HG2 PRO A 33 -4.795 6.399 -13.110 1.00 30.12 H new ATOM 0 HG3 PRO A 33 -3.464 5.323 -13.482 1.00 30.12 H new ATOM 0 HD2 PRO A 33 -6.181 5.061 -14.363 1.00 3.01 H new ATOM 0 HD3 PRO A 33 -4.876 3.925 -14.639 1.00 3.01 H new ATOM 518 N ALA A 34 -6.958 4.296 -9.513 1.00 75.22 N ATOM 519 CA ALA A 34 -8.047 4.837 -8.717 1.00 2.10 C ATOM 520 C ALA A 34 -7.987 6.366 -8.752 1.00 20.45 C ATOM 521 O ALA A 34 -8.984 7.036 -8.488 1.00 33.51 O ATOM 522 CB ALA A 34 -7.963 4.282 -7.294 1.00 11.45 C ATOM 0 H ALA A 34 -6.303 3.709 -8.997 1.00 75.22 H new ATOM 0 HA ALA A 34 -9.011 4.536 -9.128 1.00 2.10 H new ATOM 0 HB1 ALA A 34 -8.780 4.687 -6.697 1.00 11.45 H new ATOM 0 HB2 ALA A 34 -8.039 3.195 -7.322 1.00 11.45 H new ATOM 0 HB3 ALA A 34 -7.010 4.568 -6.848 1.00 11.45 H new ATOM 528 N GLU A 35 -6.807 6.872 -9.079 1.00 15.51 N ATOM 529 CA GLU A 35 -6.605 8.309 -9.151 1.00 45.54 C ATOM 530 C GLU A 35 -7.333 8.888 -10.366 1.00 34.11 C ATOM 531 O GLU A 35 -7.368 10.103 -10.553 1.00 44.11 O ATOM 532 CB GLU A 35 -5.114 8.651 -9.193 1.00 2.33 C ATOM 533 CG GLU A 35 -4.299 7.651 -8.370 1.00 10.43 C ATOM 534 CD GLU A 35 -3.162 8.353 -7.624 1.00 33.15 C ATOM 535 OE1 GLU A 35 -3.406 9.015 -6.604 1.00 22.35 O ATOM 536 OE2 GLU A 35 -1.991 8.191 -8.138 1.00 64.12 O ATOM 0 H GLU A 35 -5.982 6.313 -9.297 1.00 15.51 H new ATOM 0 HA GLU A 35 -7.024 8.760 -8.252 1.00 45.54 H new ATOM 0 HB2 GLU A 35 -4.765 8.647 -10.226 1.00 2.33 H new ATOM 0 HB3 GLU A 35 -4.957 9.658 -8.807 1.00 2.33 H new ATOM 0 HG2 GLU A 35 -4.950 7.146 -7.656 1.00 10.43 H new ATOM 0 HG3 GLU A 35 -3.889 6.883 -9.026 1.00 10.43 H new ATOM 544 N ASP A 36 -7.898 7.990 -11.160 1.00 14.22 N ATOM 545 CA ASP A 36 -8.625 8.396 -12.351 1.00 44.21 C ATOM 546 C ASP A 36 -10.126 8.237 -12.107 1.00 35.32 C ATOM 547 O ASP A 36 -10.930 8.410 -13.022 1.00 2.41 O ATOM 548 CB ASP A 36 -8.246 7.525 -13.551 1.00 3.44 C ATOM 549 CG ASP A 36 -6.779 7.616 -13.978 1.00 54.11 C ATOM 550 OD1 ASP A 36 -6.395 7.127 -15.051 1.00 35.42 O ATOM 551 OD2 ASP A 36 -6.006 8.229 -13.147 1.00 31.41 O ATOM 0 H ASP A 36 -7.867 6.983 -11.002 1.00 14.22 H new ATOM 0 HA ASP A 36 -8.370 9.434 -12.564 1.00 44.21 H new ATOM 0 HB2 ASP A 36 -8.476 6.486 -13.314 1.00 3.44 H new ATOM 0 HB3 ASP A 36 -8.873 7.806 -14.397 1.00 3.44 H new ATOM 557 N ILE A 37 -10.460 7.908 -10.867 1.00 73.15 N ATOM 558 CA ILE A 37 -11.852 7.723 -10.491 1.00 64.02 C ATOM 559 C ILE A 37 -12.670 8.923 -10.974 1.00 24.43 C ATOM 560 O ILE A 37 -13.706 8.754 -11.614 1.00 15.45 O ATOM 561 CB ILE A 37 -11.970 7.462 -8.988 1.00 40.42 C ATOM 562 CG1 ILE A 37 -12.070 5.963 -8.698 1.00 2.42 C ATOM 563 CG2 ILE A 37 -13.141 8.242 -8.387 1.00 74.12 C ATOM 564 CD1 ILE A 37 -12.756 5.710 -7.354 1.00 72.22 C ATOM 0 H ILE A 37 -9.791 7.765 -10.110 1.00 73.15 H new ATOM 0 HA ILE A 37 -12.265 6.839 -10.978 1.00 64.02 H new ATOM 0 HB ILE A 37 -11.061 7.823 -8.506 1.00 40.42 H new ATOM 0 HG12 ILE A 37 -12.629 5.471 -9.494 1.00 2.42 H new ATOM 0 HG13 ILE A 37 -11.073 5.523 -8.690 1.00 2.42 H new ATOM 0 HG21 ILE A 37 -13.203 8.039 -7.318 1.00 74.12 H new ATOM 0 HG22 ILE A 37 -12.987 9.309 -8.545 1.00 74.12 H new ATOM 0 HG23 ILE A 37 -14.069 7.934 -8.869 1.00 74.12 H new ATOM 0 HD11 ILE A 37 -12.815 4.637 -7.172 1.00 72.22 H new ATOM 0 HD12 ILE A 37 -12.181 6.183 -6.557 1.00 72.22 H new ATOM 0 HD13 ILE A 37 -13.762 6.130 -7.374 1.00 72.22 H new ATOM 576 N PRO A 38 -12.159 10.138 -10.640 1.00 11.13 N ATOM 577 CA PRO A 38 -12.831 11.365 -11.032 1.00 1.31 C ATOM 578 C PRO A 38 -12.627 11.650 -12.521 1.00 41.22 C ATOM 579 O PRO A 38 -13.273 12.534 -13.082 1.00 72.10 O ATOM 580 CB PRO A 38 -12.240 12.441 -10.135 1.00 33.11 C ATOM 581 CG PRO A 38 -10.937 11.869 -9.601 1.00 33.04 C ATOM 582 CD PRO A 38 -10.933 10.375 -9.883 1.00 14.42 C ATOM 0 HA PRO A 38 -13.912 11.311 -10.907 1.00 1.31 H new ATOM 0 HB2 PRO A 38 -12.063 13.361 -10.693 1.00 33.11 H new ATOM 0 HB3 PRO A 38 -12.921 12.688 -9.321 1.00 33.11 H new ATOM 0 HG2 PRO A 38 -10.084 12.350 -10.080 1.00 33.04 H new ATOM 0 HG3 PRO A 38 -10.848 12.056 -8.531 1.00 33.04 H new ATOM 0 HD2 PRO A 38 -10.052 10.082 -10.454 1.00 14.42 H new ATOM 0 HD3 PRO A 38 -10.920 9.797 -8.959 1.00 14.42 H new ATOM 590 N ARG A 39 -11.726 10.885 -13.119 1.00 61.04 N ATOM 591 CA ARG A 39 -11.429 11.044 -14.533 1.00 22.01 C ATOM 592 C ARG A 39 -12.402 10.218 -15.376 1.00 71.21 C ATOM 593 O ARG A 39 -12.806 10.642 -16.458 1.00 35.14 O ATOM 594 CB ARG A 39 -9.996 10.608 -14.847 1.00 11.41 C ATOM 595 CG ARG A 39 -8.982 11.565 -14.217 1.00 43.35 C ATOM 596 CD ARG A 39 -7.675 11.581 -15.014 1.00 14.00 C ATOM 597 NE ARG A 39 -7.378 10.225 -15.526 1.00 33.42 N ATOM 598 CZ ARG A 39 -6.589 9.974 -16.592 1.00 72.11 C ATOM 599 NH1 ARG A 39 -6.010 10.988 -17.270 1.00 13.15 N ATOM 600 NH2 ARG A 39 -6.392 8.722 -16.962 1.00 52.35 N ATOM 0 H ARG A 39 -11.192 10.153 -12.651 1.00 61.04 H new ATOM 0 HA ARG A 39 -11.537 12.101 -14.778 1.00 22.01 H new ATOM 0 HB2 ARG A 39 -9.829 9.598 -14.473 1.00 11.41 H new ATOM 0 HB3 ARG A 39 -9.850 10.577 -15.927 1.00 11.41 H new ATOM 0 HG2 ARG A 39 -9.401 12.571 -14.178 1.00 43.35 H new ATOM 0 HG3 ARG A 39 -8.782 11.263 -13.189 1.00 43.35 H new ATOM 0 HD2 ARG A 39 -7.754 12.283 -15.844 1.00 14.00 H new ATOM 0 HD3 ARG A 39 -6.858 11.927 -14.381 1.00 14.00 H new ATOM 0 HE ARG A 39 -7.796 9.430 -15.043 1.00 33.42 H new ATOM 0 HH11 ARG A 39 -6.167 11.952 -16.978 1.00 13.15 H new ATOM 0 HH12 ARG A 39 -5.415 10.790 -18.074 1.00 13.15 H new ATOM 0 HH21 ARG A 39 -6.833 7.962 -16.444 1.00 52.35 H new ATOM 0 HH22 ARG A 39 -5.799 8.515 -17.765 1.00 52.35 H new ATOM 613 N LEU A 40 -12.750 9.053 -14.849 1.00 53.12 N ATOM 614 CA LEU A 40 -13.669 8.164 -15.540 1.00 24.21 C ATOM 615 C LEU A 40 -15.090 8.718 -15.428 1.00 12.34 C ATOM 616 O LEU A 40 -15.929 8.464 -16.290 1.00 53.13 O ATOM 617 CB LEU A 40 -13.524 6.733 -15.018 1.00 25.04 C ATOM 618 CG LEU A 40 -12.321 5.946 -15.543 1.00 74.23 C ATOM 619 CD1 LEU A 40 -12.424 5.733 -17.055 1.00 20.02 C ATOM 620 CD2 LEU A 40 -11.007 6.622 -15.148 1.00 15.35 C ATOM 0 H LEU A 40 -12.412 8.704 -13.952 1.00 53.12 H new ATOM 0 HA LEU A 40 -13.428 8.118 -16.602 1.00 24.21 H new ATOM 0 HB2 LEU A 40 -13.463 6.769 -13.930 1.00 25.04 H new ATOM 0 HB3 LEU A 40 -14.431 6.182 -15.269 1.00 25.04 H new ATOM 0 HG LEU A 40 -12.328 4.961 -15.077 1.00 74.23 H new ATOM 0 HD11 LEU A 40 -11.557 5.171 -17.403 1.00 20.02 H new ATOM 0 HD12 LEU A 40 -13.333 5.176 -17.283 1.00 20.02 H new ATOM 0 HD13 LEU A 40 -12.456 6.700 -17.557 1.00 20.02 H new ATOM 0 HD21 LEU A 40 -10.169 6.042 -15.534 1.00 15.35 H new ATOM 0 HD22 LEU A 40 -10.975 7.628 -15.567 1.00 15.35 H new ATOM 0 HD23 LEU A 40 -10.939 6.679 -14.062 1.00 15.35 H new ATOM 632 N ILE A 41 -15.317 9.465 -14.357 1.00 42.42 N ATOM 633 CA ILE A 41 -16.622 10.058 -14.121 1.00 13.00 C ATOM 634 C ILE A 41 -17.019 10.906 -15.331 1.00 11.21 C ATOM 635 O ILE A 41 -16.234 11.727 -15.802 1.00 42.14 O ATOM 636 CB ILE A 41 -16.629 10.830 -12.800 1.00 32.11 C ATOM 637 CG1 ILE A 41 -16.312 9.905 -11.623 1.00 13.11 C ATOM 638 CG2 ILE A 41 -17.953 11.572 -12.606 1.00 10.05 C ATOM 639 CD1 ILE A 41 -17.582 9.549 -10.848 1.00 14.44 C ATOM 0 H ILE A 41 -14.619 9.673 -13.643 1.00 42.42 H new ATOM 0 HA ILE A 41 -17.379 9.281 -14.014 1.00 13.00 H new ATOM 0 HB ILE A 41 -15.841 11.582 -12.839 1.00 32.11 H new ATOM 0 HG12 ILE A 41 -15.838 8.994 -11.989 1.00 13.11 H new ATOM 0 HG13 ILE A 41 -15.599 10.390 -10.956 1.00 13.11 H new ATOM 0 HG21 ILE A 41 -17.932 12.113 -11.660 1.00 10.05 H new ATOM 0 HG22 ILE A 41 -18.098 12.278 -13.424 1.00 10.05 H new ATOM 0 HG23 ILE A 41 -18.774 10.855 -12.596 1.00 10.05 H new ATOM 0 HD11 ILE A 41 -17.329 8.891 -10.017 1.00 14.44 H new ATOM 0 HD12 ILE A 41 -18.041 10.460 -10.463 1.00 14.44 H new ATOM 0 HD13 ILE A 41 -18.283 9.042 -11.511 1.00 14.44 H new ATOM 651 N SER A 42 -18.238 10.679 -15.799 1.00 24.31 N ATOM 652 CA SER A 42 -18.748 11.412 -16.945 1.00 31.21 C ATOM 653 C SER A 42 -18.332 10.713 -18.241 1.00 32.22 C ATOM 654 O SER A 42 -18.865 11.010 -19.309 1.00 63.20 O ATOM 655 CB SER A 42 -18.251 12.859 -16.939 1.00 60.31 C ATOM 656 OG SER A 42 -18.268 13.424 -15.631 1.00 20.20 O ATOM 0 H SER A 42 -18.887 9.998 -15.405 1.00 24.31 H new ATOM 0 HA SER A 42 -19.836 11.430 -16.883 1.00 31.21 H new ATOM 0 HB2 SER A 42 -17.237 12.896 -17.336 1.00 60.31 H new ATOM 0 HB3 SER A 42 -18.875 13.459 -17.601 1.00 60.31 H new ATOM 0 HG SER A 42 -17.942 14.347 -15.669 1.00 20.20 H new ATOM 662 N MET A 43 -17.384 9.797 -18.104 1.00 13.33 N ATOM 663 CA MET A 43 -16.891 9.054 -19.250 1.00 62.43 C ATOM 664 C MET A 43 -17.531 7.666 -19.320 1.00 62.44 C ATOM 665 O MET A 43 -17.510 6.918 -18.344 1.00 3.44 O ATOM 666 CB MET A 43 -15.371 8.911 -19.150 1.00 62.44 C ATOM 667 CG MET A 43 -14.744 10.153 -18.513 1.00 70.43 C ATOM 668 SD MET A 43 -13.154 10.482 -19.254 1.00 2.10 S ATOM 669 CE MET A 43 -12.574 8.812 -19.500 1.00 74.21 C ATOM 0 H MET A 43 -16.945 9.553 -17.216 1.00 13.33 H new ATOM 0 HA MET A 43 -17.155 9.601 -20.155 1.00 62.43 H new ATOM 0 HB2 MET A 43 -15.123 8.030 -18.558 1.00 62.44 H new ATOM 0 HB3 MET A 43 -14.951 8.756 -20.144 1.00 62.44 H new ATOM 0 HG2 MET A 43 -15.402 11.012 -18.647 1.00 70.43 H new ATOM 0 HG3 MET A 43 -14.630 10.003 -17.439 1.00 70.43 H new ATOM 0 HE1 MET A 43 -11.530 8.741 -19.196 1.00 74.21 H new ATOM 0 HE2 MET A 43 -13.174 8.127 -18.901 1.00 74.21 H new ATOM 0 HE3 MET A 43 -12.664 8.547 -20.553 1.00 74.21 H new ATOM 679 N GLN A 44 -18.085 7.363 -20.485 1.00 63.42 N ATOM 680 CA GLN A 44 -18.730 6.078 -20.696 1.00 24.45 C ATOM 681 C GLN A 44 -17.682 4.996 -20.968 1.00 51.20 C ATOM 682 O GLN A 44 -16.485 5.277 -20.982 1.00 65.32 O ATOM 683 CB GLN A 44 -19.747 6.155 -21.835 1.00 71.14 C ATOM 684 CG GLN A 44 -20.674 7.360 -21.663 1.00 5.32 C ATOM 685 CD GLN A 44 -20.981 8.013 -23.012 1.00 5.51 C ATOM 686 OE1 GLN A 44 -20.420 9.033 -23.379 1.00 10.21 O ATOM 687 NE2 GLN A 44 -21.899 7.371 -23.727 1.00 54.14 N ATOM 0 H GLN A 44 -18.100 7.986 -21.293 1.00 63.42 H new ATOM 0 HA GLN A 44 -19.271 5.812 -19.788 1.00 24.45 H new ATOM 0 HB2 GLN A 44 -19.225 6.227 -22.789 1.00 71.14 H new ATOM 0 HB3 GLN A 44 -20.337 5.239 -21.863 1.00 71.14 H new ATOM 0 HG2 GLN A 44 -21.603 7.044 -21.188 1.00 5.32 H new ATOM 0 HG3 GLN A 44 -20.209 8.089 -20.999 1.00 5.32 H new ATOM 0 HE21 GLN A 44 -22.329 6.522 -23.360 1.00 54.14 H new ATOM 0 HE22 GLN A 44 -22.173 7.727 -24.643 1.00 54.14 H new ATOM 696 N VAL A 45 -18.171 3.783 -21.178 1.00 33.14 N ATOM 697 CA VAL A 45 -17.292 2.658 -21.449 1.00 12.21 C ATOM 698 C VAL A 45 -17.505 2.186 -22.889 1.00 22.04 C ATOM 699 O VAL A 45 -18.627 2.206 -23.393 1.00 24.41 O ATOM 700 CB VAL A 45 -17.523 1.553 -20.417 1.00 33.42 C ATOM 701 CG1 VAL A 45 -16.864 1.902 -19.082 1.00 4.55 C ATOM 702 CG2 VAL A 45 -19.017 1.276 -20.235 1.00 11.12 C ATOM 0 H VAL A 45 -19.165 3.554 -21.166 1.00 33.14 H new ATOM 0 HA VAL A 45 -16.248 2.957 -21.356 1.00 12.21 H new ATOM 0 HB VAL A 45 -17.056 0.642 -20.792 1.00 33.42 H new ATOM 0 HG11 VAL A 45 -17.044 1.099 -18.367 1.00 4.55 H new ATOM 0 HG12 VAL A 45 -15.791 2.025 -19.227 1.00 4.55 H new ATOM 0 HG13 VAL A 45 -17.287 2.831 -18.699 1.00 4.55 H new ATOM 0 HG21 VAL A 45 -19.153 0.486 -19.496 1.00 11.12 H new ATOM 0 HG22 VAL A 45 -19.516 2.183 -19.893 1.00 11.12 H new ATOM 0 HG23 VAL A 45 -19.447 0.961 -21.186 1.00 11.12 H new ATOM 712 N ASN A 46 -16.410 1.773 -23.510 1.00 21.32 N ATOM 713 CA ASN A 46 -16.462 1.296 -24.881 1.00 54.35 C ATOM 714 C ASN A 46 -16.670 -0.220 -24.883 1.00 2.43 C ATOM 715 O ASN A 46 -16.169 -0.918 -25.763 1.00 3.41 O ATOM 716 CB ASN A 46 -15.156 1.595 -25.619 1.00 5.23 C ATOM 717 CG ASN A 46 -13.963 0.961 -24.900 1.00 31.20 C ATOM 718 OD1 ASN A 46 -13.781 -0.246 -24.891 1.00 3.50 O ATOM 719 ND2 ASN A 46 -13.164 1.838 -24.300 1.00 0.23 N ATOM 0 H ASN A 46 -15.481 1.759 -23.089 1.00 21.32 H new ATOM 0 HA ASN A 46 -17.284 1.805 -25.383 1.00 54.35 H new ATOM 0 HB2 ASN A 46 -15.215 1.214 -26.639 1.00 5.23 H new ATOM 0 HB3 ASN A 46 -15.012 2.673 -25.689 1.00 5.23 H new ATOM 0 HD21 ASN A 46 -12.340 1.514 -23.793 1.00 0.23 H new ATOM 0 HD22 ASN A 46 -13.375 2.835 -24.347 1.00 0.23 H new ATOM 726 N GLN A 47 -17.409 -0.684 -23.887 1.00 34.45 N ATOM 727 CA GLN A 47 -17.689 -2.105 -23.762 1.00 12.34 C ATOM 728 C GLN A 47 -18.468 -2.381 -22.474 1.00 53.01 C ATOM 729 O GLN A 47 -18.301 -1.676 -21.480 1.00 31.31 O ATOM 730 CB GLN A 47 -16.398 -2.924 -23.808 1.00 30.14 C ATOM 731 CG GLN A 47 -16.662 -4.384 -23.435 1.00 62.52 C ATOM 732 CD GLN A 47 -15.349 -5.150 -23.255 1.00 13.12 C ATOM 733 OE1 GLN A 47 -15.111 -6.177 -23.868 1.00 65.30 O ATOM 734 NE2 GLN A 47 -14.514 -4.594 -22.381 1.00 54.14 N ATOM 0 H GLN A 47 -17.823 -0.102 -23.159 1.00 34.45 H new ATOM 0 HA GLN A 47 -18.304 -2.410 -24.608 1.00 12.34 H new ATOM 0 HB2 GLN A 47 -15.966 -2.873 -24.807 1.00 30.14 H new ATOM 0 HB3 GLN A 47 -15.667 -2.496 -23.122 1.00 30.14 H new ATOM 0 HG2 GLN A 47 -17.242 -4.428 -22.513 1.00 62.52 H new ATOM 0 HG3 GLN A 47 -17.261 -4.859 -24.212 1.00 62.52 H new ATOM 0 HE21 GLN A 47 -14.776 -3.732 -21.902 1.00 54.14 H new ATOM 0 HE22 GLN A 47 -13.612 -5.029 -22.190 1.00 54.14 H new ATOM 743 N VAL A 48 -19.303 -3.408 -22.534 1.00 71.12 N ATOM 744 CA VAL A 48 -20.108 -3.786 -21.385 1.00 74.13 C ATOM 745 C VAL A 48 -19.193 -4.306 -20.275 1.00 40.10 C ATOM 746 O VAL A 48 -18.692 -5.427 -20.352 1.00 53.23 O ATOM 747 CB VAL A 48 -21.175 -4.800 -21.805 1.00 22.14 C ATOM 748 CG1 VAL A 48 -21.587 -5.682 -20.624 1.00 62.13 C ATOM 749 CG2 VAL A 48 -22.389 -4.098 -22.415 1.00 14.33 C ATOM 0 H VAL A 48 -19.439 -3.990 -23.360 1.00 71.12 H new ATOM 0 HA VAL A 48 -20.639 -2.920 -20.989 1.00 74.13 H new ATOM 0 HB VAL A 48 -20.742 -5.445 -22.570 1.00 22.14 H new ATOM 0 HG11 VAL A 48 -22.346 -6.394 -20.949 1.00 62.13 H new ATOM 0 HG12 VAL A 48 -20.717 -6.224 -20.253 1.00 62.13 H new ATOM 0 HG13 VAL A 48 -21.992 -5.058 -19.828 1.00 62.13 H new ATOM 0 HG21 VAL A 48 -23.132 -4.841 -22.705 1.00 14.33 H new ATOM 0 HG22 VAL A 48 -22.823 -3.418 -21.682 1.00 14.33 H new ATOM 0 HG23 VAL A 48 -22.079 -3.533 -23.294 1.00 14.33 H new ATOM 759 N VAL A 49 -19.002 -3.466 -19.268 1.00 30.51 N ATOM 760 CA VAL A 49 -18.156 -3.827 -18.143 1.00 64.13 C ATOM 761 C VAL A 49 -19.032 -4.119 -16.924 1.00 13.02 C ATOM 762 O VAL A 49 -19.565 -3.200 -16.304 1.00 31.14 O ATOM 763 CB VAL A 49 -17.125 -2.725 -17.889 1.00 15.21 C ATOM 764 CG1 VAL A 49 -16.058 -3.191 -16.897 1.00 43.52 C ATOM 765 CG2 VAL A 49 -16.490 -2.256 -19.199 1.00 42.42 C ATOM 0 H VAL A 49 -19.418 -2.537 -19.208 1.00 30.51 H new ATOM 0 HA VAL A 49 -17.594 -4.735 -18.364 1.00 64.13 H new ATOM 0 HB VAL A 49 -17.645 -1.875 -17.446 1.00 15.21 H new ATOM 0 HG11 VAL A 49 -15.338 -2.389 -16.734 1.00 43.52 H new ATOM 0 HG12 VAL A 49 -16.531 -3.452 -15.950 1.00 43.52 H new ATOM 0 HG13 VAL A 49 -15.544 -4.064 -17.299 1.00 43.52 H new ATOM 0 HG21 VAL A 49 -15.761 -1.473 -18.990 1.00 42.42 H new ATOM 0 HG22 VAL A 49 -15.991 -3.096 -19.683 1.00 42.42 H new ATOM 0 HG23 VAL A 49 -17.264 -1.865 -19.859 1.00 42.42 H new ATOM 775 N PRO A 50 -19.158 -5.436 -16.608 1.00 40.12 N ATOM 776 CA PRO A 50 -19.961 -5.860 -15.474 1.00 62.41 C ATOM 777 C PRO A 50 -19.239 -5.578 -14.155 1.00 12.41 C ATOM 778 O PRO A 50 -18.043 -5.290 -14.147 1.00 32.44 O ATOM 779 CB PRO A 50 -20.217 -7.341 -15.706 1.00 11.45 C ATOM 780 CG PRO A 50 -19.168 -7.794 -16.708 1.00 1.42 C ATOM 781 CD PRO A 50 -18.541 -6.552 -17.320 1.00 54.52 C ATOM 0 HA PRO A 50 -20.901 -5.314 -15.396 1.00 62.41 H new ATOM 0 HB2 PRO A 50 -20.135 -7.902 -14.775 1.00 11.45 H new ATOM 0 HB3 PRO A 50 -21.223 -7.508 -16.091 1.00 11.45 H new ATOM 0 HG2 PRO A 50 -18.409 -8.402 -16.217 1.00 1.42 H new ATOM 0 HG3 PRO A 50 -19.622 -8.413 -17.482 1.00 1.42 H new ATOM 0 HD2 PRO A 50 -17.458 -6.552 -17.194 1.00 54.52 H new ATOM 0 HD3 PRO A 50 -18.737 -6.496 -18.391 1.00 54.52 H new ATOM 789 N MET A 51 -19.997 -5.669 -13.072 1.00 4.14 N ATOM 790 CA MET A 51 -19.444 -5.427 -11.750 1.00 12.43 C ATOM 791 C MET A 51 -18.347 -6.440 -11.420 1.00 21.54 C ATOM 792 O MET A 51 -18.414 -7.593 -11.843 1.00 34.42 O ATOM 793 CB MET A 51 -20.558 -5.522 -10.705 1.00 54.24 C ATOM 794 CG MET A 51 -20.068 -5.049 -9.336 1.00 3.15 C ATOM 795 SD MET A 51 -21.366 -5.235 -8.125 1.00 2.34 S ATOM 796 CE MET A 51 -20.779 -6.682 -7.261 1.00 21.34 C ATOM 0 H MET A 51 -20.989 -5.907 -13.083 1.00 4.14 H new ATOM 0 HA MET A 51 -19.006 -4.429 -11.738 1.00 12.43 H new ATOM 0 HB2 MET A 51 -21.409 -4.917 -11.019 1.00 54.24 H new ATOM 0 HB3 MET A 51 -20.908 -6.552 -10.634 1.00 54.24 H new ATOM 0 HG2 MET A 51 -19.193 -5.625 -9.035 1.00 3.15 H new ATOM 0 HG3 MET A 51 -19.759 -4.005 -9.392 1.00 3.15 H new ATOM 0 HE1 MET A 51 -21.478 -6.939 -6.465 1.00 21.34 H new ATOM 0 HE2 MET A 51 -20.702 -7.516 -7.959 1.00 21.34 H new ATOM 0 HE3 MET A 51 -19.799 -6.476 -6.831 1.00 21.34 H new ATOM 806 N GLY A 52 -17.362 -5.974 -10.667 1.00 4.12 N ATOM 807 CA GLY A 52 -16.251 -6.826 -10.275 1.00 53.50 C ATOM 808 C GLY A 52 -15.193 -6.889 -11.378 1.00 41.41 C ATOM 809 O GLY A 52 -14.102 -7.416 -11.167 1.00 61.11 O ATOM 0 H GLY A 52 -17.310 -5.017 -10.317 1.00 4.12 H new ATOM 0 HA2 GLY A 52 -15.803 -6.446 -9.357 1.00 53.50 H new ATOM 0 HA3 GLY A 52 -16.616 -7.830 -10.059 1.00 53.50 H new ATOM 813 N THR A 53 -15.552 -6.343 -12.531 1.00 33.22 N ATOM 814 CA THR A 53 -14.647 -6.331 -13.667 1.00 52.24 C ATOM 815 C THR A 53 -13.710 -5.124 -13.589 1.00 64.44 C ATOM 816 O THR A 53 -14.161 -3.980 -13.609 1.00 32.44 O ATOM 817 CB THR A 53 -15.490 -6.364 -14.944 1.00 13.43 C ATOM 818 OG1 THR A 53 -16.301 -7.526 -14.795 1.00 23.24 O ATOM 819 CG2 THR A 53 -14.653 -6.651 -16.192 1.00 1.44 C ATOM 0 H THR A 53 -16.457 -5.906 -12.702 1.00 33.22 H new ATOM 0 HA THR A 53 -13.999 -7.207 -13.666 1.00 52.24 H new ATOM 0 HB THR A 53 -16.004 -5.410 -15.064 1.00 13.43 H new ATOM 0 HG1 THR A 53 -17.204 -7.262 -14.519 1.00 23.24 H new ATOM 0 HG21 THR A 53 -15.300 -6.663 -17.069 1.00 1.44 H new ATOM 0 HG22 THR A 53 -13.897 -5.875 -16.310 1.00 1.44 H new ATOM 0 HG23 THR A 53 -14.165 -7.620 -16.088 1.00 1.44 H new ATOM 827 N THR A 54 -12.421 -5.421 -13.503 1.00 33.20 N ATOM 828 CA THR A 54 -11.416 -4.375 -13.422 1.00 30.21 C ATOM 829 C THR A 54 -11.630 -3.343 -14.531 1.00 22.11 C ATOM 830 O THR A 54 -12.023 -3.693 -15.642 1.00 75.44 O ATOM 831 CB THR A 54 -10.038 -5.039 -13.467 1.00 13.11 C ATOM 832 OG1 THR A 54 -10.063 -5.964 -12.384 1.00 33.43 O ATOM 833 CG2 THR A 54 -8.910 -4.071 -13.104 1.00 61.32 C ATOM 0 H THR A 54 -12.050 -6.371 -13.488 1.00 33.20 H new ATOM 0 HA THR A 54 -11.496 -3.821 -12.486 1.00 30.21 H new ATOM 0 HB THR A 54 -9.863 -5.444 -14.464 1.00 13.11 H new ATOM 0 HG1 THR A 54 -9.374 -6.647 -12.521 1.00 33.43 H new ATOM 0 HG21 THR A 54 -7.954 -4.592 -13.151 1.00 61.32 H new ATOM 0 HG22 THR A 54 -8.905 -3.238 -13.808 1.00 61.32 H new ATOM 0 HG23 THR A 54 -9.067 -3.692 -12.094 1.00 61.32 H new ATOM 841 N LEU A 55 -11.361 -2.091 -14.190 1.00 62.32 N ATOM 842 CA LEU A 55 -11.519 -1.006 -15.143 1.00 42.11 C ATOM 843 C LEU A 55 -10.217 -0.827 -15.927 1.00 21.43 C ATOM 844 O LEU A 55 -9.150 -0.664 -15.336 1.00 72.43 O ATOM 845 CB LEU A 55 -11.989 0.266 -14.434 1.00 21.32 C ATOM 846 CG LEU A 55 -13.133 1.026 -15.108 1.00 33.43 C ATOM 847 CD1 LEU A 55 -13.123 0.803 -16.621 1.00 70.32 C ATOM 848 CD2 LEU A 55 -14.480 0.656 -14.483 1.00 20.51 C ATOM 0 H LEU A 55 -11.035 -1.804 -13.267 1.00 62.32 H new ATOM 0 HA LEU A 55 -12.297 -1.246 -15.867 1.00 42.11 H new ATOM 0 HB2 LEU A 55 -12.301 0.001 -13.424 1.00 21.32 H new ATOM 0 HB3 LEU A 55 -11.138 0.940 -14.338 1.00 21.32 H new ATOM 0 HG LEU A 55 -12.981 2.092 -14.939 1.00 33.43 H new ATOM 0 HD11 LEU A 55 -13.946 1.354 -17.075 1.00 70.32 H new ATOM 0 HD12 LEU A 55 -12.178 1.156 -17.035 1.00 70.32 H new ATOM 0 HD13 LEU A 55 -13.237 -0.260 -16.833 1.00 70.32 H new ATOM 0 HD21 LEU A 55 -15.276 1.210 -14.980 1.00 20.51 H new ATOM 0 HD22 LEU A 55 -14.654 -0.414 -14.600 1.00 20.51 H new ATOM 0 HD23 LEU A 55 -14.470 0.908 -13.422 1.00 20.51 H new ATOM 860 N MET A 56 -10.347 -0.864 -17.245 1.00 30.33 N ATOM 861 CA MET A 56 -9.194 -0.709 -18.115 1.00 51.33 C ATOM 862 C MET A 56 -9.271 0.604 -18.897 1.00 42.14 C ATOM 863 O MET A 56 -10.359 1.127 -19.134 1.00 44.12 O ATOM 864 CB MET A 56 -9.131 -1.883 -19.094 1.00 22.23 C ATOM 865 CG MET A 56 -9.025 -3.214 -18.346 1.00 65.14 C ATOM 866 SD MET A 56 -7.309 -3.660 -18.134 1.00 52.23 S ATOM 867 CE MET A 56 -7.330 -4.167 -16.423 1.00 10.10 C ATOM 0 H MET A 56 -11.233 -0.999 -17.731 1.00 30.33 H new ATOM 0 HA MET A 56 -8.296 -0.691 -17.497 1.00 51.33 H new ATOM 0 HB2 MET A 56 -10.021 -1.885 -19.723 1.00 22.23 H new ATOM 0 HB3 MET A 56 -8.273 -1.764 -19.756 1.00 22.23 H new ATOM 0 HG2 MET A 56 -9.511 -3.134 -17.374 1.00 65.14 H new ATOM 0 HG3 MET A 56 -9.546 -3.995 -18.900 1.00 65.14 H new ATOM 0 HE1 MET A 56 -6.342 -4.020 -15.988 1.00 10.10 H new ATOM 0 HE2 MET A 56 -8.060 -3.571 -15.876 1.00 10.10 H new ATOM 0 HE3 MET A 56 -7.601 -5.221 -16.359 1.00 10.10 H new ATOM 877 N PRO A 57 -8.071 1.112 -19.287 1.00 61.11 N ATOM 878 CA PRO A 57 -7.992 2.354 -20.038 1.00 21.44 C ATOM 879 C PRO A 57 -8.414 2.142 -21.493 1.00 12.40 C ATOM 880 O PRO A 57 -8.569 3.104 -22.244 1.00 42.20 O ATOM 881 CB PRO A 57 -6.548 2.806 -19.898 1.00 3.51 C ATOM 882 CG PRO A 57 -5.764 1.576 -19.470 1.00 74.15 C ATOM 883 CD PRO A 57 -6.762 0.520 -19.025 1.00 35.25 C ATOM 0 HA PRO A 57 -8.673 3.118 -19.662 1.00 21.44 H new ATOM 0 HB2 PRO A 57 -6.170 3.201 -20.841 1.00 3.51 H new ATOM 0 HB3 PRO A 57 -6.458 3.603 -19.159 1.00 3.51 H new ATOM 0 HG2 PRO A 57 -5.157 1.204 -20.295 1.00 74.15 H new ATOM 0 HG3 PRO A 57 -5.081 1.822 -18.657 1.00 74.15 H new ATOM 0 HD2 PRO A 57 -6.629 -0.409 -19.580 1.00 35.25 H new ATOM 0 HD3 PRO A 57 -6.640 0.280 -17.969 1.00 35.25 H new ATOM 891 N ASP A 58 -8.589 0.878 -21.847 1.00 71.24 N ATOM 892 CA ASP A 58 -8.991 0.528 -23.199 1.00 43.24 C ATOM 893 C ASP A 58 -10.493 0.240 -23.222 1.00 52.10 C ATOM 894 O ASP A 58 -11.051 -0.083 -24.270 1.00 12.34 O ATOM 895 CB ASP A 58 -8.261 -0.727 -23.683 1.00 54.45 C ATOM 896 CG ASP A 58 -7.805 -1.677 -22.575 1.00 70.40 C ATOM 897 OD1 ASP A 58 -8.614 -2.415 -21.993 1.00 12.11 O ATOM 898 OD2 ASP A 58 -6.543 -1.641 -22.311 1.00 63.55 O ATOM 0 H ASP A 58 -8.460 0.083 -21.221 1.00 71.24 H new ATOM 0 HA ASP A 58 -8.742 1.365 -23.852 1.00 43.24 H new ATOM 0 HB2 ASP A 58 -8.918 -1.272 -24.361 1.00 54.45 H new ATOM 0 HB3 ASP A 58 -7.389 -0.422 -24.261 1.00 54.45 H new ATOM 904 N MET A 59 -11.105 0.367 -22.054 1.00 13.11 N ATOM 905 CA MET A 59 -12.532 0.124 -21.926 1.00 52.44 C ATOM 906 C MET A 59 -13.278 1.412 -21.569 1.00 23.21 C ATOM 907 O MET A 59 -14.392 1.365 -21.051 1.00 33.42 O ATOM 908 CB MET A 59 -12.777 -0.926 -20.841 1.00 4.53 C ATOM 909 CG MET A 59 -12.277 -2.301 -21.286 1.00 73.53 C ATOM 910 SD MET A 59 -12.910 -3.564 -20.194 1.00 3.40 S ATOM 911 CE MET A 59 -12.472 -2.855 -18.615 1.00 63.22 C ATOM 0 H MET A 59 -10.639 0.635 -21.187 1.00 13.11 H new ATOM 0 HA MET A 59 -12.907 -0.237 -22.884 1.00 52.44 H new ATOM 0 HB2 MET A 59 -12.270 -0.630 -19.923 1.00 4.53 H new ATOM 0 HB3 MET A 59 -13.842 -0.978 -20.614 1.00 4.53 H new ATOM 0 HG2 MET A 59 -12.597 -2.500 -22.309 1.00 73.53 H new ATOM 0 HG3 MET A 59 -11.187 -2.319 -21.283 1.00 73.53 H new ATOM 0 HE1 MET A 59 -11.908 -3.584 -18.033 1.00 63.22 H new ATOM 0 HE2 MET A 59 -11.861 -1.966 -18.772 1.00 63.22 H new ATOM 0 HE3 MET A 59 -13.378 -2.582 -18.075 1.00 63.22 H new ATOM 921 N VAL A 60 -12.632 2.532 -21.860 1.00 32.33 N ATOM 922 CA VAL A 60 -13.220 3.830 -21.575 1.00 70.24 C ATOM 923 C VAL A 60 -13.075 4.731 -22.804 1.00 31.54 C ATOM 924 O VAL A 60 -11.981 4.874 -23.347 1.00 1.11 O ATOM 925 CB VAL A 60 -12.586 4.427 -20.318 1.00 1.34 C ATOM 926 CG1 VAL A 60 -13.158 5.815 -20.021 1.00 73.22 C ATOM 927 CG2 VAL A 60 -12.762 3.494 -19.118 1.00 71.44 C ATOM 0 H VAL A 60 -11.708 2.567 -22.290 1.00 32.33 H new ATOM 0 HA VAL A 60 -14.286 3.730 -21.369 1.00 70.24 H new ATOM 0 HB VAL A 60 -11.517 4.537 -20.503 1.00 1.34 H new ATOM 0 HG11 VAL A 60 -12.690 6.217 -19.122 1.00 73.22 H new ATOM 0 HG12 VAL A 60 -12.958 6.479 -20.862 1.00 73.22 H new ATOM 0 HG13 VAL A 60 -14.234 5.740 -19.867 1.00 73.22 H new ATOM 0 HG21 VAL A 60 -12.302 3.943 -18.238 1.00 71.44 H new ATOM 0 HG22 VAL A 60 -13.824 3.337 -18.932 1.00 71.44 H new ATOM 0 HG23 VAL A 60 -12.285 2.537 -19.328 1.00 71.44 H new ATOM 937 N LYS A 61 -14.195 5.314 -23.205 1.00 63.04 N ATOM 938 CA LYS A 61 -14.206 6.197 -24.359 1.00 71.24 C ATOM 939 C LYS A 61 -13.765 7.597 -23.929 1.00 42.21 C ATOM 940 O LYS A 61 -13.982 7.997 -22.786 1.00 71.42 O ATOM 941 CB LYS A 61 -15.574 6.166 -25.044 1.00 12.32 C ATOM 942 CG LYS A 61 -16.304 4.854 -24.752 1.00 31.41 C ATOM 943 CD LYS A 61 -17.117 4.397 -25.965 1.00 31.12 C ATOM 944 CE LYS A 61 -18.595 4.236 -25.605 1.00 34.42 C ATOM 945 NZ LYS A 61 -19.453 4.636 -26.743 1.00 3.43 N ATOM 0 H LYS A 61 -15.101 5.192 -22.752 1.00 63.04 H new ATOM 0 HA LYS A 61 -13.492 5.854 -25.108 1.00 71.24 H new ATOM 0 HB2 LYS A 61 -16.177 7.006 -24.699 1.00 12.32 H new ATOM 0 HB3 LYS A 61 -15.448 6.285 -26.120 1.00 12.32 H new ATOM 0 HG2 LYS A 61 -15.581 4.084 -24.483 1.00 31.41 H new ATOM 0 HG3 LYS A 61 -16.965 4.984 -23.895 1.00 31.41 H new ATOM 0 HD2 LYS A 61 -17.012 5.123 -26.772 1.00 31.12 H new ATOM 0 HD3 LYS A 61 -16.724 3.450 -26.335 1.00 31.12 H new ATOM 0 HE2 LYS A 61 -18.799 3.200 -25.335 1.00 34.42 H new ATOM 0 HE3 LYS A 61 -18.831 4.845 -24.732 1.00 34.42 H new ATOM 0 HZ1 LYS A 61 -20.391 4.913 -26.390 1.00 3.43 H new ATOM 0 HZ2 LYS A 61 -19.019 5.440 -27.239 1.00 3.43 H new ATOM 0 HZ3 LYS A 61 -19.553 3.836 -27.400 1.00 3.43 H new ATOM 958 N GLY A 62 -13.153 8.305 -24.868 1.00 32.43 N ATOM 959 CA GLY A 62 -12.679 9.652 -24.600 1.00 34.10 C ATOM 960 C GLY A 62 -11.679 9.661 -23.442 1.00 51.52 C ATOM 961 O GLY A 62 -11.375 10.717 -22.889 1.00 31.04 O ATOM 0 H GLY A 62 -12.975 7.971 -25.815 1.00 32.43 H new ATOM 0 HA2 GLY A 62 -12.209 10.061 -25.494 1.00 34.10 H new ATOM 0 HA3 GLY A 62 -13.524 10.298 -24.361 1.00 34.10 H new ATOM 965 N TYR A 63 -11.195 8.474 -23.111 1.00 31.44 N ATOM 966 CA TYR A 63 -10.235 8.332 -22.029 1.00 35.12 C ATOM 967 C TYR A 63 -8.824 8.694 -22.497 1.00 14.25 C ATOM 968 O TYR A 63 -8.607 8.956 -23.678 1.00 45.14 O ATOM 969 CB TYR A 63 -10.264 6.855 -21.630 1.00 53.12 C ATOM 970 CG TYR A 63 -9.241 6.480 -20.557 1.00 5.11 C ATOM 971 CD1 TYR A 63 -9.572 6.582 -19.221 1.00 74.21 C ATOM 972 CD2 TYR A 63 -7.985 6.040 -20.924 1.00 51.24 C ATOM 973 CE1 TYR A 63 -8.609 6.229 -18.211 1.00 22.11 C ATOM 974 CE2 TYR A 63 -7.022 5.687 -19.914 1.00 45.32 C ATOM 975 CZ TYR A 63 -7.381 5.799 -18.607 1.00 40.03 C ATOM 976 OH TYR A 63 -6.471 5.466 -17.653 1.00 61.32 O ATOM 0 H TYR A 63 -11.449 7.601 -23.573 1.00 31.44 H new ATOM 0 HA TYR A 63 -10.490 8.994 -21.201 1.00 35.12 H new ATOM 0 HB2 TYR A 63 -11.262 6.606 -21.269 1.00 53.12 H new ATOM 0 HB3 TYR A 63 -10.085 6.246 -22.516 1.00 53.12 H new ATOM 0 HD1 TYR A 63 -10.554 6.927 -18.933 1.00 74.21 H new ATOM 0 HD2 TYR A 63 -7.725 5.961 -21.969 1.00 51.24 H new ATOM 0 HE1 TYR A 63 -8.856 6.304 -17.162 1.00 22.11 H new ATOM 0 HE2 TYR A 63 -6.036 5.341 -20.188 1.00 45.32 H new ATOM 0 HH TYR A 63 -6.588 6.047 -16.873 1.00 61.32 H new ATOM 986 N ALA A 64 -7.903 8.698 -21.545 1.00 23.51 N ATOM 987 CA ALA A 64 -6.519 9.023 -21.845 1.00 3.44 C ATOM 988 C ALA A 64 -5.716 9.069 -20.543 1.00 34.44 C ATOM 989 O ALA A 64 -6.286 9.220 -19.463 1.00 52.01 O ATOM 990 CB ALA A 64 -6.460 10.346 -22.612 1.00 30.22 C ATOM 0 H ALA A 64 -8.088 8.481 -20.566 1.00 23.51 H new ATOM 0 HA ALA A 64 -6.074 8.257 -22.480 1.00 3.44 H new ATOM 0 HB1 ALA A 64 -5.422 10.590 -22.837 1.00 30.22 H new ATOM 0 HB2 ALA A 64 -7.021 10.253 -23.542 1.00 30.22 H new ATOM 0 HB3 ALA A 64 -6.895 11.139 -22.004 1.00 30.22 H new ATOM 996 N PRO A 65 -4.372 8.931 -20.691 1.00 64.20 N ATOM 997 CA PRO A 65 -3.485 8.954 -19.540 1.00 13.40 C ATOM 998 C PRO A 65 -3.315 10.379 -19.008 1.00 35.23 C ATOM 999 O PRO A 65 -4.116 11.260 -19.317 1.00 4.40 O ATOM 1000 CB PRO A 65 -2.183 8.346 -20.034 1.00 30.44 C ATOM 1001 CG PRO A 65 -2.231 8.432 -21.550 1.00 73.55 C ATOM 1002 CD PRO A 65 -3.662 8.750 -21.954 1.00 22.41 C ATOM 0 HA PRO A 65 -3.878 8.388 -18.695 1.00 13.40 H new ATOM 0 HB2 PRO A 65 -1.324 8.889 -19.639 1.00 30.44 H new ATOM 0 HB3 PRO A 65 -2.085 7.312 -19.705 1.00 30.44 H new ATOM 0 HG2 PRO A 65 -1.552 9.205 -21.910 1.00 73.55 H new ATOM 0 HG3 PRO A 65 -1.909 7.491 -21.996 1.00 73.55 H new ATOM 0 HD2 PRO A 65 -3.710 9.650 -22.568 1.00 22.41 H new ATOM 0 HD3 PRO A 65 -4.097 7.941 -22.540 1.00 22.41 H new