USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 863 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 10 SER OG : rot 175:sc= 0.79 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.584 K(o=1.4,f=-0.76) USER MOD Set 2.1: A 8 ASN : amide:sc= -4.83! C(o=-5.4!,f=-12!) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 1 MET CE :methyl -118:sc= -9.15! (180deg=-12.3!) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.436 (180deg=0.393) USER MOD Single : A 2 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 4 CYS SG : rot 180:sc= -3.51! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 165:sc= -1.19 USER MOD Single : A 11 MET CE :methyl 166:sc= -2.21 (180deg=-2.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=-0.13) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -160:sc= -0.302 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 101:sc= -2.27 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 162:sc= -2.62! (180deg=-3.94!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 50:sc= 0.175 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -55:sc= -0.659 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= -0.183 (180deg=-1.8!) USER MOD Single : A 77 MET CE :methyl -141:sc= -1.32 (180deg=-1.96) USER MOD Single : A 78 SER OG : rot 180:sc= -0.123 USER MOD Single : A 80 SER OG : rot 131:sc= 0.00292 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.4!) USER MOD Single : A 88 MET CE :methyl -147:sc= -2.96 (180deg=-6.11!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 80:sc= 0.936 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.19) USER MOD Single : A 102 LYS NZ :NH3+ 155:sc= 0.6 (180deg=0.297) USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= -0.1 (180deg=-1.07) USER MOD Single : A 108 THR OG1 : rot 23:sc= 0.0612! USER MOD Single : A 110 MET CE :methyl -174:sc= 0 (180deg=-0.0562) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.636 0.151 -0.967 1.00 64.22 N ATOM 2 CA MET A 1 1.523 0.281 -2.118 1.00 75.21 C ATOM 3 C MET A 1 2.821 -0.487 -1.893 1.00 45.34 C ATOM 4 O MET A 1 3.113 -0.922 -0.779 1.00 3.01 O ATOM 5 CB MET A 1 1.828 1.755 -2.390 1.00 0.14 C ATOM 6 CG MET A 1 1.748 2.631 -1.150 1.00 31.34 C ATOM 7 SD MET A 1 2.880 2.100 0.150 1.00 74.21 S ATOM 8 CE MET A 1 4.415 1.982 -0.765 1.00 53.24 C ATOM 0 H1 MET A 1 -0.255 0.653 -1.157 1.00 64.22 H new ATOM 0 H2 MET A 1 0.436 -0.855 -0.795 1.00 64.22 H new ATOM 0 H3 MET A 1 1.093 0.562 -0.128 1.00 64.22 H new ATOM 0 HA MET A 1 1.017 -0.143 -2.985 1.00 75.21 H new ATOM 0 HB2 MET A 1 2.826 1.838 -2.819 1.00 0.14 H new ATOM 0 HB3 MET A 1 1.128 2.131 -3.136 1.00 0.14 H new ATOM 0 HG2 MET A 1 1.973 3.662 -1.423 1.00 31.34 H new ATOM 0 HG3 MET A 1 0.728 2.618 -0.766 1.00 31.34 H new ATOM 0 HE1 MET A 1 4.773 0.953 -0.744 1.00 53.24 H new ATOM 0 HE2 MET A 1 4.247 2.287 -1.798 1.00 53.24 H new ATOM 0 HE3 MET A 1 5.161 2.634 -0.310 1.00 53.24 H new ATOM 18 N THR A 2 3.599 -0.650 -2.959 1.00 62.03 N ATOM 19 CA THR A 2 4.866 -1.366 -2.879 1.00 30.15 C ATOM 20 C THR A 2 6.046 -0.403 -2.929 1.00 43.21 C ATOM 21 O THR A 2 6.104 0.480 -3.786 1.00 10.31 O ATOM 22 CB THR A 2 5.005 -2.391 -4.020 1.00 25.44 C ATOM 23 OG1 THR A 2 3.720 -2.922 -4.361 1.00 61.11 O ATOM 24 CG2 THR A 2 5.937 -3.525 -3.618 1.00 3.31 C ATOM 0 H THR A 2 3.373 -0.295 -3.888 1.00 62.03 H new ATOM 0 HA THR A 2 4.871 -1.893 -1.925 1.00 30.15 H new ATOM 0 HB THR A 2 5.429 -1.882 -4.886 1.00 25.44 H new ATOM 0 HG1 THR A 2 3.212 -2.252 -4.864 1.00 61.11 H new ATOM 0 HG21 THR A 2 6.020 -4.237 -4.440 1.00 3.31 H new ATOM 0 HG22 THR A 2 6.923 -3.121 -3.387 1.00 3.31 H new ATOM 0 HG23 THR A 2 5.537 -4.031 -2.739 1.00 3.31 H new ATOM 32 N LEU A 3 6.987 -0.578 -2.007 1.00 73.03 N ATOM 33 CA LEU A 3 8.168 0.276 -1.947 1.00 52.13 C ATOM 34 C LEU A 3 9.422 -0.502 -2.331 1.00 45.21 C ATOM 35 O LEU A 3 9.718 -1.548 -1.752 1.00 12.34 O ATOM 36 CB LEU A 3 8.327 0.862 -0.543 1.00 52.23 C ATOM 37 CG LEU A 3 8.394 2.387 -0.456 1.00 43.33 C ATOM 38 CD1 LEU A 3 7.405 3.021 -1.422 1.00 11.43 C ATOM 39 CD2 LEU A 3 8.126 2.853 0.967 1.00 30.35 C ATOM 0 H LEU A 3 6.955 -1.304 -1.291 1.00 73.03 H new ATOM 0 HA LEU A 3 8.035 1.089 -2.660 1.00 52.13 H new ATOM 0 HB2 LEU A 3 7.492 0.520 0.069 1.00 52.23 H new ATOM 0 HB3 LEU A 3 9.235 0.453 -0.101 1.00 52.23 H new ATOM 0 HG LEU A 3 9.398 2.704 -0.737 1.00 43.33 H new ATOM 0 HD11 LEU A 3 7.467 4.107 -1.346 1.00 11.43 H new ATOM 0 HD12 LEU A 3 7.644 2.714 -2.440 1.00 11.43 H new ATOM 0 HD13 LEU A 3 6.395 2.697 -1.173 1.00 11.43 H new ATOM 0 HD21 LEU A 3 8.178 3.941 1.009 1.00 30.35 H new ATOM 0 HD22 LEU A 3 7.134 2.525 1.277 1.00 30.35 H new ATOM 0 HD23 LEU A 3 8.874 2.428 1.636 1.00 30.35 H new ATOM 51 N CYS A 4 10.157 0.016 -3.309 1.00 4.33 N ATOM 52 CA CYS A 4 11.382 -0.629 -3.769 1.00 71.10 C ATOM 53 C CYS A 4 12.577 0.308 -3.628 1.00 53.40 C ATOM 54 O CYS A 4 12.416 1.524 -3.528 1.00 52.31 O ATOM 55 CB CYS A 4 11.234 -1.071 -5.226 1.00 13.43 C ATOM 56 SG CYS A 4 9.703 -1.969 -5.573 1.00 3.31 S ATOM 0 H CYS A 4 9.926 0.881 -3.799 1.00 4.33 H new ATOM 0 HA CYS A 4 11.557 -1.506 -3.146 1.00 71.10 H new ATOM 0 HB2 CYS A 4 11.280 -0.191 -5.868 1.00 13.43 H new ATOM 0 HB3 CYS A 4 12.081 -1.703 -5.491 1.00 13.43 H new ATOM 0 HG CYS A 4 9.668 -2.298 -6.830 1.00 3.31 H new ATOM 62 N ALA A 5 13.775 -0.266 -3.619 1.00 61.11 N ATOM 63 CA ALA A 5 14.997 0.518 -3.491 1.00 21.15 C ATOM 64 C ALA A 5 16.037 0.087 -4.520 1.00 33.14 C ATOM 65 O ALA A 5 16.156 -1.096 -4.837 1.00 21.11 O ATOM 66 CB ALA A 5 15.560 0.390 -2.083 1.00 4.21 C ATOM 0 H ALA A 5 13.926 -1.272 -3.699 1.00 61.11 H new ATOM 0 HA ALA A 5 14.750 1.563 -3.679 1.00 21.15 H new ATOM 0 HB1 ALA A 5 16.473 0.980 -2.001 1.00 4.21 H new ATOM 0 HB2 ALA A 5 14.827 0.754 -1.363 1.00 4.21 H new ATOM 0 HB3 ALA A 5 15.785 -0.656 -1.875 1.00 4.21 H new ATOM 72 N MET A 6 16.786 1.054 -5.038 1.00 1.53 N ATOM 73 CA MET A 6 17.816 0.774 -6.031 1.00 62.31 C ATOM 74 C MET A 6 19.191 1.196 -5.523 1.00 0.21 C ATOM 75 O MET A 6 19.398 2.352 -5.153 1.00 44.23 O ATOM 76 CB MET A 6 17.500 1.495 -7.343 1.00 4.54 C ATOM 77 CG MET A 6 16.782 0.623 -8.359 1.00 21.31 C ATOM 78 SD MET A 6 15.847 1.585 -9.563 1.00 73.00 S ATOM 79 CE MET A 6 17.161 2.146 -10.643 1.00 20.12 C ATOM 0 H MET A 6 16.699 2.039 -4.787 1.00 1.53 H new ATOM 0 HA MET A 6 17.829 -0.301 -6.210 1.00 62.31 H new ATOM 0 HB2 MET A 6 16.885 2.369 -7.128 1.00 4.54 H new ATOM 0 HB3 MET A 6 18.430 1.858 -7.781 1.00 4.54 H new ATOM 0 HG2 MET A 6 17.512 0.005 -8.882 1.00 21.31 H new ATOM 0 HG3 MET A 6 16.106 -0.054 -7.837 1.00 21.31 H new ATOM 0 HE1 MET A 6 16.740 2.756 -11.442 1.00 20.12 H new ATOM 0 HE2 MET A 6 17.874 2.739 -10.071 1.00 20.12 H new ATOM 0 HE3 MET A 6 17.670 1.284 -11.075 1.00 20.12 H new ATOM 89 N TYR A 7 20.126 0.253 -5.507 1.00 2.11 N ATOM 90 CA TYR A 7 21.480 0.527 -5.041 1.00 45.43 C ATOM 91 C TYR A 7 22.504 0.211 -6.127 1.00 44.02 C ATOM 92 O TYR A 7 22.432 -0.829 -6.780 1.00 21.33 O ATOM 93 CB TYR A 7 21.785 -0.289 -3.784 1.00 41.30 C ATOM 94 CG TYR A 7 21.918 -1.772 -4.043 1.00 24.52 C ATOM 95 CD1 TYR A 7 23.129 -2.320 -4.450 1.00 74.42 C ATOM 96 CD2 TYR A 7 20.834 -2.626 -3.881 1.00 24.21 C ATOM 97 CE1 TYR A 7 23.255 -3.675 -4.689 1.00 21.34 C ATOM 98 CE2 TYR A 7 20.952 -3.982 -4.115 1.00 60.45 C ATOM 99 CZ TYR A 7 22.164 -4.502 -4.519 1.00 62.23 C ATOM 100 OH TYR A 7 22.285 -5.852 -4.755 1.00 60.44 O ATOM 0 H TYR A 7 19.971 -0.708 -5.811 1.00 2.11 H new ATOM 0 HA TYR A 7 21.546 1.588 -4.802 1.00 45.43 H new ATOM 0 HB2 TYR A 7 22.710 0.078 -3.338 1.00 41.30 H new ATOM 0 HB3 TYR A 7 20.992 -0.126 -3.054 1.00 41.30 H new ATOM 0 HD1 TYR A 7 23.986 -1.676 -4.582 1.00 74.42 H new ATOM 0 HD2 TYR A 7 19.883 -2.222 -3.567 1.00 24.21 H new ATOM 0 HE1 TYR A 7 24.202 -4.084 -5.007 1.00 21.34 H new ATOM 0 HE2 TYR A 7 20.100 -4.632 -3.982 1.00 60.45 H new ATOM 0 HH TYR A 7 21.517 -6.322 -4.368 1.00 60.44 H new ATOM 110 N ASN A 8 23.459 1.117 -6.314 1.00 15.33 N ATOM 111 CA ASN A 8 24.498 0.936 -7.320 1.00 5.30 C ATOM 112 C ASN A 8 25.866 0.771 -6.665 1.00 24.21 C ATOM 113 O ASN A 8 26.217 1.507 -5.742 1.00 32.21 O ATOM 114 CB ASN A 8 24.521 2.127 -8.280 1.00 41.31 C ATOM 115 CG ASN A 8 23.140 2.478 -8.799 1.00 70.33 C ATOM 116 OD1 ASN A 8 22.174 1.752 -8.563 1.00 54.45 O ATOM 117 ND2 ASN A 8 23.041 3.595 -9.511 1.00 24.33 N ATOM 0 H ASN A 8 23.534 1.984 -5.782 1.00 15.33 H new ATOM 0 HA ASN A 8 24.271 0.030 -7.881 1.00 5.30 H new ATOM 0 HB2 ASN A 8 24.946 2.992 -7.771 1.00 41.31 H new ATOM 0 HB3 ASN A 8 25.175 1.899 -9.121 1.00 41.31 H new ATOM 0 HD21 ASN A 8 22.137 3.882 -9.887 1.00 24.33 H new ATOM 0 HD22 ASN A 8 23.869 4.166 -9.682 1.00 24.33 H new ATOM 124 N ILE A 9 26.635 -0.199 -7.149 1.00 34.21 N ATOM 125 CA ILE A 9 27.964 -0.460 -6.612 1.00 3.12 C ATOM 126 C ILE A 9 29.041 -0.196 -7.658 1.00 44.24 C ATOM 127 O ILE A 9 28.941 -0.654 -8.796 1.00 64.34 O ATOM 128 CB ILE A 9 28.095 -1.911 -6.112 1.00 0.33 C ATOM 129 CG1 ILE A 9 27.239 -2.847 -6.967 1.00 63.11 C ATOM 130 CG2 ILE A 9 27.691 -2.005 -4.648 1.00 3.32 C ATOM 131 CD1 ILE A 9 27.202 -4.270 -6.454 1.00 2.53 C ATOM 0 H ILE A 9 26.360 -0.817 -7.912 1.00 34.21 H new ATOM 0 HA ILE A 9 28.103 0.219 -5.771 1.00 3.12 H new ATOM 0 HB ILE A 9 29.137 -2.218 -6.202 1.00 0.33 H new ATOM 0 HG12 ILE A 9 26.222 -2.458 -7.010 1.00 63.11 H new ATOM 0 HG13 ILE A 9 27.623 -2.847 -7.987 1.00 63.11 H new ATOM 0 HG21 ILE A 9 27.789 -3.036 -4.309 1.00 3.32 H new ATOM 0 HG22 ILE A 9 28.338 -1.364 -4.050 1.00 3.32 H new ATOM 0 HG23 ILE A 9 26.656 -1.683 -4.535 1.00 3.32 H new ATOM 0 HD11 ILE A 9 26.577 -4.877 -7.109 1.00 2.53 H new ATOM 0 HD12 ILE A 9 28.213 -4.677 -6.438 1.00 2.53 H new ATOM 0 HD13 ILE A 9 26.790 -4.282 -5.445 1.00 2.53 H new ATOM 143 N SER A 10 30.072 0.545 -7.265 1.00 24.03 N ATOM 144 CA SER A 10 31.168 0.872 -8.169 1.00 44.03 C ATOM 145 C SER A 10 32.407 0.043 -7.844 1.00 2.10 C ATOM 146 O SER A 10 32.963 0.141 -6.750 1.00 71.24 O ATOM 147 CB SER A 10 31.501 2.363 -8.083 1.00 63.21 C ATOM 148 OG SER A 10 30.379 3.112 -7.651 1.00 74.11 O ATOM 0 H SER A 10 30.171 0.930 -6.326 1.00 24.03 H new ATOM 0 HA SER A 10 30.851 0.636 -9.185 1.00 44.03 H new ATOM 0 HB2 SER A 10 32.331 2.514 -7.393 1.00 63.21 H new ATOM 0 HB3 SER A 10 31.828 2.723 -9.059 1.00 63.21 H new ATOM 0 HG SER A 10 30.640 4.048 -7.525 1.00 74.11 H new ATOM 154 N MET A 11 32.834 -0.773 -8.802 1.00 53.03 N ATOM 155 CA MET A 11 34.008 -1.619 -8.619 1.00 15.31 C ATOM 156 C MET A 11 35.276 -0.890 -9.051 1.00 52.24 C ATOM 157 O MET A 11 35.707 -1.003 -10.198 1.00 64.22 O ATOM 158 CB MET A 11 33.856 -2.918 -9.413 1.00 51.50 C ATOM 159 CG MET A 11 35.139 -3.728 -9.503 1.00 35.34 C ATOM 160 SD MET A 11 35.297 -4.607 -11.069 1.00 51.23 S ATOM 161 CE MET A 11 35.171 -3.250 -12.232 1.00 62.42 C ATOM 0 H MET A 11 32.385 -0.866 -9.713 1.00 53.03 H new ATOM 0 HA MET A 11 34.091 -1.858 -7.559 1.00 15.31 H new ATOM 0 HB2 MET A 11 33.082 -3.529 -8.949 1.00 51.50 H new ATOM 0 HB3 MET A 11 33.514 -2.681 -10.420 1.00 51.50 H new ATOM 0 HG2 MET A 11 35.993 -3.063 -9.376 1.00 35.34 H new ATOM 0 HG3 MET A 11 35.169 -4.446 -8.683 1.00 35.34 H new ATOM 0 HE1 MET A 11 35.494 -3.584 -13.218 1.00 62.42 H new ATOM 0 HE2 MET A 11 34.136 -2.911 -12.285 1.00 62.42 H new ATOM 0 HE3 MET A 11 35.805 -2.428 -11.902 1.00 62.42 H new ATOM 171 N ALA A 12 35.868 -0.142 -8.126 1.00 54.51 N ATOM 172 CA ALA A 12 37.087 0.604 -8.412 1.00 10.21 C ATOM 173 C ALA A 12 36.810 1.768 -9.358 1.00 60.51 C ATOM 174 O ALA A 12 37.663 2.144 -10.161 1.00 74.33 O ATOM 175 CB ALA A 12 38.144 -0.318 -9.001 1.00 73.15 C ATOM 0 H ALA A 12 35.523 -0.037 -7.172 1.00 54.51 H new ATOM 0 HA ALA A 12 37.461 1.014 -7.474 1.00 10.21 H new ATOM 0 HB1 ALA A 12 39.049 0.253 -9.210 1.00 73.15 H new ATOM 0 HB2 ALA A 12 38.372 -1.112 -8.290 1.00 73.15 H new ATOM 0 HB3 ALA A 12 37.770 -0.756 -9.926 1.00 73.15 H new ATOM 181 N GLY A 13 35.611 2.334 -9.258 1.00 30.51 N ATOM 182 CA GLY A 13 35.243 3.448 -10.112 1.00 21.14 C ATOM 183 C GLY A 13 35.280 3.088 -11.583 1.00 62.45 C ATOM 184 O GLY A 13 35.305 3.967 -12.444 1.00 52.14 O ATOM 0 H GLY A 13 34.888 2.041 -8.601 1.00 30.51 H new ATOM 0 HA2 GLY A 13 34.241 3.787 -9.849 1.00 21.14 H new ATOM 0 HA3 GLY A 13 35.920 4.282 -9.928 1.00 21.14 H new ATOM 188 N SER A 14 35.286 1.791 -11.874 1.00 20.53 N ATOM 189 CA SER A 14 35.326 1.316 -13.252 1.00 23.31 C ATOM 190 C SER A 14 34.168 0.364 -13.533 1.00 34.35 C ATOM 191 O SER A 14 33.895 -0.548 -12.751 1.00 32.10 O ATOM 192 CB SER A 14 36.657 0.615 -13.534 1.00 32.05 C ATOM 193 OG SER A 14 36.892 0.509 -14.927 1.00 23.42 O ATOM 0 H SER A 14 35.264 1.050 -11.173 1.00 20.53 H new ATOM 0 HA SER A 14 35.231 2.180 -13.910 1.00 23.31 H new ATOM 0 HB2 SER A 14 37.470 1.170 -13.066 1.00 32.05 H new ATOM 0 HB3 SER A 14 36.650 -0.379 -13.086 1.00 32.05 H new ATOM 0 HG SER A 14 37.749 0.059 -15.081 1.00 23.42 H new ATOM 199 N HIS A 15 33.489 0.582 -14.654 1.00 53.32 N ATOM 200 CA HIS A 15 32.359 -0.256 -15.040 1.00 0.12 C ATOM 201 C HIS A 15 31.454 -0.532 -13.843 1.00 54.32 C ATOM 202 O HIS A 15 31.439 -1.629 -13.285 1.00 12.11 O ATOM 203 CB HIS A 15 32.855 -1.575 -15.634 1.00 12.23 C ATOM 204 CG HIS A 15 33.931 -1.402 -16.661 1.00 75.13 C ATOM 205 ND1 HIS A 15 33.982 -0.327 -17.523 1.00 44.02 N ATOM 206 CD2 HIS A 15 35.000 -2.175 -16.961 1.00 45.14 C ATOM 207 CE1 HIS A 15 35.037 -0.447 -18.310 1.00 54.12 C ATOM 208 NE2 HIS A 15 35.672 -1.560 -17.989 1.00 53.34 N ATOM 0 H HIS A 15 33.701 1.332 -15.312 1.00 53.32 H new ATOM 0 HA HIS A 15 31.782 0.279 -15.794 1.00 0.12 H new ATOM 0 HB2 HIS A 15 33.230 -2.208 -14.830 1.00 12.23 H new ATOM 0 HB3 HIS A 15 32.013 -2.100 -16.086 1.00 12.23 H new ATOM 0 HD2 HIS A 15 35.274 -3.103 -16.481 1.00 45.14 H new ATOM 0 HE1 HIS A 15 35.330 0.247 -19.084 1.00 54.12 H new ATOM 0 HE2 HIS A 15 36.523 -1.906 -18.432 1.00 53.34 H new ATOM 216 N PRO A 16 30.681 0.487 -13.438 1.00 75.12 N ATOM 217 CA PRO A 16 29.758 0.378 -12.304 1.00 4.42 C ATOM 218 C PRO A 16 28.572 -0.531 -12.606 1.00 50.40 C ATOM 219 O PRO A 16 28.280 -0.824 -13.766 1.00 41.30 O ATOM 220 CB PRO A 16 29.288 1.819 -12.090 1.00 55.14 C ATOM 221 CG PRO A 16 29.449 2.471 -13.420 1.00 53.21 C ATOM 222 CD PRO A 16 30.647 1.823 -14.057 1.00 34.31 C ATOM 0 HA PRO A 16 30.237 -0.063 -11.430 1.00 4.42 H new ATOM 0 HB2 PRO A 16 28.251 1.852 -11.756 1.00 55.14 H new ATOM 0 HB3 PRO A 16 29.884 2.321 -11.328 1.00 55.14 H new ATOM 0 HG2 PRO A 16 28.558 2.332 -14.033 1.00 53.21 H new ATOM 0 HG3 PRO A 16 29.598 3.545 -13.312 1.00 53.21 H new ATOM 0 HD2 PRO A 16 30.542 1.762 -15.140 1.00 34.31 H new ATOM 0 HD3 PRO A 16 31.561 2.382 -13.856 1.00 34.31 H new ATOM 230 N THR A 17 27.889 -0.975 -11.555 1.00 5.40 N ATOM 231 CA THR A 17 26.735 -1.851 -11.708 1.00 0.20 C ATOM 232 C THR A 17 25.573 -1.387 -10.837 1.00 42.30 C ATOM 233 O THR A 17 25.761 -1.022 -9.676 1.00 14.03 O ATOM 234 CB THR A 17 27.083 -3.307 -11.346 1.00 62.03 C ATOM 235 OG1 THR A 17 28.336 -3.672 -11.936 1.00 72.31 O ATOM 236 CG2 THR A 17 25.996 -4.258 -11.823 1.00 52.14 C ATOM 0 H THR A 17 28.116 -0.742 -10.588 1.00 5.40 H new ATOM 0 HA THR A 17 26.441 -1.805 -12.757 1.00 0.20 H new ATOM 0 HB THR A 17 27.157 -3.381 -10.261 1.00 62.03 H new ATOM 0 HG1 THR A 17 28.551 -4.599 -11.700 1.00 72.31 H new ATOM 0 HG21 THR A 17 26.264 -5.280 -11.556 1.00 52.14 H new ATOM 0 HG22 THR A 17 25.050 -3.996 -11.350 1.00 52.14 H new ATOM 0 HG23 THR A 17 25.894 -4.181 -12.905 1.00 52.14 H new ATOM 244 N THR A 18 24.371 -1.403 -11.404 1.00 51.12 N ATOM 245 CA THR A 18 23.178 -0.983 -10.679 1.00 62.24 C ATOM 246 C THR A 18 22.237 -2.159 -10.442 1.00 3.35 C ATOM 247 O THR A 18 22.079 -3.023 -11.304 1.00 72.20 O ATOM 248 CB THR A 18 22.419 0.122 -11.438 1.00 63.34 C ATOM 249 OG1 THR A 18 23.179 1.335 -11.425 1.00 41.44 O ATOM 250 CG2 THR A 18 21.053 0.366 -10.815 1.00 62.12 C ATOM 0 H THR A 18 24.198 -1.702 -12.364 1.00 51.12 H new ATOM 0 HA THR A 18 23.513 -0.590 -9.719 1.00 62.24 H new ATOM 0 HB THR A 18 22.277 -0.206 -12.468 1.00 63.34 H new ATOM 0 HG1 THR A 18 22.691 2.032 -11.911 1.00 41.44 H new ATOM 0 HG21 THR A 18 20.536 1.150 -11.368 1.00 62.12 H new ATOM 0 HG22 THR A 18 20.467 -0.552 -10.853 1.00 62.12 H new ATOM 0 HG23 THR A 18 21.176 0.675 -9.777 1.00 62.12 H new ATOM 258 N ILE A 19 21.615 -2.184 -9.268 1.00 20.32 N ATOM 259 CA ILE A 19 20.688 -3.254 -8.918 1.00 41.54 C ATOM 260 C ILE A 19 19.396 -2.692 -8.335 1.00 72.13 C ATOM 261 O ILE A 19 19.419 -1.755 -7.537 1.00 11.42 O ATOM 262 CB ILE A 19 21.313 -4.231 -7.906 1.00 33.44 C ATOM 263 CG1 ILE A 19 22.108 -5.316 -8.635 1.00 21.11 C ATOM 264 CG2 ILE A 19 20.232 -4.855 -7.035 1.00 53.51 C ATOM 265 CD1 ILE A 19 22.428 -6.515 -7.770 1.00 72.42 C ATOM 0 H ILE A 19 21.736 -1.476 -8.543 1.00 20.32 H new ATOM 0 HA ILE A 19 20.464 -3.792 -9.839 1.00 41.54 H new ATOM 0 HB ILE A 19 21.996 -3.676 -7.263 1.00 33.44 H new ATOM 0 HG12 ILE A 19 21.542 -5.647 -9.505 1.00 21.11 H new ATOM 0 HG13 ILE A 19 23.039 -4.886 -9.005 1.00 21.11 H new ATOM 0 HG21 ILE A 19 20.690 -5.543 -6.325 1.00 53.51 H new ATOM 0 HG22 ILE A 19 19.704 -4.071 -6.492 1.00 53.51 H new ATOM 0 HG23 ILE A 19 19.527 -5.398 -7.664 1.00 53.51 H new ATOM 0 HD11 ILE A 19 22.993 -7.243 -8.352 1.00 72.42 H new ATOM 0 HD12 ILE A 19 23.021 -6.197 -6.913 1.00 72.42 H new ATOM 0 HD13 ILE A 19 21.501 -6.970 -7.421 1.00 72.42 H new ATOM 277 N CYS A 20 18.271 -3.272 -8.738 1.00 33.10 N ATOM 278 CA CYS A 20 16.967 -2.830 -8.255 1.00 23.44 C ATOM 279 C CYS A 20 16.236 -3.967 -7.548 1.00 10.15 C ATOM 280 O CYS A 20 15.932 -4.995 -8.152 1.00 70.15 O ATOM 281 CB CYS A 20 16.120 -2.307 -9.415 1.00 43.14 C ATOM 282 SG CYS A 20 14.424 -1.881 -8.958 1.00 13.32 S ATOM 0 H CYS A 20 18.235 -4.049 -9.398 1.00 33.10 H new ATOM 0 HA CYS A 20 17.127 -2.023 -7.539 1.00 23.44 H new ATOM 0 HB2 CYS A 20 16.604 -1.425 -9.835 1.00 43.14 H new ATOM 0 HB3 CYS A 20 16.094 -3.062 -10.201 1.00 43.14 H new ATOM 0 HG CYS A 20 13.682 -1.850 -10.025 1.00 13.32 H new ATOM 288 N VAL A 21 15.958 -3.775 -6.262 1.00 34.21 N ATOM 289 CA VAL A 21 15.262 -4.784 -5.471 1.00 65.15 C ATOM 290 C VAL A 21 14.271 -4.141 -4.508 1.00 41.25 C ATOM 291 O VAL A 21 14.505 -3.044 -4.001 1.00 12.14 O ATOM 292 CB VAL A 21 16.253 -5.649 -4.669 1.00 72.15 C ATOM 293 CG1 VAL A 21 16.853 -6.732 -5.553 1.00 33.42 C ATOM 294 CG2 VAL A 21 17.344 -4.782 -4.059 1.00 70.35 C ATOM 0 H VAL A 21 16.204 -2.930 -5.746 1.00 34.21 H new ATOM 0 HA VAL A 21 14.721 -5.419 -6.173 1.00 65.15 H new ATOM 0 HB VAL A 21 15.711 -6.135 -3.858 1.00 72.15 H new ATOM 0 HG11 VAL A 21 17.550 -7.333 -4.969 1.00 33.42 H new ATOM 0 HG12 VAL A 21 16.057 -7.370 -5.937 1.00 33.42 H new ATOM 0 HG13 VAL A 21 17.382 -6.270 -6.387 1.00 33.42 H new ATOM 0 HG21 VAL A 21 18.035 -5.409 -3.496 1.00 70.35 H new ATOM 0 HG22 VAL A 21 17.886 -4.267 -4.852 1.00 70.35 H new ATOM 0 HG23 VAL A 21 16.894 -4.048 -3.391 1.00 70.35 H new ATOM 304 N VAL A 22 13.162 -4.831 -4.261 1.00 4.05 N ATOM 305 CA VAL A 22 12.135 -4.328 -3.357 1.00 31.14 C ATOM 306 C VAL A 22 12.636 -4.297 -1.917 1.00 63.52 C ATOM 307 O VAL A 22 13.569 -5.016 -1.559 1.00 1.20 O ATOM 308 CB VAL A 22 10.858 -5.186 -3.426 1.00 32.34 C ATOM 309 CG1 VAL A 22 10.329 -5.243 -4.851 1.00 32.24 C ATOM 310 CG2 VAL A 22 11.127 -6.585 -2.892 1.00 31.22 C ATOM 0 H VAL A 22 12.952 -5.740 -4.674 1.00 4.05 H new ATOM 0 HA VAL A 22 11.900 -3.313 -3.678 1.00 31.14 H new ATOM 0 HB VAL A 22 10.096 -4.723 -2.799 1.00 32.34 H new ATOM 0 HG11 VAL A 22 9.427 -5.854 -4.880 1.00 32.24 H new ATOM 0 HG12 VAL A 22 10.096 -4.235 -5.193 1.00 32.24 H new ATOM 0 HG13 VAL A 22 11.085 -5.682 -5.502 1.00 32.24 H new ATOM 0 HG21 VAL A 22 10.214 -7.178 -2.948 1.00 31.22 H new ATOM 0 HG22 VAL A 22 11.905 -7.059 -3.490 1.00 31.22 H new ATOM 0 HG23 VAL A 22 11.455 -6.522 -1.854 1.00 31.22 H new ATOM 320 N MET A 23 12.010 -3.461 -1.096 1.00 21.11 N ATOM 321 CA MET A 23 12.392 -3.338 0.306 1.00 20.21 C ATOM 322 C MET A 23 12.425 -4.705 0.982 1.00 22.04 C ATOM 323 O MET A 23 13.305 -4.984 1.797 1.00 2.31 O ATOM 324 CB MET A 23 11.419 -2.415 1.043 1.00 64.22 C ATOM 325 CG MET A 23 10.053 -3.037 1.280 1.00 73.14 C ATOM 326 SD MET A 23 8.753 -1.803 1.481 1.00 65.15 S ATOM 327 CE MET A 23 7.293 -2.798 1.185 1.00 4.33 C ATOM 0 H MET A 23 11.236 -2.859 -1.377 1.00 21.11 H new ATOM 0 HA MET A 23 13.392 -2.907 0.348 1.00 20.21 H new ATOM 0 HB2 MET A 23 11.853 -2.135 2.003 1.00 64.22 H new ATOM 0 HB3 MET A 23 11.296 -1.497 0.469 1.00 64.22 H new ATOM 0 HG2 MET A 23 9.804 -3.688 0.442 1.00 73.14 H new ATOM 0 HG3 MET A 23 10.093 -3.665 2.170 1.00 73.14 H new ATOM 0 HE1 MET A 23 6.403 -2.174 1.274 1.00 4.33 H new ATOM 0 HE2 MET A 23 7.339 -3.223 0.182 1.00 4.33 H new ATOM 0 HE3 MET A 23 7.247 -3.603 1.918 1.00 4.33 H new ATOM 337 N ASP A 24 11.462 -5.553 0.640 1.00 71.13 N ATOM 338 CA ASP A 24 11.382 -6.891 1.213 1.00 34.44 C ATOM 339 C ASP A 24 12.658 -7.679 0.935 1.00 30.32 C ATOM 340 O ASP A 24 13.143 -8.417 1.793 1.00 31.40 O ATOM 341 CB ASP A 24 10.173 -7.639 0.650 1.00 74.54 C ATOM 342 CG ASP A 24 9.697 -8.747 1.569 1.00 62.53 C ATOM 343 OD1 ASP A 24 9.287 -8.439 2.707 1.00 31.24 O ATOM 344 OD2 ASP A 24 9.734 -9.923 1.149 1.00 45.21 O ATOM 0 H ASP A 24 10.725 -5.337 -0.032 1.00 71.13 H new ATOM 0 HA ASP A 24 11.267 -6.790 2.292 1.00 34.44 H new ATOM 0 HB2 ASP A 24 9.359 -6.934 0.484 1.00 74.54 H new ATOM 0 HB3 ASP A 24 10.431 -8.062 -0.321 1.00 74.54 H new ATOM 349 N ARG A 25 13.196 -7.518 -0.269 1.00 62.11 N ATOM 350 CA ARG A 25 14.415 -8.216 -0.661 1.00 73.11 C ATOM 351 C ARG A 25 15.622 -7.286 -0.586 1.00 41.01 C ATOM 352 O ARG A 25 16.764 -7.719 -0.745 1.00 35.21 O ATOM 353 CB ARG A 25 14.275 -8.774 -2.079 1.00 33.25 C ATOM 354 CG ARG A 25 13.074 -9.688 -2.257 1.00 75.32 C ATOM 355 CD ARG A 25 13.067 -10.337 -3.632 1.00 63.54 C ATOM 356 NE ARG A 25 11.778 -10.949 -3.943 1.00 70.10 N ATOM 357 CZ ARG A 25 11.495 -11.513 -5.112 1.00 32.32 C ATOM 358 NH1 ARG A 25 12.405 -11.544 -6.075 1.00 4.31 N ATOM 359 NH2 ARG A 25 10.299 -12.049 -5.319 1.00 34.13 N ATOM 0 H ARG A 25 12.807 -6.910 -0.990 1.00 62.11 H new ATOM 0 HA ARG A 25 14.570 -9.042 0.034 1.00 73.11 H new ATOM 0 HB2 ARG A 25 14.197 -7.944 -2.781 1.00 33.25 H new ATOM 0 HB3 ARG A 25 15.181 -9.324 -2.335 1.00 33.25 H new ATOM 0 HG2 ARG A 25 13.087 -10.461 -1.489 1.00 75.32 H new ATOM 0 HG3 ARG A 25 12.156 -9.116 -2.119 1.00 75.32 H new ATOM 0 HD2 ARG A 25 13.304 -9.588 -4.387 1.00 63.54 H new ATOM 0 HD3 ARG A 25 13.849 -11.095 -3.679 1.00 63.54 H new ATOM 0 HE ARG A 25 11.055 -10.943 -3.223 1.00 70.10 H new ATOM 0 HH11 ARG A 25 13.326 -11.134 -5.920 1.00 4.31 H new ATOM 0 HH12 ARG A 25 12.184 -11.978 -6.971 1.00 4.31 H new ATOM 0 HH21 ARG A 25 9.596 -12.028 -4.580 1.00 34.13 H new ATOM 0 HH22 ARG A 25 10.083 -12.482 -6.217 1.00 34.13 H new ATOM 373 N PHE A 26 15.362 -6.006 -0.344 1.00 11.53 N ATOM 374 CA PHE A 26 16.427 -5.014 -0.249 1.00 53.42 C ATOM 375 C PHE A 26 17.319 -5.287 0.958 1.00 65.44 C ATOM 376 O PHE A 26 18.547 -5.254 0.857 1.00 53.41 O ATOM 377 CB PHE A 26 15.834 -3.606 -0.151 1.00 23.32 C ATOM 378 CG PHE A 26 16.863 -2.516 -0.235 1.00 45.50 C ATOM 379 CD1 PHE A 26 17.445 -2.186 -1.449 1.00 14.52 C ATOM 380 CD2 PHE A 26 17.249 -1.820 0.899 1.00 3.13 C ATOM 381 CE1 PHE A 26 18.392 -1.183 -1.529 1.00 4.22 C ATOM 382 CE2 PHE A 26 18.196 -0.816 0.825 1.00 4.25 C ATOM 383 CZ PHE A 26 18.768 -0.496 -0.391 1.00 31.35 C ATOM 0 H PHE A 26 14.423 -5.631 -0.210 1.00 11.53 H new ATOM 0 HA PHE A 26 17.035 -5.083 -1.151 1.00 53.42 H new ATOM 0 HB2 PHE A 26 15.106 -3.470 -0.951 1.00 23.32 H new ATOM 0 HB3 PHE A 26 15.293 -3.513 0.791 1.00 23.32 H new ATOM 0 HD1 PHE A 26 17.155 -2.719 -2.342 1.00 14.52 H new ATOM 0 HD2 PHE A 26 16.805 -2.065 1.852 1.00 3.13 H new ATOM 0 HE1 PHE A 26 18.838 -0.936 -2.481 1.00 4.22 H new ATOM 0 HE2 PHE A 26 18.489 -0.282 1.717 1.00 4.25 H new ATOM 0 HZ PHE A 26 19.507 0.289 -0.452 1.00 31.35 H new ATOM 393 N LEU A 27 16.695 -5.558 2.098 1.00 0.04 N ATOM 394 CA LEU A 27 17.432 -5.837 3.326 1.00 34.32 C ATOM 395 C LEU A 27 18.328 -7.060 3.157 1.00 3.42 C ATOM 396 O LEU A 27 19.509 -7.027 3.502 1.00 31.02 O ATOM 397 CB LEU A 27 16.461 -6.059 4.487 1.00 32.53 C ATOM 398 CG LEU A 27 15.364 -7.099 4.256 1.00 71.25 C ATOM 399 CD1 LEU A 27 15.747 -8.429 4.886 1.00 30.01 C ATOM 400 CD2 LEU A 27 14.036 -6.606 4.811 1.00 32.33 C ATOM 0 H LEU A 27 15.680 -5.591 2.198 1.00 0.04 H new ATOM 0 HA LEU A 27 18.062 -4.975 3.547 1.00 34.32 H new ATOM 0 HB2 LEU A 27 17.036 -6.356 5.364 1.00 32.53 H new ATOM 0 HB3 LEU A 27 15.987 -5.107 4.725 1.00 32.53 H new ATOM 0 HG LEU A 27 15.253 -7.249 3.182 1.00 71.25 H new ATOM 0 HD11 LEU A 27 14.954 -9.156 4.711 1.00 30.01 H new ATOM 0 HD12 LEU A 27 16.674 -8.789 4.440 1.00 30.01 H new ATOM 0 HD13 LEU A 27 15.888 -8.296 5.959 1.00 30.01 H new ATOM 0 HD21 LEU A 27 13.267 -7.359 4.638 1.00 32.33 H new ATOM 0 HD22 LEU A 27 14.133 -6.427 5.882 1.00 32.33 H new ATOM 0 HD23 LEU A 27 13.755 -5.679 4.312 1.00 32.33 H new ATOM 412 N GLU A 28 17.759 -8.135 2.622 1.00 22.31 N ATOM 413 CA GLU A 28 18.508 -9.367 2.406 1.00 24.51 C ATOM 414 C GLU A 28 19.549 -9.186 1.305 1.00 53.34 C ATOM 415 O GLU A 28 20.713 -9.550 1.469 1.00 0.24 O ATOM 416 CB GLU A 28 17.559 -10.511 2.042 1.00 11.14 C ATOM 417 CG GLU A 28 18.250 -11.858 1.912 1.00 51.20 C ATOM 418 CD GLU A 28 17.470 -12.833 1.052 1.00 35.02 C ATOM 419 OE1 GLU A 28 16.244 -12.957 1.260 1.00 42.23 O ATOM 420 OE2 GLU A 28 18.083 -13.472 0.173 1.00 64.34 O ATOM 0 H GLU A 28 16.783 -8.178 2.330 1.00 22.31 H new ATOM 0 HA GLU A 28 19.024 -9.614 3.334 1.00 24.51 H new ATOM 0 HB2 GLU A 28 16.782 -10.583 2.803 1.00 11.14 H new ATOM 0 HB3 GLU A 28 17.063 -10.274 1.101 1.00 11.14 H new ATOM 0 HG2 GLU A 28 19.242 -11.714 1.483 1.00 51.20 H new ATOM 0 HG3 GLU A 28 18.391 -12.287 2.904 1.00 51.20 H new ATOM 427 N SER A 29 19.119 -8.621 0.181 1.00 44.53 N ATOM 428 CA SER A 29 20.012 -8.394 -0.950 1.00 75.03 C ATOM 429 C SER A 29 21.245 -7.605 -0.520 1.00 73.40 C ATOM 430 O SER A 29 22.375 -8.073 -0.660 1.00 31.45 O ATOM 431 CB SER A 29 19.277 -7.646 -2.065 1.00 20.05 C ATOM 432 OG SER A 29 18.831 -6.377 -1.619 1.00 45.30 O ATOM 0 H SER A 29 18.159 -8.312 0.029 1.00 44.53 H new ATOM 0 HA SER A 29 20.336 -9.365 -1.325 1.00 75.03 H new ATOM 0 HB2 SER A 29 19.939 -7.522 -2.922 1.00 20.05 H new ATOM 0 HB3 SER A 29 18.425 -8.236 -2.403 1.00 20.05 H new ATOM 0 HG SER A 29 19.443 -5.683 -1.943 1.00 45.30 H new ATOM 438 N PHE A 30 21.019 -6.405 0.004 1.00 74.31 N ATOM 439 CA PHE A 30 22.110 -5.550 0.454 1.00 3.32 C ATOM 440 C PHE A 30 23.007 -6.288 1.443 1.00 24.03 C ATOM 441 O PHE A 30 24.233 -6.239 1.342 1.00 22.12 O ATOM 442 CB PHE A 30 21.557 -4.278 1.101 1.00 34.51 C ATOM 443 CG PHE A 30 22.323 -3.039 0.739 1.00 43.32 C ATOM 444 CD1 PHE A 30 23.685 -3.098 0.493 1.00 45.42 C ATOM 445 CD2 PHE A 30 21.682 -1.814 0.645 1.00 74.21 C ATOM 446 CE1 PHE A 30 24.394 -1.959 0.159 1.00 51.32 C ATOM 447 CE2 PHE A 30 22.385 -0.672 0.311 1.00 73.11 C ATOM 448 CZ PHE A 30 23.743 -0.744 0.069 1.00 74.22 C ATOM 0 H PHE A 30 20.090 -6.003 0.127 1.00 74.31 H new ATOM 0 HA PHE A 30 22.706 -5.277 -0.417 1.00 3.32 H new ATOM 0 HB2 PHE A 30 20.516 -4.152 0.803 1.00 34.51 H new ATOM 0 HB3 PHE A 30 21.566 -4.398 2.184 1.00 34.51 H new ATOM 0 HD1 PHE A 30 24.199 -4.045 0.563 1.00 45.42 H new ATOM 0 HD2 PHE A 30 20.621 -1.751 0.835 1.00 74.21 H new ATOM 0 HE1 PHE A 30 25.455 -2.019 -0.031 1.00 51.32 H new ATOM 0 HE2 PHE A 30 21.873 0.276 0.239 1.00 73.11 H new ATOM 0 HZ PHE A 30 24.295 0.148 -0.190 1.00 74.22 H new ATOM 458 N SER A 31 22.387 -6.971 2.400 1.00 71.21 N ATOM 459 CA SER A 31 23.128 -7.716 3.411 1.00 61.54 C ATOM 460 C SER A 31 24.098 -8.698 2.760 1.00 74.24 C ATOM 461 O SER A 31 25.255 -8.803 3.163 1.00 3.31 O ATOM 462 CB SER A 31 22.163 -8.468 4.330 1.00 65.43 C ATOM 463 OG SER A 31 22.835 -8.971 5.472 1.00 72.11 O ATOM 0 H SER A 31 21.373 -7.024 2.496 1.00 71.21 H new ATOM 0 HA SER A 31 23.702 -7.004 4.004 1.00 61.54 H new ATOM 0 HB2 SER A 31 21.359 -7.802 4.641 1.00 65.43 H new ATOM 0 HB3 SER A 31 21.702 -9.291 3.784 1.00 65.43 H new ATOM 0 HG SER A 31 22.197 -9.446 6.044 1.00 72.11 H new ATOM 469 N GLU A 32 23.615 -9.416 1.750 1.00 54.41 N ATOM 470 CA GLU A 32 24.438 -10.390 1.043 1.00 11.32 C ATOM 471 C GLU A 32 25.475 -9.692 0.167 1.00 75.30 C ATOM 472 O GLU A 32 26.628 -10.119 0.091 1.00 53.43 O ATOM 473 CB GLU A 32 23.562 -11.305 0.185 1.00 15.34 C ATOM 474 CG GLU A 32 24.267 -12.571 -0.270 1.00 72.20 C ATOM 475 CD GLU A 32 24.489 -13.554 0.863 1.00 64.53 C ATOM 476 OE1 GLU A 32 23.489 -14.021 1.448 1.00 43.41 O ATOM 477 OE2 GLU A 32 25.663 -13.858 1.164 1.00 14.41 O ATOM 0 H GLU A 32 22.659 -9.341 1.404 1.00 54.41 H new ATOM 0 HA GLU A 32 24.961 -10.993 1.786 1.00 11.32 H new ATOM 0 HB2 GLU A 32 22.672 -11.579 0.752 1.00 15.34 H new ATOM 0 HB3 GLU A 32 23.224 -10.753 -0.692 1.00 15.34 H new ATOM 0 HG2 GLU A 32 23.677 -13.050 -1.051 1.00 72.20 H new ATOM 0 HG3 GLU A 32 25.228 -12.308 -0.712 1.00 72.20 H new ATOM 484 N LEU A 33 25.056 -8.618 -0.493 1.00 72.43 N ATOM 485 CA LEU A 33 25.947 -7.861 -1.365 1.00 52.24 C ATOM 486 C LEU A 33 27.188 -7.400 -0.608 1.00 30.00 C ATOM 487 O LEU A 33 28.291 -7.382 -1.155 1.00 73.23 O ATOM 488 CB LEU A 33 25.214 -6.652 -1.950 1.00 30.01 C ATOM 489 CG LEU A 33 26.034 -5.754 -2.877 1.00 72.12 C ATOM 490 CD1 LEU A 33 26.839 -4.748 -2.071 1.00 5.44 C ATOM 491 CD2 LEU A 33 26.950 -6.591 -3.757 1.00 65.51 C ATOM 0 H LEU A 33 24.105 -8.252 -0.441 1.00 72.43 H new ATOM 0 HA LEU A 33 26.262 -8.516 -2.178 1.00 52.24 H new ATOM 0 HB2 LEU A 33 24.344 -7.011 -2.501 1.00 30.01 H new ATOM 0 HB3 LEU A 33 24.841 -6.045 -1.125 1.00 30.01 H new ATOM 0 HG LEU A 33 25.347 -5.205 -3.521 1.00 72.12 H new ATOM 0 HD11 LEU A 33 27.416 -4.118 -2.748 1.00 5.44 H new ATOM 0 HD12 LEU A 33 26.162 -4.126 -1.485 1.00 5.44 H new ATOM 0 HD13 LEU A 33 27.517 -5.277 -1.401 1.00 5.44 H new ATOM 0 HD21 LEU A 33 27.526 -5.935 -4.410 1.00 65.51 H new ATOM 0 HD22 LEU A 33 27.630 -7.167 -3.130 1.00 65.51 H new ATOM 0 HD23 LEU A 33 26.351 -7.271 -4.362 1.00 65.51 H new ATOM 503 N TYR A 34 27.001 -7.030 0.654 1.00 20.10 N ATOM 504 CA TYR A 34 28.105 -6.569 1.487 1.00 64.10 C ATOM 505 C TYR A 34 29.081 -7.706 1.776 1.00 44.43 C ATOM 506 O TYR A 34 30.287 -7.487 1.900 1.00 34.43 O ATOM 507 CB TYR A 34 27.575 -5.992 2.800 1.00 12.33 C ATOM 508 CG TYR A 34 28.640 -5.815 3.858 1.00 22.35 C ATOM 509 CD1 TYR A 34 29.713 -4.956 3.655 1.00 24.40 C ATOM 510 CD2 TYR A 34 28.575 -6.508 5.061 1.00 15.10 C ATOM 511 CE1 TYR A 34 30.690 -4.792 4.619 1.00 72.54 C ATOM 512 CE2 TYR A 34 29.545 -6.349 6.031 1.00 64.12 C ATOM 513 CZ TYR A 34 30.601 -5.491 5.805 1.00 40.41 C ATOM 514 OH TYR A 34 31.571 -5.331 6.768 1.00 51.31 O ATOM 0 H TYR A 34 26.095 -7.040 1.123 1.00 20.10 H new ATOM 0 HA TYR A 34 28.635 -5.788 0.942 1.00 64.10 H new ATOM 0 HB2 TYR A 34 27.109 -5.027 2.601 1.00 12.33 H new ATOM 0 HB3 TYR A 34 26.796 -6.649 3.187 1.00 12.33 H new ATOM 0 HD1 TYR A 34 29.785 -4.407 2.728 1.00 24.40 H new ATOM 0 HD2 TYR A 34 27.751 -7.183 5.240 1.00 15.10 H new ATOM 0 HE1 TYR A 34 31.518 -4.121 4.445 1.00 72.54 H new ATOM 0 HE2 TYR A 34 29.477 -6.893 6.961 1.00 64.12 H new ATOM 0 HH TYR A 34 31.359 -5.893 7.542 1.00 51.31 H new ATOM 524 N ASP A 35 28.551 -8.919 1.880 1.00 24.31 N ATOM 525 CA ASP A 35 29.374 -10.092 2.152 1.00 23.13 C ATOM 526 C ASP A 35 30.199 -10.473 0.927 1.00 62.40 C ATOM 527 O ASP A 35 31.297 -11.018 1.051 1.00 53.24 O ATOM 528 CB ASP A 35 28.496 -11.270 2.578 1.00 3.21 C ATOM 529 CG ASP A 35 28.818 -11.755 3.978 1.00 71.42 C ATOM 530 OD1 ASP A 35 30.002 -11.695 4.369 1.00 24.45 O ATOM 531 OD2 ASP A 35 27.885 -12.194 4.682 1.00 70.51 O ATOM 0 H ASP A 35 27.555 -9.116 1.780 1.00 24.31 H new ATOM 0 HA ASP A 35 30.057 -9.845 2.965 1.00 23.13 H new ATOM 0 HB2 ASP A 35 27.448 -10.974 2.531 1.00 3.21 H new ATOM 0 HB3 ASP A 35 28.627 -12.091 1.873 1.00 3.21 H new ATOM 536 N ILE A 36 29.663 -10.185 -0.254 1.00 51.10 N ATOM 537 CA ILE A 36 30.350 -10.498 -1.501 1.00 54.31 C ATOM 538 C ILE A 36 31.180 -9.313 -1.983 1.00 63.32 C ATOM 539 O ILE A 36 32.126 -9.478 -2.755 1.00 34.51 O ATOM 540 CB ILE A 36 29.355 -10.897 -2.607 1.00 13.41 C ATOM 541 CG1 ILE A 36 30.088 -11.098 -3.935 1.00 21.45 C ATOM 542 CG2 ILE A 36 28.270 -9.839 -2.750 1.00 61.31 C ATOM 543 CD1 ILE A 36 30.005 -9.903 -4.858 1.00 64.53 C ATOM 0 H ILE A 36 28.755 -9.735 -0.374 1.00 51.10 H new ATOM 0 HA ILE A 36 31.009 -11.341 -1.295 1.00 54.31 H new ATOM 0 HB ILE A 36 28.883 -11.839 -2.328 1.00 13.41 H new ATOM 0 HG12 ILE A 36 31.136 -11.318 -3.732 1.00 21.45 H new ATOM 0 HG13 ILE A 36 29.672 -11.968 -4.442 1.00 21.45 H new ATOM 0 HG21 ILE A 36 27.574 -10.135 -3.535 1.00 61.31 H new ATOM 0 HG22 ILE A 36 27.732 -9.740 -1.807 1.00 61.31 H new ATOM 0 HG23 ILE A 36 28.726 -8.884 -3.010 1.00 61.31 H new ATOM 0 HD11 ILE A 36 30.547 -10.117 -5.779 1.00 64.53 H new ATOM 0 HD12 ILE A 36 28.961 -9.695 -5.091 1.00 64.53 H new ATOM 0 HD13 ILE A 36 30.448 -9.035 -4.370 1.00 64.53 H new ATOM 555 N ILE A 37 30.822 -8.120 -1.522 1.00 3.21 N ATOM 556 CA ILE A 37 31.537 -6.908 -1.904 1.00 14.01 C ATOM 557 C ILE A 37 33.014 -7.002 -1.537 1.00 13.20 C ATOM 558 O ILE A 37 33.844 -6.267 -2.071 1.00 4.52 O ATOM 559 CB ILE A 37 30.930 -5.662 -1.232 1.00 5.30 C ATOM 560 CG1 ILE A 37 31.323 -4.399 -2.002 1.00 12.14 C ATOM 561 CG2 ILE A 37 31.384 -5.568 0.217 1.00 1.12 C ATOM 562 CD1 ILE A 37 30.628 -4.265 -3.338 1.00 74.43 C ATOM 0 H ILE A 37 30.041 -7.966 -0.884 1.00 3.21 H new ATOM 0 HA ILE A 37 31.440 -6.811 -2.985 1.00 14.01 H new ATOM 0 HB ILE A 37 29.844 -5.751 -1.247 1.00 5.30 H new ATOM 0 HG12 ILE A 37 31.092 -3.525 -1.392 1.00 12.14 H new ATOM 0 HG13 ILE A 37 32.401 -4.401 -2.161 1.00 12.14 H new ATOM 0 HG21 ILE A 37 30.947 -4.683 0.679 1.00 1.12 H new ATOM 0 HG22 ILE A 37 31.060 -6.457 0.758 1.00 1.12 H new ATOM 0 HG23 ILE A 37 32.471 -5.497 0.254 1.00 1.12 H new ATOM 0 HD11 ILE A 37 30.954 -3.347 -3.828 1.00 74.43 H new ATOM 0 HD12 ILE A 37 30.878 -5.120 -3.966 1.00 74.43 H new ATOM 0 HD13 ILE A 37 29.549 -4.231 -3.185 1.00 74.43 H new ATOM 574 N ASP A 38 33.334 -7.912 -0.624 1.00 61.10 N ATOM 575 CA ASP A 38 34.712 -8.105 -0.187 1.00 50.03 C ATOM 576 C ASP A 38 35.546 -8.750 -1.290 1.00 3.33 C ATOM 577 O ASP A 38 36.763 -8.577 -1.341 1.00 5.11 O ATOM 578 CB ASP A 38 34.754 -8.970 1.073 1.00 34.41 C ATOM 579 CG ASP A 38 35.996 -8.722 1.905 1.00 25.30 C ATOM 580 OD1 ASP A 38 36.809 -7.858 1.515 1.00 43.12 O ATOM 581 OD2 ASP A 38 36.156 -9.392 2.947 1.00 50.32 O ATOM 0 H ASP A 38 32.658 -8.528 -0.172 1.00 61.10 H new ATOM 0 HA ASP A 38 35.136 -7.127 0.040 1.00 50.03 H new ATOM 0 HB2 ASP A 38 33.869 -8.769 1.677 1.00 34.41 H new ATOM 0 HB3 ASP A 38 34.714 -10.022 0.789 1.00 34.41 H new ATOM 586 N GLU A 39 34.882 -9.494 -2.169 1.00 5.11 N ATOM 587 CA GLU A 39 35.564 -10.166 -3.269 1.00 2.21 C ATOM 588 C GLU A 39 36.297 -9.159 -4.151 1.00 51.00 C ATOM 589 O GLU A 39 36.330 -7.966 -3.853 1.00 42.22 O ATOM 590 CB GLU A 39 34.563 -10.962 -4.108 1.00 71.14 C ATOM 591 CG GLU A 39 34.076 -12.233 -3.432 1.00 43.31 C ATOM 592 CD GLU A 39 34.990 -13.416 -3.687 1.00 54.04 C ATOM 593 OE1 GLU A 39 35.281 -13.697 -4.868 1.00 73.55 O ATOM 594 OE2 GLU A 39 35.413 -14.060 -2.705 1.00 23.31 O ATOM 0 H GLU A 39 33.874 -9.647 -2.141 1.00 5.11 H new ATOM 0 HA GLU A 39 36.297 -10.852 -2.844 1.00 2.21 H new ATOM 0 HB2 GLU A 39 33.705 -10.328 -4.332 1.00 71.14 H new ATOM 0 HB3 GLU A 39 35.025 -11.221 -5.060 1.00 71.14 H new ATOM 0 HG2 GLU A 39 33.999 -12.063 -2.358 1.00 43.31 H new ATOM 0 HG3 GLU A 39 33.074 -12.469 -3.790 1.00 43.31 H new ATOM 601 N ASN A 40 36.884 -9.650 -5.238 1.00 35.12 N ATOM 602 CA ASN A 40 37.617 -8.794 -6.163 1.00 62.33 C ATOM 603 C ASN A 40 37.569 -9.358 -7.580 1.00 60.21 C ATOM 604 O ASN A 40 38.404 -9.024 -8.421 1.00 53.30 O ATOM 605 CB ASN A 40 39.071 -8.646 -5.710 1.00 61.43 C ATOM 606 CG ASN A 40 39.773 -7.486 -6.389 1.00 12.22 C ATOM 607 OD1 ASN A 40 39.424 -6.325 -6.175 1.00 41.43 O ATOM 608 ND2 ASN A 40 40.768 -7.796 -7.212 1.00 53.20 N ATOM 0 H ASN A 40 36.866 -10.636 -5.499 1.00 35.12 H new ATOM 0 HA ASN A 40 37.142 -7.813 -6.165 1.00 62.33 H new ATOM 0 HB2 ASN A 40 39.099 -8.502 -4.630 1.00 61.43 H new ATOM 0 HB3 ASN A 40 39.611 -9.569 -5.923 1.00 61.43 H new ATOM 0 HD21 ASN A 40 41.278 -7.057 -7.697 1.00 53.20 H new ATOM 0 HD22 ASN A 40 41.023 -8.773 -7.359 1.00 53.20 H new ATOM 615 N ASP A 41 36.586 -10.214 -7.837 1.00 24.40 N ATOM 616 CA ASP A 41 36.428 -10.824 -9.152 1.00 54.23 C ATOM 617 C ASP A 41 35.188 -10.281 -9.857 1.00 3.32 C ATOM 618 O ASP A 41 34.120 -10.164 -9.256 1.00 12.42 O ATOM 619 CB ASP A 41 36.332 -12.345 -9.025 1.00 15.01 C ATOM 620 CG ASP A 41 36.774 -13.061 -10.286 1.00 55.42 C ATOM 621 OD1 ASP A 41 37.993 -13.098 -10.550 1.00 63.20 O ATOM 622 OD2 ASP A 41 35.899 -13.582 -11.010 1.00 25.40 O ATOM 0 H ASP A 41 35.887 -10.501 -7.152 1.00 24.40 H new ATOM 0 HA ASP A 41 37.304 -10.572 -9.749 1.00 54.23 H new ATOM 0 HB2 ASP A 41 36.947 -12.676 -8.188 1.00 15.01 H new ATOM 0 HB3 ASP A 41 35.304 -12.623 -8.794 1.00 15.01 H new ATOM 627 N THR A 42 35.338 -9.949 -11.135 1.00 43.25 N ATOM 628 CA THR A 42 34.233 -9.416 -11.921 1.00 52.15 C ATOM 629 C THR A 42 33.177 -10.484 -12.181 1.00 30.55 C ATOM 630 O THR A 42 31.980 -10.197 -12.195 1.00 71.25 O ATOM 631 CB THR A 42 34.721 -8.856 -13.271 1.00 5.45 C ATOM 632 OG1 THR A 42 35.479 -9.850 -13.969 1.00 32.33 O ATOM 633 CG2 THR A 42 35.575 -7.614 -13.063 1.00 43.33 C ATOM 0 H THR A 42 36.215 -10.040 -11.648 1.00 43.25 H new ATOM 0 HA THR A 42 33.793 -8.607 -11.337 1.00 52.15 H new ATOM 0 HB THR A 42 33.848 -8.584 -13.864 1.00 5.45 H new ATOM 0 HG1 THR A 42 35.784 -9.487 -14.827 1.00 32.33 H new ATOM 0 HG21 THR A 42 35.909 -7.236 -14.029 1.00 43.33 H new ATOM 0 HG22 THR A 42 34.987 -6.848 -12.557 1.00 43.33 H new ATOM 0 HG23 THR A 42 36.442 -7.867 -12.453 1.00 43.33 H new ATOM 641 N ASP A 43 33.627 -11.718 -12.383 1.00 45.44 N ATOM 642 CA ASP A 43 32.721 -12.830 -12.640 1.00 74.42 C ATOM 643 C ASP A 43 31.806 -13.073 -11.444 1.00 22.45 C ATOM 644 O ASP A 43 30.614 -13.337 -11.603 1.00 64.30 O ATOM 645 CB ASP A 43 33.513 -14.099 -12.958 1.00 62.22 C ATOM 646 CG ASP A 43 32.730 -15.070 -13.819 1.00 61.54 C ATOM 647 OD1 ASP A 43 31.993 -14.608 -14.716 1.00 31.25 O ATOM 648 OD2 ASP A 43 32.855 -16.293 -13.598 1.00 0.10 O ATOM 0 H ASP A 43 34.615 -11.973 -12.374 1.00 45.44 H new ATOM 0 HA ASP A 43 32.104 -12.572 -13.500 1.00 74.42 H new ATOM 0 HB2 ASP A 43 34.437 -13.828 -13.469 1.00 62.22 H new ATOM 0 HB3 ASP A 43 33.796 -14.590 -12.027 1.00 62.22 H new ATOM 653 N VAL A 44 32.373 -12.984 -10.244 1.00 52.33 N ATOM 654 CA VAL A 44 31.609 -13.194 -9.020 1.00 40.23 C ATOM 655 C VAL A 44 30.624 -12.054 -8.785 1.00 32.41 C ATOM 656 O VAL A 44 29.492 -12.278 -8.356 1.00 3.32 O ATOM 657 CB VAL A 44 32.535 -13.319 -7.796 1.00 13.34 C ATOM 658 CG1 VAL A 44 31.730 -13.236 -6.507 1.00 61.43 C ATOM 659 CG2 VAL A 44 33.327 -14.616 -7.857 1.00 51.12 C ATOM 0 H VAL A 44 33.359 -12.768 -10.094 1.00 52.33 H new ATOM 0 HA VAL A 44 31.058 -14.126 -9.146 1.00 40.23 H new ATOM 0 HB VAL A 44 33.241 -12.489 -7.810 1.00 13.34 H new ATOM 0 HG11 VAL A 44 32.401 -13.326 -5.653 1.00 61.43 H new ATOM 0 HG12 VAL A 44 31.212 -12.278 -6.462 1.00 61.43 H new ATOM 0 HG13 VAL A 44 30.999 -14.045 -6.482 1.00 61.43 H new ATOM 0 HG21 VAL A 44 33.976 -14.687 -6.984 1.00 51.12 H new ATOM 0 HG22 VAL A 44 32.640 -15.462 -7.868 1.00 51.12 H new ATOM 0 HG23 VAL A 44 33.934 -14.630 -8.762 1.00 51.12 H new ATOM 669 N MET A 45 31.062 -10.832 -9.069 1.00 60.43 N ATOM 670 CA MET A 45 30.217 -9.657 -8.890 1.00 64.11 C ATOM 671 C MET A 45 29.106 -9.622 -9.934 1.00 71.12 C ATOM 672 O MET A 45 27.944 -9.379 -9.609 1.00 61.12 O ATOM 673 CB MET A 45 31.057 -8.381 -8.979 1.00 32.13 C ATOM 674 CG MET A 45 31.220 -7.667 -7.647 1.00 31.45 C ATOM 675 SD MET A 45 31.540 -5.903 -7.838 1.00 70.33 S ATOM 676 CE MET A 45 29.890 -5.295 -8.179 1.00 1.02 C ATOM 0 H MET A 45 31.997 -10.630 -9.424 1.00 60.43 H new ATOM 0 HA MET A 45 29.761 -9.715 -7.902 1.00 64.11 H new ATOM 0 HB2 MET A 45 32.043 -8.631 -9.371 1.00 32.13 H new ATOM 0 HB3 MET A 45 30.594 -7.700 -9.693 1.00 32.13 H new ATOM 0 HG2 MET A 45 30.317 -7.806 -7.052 1.00 31.45 H new ATOM 0 HG3 MET A 45 32.040 -8.123 -7.093 1.00 31.45 H new ATOM 0 HE1 MET A 45 29.856 -4.219 -8.007 1.00 1.02 H new ATOM 0 HE2 MET A 45 29.632 -5.505 -9.217 1.00 1.02 H new ATOM 0 HE3 MET A 45 29.176 -5.790 -7.521 1.00 1.02 H new ATOM 686 N MET A 46 29.471 -9.866 -11.189 1.00 13.13 N ATOM 687 CA MET A 46 28.503 -9.863 -12.280 1.00 1.22 C ATOM 688 C MET A 46 27.525 -11.025 -12.142 1.00 14.20 C ATOM 689 O MET A 46 26.335 -10.884 -12.428 1.00 65.42 O ATOM 690 CB MET A 46 29.222 -9.943 -13.628 1.00 22.42 C ATOM 691 CG MET A 46 29.906 -11.279 -13.873 1.00 1.42 C ATOM 692 SD MET A 46 28.873 -12.428 -14.801 1.00 33.31 S ATOM 693 CE MET A 46 29.350 -12.032 -16.481 1.00 60.01 C ATOM 0 H MET A 46 30.429 -10.068 -11.475 1.00 13.13 H new ATOM 0 HA MET A 46 27.941 -8.931 -12.231 1.00 1.22 H new ATOM 0 HB2 MET A 46 28.502 -9.761 -14.426 1.00 22.42 H new ATOM 0 HB3 MET A 46 29.966 -9.148 -13.682 1.00 22.42 H new ATOM 0 HG2 MET A 46 30.836 -11.112 -14.416 1.00 1.42 H new ATOM 0 HG3 MET A 46 30.172 -11.727 -12.916 1.00 1.42 H new ATOM 0 HE1 MET A 46 28.794 -12.662 -17.175 1.00 60.01 H new ATOM 0 HE2 MET A 46 29.128 -10.984 -16.685 1.00 60.01 H new ATOM 0 HE3 MET A 46 30.418 -12.208 -16.607 1.00 60.01 H new ATOM 703 N ASP A 47 28.032 -12.171 -11.703 1.00 5.03 N ATOM 704 CA ASP A 47 27.203 -13.357 -11.526 1.00 73.24 C ATOM 705 C ASP A 47 26.290 -13.207 -10.313 1.00 5.20 C ATOM 706 O ASP A 47 25.121 -13.591 -10.351 1.00 2.41 O ATOM 707 CB ASP A 47 28.080 -14.600 -11.370 1.00 33.54 C ATOM 708 CG ASP A 47 27.264 -15.873 -11.252 1.00 63.11 C ATOM 709 OD1 ASP A 47 26.239 -15.988 -11.956 1.00 3.41 O ATOM 710 OD2 ASP A 47 27.651 -16.754 -10.456 1.00 34.34 O ATOM 0 H ASP A 47 29.014 -12.304 -11.463 1.00 5.03 H new ATOM 0 HA ASP A 47 26.581 -13.470 -12.414 1.00 73.24 H new ATOM 0 HB2 ASP A 47 28.749 -14.679 -12.227 1.00 33.54 H new ATOM 0 HB3 ASP A 47 28.707 -14.490 -10.485 1.00 33.54 H new ATOM 715 N PHE A 48 26.833 -12.647 -9.237 1.00 1.21 N ATOM 716 CA PHE A 48 26.069 -12.447 -8.011 1.00 72.51 C ATOM 717 C PHE A 48 25.000 -11.376 -8.205 1.00 11.13 C ATOM 718 O PHE A 48 23.851 -11.549 -7.796 1.00 4.02 O ATOM 719 CB PHE A 48 27.000 -12.053 -6.863 1.00 20.33 C ATOM 720 CG PHE A 48 26.274 -11.555 -5.646 1.00 52.43 C ATOM 721 CD1 PHE A 48 25.906 -10.223 -5.540 1.00 74.13 C ATOM 722 CD2 PHE A 48 25.960 -12.417 -4.608 1.00 72.35 C ATOM 723 CE1 PHE A 48 25.237 -9.761 -4.422 1.00 52.14 C ATOM 724 CE2 PHE A 48 25.291 -11.961 -3.488 1.00 51.05 C ATOM 725 CZ PHE A 48 24.930 -10.631 -3.395 1.00 0.03 C ATOM 0 H PHE A 48 27.799 -12.324 -9.189 1.00 1.21 H new ATOM 0 HA PHE A 48 25.576 -13.387 -7.763 1.00 72.51 H new ATOM 0 HB2 PHE A 48 27.608 -12.915 -6.586 1.00 20.33 H new ATOM 0 HB3 PHE A 48 27.684 -11.279 -7.210 1.00 20.33 H new ATOM 0 HD1 PHE A 48 26.145 -9.538 -6.340 1.00 74.13 H new ATOM 0 HD2 PHE A 48 26.241 -13.458 -4.675 1.00 72.35 H new ATOM 0 HE1 PHE A 48 24.955 -8.721 -4.352 1.00 52.14 H new ATOM 0 HE2 PHE A 48 25.051 -12.644 -2.686 1.00 51.05 H new ATOM 0 HZ PHE A 48 24.408 -10.272 -2.520 1.00 0.03 H new ATOM 735 N ILE A 49 25.387 -10.269 -8.830 1.00 73.31 N ATOM 736 CA ILE A 49 24.462 -9.170 -9.079 1.00 4.05 C ATOM 737 C ILE A 49 23.395 -9.568 -10.092 1.00 51.33 C ATOM 738 O ILE A 49 22.221 -9.229 -9.939 1.00 25.13 O ATOM 739 CB ILE A 49 25.200 -7.919 -9.591 1.00 1.11 C ATOM 740 CG1 ILE A 49 25.612 -7.027 -8.418 1.00 11.20 C ATOM 741 CG2 ILE A 49 24.323 -7.149 -10.566 1.00 54.14 C ATOM 742 CD1 ILE A 49 26.990 -7.338 -7.877 1.00 50.31 C ATOM 0 H ILE A 49 26.334 -10.109 -9.173 1.00 73.31 H new ATOM 0 HA ILE A 49 23.985 -8.936 -8.127 1.00 4.05 H new ATOM 0 HB ILE A 49 26.101 -8.236 -10.116 1.00 1.11 H new ATOM 0 HG12 ILE A 49 25.582 -5.985 -8.737 1.00 11.20 H new ATOM 0 HG13 ILE A 49 24.882 -7.136 -7.616 1.00 11.20 H new ATOM 0 HG21 ILE A 49 24.858 -6.268 -10.919 1.00 54.14 H new ATOM 0 HG22 ILE A 49 24.075 -7.787 -11.414 1.00 54.14 H new ATOM 0 HG23 ILE A 49 23.406 -6.840 -10.064 1.00 54.14 H new ATOM 0 HD11 ILE A 49 27.215 -6.667 -7.048 1.00 50.31 H new ATOM 0 HD12 ILE A 49 27.019 -8.370 -7.527 1.00 50.31 H new ATOM 0 HD13 ILE A 49 27.730 -7.201 -8.666 1.00 50.31 H new ATOM 754 N SER A 50 23.810 -10.290 -11.128 1.00 20.00 N ATOM 755 CA SER A 50 22.890 -10.733 -12.169 1.00 31.01 C ATOM 756 C SER A 50 21.854 -11.699 -11.603 1.00 34.03 C ATOM 757 O SER A 50 20.678 -11.648 -11.965 1.00 41.10 O ATOM 758 CB SER A 50 23.660 -11.404 -13.308 1.00 51.52 C ATOM 759 OG SER A 50 22.775 -11.922 -14.286 1.00 31.32 O ATOM 0 H SER A 50 24.778 -10.581 -11.269 1.00 20.00 H new ATOM 0 HA SER A 50 22.371 -9.857 -12.557 1.00 31.01 H new ATOM 0 HB2 SER A 50 24.335 -10.683 -13.769 1.00 51.52 H new ATOM 0 HB3 SER A 50 24.278 -12.209 -12.909 1.00 51.52 H new ATOM 0 HG SER A 50 23.292 -12.344 -15.004 1.00 31.32 H new ATOM 765 N ARG A 51 22.299 -12.579 -10.712 1.00 32.02 N ATOM 766 CA ARG A 51 21.411 -13.558 -10.096 1.00 24.12 C ATOM 767 C ARG A 51 20.535 -12.904 -9.032 1.00 11.22 C ATOM 768 O ARG A 51 19.407 -13.335 -8.791 1.00 0.53 O ATOM 769 CB ARG A 51 22.225 -14.695 -9.474 1.00 14.44 C ATOM 770 CG ARG A 51 22.979 -14.288 -8.218 1.00 55.31 C ATOM 771 CD ARG A 51 23.535 -15.498 -7.485 1.00 62.55 C ATOM 772 NE ARG A 51 22.484 -16.436 -7.100 1.00 12.12 N ATOM 773 CZ ARG A 51 22.720 -17.607 -6.519 1.00 62.14 C ATOM 774 NH1 ARG A 51 23.965 -17.982 -6.259 1.00 31.33 N ATOM 775 NH2 ARG A 51 21.710 -18.406 -6.198 1.00 43.41 N ATOM 0 H ARG A 51 23.269 -12.634 -10.401 1.00 32.02 H new ATOM 0 HA ARG A 51 20.765 -13.965 -10.873 1.00 24.12 H new ATOM 0 HB2 ARG A 51 21.555 -15.521 -9.234 1.00 14.44 H new ATOM 0 HB3 ARG A 51 22.937 -15.066 -10.211 1.00 14.44 H new ATOM 0 HG2 ARG A 51 23.795 -13.616 -8.484 1.00 55.31 H new ATOM 0 HG3 ARG A 51 22.313 -13.735 -7.556 1.00 55.31 H new ATOM 0 HD2 ARG A 51 24.259 -16.006 -8.122 1.00 62.55 H new ATOM 0 HD3 ARG A 51 24.070 -15.168 -6.595 1.00 62.55 H new ATOM 0 HE ARG A 51 21.515 -16.178 -7.288 1.00 12.12 H new ATOM 0 HH11 ARG A 51 24.744 -17.371 -6.505 1.00 31.33 H new ATOM 0 HH12 ARG A 51 24.144 -18.882 -5.813 1.00 31.33 H new ATOM 0 HH21 ARG A 51 20.751 -18.121 -6.397 1.00 43.41 H new ATOM 0 HH22 ARG A 51 21.893 -19.305 -5.752 1.00 43.41 H new ATOM 789 N PHE A 52 21.062 -11.861 -8.398 1.00 34.42 N ATOM 790 CA PHE A 52 20.328 -11.148 -7.358 1.00 62.34 C ATOM 791 C PHE A 52 19.424 -10.080 -7.966 1.00 74.43 C ATOM 792 O PHE A 52 18.503 -9.588 -7.315 1.00 53.13 O ATOM 793 CB PHE A 52 21.301 -10.505 -6.368 1.00 21.21 C ATOM 794 CG PHE A 52 21.454 -11.279 -5.090 1.00 21.13 C ATOM 795 CD1 PHE A 52 22.251 -12.411 -5.041 1.00 65.21 C ATOM 796 CD2 PHE A 52 20.801 -10.874 -3.937 1.00 30.21 C ATOM 797 CE1 PHE A 52 22.393 -13.125 -3.866 1.00 62.44 C ATOM 798 CE2 PHE A 52 20.939 -11.584 -2.759 1.00 62.20 C ATOM 799 CZ PHE A 52 21.737 -12.711 -2.724 1.00 3.33 C ATOM 0 H PHE A 52 21.994 -11.491 -8.586 1.00 34.42 H new ATOM 0 HA PHE A 52 19.705 -11.868 -6.829 1.00 62.34 H new ATOM 0 HB2 PHE A 52 22.277 -10.406 -6.843 1.00 21.21 H new ATOM 0 HB3 PHE A 52 20.956 -9.498 -6.134 1.00 21.21 H new ATOM 0 HD1 PHE A 52 22.767 -12.739 -5.931 1.00 65.21 H new ATOM 0 HD2 PHE A 52 20.177 -9.993 -3.959 1.00 30.21 H new ATOM 0 HE1 PHE A 52 23.017 -14.006 -3.841 1.00 62.44 H new ATOM 0 HE2 PHE A 52 20.424 -11.258 -1.868 1.00 62.20 H new ATOM 0 HZ PHE A 52 21.848 -13.267 -1.805 1.00 3.33 H new ATOM 809 N ALA A 53 19.694 -9.727 -9.219 1.00 21.24 N ATOM 810 CA ALA A 53 18.905 -8.719 -9.916 1.00 32.35 C ATOM 811 C ALA A 53 18.198 -9.317 -11.127 1.00 51.14 C ATOM 812 O ALA A 53 18.443 -10.465 -11.497 1.00 31.42 O ATOM 813 CB ALA A 53 19.789 -7.556 -10.339 1.00 3.14 C ATOM 0 H ALA A 53 20.453 -10.125 -9.772 1.00 21.24 H new ATOM 0 HA ALA A 53 18.143 -8.350 -9.229 1.00 32.35 H new ATOM 0 HB1 ALA A 53 19.186 -6.811 -10.858 1.00 3.14 H new ATOM 0 HB2 ALA A 53 20.243 -7.105 -9.457 1.00 3.14 H new ATOM 0 HB3 ALA A 53 20.572 -7.918 -11.005 1.00 3.14 H new ATOM 819 N ARG A 54 17.320 -8.531 -11.742 1.00 12.24 N ATOM 820 CA ARG A 54 16.576 -8.984 -12.911 1.00 10.42 C ATOM 821 C ARG A 54 16.070 -7.797 -13.726 1.00 71.32 C ATOM 822 O ARG A 54 15.095 -7.911 -14.470 1.00 32.21 O ATOM 823 CB ARG A 54 15.399 -9.862 -12.484 1.00 34.11 C ATOM 824 CG ARG A 54 14.898 -10.786 -13.582 1.00 42.14 C ATOM 825 CD ARG A 54 15.620 -12.124 -13.556 1.00 73.24 C ATOM 826 NE ARG A 54 15.079 -13.057 -14.542 1.00 43.41 N ATOM 827 CZ ARG A 54 15.712 -14.155 -14.939 1.00 43.11 C ATOM 828 NH1 ARG A 54 16.902 -14.457 -14.437 1.00 15.14 N ATOM 829 NH2 ARG A 54 15.155 -14.954 -15.840 1.00 64.02 N ATOM 0 H ARG A 54 17.107 -7.577 -11.450 1.00 12.24 H new ATOM 0 HA ARG A 54 17.250 -9.571 -13.535 1.00 10.42 H new ATOM 0 HB2 ARG A 54 15.697 -10.462 -11.624 1.00 34.11 H new ATOM 0 HB3 ARG A 54 14.579 -9.222 -12.157 1.00 34.11 H new ATOM 0 HG2 ARG A 54 13.827 -10.947 -13.463 1.00 42.14 H new ATOM 0 HG3 ARG A 54 15.043 -10.312 -14.553 1.00 42.14 H new ATOM 0 HD2 ARG A 54 16.681 -11.967 -13.749 1.00 73.24 H new ATOM 0 HD3 ARG A 54 15.538 -12.561 -12.561 1.00 73.24 H new ATOM 0 HE ARG A 54 14.165 -12.854 -14.947 1.00 43.41 H new ATOM 0 HH11 ARG A 54 17.333 -13.845 -13.744 1.00 15.14 H new ATOM 0 HH12 ARG A 54 17.386 -15.301 -14.744 1.00 15.14 H new ATOM 0 HH21 ARG A 54 14.240 -14.725 -16.228 1.00 64.02 H new ATOM 0 HH22 ARG A 54 15.642 -15.797 -16.144 1.00 64.02 H new ATOM 843 N THR A 55 16.739 -6.658 -13.581 1.00 51.43 N ATOM 844 CA THR A 55 16.357 -5.450 -14.302 1.00 54.02 C ATOM 845 C THR A 55 14.856 -5.203 -14.204 1.00 75.24 C ATOM 846 O THR A 55 14.089 -5.634 -15.066 1.00 34.24 O ATOM 847 CB THR A 55 16.756 -5.532 -15.788 1.00 22.25 C ATOM 848 OG1 THR A 55 16.640 -6.882 -16.252 1.00 41.31 O ATOM 849 CG2 THR A 55 18.181 -5.041 -15.993 1.00 1.34 C ATOM 0 H THR A 55 17.549 -6.546 -12.971 1.00 51.43 H new ATOM 0 HA THR A 55 16.890 -4.622 -13.835 1.00 54.02 H new ATOM 0 HB THR A 55 16.082 -4.893 -16.359 1.00 22.25 H new ATOM 0 HG1 THR A 55 15.761 -7.238 -16.006 1.00 41.31 H new ATOM 0 HG21 THR A 55 18.441 -5.108 -17.050 1.00 1.34 H new ATOM 0 HG22 THR A 55 18.259 -4.004 -15.665 1.00 1.34 H new ATOM 0 HG23 THR A 55 18.866 -5.658 -15.411 1.00 1.34 H new ATOM 857 N ASP A 56 14.443 -4.507 -13.151 1.00 53.11 N ATOM 858 CA ASP A 56 13.032 -4.201 -12.942 1.00 23.02 C ATOM 859 C ASP A 56 12.843 -2.731 -12.581 1.00 52.25 C ATOM 860 O ASP A 56 13.771 -2.072 -12.115 1.00 24.33 O ATOM 861 CB ASP A 56 12.454 -5.088 -11.838 1.00 63.11 C ATOM 862 CG ASP A 56 11.947 -6.415 -12.368 1.00 14.31 C ATOM 863 OD1 ASP A 56 11.441 -6.444 -13.509 1.00 55.44 O ATOM 864 OD2 ASP A 56 12.056 -7.424 -11.641 1.00 62.33 O ATOM 0 H ASP A 56 15.065 -4.144 -12.429 1.00 53.11 H new ATOM 0 HA ASP A 56 12.501 -4.400 -13.873 1.00 23.02 H new ATOM 0 HB2 ASP A 56 13.220 -5.270 -11.084 1.00 63.11 H new ATOM 0 HB3 ASP A 56 11.638 -4.562 -11.343 1.00 63.11 H new ATOM 869 N GLU A 57 11.634 -2.223 -12.803 1.00 21.52 N ATOM 870 CA GLU A 57 11.324 -0.830 -12.503 1.00 25.51 C ATOM 871 C GLU A 57 10.172 -0.731 -11.507 1.00 25.40 C ATOM 872 O GLU A 57 9.754 -1.732 -10.925 1.00 20.45 O ATOM 873 CB GLU A 57 10.970 -0.076 -13.786 1.00 2.10 C ATOM 874 CG GLU A 57 9.629 -0.477 -14.377 1.00 42.14 C ATOM 875 CD GLU A 57 9.563 -0.256 -15.876 1.00 61.11 C ATOM 876 OE1 GLU A 57 10.511 0.338 -16.431 1.00 54.12 O ATOM 877 OE2 GLU A 57 8.563 -0.678 -16.494 1.00 21.32 O ATOM 0 H GLU A 57 10.854 -2.755 -13.189 1.00 21.52 H new ATOM 0 HA GLU A 57 12.208 -0.376 -12.055 1.00 25.51 H new ATOM 0 HB2 GLU A 57 10.960 0.994 -13.578 1.00 2.10 H new ATOM 0 HB3 GLU A 57 11.751 -0.250 -14.527 1.00 2.10 H new ATOM 0 HG2 GLU A 57 9.440 -1.528 -14.160 1.00 42.14 H new ATOM 0 HG3 GLU A 57 8.837 0.096 -13.894 1.00 42.14 H new ATOM 884 N ILE A 58 9.665 0.482 -11.317 1.00 24.12 N ATOM 885 CA ILE A 58 8.562 0.712 -10.392 1.00 61.14 C ATOM 886 C ILE A 58 7.276 1.041 -11.143 1.00 11.24 C ATOM 887 O ILE A 58 7.257 1.916 -12.008 1.00 61.43 O ATOM 888 CB ILE A 58 8.879 1.856 -9.412 1.00 15.52 C ATOM 889 CG1 ILE A 58 9.634 2.977 -10.129 1.00 13.52 C ATOM 890 CG2 ILE A 58 9.687 1.336 -8.233 1.00 30.41 C ATOM 891 CD1 ILE A 58 11.135 2.796 -10.121 1.00 64.52 C ATOM 0 H ILE A 58 10.000 1.321 -11.791 1.00 24.12 H new ATOM 0 HA ILE A 58 8.425 -0.210 -9.828 1.00 61.14 H new ATOM 0 HB ILE A 58 7.940 2.260 -9.033 1.00 15.52 H new ATOM 0 HG12 ILE A 58 9.289 3.034 -11.161 1.00 13.52 H new ATOM 0 HG13 ILE A 58 9.388 3.929 -9.658 1.00 13.52 H new ATOM 0 HG21 ILE A 58 9.903 2.157 -7.549 1.00 30.41 H new ATOM 0 HG22 ILE A 58 9.115 0.569 -7.710 1.00 30.41 H new ATOM 0 HG23 ILE A 58 10.623 0.908 -8.593 1.00 30.41 H new ATOM 0 HD11 ILE A 58 11.605 3.627 -10.647 1.00 64.52 H new ATOM 0 HD12 ILE A 58 11.493 2.769 -9.092 1.00 64.52 H new ATOM 0 HD13 ILE A 58 11.391 1.861 -10.619 1.00 64.52 H new ATOM 903 N MET A 59 6.202 0.336 -10.803 1.00 21.22 N ATOM 904 CA MET A 59 4.910 0.556 -11.442 1.00 60.44 C ATOM 905 C MET A 59 4.244 1.818 -10.903 1.00 63.23 C ATOM 906 O MET A 59 4.613 2.343 -9.853 1.00 23.34 O ATOM 907 CB MET A 59 3.996 -0.651 -11.222 1.00 31.21 C ATOM 908 CG MET A 59 3.840 -1.529 -12.453 1.00 42.44 C ATOM 909 SD MET A 59 3.964 -3.287 -12.074 1.00 2.14 S ATOM 910 CE MET A 59 4.748 -3.900 -13.563 1.00 20.43 C ATOM 0 H MET A 59 6.201 -0.392 -10.089 1.00 21.22 H new ATOM 0 HA MET A 59 5.079 0.685 -12.511 1.00 60.44 H new ATOM 0 HB2 MET A 59 4.393 -1.253 -10.405 1.00 31.21 H new ATOM 0 HB3 MET A 59 3.013 -0.299 -10.910 1.00 31.21 H new ATOM 0 HG2 MET A 59 2.874 -1.329 -12.917 1.00 42.44 H new ATOM 0 HG3 MET A 59 4.605 -1.264 -13.183 1.00 42.44 H new ATOM 0 HE1 MET A 59 4.893 -4.977 -13.481 1.00 20.43 H new ATOM 0 HE2 MET A 59 4.115 -3.683 -14.423 1.00 20.43 H new ATOM 0 HE3 MET A 59 5.715 -3.413 -13.692 1.00 20.43 H new ATOM 920 N PRO A 60 3.240 2.318 -11.638 1.00 13.00 N ATOM 921 CA PRO A 60 2.502 3.524 -11.252 1.00 54.54 C ATOM 922 C PRO A 60 1.623 3.300 -10.026 1.00 64.33 C ATOM 923 O PRO A 60 1.173 4.253 -9.392 1.00 21.13 O ATOM 924 CB PRO A 60 1.638 3.820 -12.482 1.00 5.15 C ATOM 925 CG PRO A 60 1.472 2.501 -13.154 1.00 3.21 C ATOM 926 CD PRO A 60 2.747 1.744 -12.901 1.00 53.12 C ATOM 0 HA PRO A 60 3.171 4.339 -10.976 1.00 54.54 H new ATOM 0 HB2 PRO A 60 0.675 4.243 -12.197 1.00 5.15 H new ATOM 0 HB3 PRO A 60 2.121 4.542 -13.141 1.00 5.15 H new ATOM 0 HG2 PRO A 60 0.613 1.964 -12.752 1.00 3.21 H new ATOM 0 HG3 PRO A 60 1.298 2.627 -14.223 1.00 3.21 H new ATOM 0 HD2 PRO A 60 2.567 0.673 -12.812 1.00 53.12 H new ATOM 0 HD3 PRO A 60 3.463 1.881 -13.711 1.00 53.12 H new ATOM 934 N GLU A 61 1.385 2.034 -9.699 1.00 34.40 N ATOM 935 CA GLU A 61 0.559 1.685 -8.548 1.00 45.33 C ATOM 936 C GLU A 61 1.394 1.647 -7.272 1.00 4.44 C ATOM 937 O GLU A 61 0.860 1.727 -6.165 1.00 43.42 O ATOM 938 CB GLU A 61 -0.117 0.331 -8.769 1.00 22.41 C ATOM 939 CG GLU A 61 0.806 -0.855 -8.542 1.00 3.33 C ATOM 940 CD GLU A 61 0.357 -2.096 -9.288 1.00 40.43 C ATOM 941 OE1 GLU A 61 -0.511 -2.822 -8.761 1.00 73.53 O ATOM 942 OE2 GLU A 61 0.873 -2.340 -10.399 1.00 22.24 O ATOM 0 H GLU A 61 1.752 1.233 -10.214 1.00 34.40 H new ATOM 0 HA GLU A 61 -0.208 2.451 -8.437 1.00 45.33 H new ATOM 0 HB2 GLU A 61 -0.973 0.248 -8.099 1.00 22.41 H new ATOM 0 HB3 GLU A 61 -0.504 0.290 -9.787 1.00 22.41 H new ATOM 0 HG2 GLU A 61 1.815 -0.591 -8.858 1.00 3.33 H new ATOM 0 HG3 GLU A 61 0.854 -1.074 -7.475 1.00 3.33 H new ATOM 949 N ASP A 62 2.707 1.524 -7.434 1.00 1.22 N ATOM 950 CA ASP A 62 3.617 1.476 -6.295 1.00 61.13 C ATOM 951 C ASP A 62 4.599 2.643 -6.334 1.00 72.04 C ATOM 952 O ASP A 62 4.405 3.607 -7.075 1.00 12.20 O ATOM 953 CB ASP A 62 4.381 0.151 -6.282 1.00 20.04 C ATOM 954 CG ASP A 62 3.634 -0.955 -7.000 1.00 61.42 C ATOM 955 OD1 ASP A 62 2.763 -1.590 -6.370 1.00 32.35 O ATOM 956 OD2 ASP A 62 3.920 -1.186 -8.194 1.00 3.25 O ATOM 0 H ASP A 62 3.165 1.456 -8.343 1.00 1.22 H new ATOM 0 HA ASP A 62 3.024 1.554 -5.384 1.00 61.13 H new ATOM 0 HB2 ASP A 62 5.355 0.292 -6.751 1.00 20.04 H new ATOM 0 HB3 ASP A 62 4.565 -0.149 -5.250 1.00 20.04 H new ATOM 961 N LYS A 63 5.653 2.550 -5.531 1.00 62.44 N ATOM 962 CA LYS A 63 6.666 3.597 -5.473 1.00 63.52 C ATOM 963 C LYS A 63 8.012 3.028 -5.035 1.00 61.42 C ATOM 964 O LYS A 63 8.136 1.832 -4.768 1.00 74.21 O ATOM 965 CB LYS A 63 6.231 4.703 -4.510 1.00 52.32 C ATOM 966 CG LYS A 63 5.215 4.246 -3.478 1.00 10.23 C ATOM 967 CD LYS A 63 5.155 5.198 -2.295 1.00 52.41 C ATOM 968 CE LYS A 63 4.456 6.499 -2.661 1.00 75.53 C ATOM 969 NZ LYS A 63 4.591 7.523 -1.589 1.00 23.43 N ATOM 0 H LYS A 63 5.828 1.759 -4.911 1.00 62.44 H new ATOM 0 HA LYS A 63 6.776 4.017 -6.473 1.00 63.52 H new ATOM 0 HB2 LYS A 63 7.110 5.091 -3.995 1.00 52.32 H new ATOM 0 HB3 LYS A 63 5.808 5.527 -5.084 1.00 52.32 H new ATOM 0 HG2 LYS A 63 4.231 4.177 -3.941 1.00 10.23 H new ATOM 0 HG3 LYS A 63 5.474 3.246 -3.129 1.00 10.23 H new ATOM 0 HD2 LYS A 63 4.628 4.721 -1.469 1.00 52.41 H new ATOM 0 HD3 LYS A 63 6.166 5.412 -1.947 1.00 52.41 H new ATOM 0 HE2 LYS A 63 4.875 6.888 -3.589 1.00 75.53 H new ATOM 0 HE3 LYS A 63 3.400 6.304 -2.846 1.00 75.53 H new ATOM 0 HZ1 LYS A 63 4.101 8.394 -1.877 1.00 23.43 H new ATOM 0 HZ2 LYS A 63 4.168 7.163 -0.710 1.00 23.43 H new ATOM 0 HZ3 LYS A 63 5.598 7.729 -1.430 1.00 23.43 H new ATOM 983 N THR A 64 9.020 3.892 -4.962 1.00 15.12 N ATOM 984 CA THR A 64 10.356 3.476 -4.556 1.00 31.22 C ATOM 985 C THR A 64 10.750 4.111 -3.227 1.00 51.34 C ATOM 986 O THR A 64 10.642 5.325 -3.052 1.00 35.01 O ATOM 987 CB THR A 64 11.407 3.845 -5.620 1.00 73.40 C ATOM 988 OG1 THR A 64 11.785 2.678 -6.360 1.00 1.33 O ATOM 989 CG2 THR A 64 12.637 4.463 -4.974 1.00 23.21 C ATOM 0 H THR A 64 8.936 4.885 -5.179 1.00 15.12 H new ATOM 0 HA THR A 64 10.329 2.392 -4.443 1.00 31.22 H new ATOM 0 HB THR A 64 10.966 4.577 -6.297 1.00 73.40 H new ATOM 0 HG1 THR A 64 12.089 1.982 -5.741 1.00 1.33 H new ATOM 0 HG21 THR A 64 13.365 4.715 -5.745 1.00 23.21 H new ATOM 0 HG22 THR A 64 12.350 5.367 -4.436 1.00 23.21 H new ATOM 0 HG23 THR A 64 13.079 3.751 -4.277 1.00 23.21 H new ATOM 997 N VAL A 65 11.209 3.284 -2.294 1.00 35.33 N ATOM 998 CA VAL A 65 11.621 3.766 -0.981 1.00 32.52 C ATOM 999 C VAL A 65 12.817 4.704 -1.091 1.00 25.34 C ATOM 1000 O VAL A 65 12.883 5.725 -0.409 1.00 2.44 O ATOM 1001 CB VAL A 65 11.982 2.599 -0.043 1.00 34.54 C ATOM 1002 CG1 VAL A 65 11.293 2.763 1.304 1.00 43.22 C ATOM 1003 CG2 VAL A 65 11.611 1.268 -0.681 1.00 3.32 C ATOM 0 H VAL A 65 11.305 2.277 -2.423 1.00 35.33 H new ATOM 0 HA VAL A 65 10.774 4.310 -0.563 1.00 32.52 H new ATOM 0 HB VAL A 65 13.059 2.609 0.123 1.00 34.54 H new ATOM 0 HG11 VAL A 65 11.560 1.929 1.953 1.00 43.22 H new ATOM 0 HG12 VAL A 65 11.612 3.698 1.764 1.00 43.22 H new ATOM 0 HG13 VAL A 65 10.213 2.780 1.160 1.00 43.22 H new ATOM 0 HG21 VAL A 65 11.873 0.455 -0.004 1.00 3.32 H new ATOM 0 HG22 VAL A 65 10.539 1.245 -0.878 1.00 3.32 H new ATOM 0 HG23 VAL A 65 12.155 1.150 -1.618 1.00 3.32 H new ATOM 1013 N GLY A 66 13.763 4.349 -1.955 1.00 43.13 N ATOM 1014 CA GLY A 66 14.946 5.170 -2.139 1.00 53.24 C ATOM 1015 C GLY A 66 16.049 4.440 -2.879 1.00 2.12 C ATOM 1016 O GLY A 66 15.898 3.272 -3.239 1.00 2.42 O ATOM 0 H GLY A 66 13.731 3.508 -2.531 1.00 43.13 H new ATOM 0 HA2 GLY A 66 14.677 6.071 -2.691 1.00 53.24 H new ATOM 0 HA3 GLY A 66 15.317 5.491 -1.166 1.00 53.24 H new ATOM 1020 N PHE A 67 17.162 5.129 -3.108 1.00 3.13 N ATOM 1021 CA PHE A 67 18.295 4.540 -3.812 1.00 21.43 C ATOM 1022 C PHE A 67 19.581 4.704 -3.007 1.00 30.43 C ATOM 1023 O PHE A 67 19.761 5.694 -2.298 1.00 32.14 O ATOM 1024 CB PHE A 67 18.457 5.184 -5.190 1.00 64.21 C ATOM 1025 CG PHE A 67 18.485 6.685 -5.151 1.00 3.04 C ATOM 1026 CD1 PHE A 67 19.668 7.363 -4.905 1.00 65.13 C ATOM 1027 CD2 PHE A 67 17.328 7.418 -5.358 1.00 41.23 C ATOM 1028 CE1 PHE A 67 19.698 8.744 -4.869 1.00 13.44 C ATOM 1029 CE2 PHE A 67 17.351 8.800 -5.323 1.00 63.33 C ATOM 1030 CZ PHE A 67 18.537 9.464 -5.077 1.00 22.51 C ATOM 0 H PHE A 67 17.304 6.096 -2.816 1.00 3.13 H new ATOM 0 HA PHE A 67 18.099 3.475 -3.937 1.00 21.43 H new ATOM 0 HB2 PHE A 67 19.380 4.823 -5.645 1.00 64.21 H new ATOM 0 HB3 PHE A 67 17.638 4.860 -5.832 1.00 64.21 H new ATOM 0 HD1 PHE A 67 20.578 6.805 -4.739 1.00 65.13 H new ATOM 0 HD2 PHE A 67 16.397 6.904 -5.549 1.00 41.23 H new ATOM 0 HE1 PHE A 67 20.627 9.260 -4.679 1.00 13.44 H new ATOM 0 HE2 PHE A 67 16.442 9.360 -5.488 1.00 63.33 H new ATOM 0 HZ PHE A 67 18.557 10.543 -5.047 1.00 22.51 H new ATOM 1040 N VAL A 68 20.473 3.725 -3.121 1.00 72.43 N ATOM 1041 CA VAL A 68 21.742 3.759 -2.405 1.00 45.43 C ATOM 1042 C VAL A 68 22.919 3.786 -3.374 1.00 42.12 C ATOM 1043 O VAL A 68 22.986 2.987 -4.308 1.00 45.25 O ATOM 1044 CB VAL A 68 21.891 2.547 -1.467 1.00 63.24 C ATOM 1045 CG1 VAL A 68 23.329 2.414 -0.990 1.00 4.43 C ATOM 1046 CG2 VAL A 68 20.938 2.666 -0.288 1.00 71.20 C ATOM 0 H VAL A 68 20.340 2.898 -3.703 1.00 72.43 H new ATOM 0 HA VAL A 68 21.744 4.672 -1.809 1.00 45.43 H new ATOM 0 HB VAL A 68 21.634 1.645 -2.023 1.00 63.24 H new ATOM 0 HG11 VAL A 68 23.415 1.552 -0.328 1.00 4.43 H new ATOM 0 HG12 VAL A 68 23.986 2.279 -1.849 1.00 4.43 H new ATOM 0 HG13 VAL A 68 23.618 3.316 -0.450 1.00 4.43 H new ATOM 0 HG21 VAL A 68 21.057 1.801 0.365 1.00 71.20 H new ATOM 0 HG22 VAL A 68 21.162 3.575 0.270 1.00 71.20 H new ATOM 0 HG23 VAL A 68 19.912 2.707 -0.653 1.00 71.20 H new ATOM 1056 N VAL A 69 23.847 4.711 -3.145 1.00 75.41 N ATOM 1057 CA VAL A 69 25.023 4.841 -3.997 1.00 12.03 C ATOM 1058 C VAL A 69 26.289 4.436 -3.251 1.00 1.45 C ATOM 1059 O VAL A 69 26.651 5.045 -2.243 1.00 54.24 O ATOM 1060 CB VAL A 69 25.184 6.283 -4.515 1.00 33.34 C ATOM 1061 CG1 VAL A 69 26.357 6.376 -5.478 1.00 53.24 C ATOM 1062 CG2 VAL A 69 23.899 6.757 -5.178 1.00 22.45 C ATOM 0 H VAL A 69 23.807 5.381 -2.377 1.00 75.41 H new ATOM 0 HA VAL A 69 24.875 4.173 -4.845 1.00 12.03 H new ATOM 0 HB VAL A 69 25.390 6.935 -3.666 1.00 33.34 H new ATOM 0 HG11 VAL A 69 26.455 7.402 -5.834 1.00 53.24 H new ATOM 0 HG12 VAL A 69 27.273 6.080 -4.966 1.00 53.24 H new ATOM 0 HG13 VAL A 69 26.185 5.713 -6.326 1.00 53.24 H new ATOM 0 HG21 VAL A 69 24.030 7.777 -5.538 1.00 22.45 H new ATOM 0 HG22 VAL A 69 23.660 6.104 -6.017 1.00 22.45 H new ATOM 0 HG23 VAL A 69 23.085 6.730 -4.454 1.00 22.45 H new ATOM 1072 N VAL A 70 26.961 3.404 -3.752 1.00 13.53 N ATOM 1073 CA VAL A 70 28.189 2.919 -3.134 1.00 34.43 C ATOM 1074 C VAL A 70 29.345 2.930 -4.127 1.00 22.42 C ATOM 1075 O VAL A 70 29.279 2.295 -5.179 1.00 5.04 O ATOM 1076 CB VAL A 70 28.013 1.491 -2.583 1.00 11.02 C ATOM 1077 CG1 VAL A 70 29.276 1.035 -1.868 1.00 13.22 C ATOM 1078 CG2 VAL A 70 26.810 1.423 -1.654 1.00 3.22 C ATOM 0 H VAL A 70 26.675 2.888 -4.584 1.00 13.53 H new ATOM 0 HA VAL A 70 28.417 3.594 -2.309 1.00 34.43 H new ATOM 0 HB VAL A 70 27.835 0.816 -3.420 1.00 11.02 H new ATOM 0 HG11 VAL A 70 29.133 0.024 -1.486 1.00 13.22 H new ATOM 0 HG12 VAL A 70 30.113 1.044 -2.566 1.00 13.22 H new ATOM 0 HG13 VAL A 70 29.489 1.710 -1.039 1.00 13.22 H new ATOM 0 HG21 VAL A 70 26.701 0.407 -1.274 1.00 3.22 H new ATOM 0 HG22 VAL A 70 26.956 2.109 -0.819 1.00 3.22 H new ATOM 0 HG23 VAL A 70 25.911 1.704 -2.202 1.00 3.22 H new ATOM 1088 N ASN A 71 30.405 3.655 -3.785 1.00 11.24 N ATOM 1089 CA ASN A 71 31.578 3.749 -4.647 1.00 14.24 C ATOM 1090 C ASN A 71 32.814 3.194 -3.946 1.00 11.55 C ATOM 1091 O ASN A 71 33.305 3.776 -2.978 1.00 72.05 O ATOM 1092 CB ASN A 71 31.820 5.203 -5.057 1.00 15.10 C ATOM 1093 CG ASN A 71 30.586 5.846 -5.661 1.00 42.22 C ATOM 1094 OD1 ASN A 71 30.295 5.666 -6.844 1.00 12.13 O ATOM 1095 ND2 ASN A 71 29.855 6.601 -4.850 1.00 0.33 N ATOM 0 H ASN A 71 30.476 4.186 -2.917 1.00 11.24 H new ATOM 0 HA ASN A 71 31.390 3.153 -5.540 1.00 14.24 H new ATOM 0 HB2 ASN A 71 32.135 5.776 -4.185 1.00 15.10 H new ATOM 0 HB3 ASN A 71 32.637 5.243 -5.777 1.00 15.10 H new ATOM 0 HD21 ASN A 71 29.014 7.060 -5.200 1.00 0.33 H new ATOM 0 HD22 ASN A 71 30.134 6.722 -3.876 1.00 0.33 H new ATOM 1102 N ALA A 72 33.312 2.066 -4.441 1.00 1.31 N ATOM 1103 CA ALA A 72 34.492 1.434 -3.864 1.00 42.42 C ATOM 1104 C ALA A 72 35.740 2.277 -4.107 1.00 60.42 C ATOM 1105 O ALA A 72 36.633 2.339 -3.262 1.00 15.35 O ATOM 1106 CB ALA A 72 34.676 0.037 -4.438 1.00 2.21 C ATOM 0 H ALA A 72 32.917 1.571 -5.240 1.00 1.31 H new ATOM 0 HA ALA A 72 34.342 1.355 -2.787 1.00 42.42 H new ATOM 0 HB1 ALA A 72 35.561 -0.423 -3.998 1.00 2.21 H new ATOM 0 HB2 ALA A 72 33.800 -0.569 -4.208 1.00 2.21 H new ATOM 0 HB3 ALA A 72 34.800 0.101 -5.519 1.00 2.21 H new ATOM 1112 N ASP A 73 35.796 2.922 -5.267 1.00 71.31 N ATOM 1113 CA ASP A 73 36.935 3.761 -5.621 1.00 72.22 C ATOM 1114 C ASP A 73 37.106 4.897 -4.617 1.00 73.24 C ATOM 1115 O ASP A 73 38.226 5.256 -4.254 1.00 60.40 O ATOM 1116 CB ASP A 73 36.758 4.330 -7.030 1.00 15.55 C ATOM 1117 CG ASP A 73 35.341 4.804 -7.289 1.00 33.45 C ATOM 1118 OD1 ASP A 73 34.437 3.947 -7.382 1.00 55.04 O ATOM 1119 OD2 ASP A 73 35.136 6.031 -7.396 1.00 72.44 O ATOM 0 H ASP A 73 35.066 2.880 -5.978 1.00 71.31 H new ATOM 0 HA ASP A 73 37.832 3.142 -5.598 1.00 72.22 H new ATOM 0 HB2 ASP A 73 37.448 5.162 -7.172 1.00 15.55 H new ATOM 0 HB3 ASP A 73 37.023 3.568 -7.763 1.00 15.55 H new ATOM 1124 N LYS A 74 35.987 5.460 -4.173 1.00 44.22 N ATOM 1125 CA LYS A 74 36.012 6.556 -3.211 1.00 73.33 C ATOM 1126 C LYS A 74 35.879 6.031 -1.785 1.00 60.43 C ATOM 1127 O LYS A 74 36.060 6.773 -0.820 1.00 31.12 O ATOM 1128 CB LYS A 74 34.885 7.547 -3.508 1.00 15.31 C ATOM 1129 CG LYS A 74 35.104 8.357 -4.774 1.00 4.21 C ATOM 1130 CD LYS A 74 35.784 9.683 -4.476 1.00 54.55 C ATOM 1131 CE LYS A 74 35.410 10.743 -5.502 1.00 3.12 C ATOM 1132 NZ LYS A 74 36.163 10.573 -6.775 1.00 63.41 N ATOM 0 H LYS A 74 35.052 5.175 -4.464 1.00 44.22 H new ATOM 0 HA LYS A 74 36.971 7.066 -3.303 1.00 73.33 H new ATOM 0 HB2 LYS A 74 33.946 7.001 -3.594 1.00 15.31 H new ATOM 0 HB3 LYS A 74 34.781 8.229 -2.664 1.00 15.31 H new ATOM 0 HG2 LYS A 74 35.713 7.784 -5.473 1.00 4.21 H new ATOM 0 HG3 LYS A 74 34.146 8.539 -5.261 1.00 4.21 H new ATOM 0 HD2 LYS A 74 35.501 10.023 -3.480 1.00 54.55 H new ATOM 0 HD3 LYS A 74 36.865 9.546 -4.470 1.00 54.55 H new ATOM 0 HE2 LYS A 74 34.340 10.692 -5.703 1.00 3.12 H new ATOM 0 HE3 LYS A 74 35.610 11.733 -5.091 1.00 3.12 H new ATOM 0 HZ1 LYS A 74 35.880 11.314 -7.447 1.00 63.41 H new ATOM 0 HZ2 LYS A 74 37.183 10.647 -6.587 1.00 63.41 H new ATOM 0 HZ3 LYS A 74 35.953 9.639 -7.181 1.00 63.41 H new ATOM 1146 N LYS A 75 35.563 4.746 -1.660 1.00 4.03 N ATOM 1147 CA LYS A 75 35.409 4.120 -0.352 1.00 21.11 C ATOM 1148 C LYS A 75 34.322 4.816 0.460 1.00 52.51 C ATOM 1149 O LYS A 75 34.460 5.005 1.669 1.00 22.34 O ATOM 1150 CB LYS A 75 36.734 4.156 0.413 1.00 10.32 C ATOM 1151 CG LYS A 75 37.708 3.068 -0.004 1.00 75.32 C ATOM 1152 CD LYS A 75 39.119 3.370 0.470 1.00 41.21 C ATOM 1153 CE LYS A 75 39.325 2.944 1.915 1.00 31.14 C ATOM 1154 NZ LYS A 75 38.723 3.915 2.871 1.00 25.21 N ATOM 0 H LYS A 75 35.409 4.118 -2.449 1.00 4.03 H new ATOM 0 HA LYS A 75 35.114 3.082 -0.507 1.00 21.11 H new ATOM 0 HB2 LYS A 75 37.203 5.128 0.264 1.00 10.32 H new ATOM 0 HB3 LYS A 75 36.531 4.060 1.480 1.00 10.32 H new ATOM 0 HG2 LYS A 75 37.383 2.111 0.405 1.00 75.32 H new ATOM 0 HG3 LYS A 75 37.701 2.969 -1.089 1.00 75.32 H new ATOM 0 HD2 LYS A 75 39.836 2.854 -0.168 1.00 41.21 H new ATOM 0 HD3 LYS A 75 39.316 4.438 0.373 1.00 41.21 H new ATOM 0 HE2 LYS A 75 38.883 1.960 2.070 1.00 31.14 H new ATOM 0 HE3 LYS A 75 40.392 2.849 2.117 1.00 31.14 H new ATOM 0 HZ1 LYS A 75 39.332 4.000 3.710 1.00 25.21 H new ATOM 0 HZ2 LYS A 75 38.634 4.844 2.412 1.00 25.21 H new ATOM 0 HZ3 LYS A 75 37.782 3.580 3.159 1.00 25.21 H new ATOM 1168 N LEU A 76 33.240 5.196 -0.211 1.00 61.24 N ATOM 1169 CA LEU A 76 32.128 5.870 0.448 1.00 15.43 C ATOM 1170 C LEU A 76 30.791 5.359 -0.079 1.00 53.23 C ATOM 1171 O LEU A 76 30.699 4.890 -1.213 1.00 34.50 O ATOM 1172 CB LEU A 76 32.226 7.383 0.240 1.00 24.40 C ATOM 1173 CG LEU A 76 32.838 7.839 -1.085 1.00 72.01 C ATOM 1174 CD1 LEU A 76 31.907 7.514 -2.243 1.00 34.23 C ATOM 1175 CD2 LEU A 76 33.143 9.329 -1.046 1.00 42.33 C ATOM 0 H LEU A 76 33.110 5.048 -1.212 1.00 61.24 H new ATOM 0 HA LEU A 76 32.185 5.651 1.514 1.00 15.43 H new ATOM 0 HB2 LEU A 76 31.225 7.806 0.320 1.00 24.40 H new ATOM 0 HB3 LEU A 76 32.816 7.804 1.054 1.00 24.40 H new ATOM 0 HG LEU A 76 33.774 7.300 -1.236 1.00 72.01 H new ATOM 0 HD11 LEU A 76 32.359 7.846 -3.178 1.00 34.23 H new ATOM 0 HD12 LEU A 76 31.738 6.438 -2.283 1.00 34.23 H new ATOM 0 HD13 LEU A 76 30.955 8.025 -2.099 1.00 34.23 H new ATOM 0 HD21 LEU A 76 33.578 9.636 -1.997 1.00 42.33 H new ATOM 0 HD22 LEU A 76 32.222 9.885 -0.872 1.00 42.33 H new ATOM 0 HD23 LEU A 76 33.848 9.535 -0.241 1.00 42.33 H new ATOM 1187 N MET A 77 29.757 5.456 0.750 1.00 11.33 N ATOM 1188 CA MET A 77 28.424 5.007 0.365 1.00 21.35 C ATOM 1189 C MET A 77 27.352 5.925 0.945 1.00 64.25 C ATOM 1190 O MET A 77 27.327 6.184 2.148 1.00 64.53 O ATOM 1191 CB MET A 77 28.191 3.570 0.838 1.00 50.34 C ATOM 1192 CG MET A 77 28.158 3.426 2.350 1.00 24.54 C ATOM 1193 SD MET A 77 26.504 3.080 2.980 1.00 65.54 S ATOM 1194 CE MET A 77 26.198 1.469 2.259 1.00 61.33 C ATOM 0 H MET A 77 29.816 5.841 1.693 1.00 11.33 H new ATOM 0 HA MET A 77 28.356 5.040 -0.722 1.00 21.35 H new ATOM 0 HB2 MET A 77 27.249 3.209 0.426 1.00 50.34 H new ATOM 0 HB3 MET A 77 28.979 2.932 0.438 1.00 50.34 H new ATOM 0 HG2 MET A 77 28.832 2.623 2.649 1.00 24.54 H new ATOM 0 HG3 MET A 77 28.532 4.342 2.806 1.00 24.54 H new ATOM 0 HE1 MET A 77 25.159 1.406 1.937 1.00 61.33 H new ATOM 0 HE2 MET A 77 26.854 1.324 1.400 1.00 61.33 H new ATOM 0 HE3 MET A 77 26.395 0.695 3.001 1.00 61.33 H new ATOM 1204 N SER A 78 26.469 6.415 0.080 1.00 20.45 N ATOM 1205 CA SER A 78 25.398 7.307 0.506 1.00 15.41 C ATOM 1206 C SER A 78 24.032 6.669 0.269 1.00 42.23 C ATOM 1207 O SER A 78 23.789 6.067 -0.777 1.00 70.11 O ATOM 1208 CB SER A 78 25.488 8.639 -0.241 1.00 54.24 C ATOM 1209 OG SER A 78 26.751 9.251 -0.044 1.00 35.35 O ATOM 0 H SER A 78 26.475 6.209 -0.919 1.00 20.45 H new ATOM 0 HA SER A 78 25.514 7.489 1.574 1.00 15.41 H new ATOM 0 HB2 SER A 78 25.323 8.474 -1.306 1.00 54.24 H new ATOM 0 HB3 SER A 78 24.699 9.307 0.104 1.00 54.24 H new ATOM 0 HG SER A 78 26.783 10.100 -0.533 1.00 35.35 H new ATOM 1215 N VAL A 79 23.144 6.806 1.248 1.00 53.01 N ATOM 1216 CA VAL A 79 21.802 6.245 1.147 1.00 71.54 C ATOM 1217 C VAL A 79 20.743 7.341 1.180 1.00 44.13 C ATOM 1218 O VAL A 79 20.636 8.085 2.154 1.00 1.43 O ATOM 1219 CB VAL A 79 21.525 5.244 2.285 1.00 51.14 C ATOM 1220 CG1 VAL A 79 20.109 4.699 2.183 1.00 35.22 C ATOM 1221 CG2 VAL A 79 22.543 4.114 2.260 1.00 41.23 C ATOM 0 H VAL A 79 23.330 7.301 2.120 1.00 53.01 H new ATOM 0 HA VAL A 79 21.749 5.722 0.192 1.00 71.54 H new ATOM 0 HB VAL A 79 21.620 5.767 3.237 1.00 51.14 H new ATOM 0 HG11 VAL A 79 19.931 3.994 2.995 1.00 35.22 H new ATOM 0 HG12 VAL A 79 19.397 5.521 2.254 1.00 35.22 H new ATOM 0 HG13 VAL A 79 19.983 4.191 1.227 1.00 35.22 H new ATOM 0 HG21 VAL A 79 22.332 3.416 3.071 1.00 41.23 H new ATOM 0 HG22 VAL A 79 22.482 3.591 1.306 1.00 41.23 H new ATOM 0 HG23 VAL A 79 23.545 4.524 2.386 1.00 41.23 H new ATOM 1231 N SER A 80 19.962 7.435 0.108 1.00 25.32 N ATOM 1232 CA SER A 80 18.913 8.443 0.013 1.00 63.03 C ATOM 1233 C SER A 80 17.540 7.789 -0.103 1.00 30.41 C ATOM 1234 O SER A 80 17.264 7.062 -1.058 1.00 0.12 O ATOM 1235 CB SER A 80 19.160 9.354 -1.192 1.00 31.53 C ATOM 1236 OG SER A 80 20.546 9.484 -1.457 1.00 72.02 O ATOM 0 H SER A 80 20.036 6.825 -0.706 1.00 25.32 H new ATOM 0 HA SER A 80 18.935 9.042 0.923 1.00 63.03 H new ATOM 0 HB2 SER A 80 18.655 8.948 -2.069 1.00 31.53 H new ATOM 0 HB3 SER A 80 18.729 10.337 -1.003 1.00 31.53 H new ATOM 0 HG SER A 80 20.713 9.328 -2.410 1.00 72.02 H new ATOM 1242 N PHE A 81 16.682 8.052 0.877 1.00 31.31 N ATOM 1243 CA PHE A 81 15.337 7.488 0.887 1.00 11.44 C ATOM 1244 C PHE A 81 14.300 8.562 1.206 1.00 21.43 C ATOM 1245 O PHE A 81 14.548 9.460 2.010 1.00 21.05 O ATOM 1246 CB PHE A 81 15.244 6.354 1.910 1.00 60.33 C ATOM 1247 CG PHE A 81 15.772 5.043 1.400 1.00 2.24 C ATOM 1248 CD1 PHE A 81 17.102 4.912 1.035 1.00 3.03 C ATOM 1249 CD2 PHE A 81 14.938 3.943 1.286 1.00 23.51 C ATOM 1250 CE1 PHE A 81 17.592 3.707 0.566 1.00 13.35 C ATOM 1251 CE2 PHE A 81 15.422 2.735 0.818 1.00 1.35 C ATOM 1252 CZ PHE A 81 16.750 2.618 0.457 1.00 20.20 C ATOM 0 H PHE A 81 16.894 8.652 1.674 1.00 31.31 H new ATOM 0 HA PHE A 81 15.129 7.090 -0.106 1.00 11.44 H new ATOM 0 HB2 PHE A 81 15.798 6.636 2.805 1.00 60.33 H new ATOM 0 HB3 PHE A 81 14.203 6.227 2.206 1.00 60.33 H new ATOM 0 HD1 PHE A 81 17.764 5.761 1.118 1.00 3.03 H new ATOM 0 HD2 PHE A 81 13.898 4.030 1.566 1.00 23.51 H new ATOM 0 HE1 PHE A 81 18.631 3.618 0.286 1.00 13.35 H new ATOM 0 HE2 PHE A 81 14.762 1.884 0.735 1.00 1.35 H new ATOM 0 HZ PHE A 81 17.129 1.676 0.090 1.00 20.20 H new ATOM 1262 N SER A 82 13.138 8.461 0.569 1.00 32.04 N ATOM 1263 CA SER A 82 12.064 9.425 0.781 1.00 22.21 C ATOM 1264 C SER A 82 10.829 8.743 1.362 1.00 1.23 C ATOM 1265 O SER A 82 10.587 7.561 1.120 1.00 24.41 O ATOM 1266 CB SER A 82 11.706 10.118 -0.535 1.00 2.53 C ATOM 1267 OG SER A 82 11.032 9.232 -1.411 1.00 42.44 O ATOM 0 H SER A 82 12.916 7.722 -0.098 1.00 32.04 H new ATOM 0 HA SER A 82 12.414 10.172 1.494 1.00 22.21 H new ATOM 0 HB2 SER A 82 11.076 10.984 -0.334 1.00 2.53 H new ATOM 0 HB3 SER A 82 12.613 10.488 -1.013 1.00 2.53 H new ATOM 0 HG SER A 82 10.813 9.699 -2.244 1.00 42.44 H new ATOM 1273 N ASP A 83 10.051 9.498 2.130 1.00 2.12 N ATOM 1274 CA ASP A 83 8.840 8.969 2.746 1.00 31.30 C ATOM 1275 C ASP A 83 9.010 7.495 3.101 1.00 62.11 C ATOM 1276 O ASP A 83 8.564 6.614 2.366 1.00 74.14 O ATOM 1277 CB ASP A 83 7.646 9.145 1.807 1.00 54.30 C ATOM 1278 CG ASP A 83 6.318 9.006 2.526 1.00 2.41 C ATOM 1279 OD1 ASP A 83 5.861 10.002 3.125 1.00 44.20 O ATOM 1280 OD2 ASP A 83 5.737 7.902 2.491 1.00 74.44 O ATOM 0 H ASP A 83 10.238 10.478 2.341 1.00 2.12 H new ATOM 0 HA ASP A 83 8.656 9.527 3.664 1.00 31.30 H new ATOM 0 HB2 ASP A 83 7.700 10.126 1.336 1.00 54.30 H new ATOM 0 HB3 ASP A 83 7.703 8.405 1.009 1.00 54.30 H new ATOM 1285 N ILE A 84 9.659 7.235 4.231 1.00 62.23 N ATOM 1286 CA ILE A 84 9.888 5.868 4.682 1.00 22.04 C ATOM 1287 C ILE A 84 9.682 5.745 6.188 1.00 32.32 C ATOM 1288 O ILE A 84 9.986 6.667 6.944 1.00 2.44 O ATOM 1289 CB ILE A 84 11.309 5.389 4.329 1.00 33.13 C ATOM 1290 CG1 ILE A 84 12.348 6.156 5.150 1.00 72.21 C ATOM 1291 CG2 ILE A 84 11.571 5.560 2.840 1.00 35.24 C ATOM 1292 CD1 ILE A 84 13.147 5.277 6.086 1.00 31.32 C ATOM 0 H ILE A 84 10.035 7.953 4.851 1.00 62.23 H new ATOM 0 HA ILE A 84 9.163 5.239 4.165 1.00 22.04 H new ATOM 0 HB ILE A 84 11.391 4.330 4.573 1.00 33.13 H new ATOM 0 HG12 ILE A 84 13.032 6.666 4.471 1.00 72.21 H new ATOM 0 HG13 ILE A 84 11.843 6.927 5.731 1.00 72.21 H new ATOM 0 HG21 ILE A 84 12.579 5.217 2.606 1.00 35.24 H new ATOM 0 HG22 ILE A 84 10.848 4.973 2.274 1.00 35.24 H new ATOM 0 HG23 ILE A 84 11.474 6.612 2.572 1.00 35.24 H new ATOM 0 HD11 ILE A 84 13.864 5.887 6.635 1.00 31.32 H new ATOM 0 HD12 ILE A 84 12.473 4.787 6.789 1.00 31.32 H new ATOM 0 HD13 ILE A 84 13.681 4.522 5.509 1.00 31.32 H new ATOM 1304 N ASP A 85 9.165 4.599 6.617 1.00 73.31 N ATOM 1305 CA ASP A 85 8.920 4.353 8.033 1.00 22.44 C ATOM 1306 C ASP A 85 10.198 3.903 8.735 1.00 33.32 C ATOM 1307 O ASP A 85 11.150 3.466 8.090 1.00 20.31 O ATOM 1308 CB ASP A 85 7.828 3.296 8.208 1.00 2.13 C ATOM 1309 CG ASP A 85 8.189 1.977 7.555 1.00 62.34 C ATOM 1310 OD1 ASP A 85 9.265 1.431 7.876 1.00 60.41 O ATOM 1311 OD2 ASP A 85 7.396 1.491 6.721 1.00 62.31 O ATOM 0 H ASP A 85 8.907 3.825 6.004 1.00 73.31 H new ATOM 0 HA ASP A 85 8.587 5.287 8.486 1.00 22.44 H new ATOM 0 HB2 ASP A 85 7.650 3.135 9.271 1.00 2.13 H new ATOM 0 HB3 ASP A 85 6.896 3.666 7.781 1.00 2.13 H new ATOM 1316 N GLU A 86 10.210 4.014 10.060 1.00 40.31 N ATOM 1317 CA GLU A 86 11.372 3.620 10.848 1.00 12.52 C ATOM 1318 C GLU A 86 11.600 2.114 10.766 1.00 33.21 C ATOM 1319 O GLU A 86 12.706 1.629 11.000 1.00 12.23 O ATOM 1320 CB GLU A 86 11.192 4.041 12.308 1.00 14.32 C ATOM 1321 CG GLU A 86 10.024 3.357 12.999 1.00 24.24 C ATOM 1322 CD GLU A 86 9.858 3.800 14.440 1.00 51.11 C ATOM 1323 OE1 GLU A 86 10.625 4.680 14.883 1.00 41.01 O ATOM 1324 OE2 GLU A 86 8.959 3.267 15.124 1.00 24.40 O ATOM 0 H GLU A 86 9.429 4.373 10.609 1.00 40.31 H new ATOM 0 HA GLU A 86 12.246 4.125 10.437 1.00 12.52 H new ATOM 0 HB2 GLU A 86 12.108 3.820 12.857 1.00 14.32 H new ATOM 0 HB3 GLU A 86 11.047 5.120 12.351 1.00 14.32 H new ATOM 0 HG2 GLU A 86 9.107 3.569 12.450 1.00 24.24 H new ATOM 0 HG3 GLU A 86 10.171 2.277 12.969 1.00 24.24 H new ATOM 1331 N ASN A 87 10.544 1.379 10.432 1.00 33.13 N ATOM 1332 CA ASN A 87 10.627 -0.073 10.320 1.00 5.22 C ATOM 1333 C ASN A 87 11.706 -0.480 9.321 1.00 3.12 C ATOM 1334 O ASN A 87 12.578 -1.292 9.630 1.00 33.12 O ATOM 1335 CB ASN A 87 9.277 -0.651 9.893 1.00 12.12 C ATOM 1336 CG ASN A 87 8.742 -1.664 10.886 1.00 35.14 C ATOM 1337 OD1 ASN A 87 9.040 -1.598 12.079 1.00 34.11 O ATOM 1338 ND2 ASN A 87 7.947 -2.609 10.397 1.00 15.24 N ATOM 0 H ASN A 87 9.621 1.765 10.234 1.00 33.13 H new ATOM 0 HA ASN A 87 10.892 -0.473 11.298 1.00 5.22 H new ATOM 0 HB2 ASN A 87 8.557 0.160 9.781 1.00 12.12 H new ATOM 0 HB3 ASN A 87 9.380 -1.123 8.916 1.00 12.12 H new ATOM 0 HD21 ASN A 87 7.557 -3.318 11.017 1.00 15.24 H new ATOM 0 HD22 ASN A 87 7.727 -2.625 9.401 1.00 15.24 H new ATOM 1345 N MET A 88 11.641 0.091 8.123 1.00 60.22 N ATOM 1346 CA MET A 88 12.613 -0.211 7.079 1.00 64.41 C ATOM 1347 C MET A 88 13.904 0.572 7.295 1.00 23.11 C ATOM 1348 O MET A 88 14.996 0.085 6.999 1.00 75.32 O ATOM 1349 CB MET A 88 12.032 0.112 5.701 1.00 32.33 C ATOM 1350 CG MET A 88 11.618 1.566 5.542 1.00 31.32 C ATOM 1351 SD MET A 88 9.968 1.745 4.837 1.00 42.11 S ATOM 1352 CE MET A 88 10.030 0.534 3.519 1.00 60.12 C ATOM 0 H MET A 88 10.926 0.765 7.851 1.00 60.22 H new ATOM 0 HA MET A 88 12.842 -1.276 7.128 1.00 64.41 H new ATOM 0 HB2 MET A 88 12.771 -0.132 4.938 1.00 32.33 H new ATOM 0 HB3 MET A 88 11.166 -0.525 5.522 1.00 32.33 H new ATOM 0 HG2 MET A 88 11.649 2.057 6.515 1.00 31.32 H new ATOM 0 HG3 MET A 88 12.339 2.077 4.904 1.00 31.32 H new ATOM 0 HE1 MET A 88 9.426 0.879 2.679 1.00 60.12 H new ATOM 0 HE2 MET A 88 11.062 0.403 3.194 1.00 60.12 H new ATOM 0 HE3 MET A 88 9.639 -0.417 3.880 1.00 60.12 H new ATOM 1362 N LYS A 89 13.773 1.788 7.813 1.00 2.42 N ATOM 1363 CA LYS A 89 14.929 2.640 8.070 1.00 32.43 C ATOM 1364 C LYS A 89 15.983 1.895 8.882 1.00 24.35 C ATOM 1365 O LYS A 89 17.182 2.037 8.642 1.00 64.03 O ATOM 1366 CB LYS A 89 14.499 3.907 8.813 1.00 63.01 C ATOM 1367 CG LYS A 89 15.395 5.104 8.542 1.00 32.41 C ATOM 1368 CD LYS A 89 14.732 6.403 8.965 1.00 13.55 C ATOM 1369 CE LYS A 89 15.248 7.582 8.155 1.00 51.42 C ATOM 1370 NZ LYS A 89 14.659 8.871 8.613 1.00 11.10 N ATOM 0 H LYS A 89 12.877 2.207 8.064 1.00 2.42 H new ATOM 0 HA LYS A 89 15.365 2.919 7.111 1.00 32.43 H new ATOM 0 HB2 LYS A 89 13.477 4.157 8.528 1.00 63.01 H new ATOM 0 HB3 LYS A 89 14.491 3.705 9.884 1.00 63.01 H new ATOM 0 HG2 LYS A 89 16.337 4.984 9.078 1.00 32.41 H new ATOM 0 HG3 LYS A 89 15.636 5.146 7.480 1.00 32.41 H new ATOM 0 HD2 LYS A 89 13.652 6.319 8.840 1.00 13.55 H new ATOM 0 HD3 LYS A 89 14.918 6.579 10.025 1.00 13.55 H new ATOM 0 HE2 LYS A 89 16.334 7.630 8.236 1.00 51.42 H new ATOM 0 HE3 LYS A 89 15.013 7.429 7.102 1.00 51.42 H new ATOM 0 HZ1 LYS A 89 15.036 9.650 8.036 1.00 11.10 H new ATOM 0 HZ2 LYS A 89 13.624 8.835 8.513 1.00 11.10 H new ATOM 0 HZ3 LYS A 89 14.905 9.030 9.611 1.00 11.10 H new ATOM 1384 N LYS A 90 15.529 1.099 9.845 1.00 63.34 N ATOM 1385 CA LYS A 90 16.433 0.328 10.691 1.00 52.40 C ATOM 1386 C LYS A 90 17.319 -0.586 9.851 1.00 52.43 C ATOM 1387 O LYS A 90 18.503 -0.758 10.142 1.00 75.34 O ATOM 1388 CB LYS A 90 15.636 -0.502 11.699 1.00 31.44 C ATOM 1389 CG LYS A 90 15.003 -1.746 11.098 1.00 2.53 C ATOM 1390 CD LYS A 90 15.921 -2.951 11.215 1.00 3.41 C ATOM 1391 CE LYS A 90 15.135 -4.228 11.469 1.00 41.25 C ATOM 1392 NZ LYS A 90 14.776 -4.382 12.906 1.00 64.45 N ATOM 0 H LYS A 90 14.540 0.971 10.059 1.00 63.34 H new ATOM 0 HA LYS A 90 17.072 1.028 11.230 1.00 52.40 H new ATOM 0 HB2 LYS A 90 16.295 -0.798 12.515 1.00 31.44 H new ATOM 0 HB3 LYS A 90 14.853 0.121 12.132 1.00 31.44 H new ATOM 0 HG2 LYS A 90 14.060 -1.956 11.603 1.00 2.53 H new ATOM 0 HG3 LYS A 90 14.770 -1.566 10.049 1.00 2.53 H new ATOM 0 HD2 LYS A 90 16.503 -3.057 10.299 1.00 3.41 H new ATOM 0 HD3 LYS A 90 16.631 -2.792 12.027 1.00 3.41 H new ATOM 0 HE2 LYS A 90 14.227 -4.221 10.867 1.00 41.25 H new ATOM 0 HE3 LYS A 90 15.724 -5.087 11.148 1.00 41.25 H new ATOM 0 HZ1 LYS A 90 14.241 -5.264 13.038 1.00 64.45 H new ATOM 0 HZ2 LYS A 90 15.643 -4.414 13.479 1.00 64.45 H new ATOM 0 HZ3 LYS A 90 14.192 -3.575 13.206 1.00 64.45 H new ATOM 1406 N VAL A 91 16.739 -1.168 8.806 1.00 35.12 N ATOM 1407 CA VAL A 91 17.476 -2.062 7.922 1.00 63.30 C ATOM 1408 C VAL A 91 18.454 -1.286 7.047 1.00 72.24 C ATOM 1409 O VAL A 91 19.559 -1.753 6.769 1.00 2.41 O ATOM 1410 CB VAL A 91 16.525 -2.870 7.019 1.00 51.40 C ATOM 1411 CG1 VAL A 91 15.158 -3.008 7.672 1.00 61.11 C ATOM 1412 CG2 VAL A 91 16.407 -2.216 5.650 1.00 4.24 C ATOM 0 H VAL A 91 15.760 -1.036 8.551 1.00 35.12 H new ATOM 0 HA VAL A 91 18.031 -2.751 8.560 1.00 63.30 H new ATOM 0 HB VAL A 91 16.940 -3.869 6.885 1.00 51.40 H new ATOM 0 HG11 VAL A 91 14.499 -3.582 7.020 1.00 61.11 H new ATOM 0 HG12 VAL A 91 15.261 -3.523 8.627 1.00 61.11 H new ATOM 0 HG13 VAL A 91 14.732 -2.018 7.838 1.00 61.11 H new ATOM 0 HG21 VAL A 91 15.731 -2.800 5.025 1.00 4.24 H new ATOM 0 HG22 VAL A 91 16.015 -1.205 5.762 1.00 4.24 H new ATOM 0 HG23 VAL A 91 17.390 -2.174 5.181 1.00 4.24 H new ATOM 1422 N ILE A 92 18.039 -0.100 6.615 1.00 45.11 N ATOM 1423 CA ILE A 92 18.880 0.742 5.772 1.00 35.11 C ATOM 1424 C ILE A 92 20.086 1.264 6.545 1.00 31.11 C ATOM 1425 O ILE A 92 21.217 1.215 6.061 1.00 73.44 O ATOM 1426 CB ILE A 92 18.090 1.937 5.206 1.00 44.12 C ATOM 1427 CG1 ILE A 92 16.708 1.485 4.730 1.00 23.44 C ATOM 1428 CG2 ILE A 92 18.861 2.589 4.067 1.00 30.23 C ATOM 1429 CD1 ILE A 92 15.949 2.553 3.975 1.00 1.25 C ATOM 0 H ILE A 92 17.127 0.300 6.834 1.00 45.11 H new ATOM 0 HA ILE A 92 19.224 0.119 4.946 1.00 35.11 H new ATOM 0 HB ILE A 92 17.957 2.673 5.999 1.00 44.12 H new ATOM 0 HG12 ILE A 92 16.822 0.610 4.090 1.00 23.44 H new ATOM 0 HG13 ILE A 92 16.119 1.174 5.593 1.00 23.44 H new ATOM 0 HG21 ILE A 92 18.290 3.432 3.677 1.00 30.23 H new ATOM 0 HG22 ILE A 92 19.824 2.942 4.435 1.00 30.23 H new ATOM 0 HG23 ILE A 92 19.021 1.861 3.272 1.00 30.23 H new ATOM 0 HD11 ILE A 92 14.979 2.162 3.668 1.00 1.25 H new ATOM 0 HD12 ILE A 92 15.804 3.420 4.619 1.00 1.25 H new ATOM 0 HD13 ILE A 92 16.517 2.848 3.092 1.00 1.25 H new ATOM 1441 N LYS A 93 19.838 1.763 7.751 1.00 31.23 N ATOM 1442 CA LYS A 93 20.903 2.292 8.595 1.00 62.41 C ATOM 1443 C LYS A 93 21.885 1.192 8.985 1.00 64.44 C ATOM 1444 O LYS A 93 23.099 1.393 8.958 1.00 22.42 O ATOM 1445 CB LYS A 93 20.314 2.933 9.853 1.00 3.51 C ATOM 1446 CG LYS A 93 21.308 3.786 10.623 1.00 10.01 C ATOM 1447 CD LYS A 93 20.895 3.948 12.076 1.00 2.14 C ATOM 1448 CE LYS A 93 21.475 2.844 12.947 1.00 70.20 C ATOM 1449 NZ LYS A 93 21.018 2.954 14.360 1.00 71.20 N ATOM 0 H LYS A 93 18.908 1.812 8.166 1.00 31.23 H new ATOM 0 HA LYS A 93 21.441 3.050 8.026 1.00 62.41 H new ATOM 0 HB2 LYS A 93 19.461 3.550 9.571 1.00 3.51 H new ATOM 0 HB3 LYS A 93 19.937 2.148 10.508 1.00 3.51 H new ATOM 0 HG2 LYS A 93 22.296 3.329 10.573 1.00 10.01 H new ATOM 0 HG3 LYS A 93 21.387 4.767 10.155 1.00 10.01 H new ATOM 0 HD2 LYS A 93 21.230 4.918 12.445 1.00 2.14 H new ATOM 0 HD3 LYS A 93 19.808 3.937 12.150 1.00 2.14 H new ATOM 0 HE2 LYS A 93 21.183 1.874 12.545 1.00 70.20 H new ATOM 0 HE3 LYS A 93 22.564 2.889 12.913 1.00 70.20 H new ATOM 0 HZ1 LYS A 93 21.435 2.184 14.921 1.00 71.20 H new ATOM 0 HZ2 LYS A 93 21.318 3.869 14.752 1.00 71.20 H new ATOM 0 HZ3 LYS A 93 19.981 2.886 14.396 1.00 71.20 H new ATOM 1463 N ALA A 94 21.352 0.029 9.345 1.00 61.24 N ATOM 1464 CA ALA A 94 22.182 -1.104 9.736 1.00 2.31 C ATOM 1465 C ALA A 94 23.087 -1.543 8.590 1.00 72.41 C ATOM 1466 O ALA A 94 24.259 -1.860 8.796 1.00 41.40 O ATOM 1467 CB ALA A 94 21.311 -2.262 10.197 1.00 35.34 C ATOM 0 H ALA A 94 20.349 -0.153 9.374 1.00 61.24 H new ATOM 0 HA ALA A 94 22.816 -0.789 10.565 1.00 2.31 H new ATOM 0 HB1 ALA A 94 21.944 -3.101 10.486 1.00 35.34 H new ATOM 0 HB2 ALA A 94 20.712 -1.949 11.052 1.00 35.34 H new ATOM 0 HB3 ALA A 94 20.652 -2.568 9.384 1.00 35.34 H new ATOM 1473 N THR A 95 22.535 -1.562 7.380 1.00 22.34 N ATOM 1474 CA THR A 95 23.292 -1.965 6.202 1.00 73.24 C ATOM 1475 C THR A 95 24.396 -0.963 5.888 1.00 4.41 C ATOM 1476 O THR A 95 25.496 -1.342 5.485 1.00 15.21 O ATOM 1477 CB THR A 95 22.378 -2.107 4.970 1.00 63.45 C ATOM 1478 OG1 THR A 95 21.425 -3.154 5.185 1.00 52.23 O ATOM 1479 CG2 THR A 95 23.195 -2.408 3.722 1.00 43.40 C ATOM 0 H THR A 95 21.567 -1.303 7.191 1.00 22.34 H new ATOM 0 HA THR A 95 23.738 -2.933 6.429 1.00 73.24 H new ATOM 0 HB THR A 95 21.854 -1.163 4.824 1.00 63.45 H new ATOM 0 HG1 THR A 95 20.689 -2.818 5.739 1.00 52.23 H new ATOM 0 HG21 THR A 95 22.528 -2.504 2.865 1.00 43.40 H new ATOM 0 HG22 THR A 95 23.900 -1.596 3.544 1.00 43.40 H new ATOM 0 HG23 THR A 95 23.743 -3.340 3.862 1.00 43.40 H new ATOM 1487 N ALA A 96 24.097 0.319 6.076 1.00 23.54 N ATOM 1488 CA ALA A 96 25.067 1.376 5.816 1.00 34.51 C ATOM 1489 C ALA A 96 26.252 1.281 6.771 1.00 14.01 C ATOM 1490 O ALA A 96 27.406 1.325 6.348 1.00 41.33 O ATOM 1491 CB ALA A 96 24.403 2.740 5.929 1.00 73.10 C ATOM 0 H ALA A 96 23.191 0.650 6.407 1.00 23.54 H new ATOM 0 HA ALA A 96 25.442 1.250 4.800 1.00 34.51 H new ATOM 0 HB1 ALA A 96 25.138 3.520 5.733 1.00 73.10 H new ATOM 0 HB2 ALA A 96 23.594 2.812 5.202 1.00 73.10 H new ATOM 0 HB3 ALA A 96 24.000 2.866 6.934 1.00 73.10 H new ATOM 1497 N GLU A 97 25.957 1.151 8.061 1.00 4.51 N ATOM 1498 CA GLU A 97 27.000 1.053 9.076 1.00 62.55 C ATOM 1499 C GLU A 97 27.817 -0.224 8.894 1.00 51.45 C ATOM 1500 O GLU A 97 29.011 -0.258 9.190 1.00 45.21 O ATOM 1501 CB GLU A 97 26.385 1.082 10.476 1.00 34.31 C ATOM 1502 CG GLU A 97 25.380 -0.031 10.723 1.00 62.42 C ATOM 1503 CD GLU A 97 25.315 -0.446 12.180 1.00 54.30 C ATOM 1504 OE1 GLU A 97 26.380 -0.508 12.828 1.00 20.21 O ATOM 1505 OE2 GLU A 97 24.197 -0.707 12.672 1.00 32.00 O ATOM 0 H GLU A 97 25.006 1.111 8.427 1.00 4.51 H new ATOM 0 HA GLU A 97 27.664 1.909 8.961 1.00 62.55 H new ATOM 0 HB2 GLU A 97 27.183 1.010 11.215 1.00 34.31 H new ATOM 0 HB3 GLU A 97 25.894 2.043 10.628 1.00 34.31 H new ATOM 0 HG2 GLU A 97 24.393 0.298 10.398 1.00 62.42 H new ATOM 0 HG3 GLU A 97 25.644 -0.896 10.114 1.00 62.42 H new ATOM 1512 N LYS A 98 27.164 -1.272 8.404 1.00 32.24 N ATOM 1513 CA LYS A 98 27.827 -2.551 8.181 1.00 21.44 C ATOM 1514 C LYS A 98 29.002 -2.395 7.222 1.00 42.14 C ATOM 1515 O LYS A 98 30.048 -3.021 7.397 1.00 11.44 O ATOM 1516 CB LYS A 98 26.834 -3.574 7.626 1.00 73.33 C ATOM 1517 CG LYS A 98 26.997 -4.964 8.217 1.00 15.23 C ATOM 1518 CD LYS A 98 25.652 -5.638 8.436 1.00 4.30 C ATOM 1519 CE LYS A 98 25.813 -7.004 9.085 1.00 11.22 C ATOM 1520 NZ LYS A 98 24.499 -7.601 9.452 1.00 22.41 N ATOM 0 H LYS A 98 26.175 -1.261 8.154 1.00 32.24 H new ATOM 0 HA LYS A 98 28.207 -2.906 9.139 1.00 21.44 H new ATOM 0 HB2 LYS A 98 25.820 -3.224 7.817 1.00 73.33 H new ATOM 0 HB3 LYS A 98 26.952 -3.632 6.544 1.00 73.33 H new ATOM 0 HG2 LYS A 98 27.607 -5.574 7.551 1.00 15.23 H new ATOM 0 HG3 LYS A 98 27.530 -4.897 9.165 1.00 15.23 H new ATOM 0 HD2 LYS A 98 25.025 -5.006 9.066 1.00 4.30 H new ATOM 0 HD3 LYS A 98 25.138 -5.746 7.481 1.00 4.30 H new ATOM 0 HE2 LYS A 98 26.337 -7.672 8.401 1.00 11.22 H new ATOM 0 HE3 LYS A 98 26.432 -6.912 9.977 1.00 11.22 H new ATOM 0 HZ1 LYS A 98 24.651 -8.531 9.891 1.00 22.41 H new ATOM 0 HZ2 LYS A 98 24.010 -6.976 10.124 1.00 22.41 H new ATOM 0 HZ3 LYS A 98 23.918 -7.713 8.597 1.00 22.41 H new ATOM 1534 N PHE A 99 28.824 -1.555 6.207 1.00 30.12 N ATOM 1535 CA PHE A 99 29.870 -1.316 5.220 1.00 61.03 C ATOM 1536 C PHE A 99 31.095 -0.678 5.869 1.00 52.34 C ATOM 1537 O PHE A 99 32.229 -0.929 5.462 1.00 25.32 O ATOM 1538 CB PHE A 99 29.346 -0.417 4.098 1.00 2.21 C ATOM 1539 CG PHE A 99 28.826 -1.178 2.913 1.00 64.55 C ATOM 1540 CD1 PHE A 99 27.606 -1.832 2.973 1.00 11.31 C ATOM 1541 CD2 PHE A 99 29.558 -1.241 1.737 1.00 12.24 C ATOM 1542 CE1 PHE A 99 27.126 -2.534 1.884 1.00 52.12 C ATOM 1543 CE2 PHE A 99 29.082 -1.941 0.645 1.00 64.23 C ATOM 1544 CZ PHE A 99 27.864 -2.588 0.718 1.00 43.32 C ATOM 0 H PHE A 99 27.965 -1.029 6.047 1.00 30.12 H new ATOM 0 HA PHE A 99 30.164 -2.277 4.798 1.00 61.03 H new ATOM 0 HB2 PHE A 99 28.550 0.215 4.492 1.00 2.21 H new ATOM 0 HB3 PHE A 99 30.147 0.246 3.771 1.00 2.21 H new ATOM 0 HD1 PHE A 99 27.023 -1.793 3.882 1.00 11.31 H new ATOM 0 HD2 PHE A 99 30.511 -0.737 1.674 1.00 12.24 H new ATOM 0 HE1 PHE A 99 26.174 -3.040 1.945 1.00 52.12 H new ATOM 0 HE2 PHE A 99 29.662 -1.982 -0.265 1.00 64.23 H new ATOM 0 HZ PHE A 99 27.490 -3.135 -0.135 1.00 43.32 H new ATOM 1554 N LYS A 100 30.857 0.151 6.880 1.00 71.32 N ATOM 1555 CA LYS A 100 31.939 0.826 7.587 1.00 35.11 C ATOM 1556 C LYS A 100 32.848 -0.183 8.281 1.00 12.04 C ATOM 1557 O LYS A 100 34.042 0.057 8.450 1.00 45.44 O ATOM 1558 CB LYS A 100 31.369 1.807 8.614 1.00 4.04 C ATOM 1559 CG LYS A 100 32.434 2.507 9.442 1.00 53.15 C ATOM 1560 CD LYS A 100 31.864 3.703 10.185 1.00 5.54 C ATOM 1561 CE LYS A 100 31.592 4.867 9.244 1.00 34.23 C ATOM 1562 NZ LYS A 100 31.525 6.165 9.971 1.00 31.44 N ATOM 0 H LYS A 100 29.924 0.372 7.228 1.00 71.32 H new ATOM 0 HA LYS A 100 32.530 1.377 6.856 1.00 35.11 H new ATOM 0 HB2 LYS A 100 30.772 2.557 8.095 1.00 4.04 H new ATOM 0 HB3 LYS A 100 30.696 1.270 9.282 1.00 4.04 H new ATOM 0 HG2 LYS A 100 32.862 1.804 10.156 1.00 53.15 H new ATOM 0 HG3 LYS A 100 33.245 2.834 8.792 1.00 53.15 H new ATOM 0 HD2 LYS A 100 30.940 3.415 10.685 1.00 5.54 H new ATOM 0 HD3 LYS A 100 32.562 4.017 10.961 1.00 5.54 H new ATOM 0 HE2 LYS A 100 32.376 4.914 8.489 1.00 34.23 H new ATOM 0 HE3 LYS A 100 30.653 4.697 8.718 1.00 34.23 H new ATOM 0 HZ1 LYS A 100 31.338 6.933 9.295 1.00 31.44 H new ATOM 0 HZ2 LYS A 100 30.760 6.130 10.675 1.00 31.44 H new ATOM 0 HZ3 LYS A 100 32.430 6.340 10.452 1.00 31.44 H new ATOM 1576 N ASN A 101 32.274 -1.313 8.681 1.00 32.11 N ATOM 1577 CA ASN A 101 33.034 -2.359 9.356 1.00 15.03 C ATOM 1578 C ASN A 101 34.119 -2.919 8.442 1.00 30.32 C ATOM 1579 O ASN A 101 35.052 -3.580 8.900 1.00 50.43 O ATOM 1580 CB ASN A 101 32.101 -3.484 9.809 1.00 70.53 C ATOM 1581 CG ASN A 101 31.179 -3.055 10.934 1.00 44.43 C ATOM 1582 OD1 ASN A 101 31.438 -3.334 12.104 1.00 22.53 O ATOM 1583 ND2 ASN A 101 30.096 -2.371 10.583 1.00 45.23 N ATOM 0 H ASN A 101 31.286 -1.528 8.550 1.00 32.11 H new ATOM 0 HA ASN A 101 33.513 -1.919 10.231 1.00 15.03 H new ATOM 0 HB2 ASN A 101 31.503 -3.820 8.962 1.00 70.53 H new ATOM 0 HB3 ASN A 101 32.697 -4.336 10.136 1.00 70.53 H new ATOM 0 HD21 ASN A 101 29.439 -2.055 11.296 1.00 45.23 H new ATOM 0 HD22 ASN A 101 29.921 -2.162 9.600 1.00 45.23 H new ATOM 1590 N LYS A 102 33.991 -2.651 7.147 1.00 12.23 N ATOM 1591 CA LYS A 102 34.961 -3.125 6.167 1.00 34.44 C ATOM 1592 C LYS A 102 35.946 -2.021 5.799 1.00 64.45 C ATOM 1593 O LYS A 102 36.799 -2.202 4.931 1.00 63.04 O ATOM 1594 CB LYS A 102 34.244 -3.625 4.911 1.00 40.33 C ATOM 1595 CG LYS A 102 35.091 -4.551 4.055 1.00 51.41 C ATOM 1596 CD LYS A 102 34.998 -5.991 4.531 1.00 12.41 C ATOM 1597 CE LYS A 102 36.141 -6.342 5.470 1.00 24.03 C ATOM 1598 NZ LYS A 102 36.449 -7.799 5.448 1.00 4.23 N ATOM 0 H LYS A 102 33.224 -2.107 6.751 1.00 12.23 H new ATOM 0 HA LYS A 102 35.518 -3.950 6.612 1.00 34.44 H new ATOM 0 HB2 LYS A 102 33.334 -4.148 5.206 1.00 40.33 H new ATOM 0 HB3 LYS A 102 33.939 -2.767 4.311 1.00 40.33 H new ATOM 0 HG2 LYS A 102 34.765 -4.488 3.017 1.00 51.41 H new ATOM 0 HG3 LYS A 102 36.130 -4.224 4.083 1.00 51.41 H new ATOM 0 HD2 LYS A 102 34.047 -6.146 5.040 1.00 12.41 H new ATOM 0 HD3 LYS A 102 35.013 -6.661 3.671 1.00 12.41 H new ATOM 0 HE2 LYS A 102 37.030 -5.779 5.187 1.00 24.03 H new ATOM 0 HE3 LYS A 102 35.883 -6.041 6.485 1.00 24.03 H new ATOM 0 HZ1 LYS A 102 37.438 -7.949 5.732 1.00 4.23 H new ATOM 0 HZ2 LYS A 102 35.819 -8.297 6.109 1.00 4.23 H new ATOM 0 HZ3 LYS A 102 36.305 -8.170 4.487 1.00 4.23 H new ATOM 1612 N GLY A 103 35.824 -0.878 6.465 1.00 11.44 N ATOM 1613 CA GLY A 103 36.712 0.238 6.194 1.00 34.01 C ATOM 1614 C GLY A 103 36.200 1.129 5.079 1.00 34.45 C ATOM 1615 O GLY A 103 36.879 1.328 4.073 1.00 44.34 O ATOM 0 H GLY A 103 35.126 -0.704 7.188 1.00 11.44 H new ATOM 0 HA2 GLY A 103 36.834 0.830 7.101 1.00 34.01 H new ATOM 0 HA3 GLY A 103 37.698 -0.143 5.927 1.00 34.01 H new ATOM 1619 N PHE A 104 34.997 1.664 5.258 1.00 54.43 N ATOM 1620 CA PHE A 104 34.392 2.537 4.257 1.00 24.44 C ATOM 1621 C PHE A 104 33.628 3.678 4.922 1.00 41.24 C ATOM 1622 O PHE A 104 33.386 3.660 6.129 1.00 64.33 O ATOM 1623 CB PHE A 104 33.452 1.737 3.353 1.00 23.43 C ATOM 1624 CG PHE A 104 34.160 0.723 2.500 1.00 12.00 C ATOM 1625 CD1 PHE A 104 34.563 -0.490 3.034 1.00 65.45 C ATOM 1626 CD2 PHE A 104 34.421 0.983 1.164 1.00 12.35 C ATOM 1627 CE1 PHE A 104 35.215 -1.424 2.251 1.00 64.33 C ATOM 1628 CE2 PHE A 104 35.072 0.053 0.376 1.00 30.05 C ATOM 1629 CZ PHE A 104 35.469 -1.153 0.920 1.00 11.13 C ATOM 0 H PHE A 104 34.422 1.509 6.086 1.00 54.43 H new ATOM 0 HA PHE A 104 35.192 2.963 3.651 1.00 24.44 H new ATOM 0 HB2 PHE A 104 32.713 1.228 3.971 1.00 23.43 H new ATOM 0 HB3 PHE A 104 32.907 2.426 2.708 1.00 23.43 H new ATOM 0 HD1 PHE A 104 34.366 -0.708 4.073 1.00 65.45 H new ATOM 0 HD2 PHE A 104 34.112 1.924 0.733 1.00 12.35 H new ATOM 0 HE1 PHE A 104 35.526 -2.365 2.679 1.00 64.33 H new ATOM 0 HE2 PHE A 104 35.270 0.269 -0.664 1.00 30.05 H new ATOM 0 HZ PHE A 104 35.977 -1.882 0.306 1.00 11.13 H new ATOM 1639 N LYS A 105 33.251 4.672 4.124 1.00 34.14 N ATOM 1640 CA LYS A 105 32.513 5.823 4.632 1.00 22.32 C ATOM 1641 C LYS A 105 31.011 5.630 4.451 1.00 60.42 C ATOM 1642 O LYS A 105 30.559 5.137 3.417 1.00 33.34 O ATOM 1643 CB LYS A 105 32.964 7.099 3.918 1.00 70.11 C ATOM 1644 CG LYS A 105 32.234 8.347 4.384 1.00 61.23 C ATOM 1645 CD LYS A 105 32.658 8.750 5.786 1.00 44.42 C ATOM 1646 CE LYS A 105 33.831 9.719 5.756 1.00 12.12 C ATOM 1647 NZ LYS A 105 35.135 9.008 5.650 1.00 50.20 N ATOM 0 H LYS A 105 33.444 4.704 3.123 1.00 34.14 H new ATOM 0 HA LYS A 105 32.723 5.916 5.697 1.00 22.32 H new ATOM 0 HB2 LYS A 105 34.034 7.234 4.075 1.00 70.11 H new ATOM 0 HB3 LYS A 105 32.812 6.978 2.845 1.00 70.11 H new ATOM 0 HG2 LYS A 105 32.434 9.166 3.693 1.00 61.23 H new ATOM 0 HG3 LYS A 105 31.159 8.169 4.365 1.00 61.23 H new ATOM 0 HD2 LYS A 105 31.817 9.211 6.303 1.00 44.42 H new ATOM 0 HD3 LYS A 105 32.933 7.861 6.354 1.00 44.42 H new ATOM 0 HE2 LYS A 105 33.719 10.399 4.912 1.00 12.12 H new ATOM 0 HE3 LYS A 105 33.822 10.328 6.660 1.00 12.12 H new ATOM 0 HZ1 LYS A 105 35.881 9.583 6.091 1.00 50.20 H new ATOM 0 HZ2 LYS A 105 35.071 8.091 6.137 1.00 50.20 H new ATOM 0 HZ3 LYS A 105 35.365 8.852 4.648 1.00 50.20 H new ATOM 1661 N VAL A 106 30.242 6.023 5.461 1.00 20.44 N ATOM 1662 CA VAL A 106 28.790 5.895 5.412 1.00 44.00 C ATOM 1663 C VAL A 106 28.117 7.262 5.458 1.00 32.13 C ATOM 1664 O VAL A 106 28.435 8.093 6.308 1.00 20.44 O ATOM 1665 CB VAL A 106 28.263 5.035 6.576 1.00 53.12 C ATOM 1666 CG1 VAL A 106 26.764 4.814 6.439 1.00 30.25 C ATOM 1667 CG2 VAL A 106 29.003 3.707 6.635 1.00 52.41 C ATOM 0 H VAL A 106 30.600 6.433 6.324 1.00 20.44 H new ATOM 0 HA VAL A 106 28.546 5.405 4.469 1.00 44.00 H new ATOM 0 HB VAL A 106 28.444 5.567 7.510 1.00 53.12 H new ATOM 0 HG11 VAL A 106 26.409 4.204 7.270 1.00 30.25 H new ATOM 0 HG12 VAL A 106 26.252 5.776 6.450 1.00 30.25 H new ATOM 0 HG13 VAL A 106 26.556 4.303 5.499 1.00 30.25 H new ATOM 0 HG21 VAL A 106 28.618 3.112 7.463 1.00 52.41 H new ATOM 0 HG22 VAL A 106 28.855 3.166 5.700 1.00 52.41 H new ATOM 0 HG23 VAL A 106 30.067 3.890 6.784 1.00 52.41 H new ATOM 1677 N GLU A 107 27.184 7.487 4.538 1.00 10.43 N ATOM 1678 CA GLU A 107 26.465 8.755 4.475 1.00 64.43 C ATOM 1679 C GLU A 107 24.958 8.523 4.428 1.00 12.40 C ATOM 1680 O GLU A 107 24.474 7.644 3.715 1.00 61.41 O ATOM 1681 CB GLU A 107 26.908 9.556 3.249 1.00 53.14 C ATOM 1682 CG GLU A 107 28.394 9.446 2.953 1.00 60.41 C ATOM 1683 CD GLU A 107 28.984 10.743 2.434 1.00 75.44 C ATOM 1684 OE1 GLU A 107 28.893 11.764 3.147 1.00 72.34 O ATOM 1685 OE2 GLU A 107 29.536 10.736 1.314 1.00 60.14 O ATOM 0 H GLU A 107 26.908 6.809 3.827 1.00 10.43 H new ATOM 0 HA GLU A 107 26.700 9.323 5.375 1.00 64.43 H new ATOM 0 HB2 GLU A 107 26.347 9.213 2.380 1.00 53.14 H new ATOM 0 HB3 GLU A 107 26.653 10.605 3.400 1.00 53.14 H new ATOM 0 HG2 GLU A 107 28.920 9.149 3.860 1.00 60.41 H new ATOM 0 HG3 GLU A 107 28.557 8.658 2.218 1.00 60.41 H new ATOM 1692 N THR A 108 24.219 9.320 5.194 1.00 32.13 N ATOM 1693 CA THR A 108 22.767 9.202 5.243 1.00 50.12 C ATOM 1694 C THR A 108 22.095 10.495 4.796 1.00 42.34 C ATOM 1695 O THR A 108 22.459 11.582 5.245 1.00 52.42 O ATOM 1696 CB THR A 108 22.279 8.847 6.660 1.00 21.00 C ATOM 1697 OG1 THR A 108 22.452 9.969 7.533 1.00 22.31 O ATOM 1698 CG2 THR A 108 23.038 7.649 7.209 1.00 23.52 C ATOM 0 H THR A 108 24.603 10.054 5.789 1.00 32.13 H new ATOM 0 HA THR A 108 22.493 8.398 4.560 1.00 50.12 H new ATOM 0 HB THR A 108 21.221 8.592 6.603 1.00 21.00 H new ATOM 0 HG1 THR A 108 22.485 10.793 7.004 1.00 22.31 H new ATOM 0 HG21 THR A 108 22.676 7.417 8.211 1.00 23.52 H new ATOM 0 HG22 THR A 108 22.881 6.789 6.558 1.00 23.52 H new ATOM 0 HG23 THR A 108 24.102 7.881 7.252 1.00 23.52 H new ATOM 1706 N ASP A 109 21.113 10.371 3.909 1.00 25.34 N ATOM 1707 CA ASP A 109 20.389 11.530 3.403 1.00 41.44 C ATOM 1708 C ASP A 109 18.884 11.286 3.431 1.00 34.03 C ATOM 1709 O ASP A 109 18.427 10.149 3.318 1.00 65.34 O ATOM 1710 CB ASP A 109 20.838 11.856 1.977 1.00 3.23 C ATOM 1711 CG ASP A 109 20.730 13.335 1.660 1.00 71.32 C ATOM 1712 OD1 ASP A 109 21.173 14.154 2.491 1.00 24.33 O ATOM 1713 OD2 ASP A 109 20.201 13.673 0.580 1.00 34.31 O ATOM 0 H ASP A 109 20.801 9.479 3.526 1.00 25.34 H new ATOM 0 HA ASP A 109 20.614 12.378 4.050 1.00 41.44 H new ATOM 0 HB2 ASP A 109 21.870 11.533 1.841 1.00 3.23 H new ATOM 0 HB3 ASP A 109 20.231 11.291 1.270 1.00 3.23 H new ATOM 1718 N MET A 110 18.118 12.361 3.585 1.00 35.02 N ATOM 1719 CA MET A 110 16.663 12.263 3.629 1.00 62.42 C ATOM 1720 C MET A 110 16.017 13.439 2.904 1.00 33.12 C ATOM 1721 O MET A 110 16.706 14.339 2.423 1.00 55.32 O ATOM 1722 CB MET A 110 16.177 12.212 5.079 1.00 43.33 C ATOM 1723 CG MET A 110 16.354 13.525 5.825 1.00 72.14 C ATOM 1724 SD MET A 110 16.045 13.365 7.594 1.00 41.31 S ATOM 1725 CE MET A 110 14.269 13.133 7.608 1.00 1.21 C ATOM 0 H MET A 110 18.480 13.310 3.681 1.00 35.02 H new ATOM 0 HA MET A 110 16.370 11.343 3.124 1.00 62.42 H new ATOM 0 HB2 MET A 110 15.123 11.936 5.091 1.00 43.33 H new ATOM 0 HB3 MET A 110 16.718 11.427 5.608 1.00 43.33 H new ATOM 0 HG2 MET A 110 17.368 13.893 5.669 1.00 72.14 H new ATOM 0 HG3 MET A 110 15.677 14.270 5.408 1.00 72.14 H new ATOM 0 HE1 MET A 110 13.911 13.125 8.638 1.00 1.21 H new ATOM 0 HE2 MET A 110 13.791 13.948 7.064 1.00 1.21 H new ATOM 0 HE3 MET A 110 14.022 12.184 7.131 1.00 1.21 H new TER 1735 MET A 110