USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 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 7 TYR OH : rot -59:sc= 1.23 USER MOD Set 1.2: A 29 SER OG : rot 171:sc= 1.06 USER MOD Set 2.1: A 23 MET CE :methyl -104:sc= -0.245 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl 167:sc= -2.53 (180deg=-3) USER MOD Set 3.1: A 14 SER OG : rot -59:sc= 0.0554 USER MOD Set 3.2: A 15 HIS : no HD1:sc= 0.112 K(o=0.17,f=-0.92) USER MOD Single : A 1 MET CE :methyl -116:sc= -8.73! (180deg=-11.1!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.358 (180deg=0.305) USER MOD Single : A 2 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 4 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 6 MET CE :methyl 157:sc= -0.122 (180deg=-0.639) USER MOD Single : A 8 ASN :FLIP amide:sc= -3.38! C(o=-4.6!,f=-3.4!) USER MOD Single : A 10 SER OG : rot -95:sc= 0.753 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 149:sc= 1.07 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 40 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.4) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 177:sc= -1.94 (180deg=-2.01) USER MOD Single : A 46 MET CE :methyl -110:sc= -2.42 (180deg=-2.51) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 19:sc= 1.74 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 180:sc= -1.53 USER MOD Single : A 71 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.33) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -140:sc= -2.78 (180deg=-6.59!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -112:sc= -0.373 (180deg=-1.41!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -47:sc= 1.3 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0328 (180deg=-0.263) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.1!) USER MOD Single : A 102 LYS NZ :NH3+ -133:sc= 0.513 (180deg=-0.559) USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0223) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.386 -0.216 -0.061 1.00 2.13 N ATOM 2 CA MET A 1 2.075 0.006 -1.327 1.00 30.11 C ATOM 3 C MET A 1 3.417 -0.720 -1.350 1.00 55.43 C ATOM 4 O MET A 1 3.881 -1.221 -0.326 1.00 64.10 O ATOM 5 CB MET A 1 2.287 1.503 -1.561 1.00 63.21 C ATOM 6 CG MET A 1 2.409 2.307 -0.277 1.00 43.52 C ATOM 7 SD MET A 1 3.772 1.751 0.764 1.00 10.33 S ATOM 8 CE MET A 1 5.118 1.739 -0.417 1.00 70.24 C ATOM 0 H1 MET A 1 0.492 0.315 -0.055 1.00 2.13 H new ATOM 0 H2 MET A 1 1.188 -1.231 0.053 1.00 2.13 H new ATOM 0 H3 MET A 1 1.987 0.109 0.723 1.00 2.13 H new ATOM 0 HA MET A 1 1.452 -0.394 -2.127 1.00 30.11 H new ATOM 0 HB2 MET A 1 3.189 1.645 -2.156 1.00 63.21 H new ATOM 0 HB3 MET A 1 1.454 1.893 -2.146 1.00 63.21 H new ATOM 0 HG2 MET A 1 2.551 3.359 -0.524 1.00 43.52 H new ATOM 0 HG3 MET A 1 1.476 2.234 0.283 1.00 43.52 H new ATOM 0 HE1 MET A 1 5.478 0.719 -0.548 1.00 70.24 H new ATOM 0 HE2 MET A 1 4.766 2.125 -1.374 1.00 70.24 H new ATOM 0 HE3 MET A 1 5.930 2.366 -0.049 1.00 70.24 H new ATOM 18 N THR A 2 4.035 -0.773 -2.526 1.00 3.41 N ATOM 19 CA THR A 2 5.322 -1.438 -2.683 1.00 25.03 C ATOM 20 C THR A 2 6.452 -0.424 -2.820 1.00 25.12 C ATOM 21 O THR A 2 6.378 0.498 -3.633 1.00 14.33 O ATOM 22 CB THR A 2 5.329 -2.366 -3.912 1.00 71.20 C ATOM 23 OG1 THR A 2 4.072 -3.042 -4.022 1.00 35.51 O ATOM 24 CG2 THR A 2 6.453 -3.387 -3.813 1.00 54.15 C ATOM 0 H THR A 2 3.665 -0.363 -3.383 1.00 3.41 H new ATOM 0 HA THR A 2 5.480 -2.035 -1.785 1.00 25.03 H new ATOM 0 HB THR A 2 5.492 -1.755 -4.800 1.00 71.20 H new ATOM 0 HG1 THR A 2 3.412 -2.442 -4.428 1.00 35.51 H new ATOM 0 HG21 THR A 2 6.438 -4.031 -4.692 1.00 54.15 H new ATOM 0 HG22 THR A 2 7.411 -2.870 -3.759 1.00 54.15 H new ATOM 0 HG23 THR A 2 6.317 -3.993 -2.917 1.00 54.15 H new ATOM 32 N LEU A 3 7.499 -0.600 -2.021 1.00 62.40 N ATOM 33 CA LEU A 3 8.647 0.300 -2.054 1.00 32.42 C ATOM 34 C LEU A 3 9.916 -0.450 -2.446 1.00 72.24 C ATOM 35 O LEU A 3 10.288 -1.436 -1.809 1.00 64.01 O ATOM 36 CB LEU A 3 8.836 0.966 -0.690 1.00 40.52 C ATOM 37 CG LEU A 3 8.941 2.492 -0.698 1.00 34.01 C ATOM 38 CD1 LEU A 3 7.869 3.096 -1.592 1.00 11.01 C ATOM 39 CD2 LEU A 3 8.829 3.041 0.717 1.00 44.21 C ATOM 0 H LEU A 3 7.577 -1.358 -1.342 1.00 62.40 H new ATOM 0 HA LEU A 3 8.455 1.068 -2.804 1.00 32.42 H new ATOM 0 HB2 LEU A 3 8.000 0.682 -0.050 1.00 40.52 H new ATOM 0 HB3 LEU A 3 9.739 0.562 -0.232 1.00 40.52 H new ATOM 0 HG LEU A 3 9.917 2.768 -1.098 1.00 34.01 H new ATOM 0 HD11 LEU A 3 7.959 4.182 -1.585 1.00 11.01 H new ATOM 0 HD12 LEU A 3 7.994 2.728 -2.610 1.00 11.01 H new ATOM 0 HD13 LEU A 3 6.884 2.811 -1.222 1.00 11.01 H new ATOM 0 HD21 LEU A 3 8.906 4.128 0.693 1.00 44.21 H new ATOM 0 HD22 LEU A 3 7.868 2.755 1.143 1.00 44.21 H new ATOM 0 HD23 LEU A 3 9.633 2.634 1.330 1.00 44.21 H new ATOM 51 N CYS A 4 10.576 0.024 -3.497 1.00 11.31 N ATOM 52 CA CYS A 4 11.805 -0.600 -3.974 1.00 33.42 C ATOM 53 C CYS A 4 12.960 0.396 -3.965 1.00 72.51 C ATOM 54 O CYS A 4 12.755 1.600 -4.116 1.00 64.44 O ATOM 55 CB CYS A 4 11.605 -1.156 -5.385 1.00 13.33 C ATOM 56 SG CYS A 4 13.126 -1.734 -6.173 1.00 12.21 S ATOM 0 H CYS A 4 10.281 0.839 -4.035 1.00 11.31 H new ATOM 0 HA CYS A 4 12.052 -1.420 -3.300 1.00 33.42 H new ATOM 0 HB2 CYS A 4 10.895 -1.982 -5.341 1.00 13.33 H new ATOM 0 HB3 CYS A 4 11.157 -0.383 -6.009 1.00 13.33 H new ATOM 0 HG CYS A 4 12.854 -2.188 -7.361 1.00 12.21 H new ATOM 62 N ALA A 5 14.173 -0.115 -3.785 1.00 64.44 N ATOM 63 CA ALA A 5 15.361 0.729 -3.757 1.00 62.11 C ATOM 64 C ALA A 5 16.451 0.174 -4.668 1.00 22.34 C ATOM 65 O ALA A 5 16.653 -1.038 -4.742 1.00 53.04 O ATOM 66 CB ALA A 5 15.879 0.864 -2.333 1.00 12.22 C ATOM 0 H ALA A 5 14.359 -1.110 -3.656 1.00 64.44 H new ATOM 0 HA ALA A 5 15.083 1.716 -4.126 1.00 62.11 H new ATOM 0 HB1 ALA A 5 16.766 1.497 -2.327 1.00 12.22 H new ATOM 0 HB2 ALA A 5 15.108 1.314 -1.707 1.00 12.22 H new ATOM 0 HB3 ALA A 5 16.134 -0.122 -1.944 1.00 12.22 H new ATOM 72 N MET A 6 17.151 1.068 -5.358 1.00 71.25 N ATOM 73 CA MET A 6 18.221 0.666 -6.264 1.00 21.11 C ATOM 74 C MET A 6 19.578 1.128 -5.741 1.00 73.31 C ATOM 75 O MET A 6 19.786 2.315 -5.491 1.00 52.32 O ATOM 76 CB MET A 6 17.978 1.239 -7.661 1.00 40.14 C ATOM 77 CG MET A 6 19.056 0.868 -8.667 1.00 20.34 C ATOM 78 SD MET A 6 18.995 1.881 -10.157 1.00 5.45 S ATOM 79 CE MET A 6 19.531 3.464 -9.511 1.00 63.02 C ATOM 0 H MET A 6 16.997 2.075 -5.307 1.00 71.25 H new ATOM 0 HA MET A 6 18.225 -0.422 -6.322 1.00 21.11 H new ATOM 0 HB2 MET A 6 17.014 0.885 -8.027 1.00 40.14 H new ATOM 0 HB3 MET A 6 17.914 2.325 -7.593 1.00 40.14 H new ATOM 0 HG2 MET A 6 20.035 0.974 -8.200 1.00 20.34 H new ATOM 0 HG3 MET A 6 18.946 -0.181 -8.941 1.00 20.34 H new ATOM 0 HE1 MET A 6 19.934 4.070 -10.322 1.00 63.02 H new ATOM 0 HE2 MET A 6 18.683 3.979 -9.060 1.00 63.02 H new ATOM 0 HE3 MET A 6 20.303 3.307 -8.757 1.00 63.02 H new ATOM 89 N TYR A 7 20.497 0.183 -5.578 1.00 34.42 N ATOM 90 CA TYR A 7 21.832 0.493 -5.082 1.00 22.30 C ATOM 91 C TYR A 7 22.899 0.058 -6.082 1.00 61.01 C ATOM 92 O TYR A 7 22.735 -0.936 -6.788 1.00 43.25 O ATOM 93 CB TYR A 7 22.071 -0.192 -3.735 1.00 53.10 C ATOM 94 CG TYR A 7 22.162 -1.698 -3.829 1.00 64.22 C ATOM 95 CD1 TYR A 7 21.016 -2.482 -3.876 1.00 64.32 C ATOM 96 CD2 TYR A 7 23.396 -2.337 -3.872 1.00 75.23 C ATOM 97 CE1 TYR A 7 21.096 -3.859 -3.961 1.00 53.34 C ATOM 98 CE2 TYR A 7 23.484 -3.713 -3.959 1.00 64.11 C ATOM 99 CZ TYR A 7 22.332 -4.469 -4.003 1.00 32.52 C ATOM 100 OH TYR A 7 22.415 -5.840 -4.089 1.00 70.32 O ATOM 0 H TYR A 7 20.342 -0.804 -5.782 1.00 34.42 H new ATOM 0 HA TYR A 7 21.901 1.573 -4.950 1.00 22.30 H new ATOM 0 HB2 TYR A 7 22.993 0.193 -3.300 1.00 53.10 H new ATOM 0 HB3 TYR A 7 21.262 0.073 -3.054 1.00 53.10 H new ATOM 0 HD1 TYR A 7 20.046 -2.007 -3.846 1.00 64.32 H new ATOM 0 HD2 TYR A 7 24.301 -1.748 -3.837 1.00 75.23 H new ATOM 0 HE1 TYR A 7 20.195 -4.454 -3.994 1.00 53.34 H new ATOM 0 HE2 TYR A 7 24.450 -4.194 -3.992 1.00 64.11 H new ATOM 0 HH TYR A 7 21.965 -6.244 -3.318 1.00 70.32 H new ATOM 110 N ASN A 8 23.993 0.811 -6.135 1.00 22.22 N ATOM 111 CA ASN A 8 25.088 0.504 -7.048 1.00 5.52 C ATOM 112 C ASN A 8 26.400 0.337 -6.287 1.00 3.41 C ATOM 113 O ASN A 8 26.710 1.116 -5.385 1.00 13.33 O ATOM 114 CB ASN A 8 25.231 1.610 -8.096 1.00 10.24 C ATOM 115 CG ASN A 8 25.908 2.849 -7.541 1.00 35.22 C ATOM 116 OD1 ASN A 8 25.139 3.920 -7.379 1.00 45.23 O flip ATOM 117 ND2 ASN A 8 27.106 2.842 -7.261 1.00 25.13 N flip ATOM 0 H ASN A 8 24.145 1.638 -5.557 1.00 22.22 H new ATOM 0 HA ASN A 8 24.857 -0.436 -7.550 1.00 5.52 H new ATOM 0 HB2 ASN A 8 25.806 1.233 -8.942 1.00 10.24 H new ATOM 0 HB3 ASN A 8 24.245 1.877 -8.475 1.00 10.24 H new ATOM 0 HD21 ASN A 8 27.658 1.996 -7.402 1.00 25.13 H new ATOM 0 HD22 ASN A 8 27.547 3.682 -6.888 1.00 25.13 H new ATOM 124 N ILE A 9 27.167 -0.682 -6.658 1.00 20.55 N ATOM 125 CA ILE A 9 28.446 -0.950 -6.011 1.00 71.44 C ATOM 126 C ILE A 9 29.603 -0.774 -6.989 1.00 21.14 C ATOM 127 O ILE A 9 29.569 -1.289 -8.106 1.00 65.31 O ATOM 128 CB ILE A 9 28.494 -2.375 -5.428 1.00 1.24 C ATOM 129 CG1 ILE A 9 27.786 -3.357 -6.363 1.00 63.11 C ATOM 130 CG2 ILE A 9 27.861 -2.402 -4.045 1.00 31.14 C ATOM 131 CD1 ILE A 9 26.304 -3.488 -6.092 1.00 52.25 C ATOM 0 H ILE A 9 26.926 -1.336 -7.403 1.00 20.55 H new ATOM 0 HA ILE A 9 28.546 -0.230 -5.199 1.00 71.44 H new ATOM 0 HB ILE A 9 29.537 -2.679 -5.336 1.00 1.24 H new ATOM 0 HG12 ILE A 9 27.931 -3.034 -7.394 1.00 63.11 H new ATOM 0 HG13 ILE A 9 28.253 -4.337 -6.268 1.00 63.11 H new ATOM 0 HG21 ILE A 9 27.902 -3.415 -3.646 1.00 31.14 H new ATOM 0 HG22 ILE A 9 28.405 -1.729 -3.383 1.00 31.14 H new ATOM 0 HG23 ILE A 9 26.822 -2.081 -4.114 1.00 31.14 H new ATOM 0 HD11 ILE A 9 25.868 -4.200 -6.792 1.00 52.25 H new ATOM 0 HD12 ILE A 9 26.150 -3.841 -5.072 1.00 52.25 H new ATOM 0 HD13 ILE A 9 25.824 -2.517 -6.216 1.00 52.25 H new ATOM 143 N SER A 10 30.627 -0.044 -6.559 1.00 3.10 N ATOM 144 CA SER A 10 31.795 0.202 -7.397 1.00 3.34 C ATOM 145 C SER A 10 33.022 -0.516 -6.843 1.00 21.02 C ATOM 146 O SER A 10 33.421 -0.295 -5.700 1.00 33.03 O ATOM 147 CB SER A 10 32.071 1.704 -7.496 1.00 32.14 C ATOM 148 OG SER A 10 32.704 2.026 -8.722 1.00 1.54 O ATOM 0 H SER A 10 30.672 0.387 -5.636 1.00 3.10 H new ATOM 0 HA SER A 10 31.585 -0.188 -8.393 1.00 3.34 H new ATOM 0 HB2 SER A 10 31.135 2.255 -7.411 1.00 32.14 H new ATOM 0 HB3 SER A 10 32.702 2.017 -6.664 1.00 32.14 H new ATOM 0 HG SER A 10 33.675 2.057 -8.591 1.00 1.54 H new ATOM 154 N MET A 11 33.616 -1.377 -7.663 1.00 20.03 N ATOM 155 CA MET A 11 34.798 -2.128 -7.256 1.00 4.40 C ATOM 156 C MET A 11 36.070 -1.332 -7.535 1.00 72.32 C ATOM 157 O MET A 11 37.172 -1.770 -7.206 1.00 73.30 O ATOM 158 CB MET A 11 34.852 -3.471 -7.986 1.00 43.24 C ATOM 159 CG MET A 11 35.025 -3.338 -9.491 1.00 4.12 C ATOM 160 SD MET A 11 33.482 -3.580 -10.391 1.00 42.25 S ATOM 161 CE MET A 11 33.892 -2.840 -11.970 1.00 41.32 C ATOM 0 H MET A 11 33.298 -1.572 -8.613 1.00 20.03 H new ATOM 0 HA MET A 11 34.732 -2.309 -6.183 1.00 4.40 H new ATOM 0 HB2 MET A 11 35.676 -4.061 -7.584 1.00 43.24 H new ATOM 0 HB3 MET A 11 33.935 -4.024 -7.781 1.00 43.24 H new ATOM 0 HG2 MET A 11 35.424 -2.350 -9.721 1.00 4.12 H new ATOM 0 HG3 MET A 11 35.759 -4.067 -9.834 1.00 4.12 H new ATOM 0 HE1 MET A 11 33.034 -2.912 -12.639 1.00 41.32 H new ATOM 0 HE2 MET A 11 34.152 -1.791 -11.824 1.00 41.32 H new ATOM 0 HE3 MET A 11 34.740 -3.366 -12.409 1.00 41.32 H new ATOM 171 N ALA A 12 35.909 -0.162 -8.144 1.00 73.12 N ATOM 172 CA ALA A 12 37.044 0.694 -8.466 1.00 15.32 C ATOM 173 C ALA A 12 36.586 1.976 -9.155 1.00 25.35 C ATOM 174 O ALA A 12 35.407 2.324 -9.120 1.00 71.44 O ATOM 175 CB ALA A 12 38.037 -0.053 -9.343 1.00 30.21 C ATOM 0 H ALA A 12 35.004 0.215 -8.424 1.00 73.12 H new ATOM 0 HA ALA A 12 37.536 0.969 -7.533 1.00 15.32 H new ATOM 0 HB1 ALA A 12 38.879 0.599 -9.575 1.00 30.21 H new ATOM 0 HB2 ALA A 12 38.396 -0.936 -8.815 1.00 30.21 H new ATOM 0 HB3 ALA A 12 37.548 -0.358 -10.268 1.00 30.21 H new ATOM 181 N GLY A 13 37.529 2.675 -9.779 1.00 41.13 N ATOM 182 CA GLY A 13 37.203 3.911 -10.467 1.00 10.05 C ATOM 183 C GLY A 13 36.704 3.675 -11.878 1.00 54.21 C ATOM 184 O GLY A 13 37.079 4.393 -12.805 1.00 24.02 O ATOM 0 H GLY A 13 38.513 2.408 -9.821 1.00 41.13 H new ATOM 0 HA2 GLY A 13 36.442 4.448 -9.901 1.00 10.05 H new ATOM 0 HA3 GLY A 13 38.086 4.549 -10.499 1.00 10.05 H new ATOM 188 N SER A 14 35.855 2.665 -12.043 1.00 43.31 N ATOM 189 CA SER A 14 35.308 2.333 -13.353 1.00 71.02 C ATOM 190 C SER A 14 33.800 2.115 -13.273 1.00 0.33 C ATOM 191 O SER A 14 33.255 1.855 -12.199 1.00 40.34 O ATOM 192 CB SER A 14 35.987 1.080 -13.910 1.00 35.10 C ATOM 193 OG SER A 14 35.722 0.929 -15.294 1.00 35.32 O ATOM 0 H SER A 14 35.531 2.063 -11.286 1.00 43.31 H new ATOM 0 HA SER A 14 35.501 3.171 -14.023 1.00 71.02 H new ATOM 0 HB2 SER A 14 37.063 1.143 -13.747 1.00 35.10 H new ATOM 0 HB3 SER A 14 35.634 0.201 -13.371 1.00 35.10 H new ATOM 0 HG SER A 14 34.755 0.864 -15.437 1.00 35.32 H new ATOM 199 N HIS A 15 33.131 2.224 -14.416 1.00 71.32 N ATOM 200 CA HIS A 15 31.685 2.038 -14.477 1.00 4.44 C ATOM 201 C HIS A 15 31.231 0.979 -13.477 1.00 63.44 C ATOM 202 O HIS A 15 31.430 -0.220 -13.674 1.00 21.41 O ATOM 203 CB HIS A 15 31.260 1.639 -15.890 1.00 12.32 C ATOM 204 CG HIS A 15 32.094 0.544 -16.480 1.00 2.41 C ATOM 205 ND1 HIS A 15 33.310 0.770 -17.090 1.00 52.33 N ATOM 206 CD2 HIS A 15 31.883 -0.791 -16.549 1.00 15.21 C ATOM 207 CE1 HIS A 15 33.809 -0.378 -17.511 1.00 30.32 C ATOM 208 NE2 HIS A 15 32.962 -1.341 -17.194 1.00 64.42 N ATOM 0 H HIS A 15 33.567 2.440 -15.313 1.00 71.32 H new ATOM 0 HA HIS A 15 31.210 2.984 -14.217 1.00 4.44 H new ATOM 0 HB2 HIS A 15 30.218 1.320 -15.871 1.00 12.32 H new ATOM 0 HB3 HIS A 15 31.314 2.514 -16.537 1.00 12.32 H new ATOM 0 HD2 HIS A 15 31.025 -1.324 -16.167 1.00 15.21 H new ATOM 0 HE1 HIS A 15 34.749 -0.507 -18.027 1.00 30.32 H new ATOM 0 HE2 HIS A 15 33.089 -2.333 -17.396 1.00 64.42 H new ATOM 216 N PRO A 16 30.607 1.429 -12.379 1.00 22.02 N ATOM 217 CA PRO A 16 30.112 0.536 -11.327 1.00 64.42 C ATOM 218 C PRO A 16 28.917 -0.293 -11.785 1.00 63.25 C ATOM 219 O PRO A 16 28.527 -0.247 -12.953 1.00 22.53 O ATOM 220 CB PRO A 16 29.699 1.497 -10.210 1.00 44.32 C ATOM 221 CG PRO A 16 29.397 2.779 -10.906 1.00 41.24 C ATOM 222 CD PRO A 16 30.336 2.845 -12.079 1.00 61.01 C ATOM 0 HA PRO A 16 30.864 -0.193 -11.024 1.00 64.42 H new ATOM 0 HB2 PRO A 16 28.828 1.125 -9.670 1.00 44.32 H new ATOM 0 HB3 PRO A 16 30.498 1.622 -9.479 1.00 44.32 H new ATOM 0 HG2 PRO A 16 28.358 2.809 -11.235 1.00 41.24 H new ATOM 0 HG3 PRO A 16 29.545 3.629 -10.240 1.00 41.24 H new ATOM 0 HD2 PRO A 16 29.883 3.356 -12.928 1.00 61.01 H new ATOM 0 HD3 PRO A 16 31.250 3.386 -11.832 1.00 61.01 H new ATOM 230 N THR A 17 28.338 -1.051 -10.859 1.00 42.02 N ATOM 231 CA THR A 17 27.188 -1.891 -11.168 1.00 52.43 C ATOM 232 C THR A 17 25.949 -1.427 -10.411 1.00 0.41 C ATOM 233 O THR A 17 25.996 -1.201 -9.201 1.00 52.11 O ATOM 234 CB THR A 17 27.462 -3.367 -10.826 1.00 31.22 C ATOM 235 OG1 THR A 17 28.624 -3.825 -11.527 1.00 35.33 O ATOM 236 CG2 THR A 17 26.268 -4.238 -11.189 1.00 42.51 C ATOM 0 H THR A 17 28.647 -1.100 -9.888 1.00 42.02 H new ATOM 0 HA THR A 17 27.010 -1.801 -12.240 1.00 52.43 H new ATOM 0 HB THR A 17 27.633 -3.442 -9.752 1.00 31.22 H new ATOM 0 HG1 THR A 17 28.792 -4.764 -11.303 1.00 35.33 H new ATOM 0 HG21 THR A 17 26.485 -5.276 -10.938 1.00 42.51 H new ATOM 0 HG22 THR A 17 25.392 -3.906 -10.631 1.00 42.51 H new ATOM 0 HG23 THR A 17 26.070 -4.157 -12.258 1.00 42.51 H new ATOM 244 N THR A 18 24.839 -1.286 -11.130 1.00 5.12 N ATOM 245 CA THR A 18 23.588 -0.848 -10.525 1.00 74.25 C ATOM 246 C THR A 18 22.613 -2.011 -10.376 1.00 40.23 C ATOM 247 O THR A 18 22.544 -2.889 -11.237 1.00 14.11 O ATOM 248 CB THR A 18 22.920 0.263 -11.358 1.00 22.20 C ATOM 249 OG1 THR A 18 23.881 0.863 -12.233 1.00 42.52 O ATOM 250 CG2 THR A 18 22.315 1.326 -10.454 1.00 50.55 C ATOM 0 H THR A 18 24.782 -1.469 -12.132 1.00 5.12 H new ATOM 0 HA THR A 18 23.834 -0.455 -9.539 1.00 74.25 H new ATOM 0 HB THR A 18 22.122 -0.185 -11.949 1.00 22.20 H new ATOM 0 HG1 THR A 18 23.449 1.567 -12.760 1.00 42.52 H new ATOM 0 HG21 THR A 18 21.849 2.100 -11.064 1.00 50.55 H new ATOM 0 HG22 THR A 18 21.563 0.870 -9.809 1.00 50.55 H new ATOM 0 HG23 THR A 18 23.098 1.770 -9.840 1.00 50.55 H new ATOM 258 N ILE A 19 21.862 -2.010 -9.280 1.00 72.14 N ATOM 259 CA ILE A 19 20.890 -3.065 -9.021 1.00 14.45 C ATOM 260 C ILE A 19 19.649 -2.510 -8.329 1.00 31.22 C ATOM 261 O ILE A 19 19.747 -1.654 -7.448 1.00 72.54 O ATOM 262 CB ILE A 19 21.492 -4.184 -8.150 1.00 51.44 C ATOM 263 CG1 ILE A 19 21.879 -5.382 -9.019 1.00 21.31 C ATOM 264 CG2 ILE A 19 20.507 -4.602 -7.069 1.00 72.13 C ATOM 265 CD1 ILE A 19 22.106 -6.652 -8.229 1.00 71.42 C ATOM 0 H ILE A 19 21.908 -1.291 -8.558 1.00 72.14 H new ATOM 0 HA ILE A 19 20.609 -3.480 -9.989 1.00 14.45 H new ATOM 0 HB ILE A 19 22.392 -3.804 -7.666 1.00 51.44 H new ATOM 0 HG12 ILE A 19 21.093 -5.556 -9.754 1.00 21.31 H new ATOM 0 HG13 ILE A 19 22.786 -5.141 -9.573 1.00 21.31 H new ATOM 0 HG21 ILE A 19 20.947 -5.393 -6.462 1.00 72.13 H new ATOM 0 HG22 ILE A 19 20.276 -3.745 -6.436 1.00 72.13 H new ATOM 0 HG23 ILE A 19 19.591 -4.968 -7.533 1.00 72.13 H new ATOM 0 HD11 ILE A 19 22.377 -7.460 -8.909 1.00 71.42 H new ATOM 0 HD12 ILE A 19 22.912 -6.495 -7.512 1.00 71.42 H new ATOM 0 HD13 ILE A 19 21.193 -6.917 -7.696 1.00 71.42 H new ATOM 277 N CYS A 20 18.484 -3.004 -8.731 1.00 75.34 N ATOM 278 CA CYS A 20 17.222 -2.559 -8.149 1.00 62.14 C ATOM 279 C CYS A 20 16.475 -3.727 -7.513 1.00 41.40 C ATOM 280 O CYS A 20 16.129 -4.697 -8.187 1.00 25.44 O ATOM 281 CB CYS A 20 16.348 -1.900 -9.217 1.00 43.14 C ATOM 282 SG CYS A 20 16.185 -2.866 -10.737 1.00 45.33 S ATOM 0 H CYS A 20 18.386 -3.713 -9.458 1.00 75.34 H new ATOM 0 HA CYS A 20 17.446 -1.828 -7.372 1.00 62.14 H new ATOM 0 HB2 CYS A 20 15.355 -1.726 -8.802 1.00 43.14 H new ATOM 0 HB3 CYS A 20 16.767 -0.924 -9.463 1.00 43.14 H new ATOM 0 HG CYS A 20 15.018 -2.648 -11.266 1.00 45.33 H new ATOM 288 N VAL A 21 16.230 -3.626 -6.210 1.00 60.14 N ATOM 289 CA VAL A 21 15.524 -4.674 -5.482 1.00 44.22 C ATOM 290 C VAL A 21 14.566 -4.080 -4.456 1.00 1.20 C ATOM 291 O VAL A 21 14.826 -3.018 -3.889 1.00 71.15 O ATOM 292 CB VAL A 21 16.507 -5.618 -4.764 1.00 42.15 C ATOM 293 CG1 VAL A 21 17.310 -6.422 -5.776 1.00 3.15 C ATOM 294 CG2 VAL A 21 17.428 -4.829 -3.846 1.00 30.44 C ATOM 0 H VAL A 21 16.510 -2.830 -5.637 1.00 60.14 H new ATOM 0 HA VAL A 21 14.956 -5.244 -6.218 1.00 44.22 H new ATOM 0 HB VAL A 21 15.934 -6.316 -4.153 1.00 42.15 H new ATOM 0 HG11 VAL A 21 17.999 -7.083 -5.251 1.00 3.15 H new ATOM 0 HG12 VAL A 21 16.632 -7.017 -6.388 1.00 3.15 H new ATOM 0 HG13 VAL A 21 17.875 -5.743 -6.415 1.00 3.15 H new ATOM 0 HG21 VAL A 21 18.116 -5.511 -3.347 1.00 30.44 H new ATOM 0 HG22 VAL A 21 17.995 -4.107 -4.433 1.00 30.44 H new ATOM 0 HG23 VAL A 21 16.834 -4.302 -3.099 1.00 30.44 H new ATOM 304 N VAL A 22 13.456 -4.772 -4.220 1.00 62.54 N ATOM 305 CA VAL A 22 12.459 -4.315 -3.261 1.00 13.24 C ATOM 306 C VAL A 22 13.010 -4.344 -1.839 1.00 54.44 C ATOM 307 O VAL A 22 13.931 -5.101 -1.535 1.00 54.13 O ATOM 308 CB VAL A 22 11.183 -5.176 -3.323 1.00 24.33 C ATOM 309 CG1 VAL A 22 10.522 -5.053 -4.687 1.00 34.43 C ATOM 310 CG2 VAL A 22 11.506 -6.629 -3.007 1.00 3.24 C ATOM 0 H VAL A 22 13.225 -5.652 -4.681 1.00 62.54 H new ATOM 0 HA VAL A 22 12.209 -3.289 -3.530 1.00 13.24 H new ATOM 0 HB VAL A 22 10.482 -4.811 -2.572 1.00 24.33 H new ATOM 0 HG11 VAL A 22 9.622 -5.668 -4.712 1.00 34.43 H new ATOM 0 HG12 VAL A 22 10.255 -4.012 -4.869 1.00 34.43 H new ATOM 0 HG13 VAL A 22 11.214 -5.391 -5.458 1.00 34.43 H new ATOM 0 HG21 VAL A 22 10.594 -7.223 -3.055 1.00 3.24 H new ATOM 0 HG22 VAL A 22 12.225 -7.008 -3.733 1.00 3.24 H new ATOM 0 HG23 VAL A 22 11.931 -6.698 -2.006 1.00 3.24 H new ATOM 320 N MET A 23 12.439 -3.514 -0.973 1.00 12.45 N ATOM 321 CA MET A 23 12.872 -3.445 0.418 1.00 20.33 C ATOM 322 C MET A 23 12.858 -4.829 1.061 1.00 55.32 C ATOM 323 O MET A 23 13.753 -5.175 1.832 1.00 53.31 O ATOM 324 CB MET A 23 11.972 -2.494 1.209 1.00 43.51 C ATOM 325 CG MET A 23 10.494 -2.837 1.117 1.00 64.04 C ATOM 326 SD MET A 23 9.885 -3.682 2.588 1.00 74.31 S ATOM 327 CE MET A 23 8.392 -2.750 2.920 1.00 53.14 C ATOM 0 H MET A 23 11.676 -2.880 -1.209 1.00 12.45 H new ATOM 0 HA MET A 23 13.894 -3.065 0.436 1.00 20.33 H new ATOM 0 HB2 MET A 23 12.275 -2.507 2.256 1.00 43.51 H new ATOM 0 HB3 MET A 23 12.124 -1.477 0.846 1.00 43.51 H new ATOM 0 HG2 MET A 23 9.921 -1.922 0.965 1.00 64.04 H new ATOM 0 HG3 MET A 23 10.325 -3.468 0.244 1.00 64.04 H new ATOM 0 HE1 MET A 23 8.562 -2.077 3.760 1.00 53.14 H new ATOM 0 HE2 MET A 23 8.122 -2.168 2.038 1.00 53.14 H new ATOM 0 HE3 MET A 23 7.581 -3.436 3.164 1.00 53.14 H new ATOM 337 N ASP A 24 11.836 -5.615 0.739 1.00 44.15 N ATOM 338 CA ASP A 24 11.706 -6.961 1.284 1.00 61.21 C ATOM 339 C ASP A 24 12.920 -7.813 0.925 1.00 1.53 C ATOM 340 O ASP A 24 13.383 -8.621 1.730 1.00 2.11 O ATOM 341 CB ASP A 24 10.430 -7.624 0.762 1.00 25.54 C ATOM 342 CG ASP A 24 9.202 -6.760 0.970 1.00 62.33 C ATOM 343 OD1 ASP A 24 8.580 -6.862 2.048 1.00 2.52 O ATOM 344 OD2 ASP A 24 8.863 -5.982 0.054 1.00 64.10 O ATOM 0 H ASP A 24 11.086 -5.343 0.104 1.00 44.15 H new ATOM 0 HA ASP A 24 11.648 -6.883 2.370 1.00 61.21 H new ATOM 0 HB2 ASP A 24 10.544 -7.838 -0.301 1.00 25.54 H new ATOM 0 HB3 ASP A 24 10.288 -8.580 1.267 1.00 25.54 H new ATOM 349 N ARG A 25 13.430 -7.626 -0.288 1.00 11.13 N ATOM 350 CA ARG A 25 14.588 -8.378 -0.754 1.00 24.43 C ATOM 351 C ARG A 25 15.869 -7.567 -0.580 1.00 62.33 C ATOM 352 O ARG A 25 16.974 -8.100 -0.690 1.00 34.34 O ATOM 353 CB ARG A 25 14.413 -8.767 -2.223 1.00 24.42 C ATOM 354 CG ARG A 25 13.265 -9.734 -2.464 1.00 42.43 C ATOM 355 CD ARG A 25 13.536 -11.090 -1.831 1.00 53.45 C ATOM 356 NE ARG A 25 12.831 -12.166 -2.522 1.00 62.43 N ATOM 357 CZ ARG A 25 12.942 -13.448 -2.191 1.00 60.03 C ATOM 358 NH1 ARG A 25 13.724 -13.811 -1.184 1.00 44.22 N ATOM 359 NH2 ARG A 25 12.269 -14.370 -2.868 1.00 12.22 N ATOM 0 H ARG A 25 13.059 -6.960 -0.966 1.00 11.13 H new ATOM 0 HA ARG A 25 14.668 -9.284 -0.153 1.00 24.43 H new ATOM 0 HB2 ARG A 25 14.247 -7.865 -2.812 1.00 24.42 H new ATOM 0 HB3 ARG A 25 15.338 -9.217 -2.584 1.00 24.42 H new ATOM 0 HG2 ARG A 25 12.345 -9.317 -2.054 1.00 42.43 H new ATOM 0 HG3 ARG A 25 13.110 -9.856 -3.536 1.00 42.43 H new ATOM 0 HD2 ARG A 25 14.607 -11.290 -1.846 1.00 53.45 H new ATOM 0 HD3 ARG A 25 13.231 -11.069 -0.785 1.00 53.45 H new ATOM 0 HE ARG A 25 12.220 -11.920 -3.301 1.00 62.43 H new ATOM 0 HH11 ARG A 25 14.243 -13.105 -0.661 1.00 44.22 H new ATOM 0 HH12 ARG A 25 13.807 -14.796 -0.932 1.00 44.22 H new ATOM 0 HH21 ARG A 25 11.666 -14.095 -3.643 1.00 12.22 H new ATOM 0 HH22 ARG A 25 12.355 -15.354 -2.613 1.00 12.22 H new ATOM 373 N PHE A 26 15.713 -6.276 -0.310 1.00 3.51 N ATOM 374 CA PHE A 26 16.857 -5.390 -0.123 1.00 32.11 C ATOM 375 C PHE A 26 17.678 -5.812 1.092 1.00 10.41 C ATOM 376 O PHE A 26 18.908 -5.850 1.042 1.00 41.43 O ATOM 377 CB PHE A 26 16.387 -3.943 0.042 1.00 70.32 C ATOM 378 CG PHE A 26 17.513 -2.961 0.193 1.00 40.15 C ATOM 379 CD1 PHE A 26 18.558 -2.939 -0.718 1.00 34.34 C ATOM 380 CD2 PHE A 26 17.527 -2.059 1.244 1.00 52.41 C ATOM 381 CE1 PHE A 26 19.595 -2.037 -0.581 1.00 3.23 C ATOM 382 CE2 PHE A 26 18.562 -1.153 1.386 1.00 73.42 C ATOM 383 CZ PHE A 26 19.597 -1.142 0.472 1.00 52.05 C ATOM 0 H PHE A 26 14.806 -5.819 -0.216 1.00 3.51 H new ATOM 0 HA PHE A 26 17.488 -5.460 -1.009 1.00 32.11 H new ATOM 0 HB2 PHE A 26 15.786 -3.664 -0.823 1.00 70.32 H new ATOM 0 HB3 PHE A 26 15.739 -3.877 0.916 1.00 70.32 H new ATOM 0 HD1 PHE A 26 18.561 -3.635 -1.544 1.00 34.34 H new ATOM 0 HD2 PHE A 26 16.720 -2.063 1.961 1.00 52.41 H new ATOM 0 HE1 PHE A 26 20.404 -2.031 -1.297 1.00 3.23 H new ATOM 0 HE2 PHE A 26 18.561 -0.455 2.210 1.00 73.42 H new ATOM 0 HZ PHE A 26 20.407 -0.435 0.580 1.00 52.05 H new ATOM 393 N LEU A 27 16.989 -6.127 2.183 1.00 3.14 N ATOM 394 CA LEU A 27 17.653 -6.545 3.413 1.00 24.40 C ATOM 395 C LEU A 27 18.522 -7.776 3.171 1.00 35.13 C ATOM 396 O LEU A 27 19.688 -7.811 3.562 1.00 13.31 O ATOM 397 CB LEU A 27 16.618 -6.843 4.499 1.00 3.33 C ATOM 398 CG LEU A 27 15.486 -7.791 4.105 1.00 35.34 C ATOM 399 CD1 LEU A 27 15.752 -9.191 4.638 1.00 52.23 C ATOM 400 CD2 LEU A 27 14.151 -7.269 4.617 1.00 73.24 C ATOM 0 H LEU A 27 15.971 -6.101 2.241 1.00 3.14 H new ATOM 0 HA LEU A 27 18.295 -5.729 3.746 1.00 24.40 H new ATOM 0 HB2 LEU A 27 17.136 -7.266 5.360 1.00 3.33 H new ATOM 0 HB3 LEU A 27 16.179 -5.899 4.823 1.00 3.33 H new ATOM 0 HG LEU A 27 15.442 -7.841 3.017 1.00 35.34 H new ATOM 0 HD11 LEU A 27 14.935 -9.852 4.348 1.00 52.23 H new ATOM 0 HD12 LEU A 27 16.688 -9.566 4.224 1.00 52.23 H new ATOM 0 HD13 LEU A 27 15.824 -9.159 5.725 1.00 52.23 H new ATOM 0 HD21 LEU A 27 13.356 -7.956 4.327 1.00 73.24 H new ATOM 0 HD22 LEU A 27 14.184 -7.190 5.704 1.00 73.24 H new ATOM 0 HD23 LEU A 27 13.955 -6.287 4.187 1.00 73.24 H new ATOM 412 N GLU A 28 17.944 -8.783 2.523 1.00 45.13 N ATOM 413 CA GLU A 28 18.667 -10.015 2.228 1.00 51.22 C ATOM 414 C GLU A 28 19.744 -9.775 1.174 1.00 3.32 C ATOM 415 O GLU A 28 20.869 -10.260 1.299 1.00 53.01 O ATOM 416 CB GLU A 28 17.699 -11.097 1.746 1.00 73.13 C ATOM 417 CG GLU A 28 18.193 -12.512 1.997 1.00 1.30 C ATOM 418 CD GLU A 28 18.549 -12.756 3.451 1.00 53.22 C ATOM 419 OE1 GLU A 28 19.718 -12.522 3.822 1.00 10.31 O ATOM 420 OE2 GLU A 28 17.659 -13.181 4.217 1.00 52.34 O ATOM 0 H GLU A 28 16.979 -8.770 2.193 1.00 45.13 H new ATOM 0 HA GLU A 28 19.150 -10.351 3.146 1.00 51.22 H new ATOM 0 HB2 GLU A 28 16.739 -10.962 2.245 1.00 73.13 H new ATOM 0 HB3 GLU A 28 17.524 -10.966 0.678 1.00 73.13 H new ATOM 0 HG2 GLU A 28 17.424 -13.221 1.691 1.00 1.30 H new ATOM 0 HG3 GLU A 28 19.068 -12.703 1.376 1.00 1.30 H new ATOM 427 N SER A 29 19.392 -9.023 0.136 1.00 14.13 N ATOM 428 CA SER A 29 20.326 -8.722 -0.942 1.00 0.51 C ATOM 429 C SER A 29 21.576 -8.034 -0.401 1.00 52.41 C ATOM 430 O SER A 29 22.696 -8.348 -0.805 1.00 74.11 O ATOM 431 CB SER A 29 19.656 -7.834 -1.993 1.00 30.22 C ATOM 432 OG SER A 29 20.618 -7.238 -2.845 1.00 42.12 O ATOM 0 H SER A 29 18.466 -8.611 0.019 1.00 14.13 H new ATOM 0 HA SER A 29 20.622 -9.663 -1.407 1.00 0.51 H new ATOM 0 HB2 SER A 29 18.960 -8.428 -2.585 1.00 30.22 H new ATOM 0 HB3 SER A 29 19.072 -7.057 -1.499 1.00 30.22 H new ATOM 0 HG SER A 29 20.164 -6.795 -3.592 1.00 42.12 H new ATOM 438 N PHE A 30 21.376 -7.093 0.516 1.00 52.55 N ATOM 439 CA PHE A 30 22.486 -6.358 1.112 1.00 35.21 C ATOM 440 C PHE A 30 23.355 -7.281 1.960 1.00 21.54 C ATOM 441 O PHE A 30 24.583 -7.243 1.880 1.00 52.21 O ATOM 442 CB PHE A 30 21.960 -5.205 1.969 1.00 54.21 C ATOM 443 CG PHE A 30 22.501 -5.203 3.370 1.00 70.51 C ATOM 444 CD1 PHE A 30 23.813 -4.834 3.620 1.00 53.34 C ATOM 445 CD2 PHE A 30 21.698 -5.573 4.437 1.00 2.33 C ATOM 446 CE1 PHE A 30 24.314 -4.831 4.908 1.00 70.03 C ATOM 447 CE2 PHE A 30 22.194 -5.572 5.727 1.00 12.44 C ATOM 448 CZ PHE A 30 23.504 -5.202 5.963 1.00 54.52 C ATOM 0 H PHE A 30 20.456 -6.821 0.863 1.00 52.55 H new ATOM 0 HA PHE A 30 23.096 -5.953 0.305 1.00 35.21 H new ATOM 0 HB2 PHE A 30 22.215 -4.260 1.489 1.00 54.21 H new ATOM 0 HB3 PHE A 30 20.872 -5.259 2.008 1.00 54.21 H new ATOM 0 HD1 PHE A 30 24.452 -4.545 2.798 1.00 53.34 H new ATOM 0 HD2 PHE A 30 20.674 -5.865 4.259 1.00 2.33 H new ATOM 0 HE1 PHE A 30 25.338 -4.539 5.089 1.00 70.03 H new ATOM 0 HE2 PHE A 30 21.558 -5.860 6.551 1.00 12.44 H new ATOM 0 HZ PHE A 30 23.894 -5.203 6.970 1.00 54.52 H new ATOM 458 N SER A 31 22.709 -8.111 2.774 1.00 40.31 N ATOM 459 CA SER A 31 23.422 -9.041 3.641 1.00 23.10 C ATOM 460 C SER A 31 24.365 -9.925 2.830 1.00 23.04 C ATOM 461 O SER A 31 25.523 -10.117 3.200 1.00 62.13 O ATOM 462 CB SER A 31 22.431 -9.911 4.417 1.00 51.52 C ATOM 463 OG SER A 31 22.979 -10.328 5.655 1.00 13.54 O ATOM 0 H SER A 31 21.693 -8.158 2.851 1.00 40.31 H new ATOM 0 HA SER A 31 24.014 -8.459 4.347 1.00 23.10 H new ATOM 0 HB2 SER A 31 21.512 -9.352 4.592 1.00 51.52 H new ATOM 0 HB3 SER A 31 22.165 -10.784 3.821 1.00 51.52 H new ATOM 0 HG SER A 31 22.326 -10.881 6.132 1.00 13.54 H new ATOM 469 N GLU A 32 23.860 -10.460 1.723 1.00 35.25 N ATOM 470 CA GLU A 32 24.656 -11.325 0.861 1.00 42.43 C ATOM 471 C GLU A 32 25.670 -10.511 0.062 1.00 50.43 C ATOM 472 O GLU A 32 26.823 -10.914 -0.094 1.00 23.14 O ATOM 473 CB GLU A 32 23.750 -12.107 -0.092 1.00 33.12 C ATOM 474 CG GLU A 32 24.406 -13.347 -0.675 1.00 73.30 C ATOM 475 CD GLU A 32 24.439 -14.505 0.304 1.00 4.31 C ATOM 476 OE1 GLU A 32 25.289 -14.482 1.219 1.00 31.04 O ATOM 477 OE2 GLU A 32 23.617 -15.433 0.155 1.00 3.43 O ATOM 0 H GLU A 32 22.904 -10.310 1.402 1.00 35.25 H new ATOM 0 HA GLU A 32 25.197 -12.028 1.495 1.00 42.43 H new ATOM 0 HB2 GLU A 32 22.845 -12.401 0.440 1.00 33.12 H new ATOM 0 HB3 GLU A 32 23.442 -11.452 -0.907 1.00 33.12 H new ATOM 0 HG2 GLU A 32 23.867 -13.650 -1.573 1.00 73.30 H new ATOM 0 HG3 GLU A 32 25.424 -13.105 -0.980 1.00 73.30 H new ATOM 484 N LEU A 33 25.232 -9.363 -0.444 1.00 14.14 N ATOM 485 CA LEU A 33 26.099 -8.491 -1.228 1.00 5.15 C ATOM 486 C LEU A 33 27.358 -8.129 -0.445 1.00 53.20 C ATOM 487 O LEU A 33 28.451 -8.056 -1.007 1.00 30.12 O ATOM 488 CB LEU A 33 25.350 -7.219 -1.628 1.00 2.24 C ATOM 489 CG LEU A 33 26.152 -6.191 -2.428 1.00 34.42 C ATOM 490 CD1 LEU A 33 26.961 -5.303 -1.496 1.00 42.11 C ATOM 491 CD2 LEU A 33 27.062 -6.887 -3.429 1.00 22.42 C ATOM 0 H LEU A 33 24.281 -9.015 -0.325 1.00 14.14 H new ATOM 0 HA LEU A 33 26.395 -9.029 -2.129 1.00 5.15 H new ATOM 0 HB2 LEU A 33 24.477 -7.505 -2.214 1.00 2.24 H new ATOM 0 HB3 LEU A 33 24.982 -6.738 -0.722 1.00 2.24 H new ATOM 0 HG LEU A 33 25.453 -5.562 -2.979 1.00 34.42 H new ATOM 0 HD11 LEU A 33 27.525 -4.578 -2.083 1.00 42.11 H new ATOM 0 HD12 LEU A 33 26.288 -4.777 -0.819 1.00 42.11 H new ATOM 0 HD13 LEU A 33 27.651 -5.917 -0.917 1.00 42.11 H new ATOM 0 HD21 LEU A 33 27.625 -6.140 -3.989 1.00 22.42 H new ATOM 0 HD22 LEU A 33 27.754 -7.541 -2.898 1.00 22.42 H new ATOM 0 HD23 LEU A 33 26.460 -7.479 -4.118 1.00 22.42 H new ATOM 503 N TYR A 34 27.196 -7.905 0.854 1.00 0.12 N ATOM 504 CA TYR A 34 28.319 -7.550 1.714 1.00 32.33 C ATOM 505 C TYR A 34 29.287 -8.721 1.856 1.00 2.41 C ATOM 506 O TYR A 34 30.496 -8.528 1.986 1.00 63.23 O ATOM 507 CB TYR A 34 27.816 -7.120 3.093 1.00 10.13 C ATOM 508 CG TYR A 34 28.912 -7.003 4.128 1.00 2.20 C ATOM 509 CD1 TYR A 34 29.626 -5.821 4.282 1.00 13.24 C ATOM 510 CD2 TYR A 34 29.234 -8.074 4.952 1.00 33.42 C ATOM 511 CE1 TYR A 34 30.629 -5.710 5.226 1.00 55.20 C ATOM 512 CE2 TYR A 34 30.234 -7.972 5.900 1.00 50.05 C ATOM 513 CZ TYR A 34 30.929 -6.788 6.032 1.00 12.12 C ATOM 514 OH TYR A 34 31.926 -6.681 6.974 1.00 1.14 O ATOM 0 H TYR A 34 26.298 -7.963 1.335 1.00 0.12 H new ATOM 0 HA TYR A 34 28.849 -6.717 1.252 1.00 32.33 H new ATOM 0 HB2 TYR A 34 27.309 -6.159 3.002 1.00 10.13 H new ATOM 0 HB3 TYR A 34 27.075 -7.840 3.441 1.00 10.13 H new ATOM 0 HD1 TYR A 34 29.393 -4.974 3.653 1.00 13.24 H new ATOM 0 HD2 TYR A 34 28.693 -9.003 4.850 1.00 33.42 H new ATOM 0 HE1 TYR A 34 31.175 -4.784 5.332 1.00 55.20 H new ATOM 0 HE2 TYR A 34 30.470 -8.814 6.534 1.00 50.05 H new ATOM 0 HH TYR A 34 32.010 -7.529 7.459 1.00 1.14 H new ATOM 524 N ASP A 35 28.747 -9.934 1.830 1.00 55.32 N ATOM 525 CA ASP A 35 29.561 -11.137 1.954 1.00 43.25 C ATOM 526 C ASP A 35 30.350 -11.393 0.673 1.00 73.20 C ATOM 527 O ASP A 35 31.422 -11.999 0.703 1.00 14.43 O ATOM 528 CB ASP A 35 28.680 -12.345 2.275 1.00 52.31 C ATOM 529 CG ASP A 35 29.043 -12.991 3.597 1.00 21.12 C ATOM 530 OD1 ASP A 35 30.147 -13.566 3.692 1.00 23.23 O ATOM 531 OD2 ASP A 35 28.223 -12.923 4.537 1.00 51.23 O ATOM 0 H ASP A 35 27.748 -10.110 1.724 1.00 55.32 H new ATOM 0 HA ASP A 35 30.267 -10.986 2.771 1.00 43.25 H new ATOM 0 HB2 ASP A 35 27.636 -12.033 2.301 1.00 52.31 H new ATOM 0 HB3 ASP A 35 28.773 -13.081 1.477 1.00 52.31 H new ATOM 536 N ILE A 36 29.811 -10.930 -0.450 1.00 5.20 N ATOM 537 CA ILE A 36 30.465 -11.109 -1.740 1.00 71.15 C ATOM 538 C ILE A 36 31.252 -9.864 -2.136 1.00 73.20 C ATOM 539 O ILE A 36 32.105 -9.913 -3.022 1.00 5.10 O ATOM 540 CB ILE A 36 29.445 -11.431 -2.848 1.00 75.22 C ATOM 541 CG1 ILE A 36 30.147 -11.542 -4.203 1.00 3.42 C ATOM 542 CG2 ILE A 36 28.359 -10.367 -2.894 1.00 14.41 C ATOM 543 CD1 ILE A 36 30.056 -10.282 -5.035 1.00 73.04 C ATOM 0 H ILE A 36 28.924 -10.429 -0.492 1.00 5.20 H new ATOM 0 HA ILE A 36 31.150 -11.950 -1.632 1.00 71.15 H new ATOM 0 HB ILE A 36 28.978 -12.390 -2.623 1.00 75.22 H new ATOM 0 HG12 ILE A 36 31.197 -11.785 -4.040 1.00 3.42 H new ATOM 0 HG13 ILE A 36 29.711 -12.370 -4.762 1.00 3.42 H new ATOM 0 HG21 ILE A 36 27.646 -10.609 -3.682 1.00 14.41 H new ATOM 0 HG22 ILE A 36 27.842 -10.333 -1.935 1.00 14.41 H new ATOM 0 HG23 ILE A 36 28.810 -9.396 -3.098 1.00 14.41 H new ATOM 0 HD11 ILE A 36 30.575 -10.433 -5.982 1.00 73.04 H new ATOM 0 HD12 ILE A 36 29.009 -10.049 -5.229 1.00 73.04 H new ATOM 0 HD13 ILE A 36 30.518 -9.455 -4.495 1.00 73.04 H new ATOM 555 N ILE A 37 30.960 -8.751 -1.472 1.00 54.23 N ATOM 556 CA ILE A 37 31.642 -7.494 -1.753 1.00 10.33 C ATOM 557 C ILE A 37 33.144 -7.620 -1.523 1.00 21.44 C ATOM 558 O ILE A 37 33.926 -6.794 -1.993 1.00 64.54 O ATOM 559 CB ILE A 37 31.095 -6.349 -0.879 1.00 71.22 C ATOM 560 CG1 ILE A 37 31.481 -4.994 -1.476 1.00 30.15 C ATOM 561 CG2 ILE A 37 31.615 -6.475 0.545 1.00 41.10 C ATOM 562 CD1 ILE A 37 30.720 -4.650 -2.736 1.00 53.15 C ATOM 0 H ILE A 37 30.256 -8.694 -0.736 1.00 54.23 H new ATOM 0 HA ILE A 37 31.455 -7.262 -2.801 1.00 10.33 H new ATOM 0 HB ILE A 37 30.007 -6.417 -0.855 1.00 71.22 H new ATOM 0 HG12 ILE A 37 31.307 -4.216 -0.733 1.00 30.15 H new ATOM 0 HG13 ILE A 37 32.549 -4.993 -1.695 1.00 30.15 H new ATOM 0 HG21 ILE A 37 31.220 -5.659 1.150 1.00 41.10 H new ATOM 0 HG22 ILE A 37 31.294 -7.428 0.966 1.00 41.10 H new ATOM 0 HG23 ILE A 37 32.704 -6.429 0.540 1.00 41.10 H new ATOM 0 HD11 ILE A 37 31.045 -3.677 -3.103 1.00 53.15 H new ATOM 0 HD12 ILE A 37 30.913 -5.407 -3.496 1.00 53.15 H new ATOM 0 HD13 ILE A 37 29.652 -4.618 -2.519 1.00 53.15 H new ATOM 574 N ASP A 38 33.540 -8.660 -0.797 1.00 62.54 N ATOM 575 CA ASP A 38 34.949 -8.898 -0.507 1.00 44.20 C ATOM 576 C ASP A 38 35.604 -9.712 -1.619 1.00 12.11 C ATOM 577 O ASP A 38 36.085 -10.821 -1.388 1.00 12.32 O ATOM 578 CB ASP A 38 35.101 -9.624 0.831 1.00 43.24 C ATOM 579 CG ASP A 38 36.536 -9.640 1.321 1.00 72.42 C ATOM 580 OD1 ASP A 38 37.079 -8.552 1.602 1.00 13.24 O ATOM 581 OD2 ASP A 38 37.116 -10.742 1.422 1.00 51.11 O ATOM 0 H ASP A 38 32.905 -9.352 -0.399 1.00 62.54 H new ATOM 0 HA ASP A 38 35.450 -7.932 -0.446 1.00 44.20 H new ATOM 0 HB2 ASP A 38 34.471 -9.140 1.577 1.00 43.24 H new ATOM 0 HB3 ASP A 38 34.744 -10.649 0.728 1.00 43.24 H new ATOM 586 N GLU A 39 35.616 -9.154 -2.825 1.00 45.33 N ATOM 587 CA GLU A 39 36.210 -9.830 -3.973 1.00 1.32 C ATOM 588 C GLU A 39 36.788 -8.820 -4.960 1.00 54.24 C ATOM 589 O GLU A 39 36.833 -7.622 -4.684 1.00 1.11 O ATOM 590 CB GLU A 39 35.168 -10.705 -4.672 1.00 62.14 C ATOM 591 CG GLU A 39 33.953 -9.934 -5.159 1.00 11.41 C ATOM 592 CD GLU A 39 34.021 -9.611 -6.639 1.00 73.31 C ATOM 593 OE1 GLU A 39 34.734 -8.654 -7.005 1.00 1.41 O ATOM 594 OE2 GLU A 39 33.361 -10.316 -7.431 1.00 51.22 O ATOM 0 H GLU A 39 35.222 -8.237 -3.033 1.00 45.33 H new ATOM 0 HA GLU A 39 37.021 -10.462 -3.611 1.00 1.32 H new ATOM 0 HB2 GLU A 39 35.635 -11.204 -5.521 1.00 62.14 H new ATOM 0 HB3 GLU A 39 34.841 -11.485 -3.985 1.00 62.14 H new ATOM 0 HG2 GLU A 39 33.054 -10.517 -4.959 1.00 11.41 H new ATOM 0 HG3 GLU A 39 33.865 -9.007 -4.592 1.00 11.41 H new ATOM 601 N ASN A 40 37.228 -9.314 -6.113 1.00 42.40 N ATOM 602 CA ASN A 40 37.804 -8.455 -7.142 1.00 21.31 C ATOM 603 C ASN A 40 37.626 -9.071 -8.526 1.00 60.14 C ATOM 604 O ASN A 40 38.381 -8.773 -9.452 1.00 3.53 O ATOM 605 CB ASN A 40 39.290 -8.218 -6.864 1.00 52.34 C ATOM 606 CG ASN A 40 39.867 -7.106 -7.719 1.00 61.13 C ATOM 607 OD1 ASN A 40 39.179 -6.140 -8.049 1.00 73.20 O ATOM 608 ND2 ASN A 40 41.138 -7.238 -8.083 1.00 35.44 N ATOM 0 H ASN A 40 37.197 -10.304 -6.358 1.00 42.40 H new ATOM 0 HA ASN A 40 37.280 -7.500 -7.119 1.00 21.31 H new ATOM 0 HB2 ASN A 40 39.425 -7.971 -5.811 1.00 52.34 H new ATOM 0 HB3 ASN A 40 39.843 -9.139 -7.049 1.00 52.34 H new ATOM 0 HD21 ASN A 40 41.581 -6.522 -8.659 1.00 35.44 H new ATOM 0 HD22 ASN A 40 41.671 -8.056 -7.787 1.00 35.44 H new ATOM 615 N ASP A 41 36.623 -9.931 -8.661 1.00 35.15 N ATOM 616 CA ASP A 41 36.343 -10.588 -9.932 1.00 65.22 C ATOM 617 C ASP A 41 35.053 -10.055 -10.547 1.00 63.45 C ATOM 618 O ASP A 41 34.035 -9.926 -9.867 1.00 52.12 O ATOM 619 CB ASP A 41 36.243 -12.102 -9.737 1.00 41.13 C ATOM 620 CG ASP A 41 37.344 -12.645 -8.847 1.00 74.23 C ATOM 621 OD1 ASP A 41 38.527 -12.529 -9.229 1.00 23.32 O ATOM 622 OD2 ASP A 41 37.021 -13.186 -7.769 1.00 2.42 O ATOM 0 H ASP A 41 35.989 -10.190 -7.905 1.00 35.15 H new ATOM 0 HA ASP A 41 37.165 -10.371 -10.614 1.00 65.22 H new ATOM 0 HB2 ASP A 41 35.274 -12.346 -9.301 1.00 41.13 H new ATOM 0 HB3 ASP A 41 36.289 -12.594 -10.708 1.00 41.13 H new ATOM 627 N THR A 42 35.103 -9.746 -11.840 1.00 22.44 N ATOM 628 CA THR A 42 33.940 -9.225 -12.546 1.00 60.54 C ATOM 629 C THR A 42 32.890 -10.311 -12.752 1.00 71.11 C ATOM 630 O THR A 42 31.689 -10.048 -12.684 1.00 2.33 O ATOM 631 CB THR A 42 34.331 -8.639 -13.916 1.00 70.21 C ATOM 632 OG1 THR A 42 35.084 -9.601 -14.664 1.00 4.45 O ATOM 633 CG2 THR A 42 35.148 -7.367 -13.747 1.00 62.41 C ATOM 0 H THR A 42 35.937 -9.848 -12.418 1.00 22.44 H new ATOM 0 HA THR A 42 33.522 -8.432 -11.925 1.00 60.54 H new ATOM 0 HB THR A 42 33.417 -8.395 -14.457 1.00 70.21 H new ATOM 0 HG1 THR A 42 35.327 -9.221 -15.534 1.00 4.45 H new ATOM 0 HG21 THR A 42 35.413 -6.971 -14.728 1.00 62.41 H new ATOM 0 HG22 THR A 42 34.561 -6.627 -13.204 1.00 62.41 H new ATOM 0 HG23 THR A 42 36.057 -7.590 -13.188 1.00 62.41 H new ATOM 641 N ASP A 43 33.349 -11.532 -13.003 1.00 44.15 N ATOM 642 CA ASP A 43 32.449 -12.659 -13.217 1.00 51.14 C ATOM 643 C ASP A 43 31.611 -12.929 -11.971 1.00 63.24 C ATOM 644 O ASP A 43 30.407 -13.171 -12.060 1.00 43.42 O ATOM 645 CB ASP A 43 33.244 -13.910 -13.594 1.00 72.11 C ATOM 646 CG ASP A 43 32.440 -14.871 -14.448 1.00 22.33 C ATOM 647 OD1 ASP A 43 31.449 -15.432 -13.936 1.00 12.00 O ATOM 648 OD2 ASP A 43 32.803 -15.064 -15.627 1.00 42.43 O ATOM 0 H ASP A 43 34.340 -11.767 -13.063 1.00 44.15 H new ATOM 0 HA ASP A 43 31.777 -12.405 -14.037 1.00 51.14 H new ATOM 0 HB2 ASP A 43 34.145 -13.616 -14.133 1.00 72.11 H new ATOM 0 HB3 ASP A 43 33.568 -14.419 -12.686 1.00 72.11 H new ATOM 653 N VAL A 44 32.257 -12.888 -10.810 1.00 72.21 N ATOM 654 CA VAL A 44 31.572 -13.129 -9.546 1.00 12.43 C ATOM 655 C VAL A 44 30.582 -12.011 -9.236 1.00 31.42 C ATOM 656 O VAL A 44 29.477 -12.263 -8.755 1.00 44.21 O ATOM 657 CB VAL A 44 32.571 -13.252 -8.380 1.00 44.24 C ATOM 658 CG1 VAL A 44 31.836 -13.307 -7.050 1.00 5.12 C ATOM 659 CG2 VAL A 44 33.453 -14.478 -8.563 1.00 4.32 C ATOM 0 H VAL A 44 33.253 -12.690 -10.719 1.00 72.21 H new ATOM 0 HA VAL A 44 31.032 -14.070 -9.653 1.00 12.43 H new ATOM 0 HB VAL A 44 33.210 -12.369 -8.377 1.00 44.24 H new ATOM 0 HG11 VAL A 44 32.558 -13.394 -6.238 1.00 5.12 H new ATOM 0 HG12 VAL A 44 31.251 -12.396 -6.919 1.00 5.12 H new ATOM 0 HG13 VAL A 44 31.171 -14.170 -7.037 1.00 5.12 H new ATOM 0 HG21 VAL A 44 34.153 -14.550 -7.731 1.00 4.32 H new ATOM 0 HG22 VAL A 44 32.831 -15.373 -8.593 1.00 4.32 H new ATOM 0 HG23 VAL A 44 34.008 -14.391 -9.497 1.00 4.32 H new ATOM 669 N MET A 45 30.986 -10.776 -9.515 1.00 34.30 N ATOM 670 CA MET A 45 30.133 -9.620 -9.267 1.00 53.35 C ATOM 671 C MET A 45 28.951 -9.599 -10.232 1.00 20.21 C ATOM 672 O MET A 45 27.813 -9.361 -9.829 1.00 2.54 O ATOM 673 CB MET A 45 30.939 -8.326 -9.403 1.00 32.43 C ATOM 674 CG MET A 45 31.488 -7.812 -8.082 1.00 51.20 C ATOM 675 SD MET A 45 31.526 -6.011 -8.000 1.00 52.11 S ATOM 676 CE MET A 45 29.778 -5.641 -7.870 1.00 22.14 C ATOM 0 H MET A 45 31.898 -10.550 -9.913 1.00 34.30 H new ATOM 0 HA MET A 45 29.748 -9.696 -8.250 1.00 53.35 H new ATOM 0 HB2 MET A 45 31.768 -8.494 -10.091 1.00 32.43 H new ATOM 0 HB3 MET A 45 30.306 -7.558 -9.848 1.00 32.43 H new ATOM 0 HG2 MET A 45 30.877 -8.196 -7.265 1.00 51.20 H new ATOM 0 HG3 MET A 45 32.496 -8.200 -7.936 1.00 51.20 H new ATOM 0 HE1 MET A 45 29.641 -4.566 -7.757 1.00 22.14 H new ATOM 0 HE2 MET A 45 29.267 -5.979 -8.771 1.00 22.14 H new ATOM 0 HE3 MET A 45 29.361 -6.153 -7.003 1.00 22.14 H new ATOM 686 N MET A 46 29.229 -9.851 -11.507 1.00 2.41 N ATOM 687 CA MET A 46 28.188 -9.862 -12.528 1.00 0.30 C ATOM 688 C MET A 46 27.253 -11.052 -12.338 1.00 12.41 C ATOM 689 O MET A 46 26.045 -10.945 -12.553 1.00 3.51 O ATOM 690 CB MET A 46 28.813 -9.907 -13.924 1.00 20.24 C ATOM 691 CG MET A 46 29.359 -11.275 -14.301 1.00 15.11 C ATOM 692 SD MET A 46 30.067 -11.307 -15.959 1.00 32.13 S ATOM 693 CE MET A 46 31.246 -9.963 -15.849 1.00 74.04 C ATOM 0 H MET A 46 30.166 -10.050 -11.858 1.00 2.41 H new ATOM 0 HA MET A 46 27.606 -8.946 -12.428 1.00 0.30 H new ATOM 0 HB2 MET A 46 28.065 -9.609 -14.658 1.00 20.24 H new ATOM 0 HB3 MET A 46 29.620 -9.176 -13.976 1.00 20.24 H new ATOM 0 HG2 MET A 46 30.121 -11.569 -13.579 1.00 15.11 H new ATOM 0 HG3 MET A 46 28.558 -12.012 -14.238 1.00 15.11 H new ATOM 0 HE1 MET A 46 30.904 -9.128 -16.461 1.00 74.04 H new ATOM 0 HE2 MET A 46 31.334 -9.640 -14.812 1.00 74.04 H new ATOM 0 HE3 MET A 46 32.218 -10.302 -16.207 1.00 74.04 H new ATOM 703 N ASP A 47 27.818 -12.184 -11.934 1.00 61.05 N ATOM 704 CA ASP A 47 27.034 -13.394 -11.715 1.00 2.01 C ATOM 705 C ASP A 47 26.092 -13.223 -10.527 1.00 63.11 C ATOM 706 O ASP A 47 24.933 -13.636 -10.576 1.00 65.20 O ATOM 707 CB ASP A 47 27.958 -14.590 -11.481 1.00 61.30 C ATOM 708 CG ASP A 47 27.215 -15.801 -10.952 1.00 12.03 C ATOM 709 OD1 ASP A 47 26.537 -16.478 -11.753 1.00 33.43 O ATOM 710 OD2 ASP A 47 27.312 -16.072 -9.737 1.00 12.33 O ATOM 0 H ASP A 47 28.816 -12.289 -11.751 1.00 61.05 H new ATOM 0 HA ASP A 47 26.435 -13.576 -12.607 1.00 2.01 H new ATOM 0 HB2 ASP A 47 28.453 -14.851 -12.416 1.00 61.30 H new ATOM 0 HB3 ASP A 47 28.739 -14.309 -10.774 1.00 61.30 H new ATOM 715 N PHE A 48 26.598 -12.613 -9.461 1.00 11.35 N ATOM 716 CA PHE A 48 25.802 -12.389 -8.259 1.00 4.00 C ATOM 717 C PHE A 48 24.758 -11.301 -8.493 1.00 21.32 C ATOM 718 O PHE A 48 23.591 -11.460 -8.134 1.00 52.32 O ATOM 719 CB PHE A 48 26.707 -12.000 -7.088 1.00 1.21 C ATOM 720 CG PHE A 48 25.956 -11.464 -5.903 1.00 2.52 C ATOM 721 CD1 PHE A 48 25.461 -12.321 -4.933 1.00 45.05 C ATOM 722 CD2 PHE A 48 25.745 -10.102 -5.759 1.00 14.25 C ATOM 723 CE1 PHE A 48 24.770 -11.831 -3.841 1.00 43.34 C ATOM 724 CE2 PHE A 48 25.055 -9.606 -4.669 1.00 13.34 C ATOM 725 CZ PHE A 48 24.566 -10.471 -3.710 1.00 31.25 C ATOM 0 H PHE A 48 27.555 -12.265 -9.404 1.00 11.35 H new ATOM 0 HA PHE A 48 25.285 -13.318 -8.017 1.00 4.00 H new ATOM 0 HB2 PHE A 48 27.283 -12.872 -6.779 1.00 1.21 H new ATOM 0 HB3 PHE A 48 27.422 -11.249 -7.425 1.00 1.21 H new ATOM 0 HD1 PHE A 48 25.617 -13.385 -5.032 1.00 45.05 H new ATOM 0 HD2 PHE A 48 26.124 -9.421 -6.507 1.00 14.25 H new ATOM 0 HE1 PHE A 48 24.390 -12.510 -3.092 1.00 43.34 H new ATOM 0 HE2 PHE A 48 24.898 -8.542 -4.567 1.00 13.34 H new ATOM 0 HZ PHE A 48 24.025 -10.085 -2.859 1.00 31.25 H new ATOM 735 N ILE A 49 25.187 -10.198 -9.095 1.00 51.45 N ATOM 736 CA ILE A 49 24.290 -9.084 -9.378 1.00 33.03 C ATOM 737 C ILE A 49 23.175 -9.504 -10.329 1.00 74.12 C ATOM 738 O ILE A 49 21.999 -9.241 -10.078 1.00 54.45 O ATOM 739 CB ILE A 49 25.048 -7.891 -9.988 1.00 41.24 C ATOM 740 CG1 ILE A 49 25.448 -6.898 -8.895 1.00 35.45 C ATOM 741 CG2 ILE A 49 24.195 -7.207 -11.046 1.00 41.52 C ATOM 742 CD1 ILE A 49 26.725 -7.273 -8.176 1.00 43.45 C ATOM 0 H ILE A 49 26.150 -10.051 -9.397 1.00 51.45 H new ATOM 0 HA ILE A 49 23.856 -8.779 -8.426 1.00 33.03 H new ATOM 0 HB ILE A 49 25.956 -8.262 -10.464 1.00 41.24 H new ATOM 0 HG12 ILE A 49 25.567 -5.910 -9.339 1.00 35.45 H new ATOM 0 HG13 ILE A 49 24.639 -6.825 -8.168 1.00 35.45 H new ATOM 0 HG21 ILE A 49 24.744 -6.366 -11.468 1.00 41.52 H new ATOM 0 HG22 ILE A 49 23.957 -7.918 -11.837 1.00 41.52 H new ATOM 0 HG23 ILE A 49 23.272 -6.847 -10.592 1.00 41.52 H new ATOM 0 HD11 ILE A 49 26.947 -6.525 -7.415 1.00 43.45 H new ATOM 0 HD12 ILE A 49 26.603 -8.247 -7.702 1.00 43.45 H new ATOM 0 HD13 ILE A 49 27.546 -7.318 -8.892 1.00 43.45 H new ATOM 754 N SER A 50 23.552 -10.161 -11.421 1.00 41.34 N ATOM 755 CA SER A 50 22.584 -10.616 -12.412 1.00 62.34 C ATOM 756 C SER A 50 21.634 -11.647 -11.810 1.00 11.31 C ATOM 757 O SER A 50 20.440 -11.656 -12.109 1.00 52.41 O ATOM 758 CB SER A 50 23.304 -11.216 -13.622 1.00 3.42 C ATOM 759 OG SER A 50 22.404 -11.436 -14.694 1.00 20.44 O ATOM 0 H SER A 50 24.521 -10.390 -11.642 1.00 41.34 H new ATOM 0 HA SER A 50 22.000 -9.754 -12.735 1.00 62.34 H new ATOM 0 HB2 SER A 50 24.101 -10.546 -13.944 1.00 3.42 H new ATOM 0 HB3 SER A 50 23.774 -12.158 -13.339 1.00 3.42 H new ATOM 0 HG SER A 50 22.889 -11.818 -15.455 1.00 20.44 H new ATOM 765 N ARG A 51 22.174 -12.514 -10.959 1.00 55.33 N ATOM 766 CA ARG A 51 21.375 -13.550 -10.315 1.00 42.40 C ATOM 767 C ARG A 51 20.464 -12.949 -9.248 1.00 63.22 C ATOM 768 O ARG A 51 19.385 -13.474 -8.971 1.00 44.22 O ATOM 769 CB ARG A 51 22.285 -14.608 -9.688 1.00 15.12 C ATOM 770 CG ARG A 51 22.816 -15.623 -10.686 1.00 72.51 C ATOM 771 CD ARG A 51 23.803 -16.580 -10.036 1.00 33.23 C ATOM 772 NE ARG A 51 23.195 -17.335 -8.943 1.00 54.03 N ATOM 773 CZ ARG A 51 23.892 -18.041 -8.060 1.00 40.31 C ATOM 774 NH1 ARG A 51 25.215 -18.088 -8.140 1.00 54.40 N ATOM 775 NH2 ARG A 51 23.266 -18.701 -7.094 1.00 64.00 N ATOM 0 H ARG A 51 23.160 -12.520 -10.700 1.00 55.33 H new ATOM 0 HA ARG A 51 20.752 -14.021 -11.076 1.00 42.40 H new ATOM 0 HB2 ARG A 51 23.127 -14.111 -9.205 1.00 15.12 H new ATOM 0 HB3 ARG A 51 21.734 -15.133 -8.907 1.00 15.12 H new ATOM 0 HG2 ARG A 51 21.985 -16.188 -11.109 1.00 72.51 H new ATOM 0 HG3 ARG A 51 23.302 -15.103 -11.512 1.00 72.51 H new ATOM 0 HD2 ARG A 51 24.184 -17.272 -10.787 1.00 33.23 H new ATOM 0 HD3 ARG A 51 24.657 -16.018 -9.657 1.00 33.23 H new ATOM 0 HE ARG A 51 22.179 -17.319 -8.853 1.00 54.03 H new ATOM 0 HH11 ARG A 51 25.699 -17.581 -8.881 1.00 54.40 H new ATOM 0 HH12 ARG A 51 25.748 -18.631 -7.461 1.00 54.40 H new ATOM 0 HH21 ARG A 51 22.249 -18.666 -7.029 1.00 64.00 H new ATOM 0 HH22 ARG A 51 23.802 -19.243 -6.416 1.00 64.00 H new ATOM 789 N PHE A 52 20.906 -11.847 -8.652 1.00 44.22 N ATOM 790 CA PHE A 52 20.132 -11.176 -7.615 1.00 1.34 C ATOM 791 C PHE A 52 19.211 -10.120 -8.220 1.00 23.30 C ATOM 792 O PHE A 52 18.299 -9.625 -7.559 1.00 40.43 O ATOM 793 CB PHE A 52 21.066 -10.527 -6.591 1.00 20.23 C ATOM 794 CG PHE A 52 21.338 -11.393 -5.394 1.00 74.30 C ATOM 795 CD1 PHE A 52 21.519 -12.759 -5.538 1.00 33.51 C ATOM 796 CD2 PHE A 52 21.413 -10.841 -4.125 1.00 75.44 C ATOM 797 CE1 PHE A 52 21.768 -13.559 -4.438 1.00 51.33 C ATOM 798 CE2 PHE A 52 21.662 -11.636 -3.022 1.00 11.40 C ATOM 799 CZ PHE A 52 21.841 -12.996 -3.179 1.00 31.00 C ATOM 0 H PHE A 52 21.796 -11.400 -8.870 1.00 44.22 H new ATOM 0 HA PHE A 52 19.518 -11.924 -7.114 1.00 1.34 H new ATOM 0 HB2 PHE A 52 22.011 -10.284 -7.076 1.00 20.23 H new ATOM 0 HB3 PHE A 52 20.628 -9.586 -6.257 1.00 20.23 H new ATOM 0 HD1 PHE A 52 21.465 -13.204 -6.521 1.00 33.51 H new ATOM 0 HD2 PHE A 52 21.275 -9.778 -3.996 1.00 75.44 H new ATOM 0 HE1 PHE A 52 21.905 -14.623 -4.563 1.00 51.33 H new ATOM 0 HE2 PHE A 52 21.716 -11.194 -2.038 1.00 11.40 H new ATOM 0 HZ PHE A 52 22.038 -13.619 -2.319 1.00 31.00 H new ATOM 809 N ALA A 53 19.458 -9.781 -9.481 1.00 62.51 N ATOM 810 CA ALA A 53 18.651 -8.787 -10.177 1.00 4.42 C ATOM 811 C ALA A 53 17.872 -9.418 -11.326 1.00 1.43 C ATOM 812 O ALA A 53 18.126 -10.560 -11.707 1.00 23.32 O ATOM 813 CB ALA A 53 19.533 -7.658 -10.691 1.00 70.33 C ATOM 0 H ALA A 53 20.211 -10.180 -10.041 1.00 62.51 H new ATOM 0 HA ALA A 53 17.932 -8.378 -9.468 1.00 4.42 H new ATOM 0 HB1 ALA A 53 18.918 -6.922 -11.209 1.00 70.33 H new ATOM 0 HB2 ALA A 53 20.039 -7.181 -9.852 1.00 70.33 H new ATOM 0 HB3 ALA A 53 20.275 -8.061 -11.381 1.00 70.33 H new ATOM 819 N ARG A 54 16.922 -8.667 -11.873 1.00 42.51 N ATOM 820 CA ARG A 54 16.104 -9.154 -12.977 1.00 45.24 C ATOM 821 C ARG A 54 15.490 -7.992 -13.753 1.00 32.04 C ATOM 822 O ARG A 54 14.436 -8.134 -14.373 1.00 54.53 O ATOM 823 CB ARG A 54 14.999 -10.074 -12.455 1.00 4.53 C ATOM 824 CG ARG A 54 13.884 -9.336 -11.732 1.00 4.14 C ATOM 825 CD ARG A 54 12.950 -10.300 -11.018 1.00 20.31 C ATOM 826 NE ARG A 54 12.370 -11.279 -11.934 1.00 13.24 N ATOM 827 CZ ARG A 54 11.307 -12.020 -11.640 1.00 41.02 C ATOM 828 NH1 ARG A 54 10.712 -11.894 -10.462 1.00 73.23 N ATOM 829 NH2 ARG A 54 10.838 -12.889 -12.526 1.00 53.03 N ATOM 0 H ARG A 54 16.700 -7.719 -11.570 1.00 42.51 H new ATOM 0 HA ARG A 54 16.748 -9.718 -13.651 1.00 45.24 H new ATOM 0 HB2 ARG A 54 14.574 -10.628 -13.292 1.00 4.53 H new ATOM 0 HB3 ARG A 54 15.438 -10.807 -11.777 1.00 4.53 H new ATOM 0 HG2 ARG A 54 14.314 -8.642 -11.010 1.00 4.14 H new ATOM 0 HG3 ARG A 54 13.317 -8.741 -12.447 1.00 4.14 H new ATOM 0 HD2 ARG A 54 13.497 -10.819 -10.231 1.00 20.31 H new ATOM 0 HD3 ARG A 54 12.151 -9.739 -10.534 1.00 20.31 H new ATOM 0 HE ARG A 54 12.805 -11.400 -12.849 1.00 13.24 H new ATOM 0 HH11 ARG A 54 11.070 -11.227 -9.779 1.00 73.23 H new ATOM 0 HH12 ARG A 54 9.896 -12.464 -10.239 1.00 73.23 H new ATOM 0 HH21 ARG A 54 11.293 -12.988 -13.433 1.00 53.03 H new ATOM 0 HH22 ARG A 54 10.022 -13.458 -12.300 1.00 53.03 H new ATOM 843 N THR A 55 16.156 -6.842 -13.712 1.00 54.01 N ATOM 844 CA THR A 55 15.675 -5.655 -14.408 1.00 73.54 C ATOM 845 C THR A 55 14.196 -5.415 -14.128 1.00 12.10 C ATOM 846 O THR A 55 13.329 -5.899 -14.857 1.00 4.44 O ATOM 847 CB THR A 55 15.884 -5.773 -15.930 1.00 25.41 C ATOM 848 OG1 THR A 55 15.126 -6.873 -16.445 1.00 53.02 O ATOM 849 CG2 THR A 55 17.357 -5.968 -16.260 1.00 12.23 C ATOM 0 H THR A 55 17.030 -6.708 -13.204 1.00 54.01 H new ATOM 0 HA THR A 55 16.255 -4.812 -14.033 1.00 73.54 H new ATOM 0 HB THR A 55 15.542 -4.848 -16.394 1.00 25.41 H new ATOM 0 HG1 THR A 55 14.425 -7.116 -15.805 1.00 53.02 H new ATOM 0 HG21 THR A 55 17.480 -6.049 -17.340 1.00 12.23 H new ATOM 0 HG22 THR A 55 17.928 -5.116 -15.892 1.00 12.23 H new ATOM 0 HG23 THR A 55 17.719 -6.880 -15.784 1.00 12.23 H new ATOM 857 N ASP A 56 13.914 -4.665 -13.069 1.00 11.54 N ATOM 858 CA ASP A 56 12.539 -4.358 -12.693 1.00 34.11 C ATOM 859 C ASP A 56 12.390 -2.884 -12.331 1.00 11.42 C ATOM 860 O ASP A 56 13.346 -2.242 -11.898 1.00 24.25 O ATOM 861 CB ASP A 56 12.102 -5.232 -11.516 1.00 2.32 C ATOM 862 CG ASP A 56 11.423 -6.510 -11.965 1.00 33.55 C ATOM 863 OD1 ASP A 56 11.736 -6.991 -13.074 1.00 0.43 O ATOM 864 OD2 ASP A 56 10.577 -7.031 -11.207 1.00 11.22 O ATOM 0 H ASP A 56 14.620 -4.258 -12.455 1.00 11.54 H new ATOM 0 HA ASP A 56 11.899 -4.569 -13.550 1.00 34.11 H new ATOM 0 HB2 ASP A 56 12.973 -5.480 -10.909 1.00 2.32 H new ATOM 0 HB3 ASP A 56 11.421 -4.666 -10.880 1.00 2.32 H new ATOM 869 N GLU A 57 11.184 -2.353 -12.513 1.00 25.43 N ATOM 870 CA GLU A 57 10.912 -0.954 -12.207 1.00 2.13 C ATOM 871 C GLU A 57 9.804 -0.830 -11.165 1.00 21.43 C ATOM 872 O GLU A 57 9.410 -1.817 -10.542 1.00 64.34 O ATOM 873 CB GLU A 57 10.519 -0.198 -13.478 1.00 32.14 C ATOM 874 CG GLU A 57 9.187 -0.639 -14.061 1.00 32.45 C ATOM 875 CD GLU A 57 9.058 -0.312 -15.535 1.00 42.54 C ATOM 876 OE1 GLU A 57 9.758 0.613 -16.000 1.00 73.12 O ATOM 877 OE2 GLU A 57 8.259 -0.979 -16.225 1.00 14.55 O ATOM 0 H GLU A 57 10.381 -2.871 -12.871 1.00 25.43 H new ATOM 0 HA GLU A 57 11.822 -0.515 -11.798 1.00 2.13 H new ATOM 0 HB2 GLU A 57 10.474 0.868 -13.257 1.00 32.14 H new ATOM 0 HB3 GLU A 57 11.298 -0.336 -14.228 1.00 32.14 H new ATOM 0 HG2 GLU A 57 9.071 -1.714 -13.920 1.00 32.45 H new ATOM 0 HG3 GLU A 57 8.378 -0.156 -13.514 1.00 32.45 H new ATOM 884 N ILE A 58 9.307 0.388 -10.980 1.00 74.34 N ATOM 885 CA ILE A 58 8.244 0.640 -10.015 1.00 3.41 C ATOM 886 C ILE A 58 6.930 0.966 -10.716 1.00 70.14 C ATOM 887 O ILE A 58 6.888 1.796 -11.624 1.00 63.21 O ATOM 888 CB ILE A 58 8.608 1.799 -9.068 1.00 23.03 C ATOM 889 CG1 ILE A 58 9.573 2.766 -9.757 1.00 24.13 C ATOM 890 CG2 ILE A 58 9.217 1.260 -7.782 1.00 4.31 C ATOM 891 CD1 ILE A 58 8.958 3.504 -10.925 1.00 62.41 C ATOM 0 H ILE A 58 9.623 1.216 -11.485 1.00 74.34 H new ATOM 0 HA ILE A 58 8.125 -0.273 -9.432 1.00 3.41 H new ATOM 0 HB ILE A 58 7.698 2.343 -8.816 1.00 23.03 H new ATOM 0 HG12 ILE A 58 9.930 3.492 -9.027 1.00 24.13 H new ATOM 0 HG13 ILE A 58 10.443 2.211 -10.106 1.00 24.13 H new ATOM 0 HG21 ILE A 58 9.469 2.091 -7.123 1.00 4.31 H new ATOM 0 HG22 ILE A 58 8.499 0.607 -7.285 1.00 4.31 H new ATOM 0 HG23 ILE A 58 10.120 0.695 -8.016 1.00 4.31 H new ATOM 0 HD11 ILE A 58 9.699 4.171 -11.365 1.00 62.41 H new ATOM 0 HD12 ILE A 58 8.626 2.786 -11.675 1.00 62.41 H new ATOM 0 HD13 ILE A 58 8.105 4.087 -10.578 1.00 62.41 H new ATOM 903 N MET A 59 5.858 0.308 -10.288 1.00 20.43 N ATOM 904 CA MET A 59 4.541 0.529 -10.873 1.00 12.51 C ATOM 905 C MET A 59 3.941 1.842 -10.379 1.00 52.25 C ATOM 906 O MET A 59 4.395 2.429 -9.397 1.00 53.52 O ATOM 907 CB MET A 59 3.605 -0.632 -10.532 1.00 65.31 C ATOM 908 CG MET A 59 3.356 -1.574 -11.699 1.00 20.01 C ATOM 909 SD MET A 59 1.804 -2.478 -11.542 1.00 70.22 S ATOM 910 CE MET A 59 2.057 -3.794 -12.731 1.00 23.14 C ATOM 0 H MET A 59 5.876 -0.383 -9.538 1.00 20.43 H new ATOM 0 HA MET A 59 4.657 0.586 -11.955 1.00 12.51 H new ATOM 0 HB2 MET A 59 4.029 -1.198 -9.703 1.00 65.31 H new ATOM 0 HB3 MET A 59 2.651 -0.231 -10.190 1.00 65.31 H new ATOM 0 HG2 MET A 59 3.347 -1.002 -12.627 1.00 20.01 H new ATOM 0 HG3 MET A 59 4.180 -2.284 -11.770 1.00 20.01 H new ATOM 0 HE1 MET A 59 1.180 -4.441 -12.750 1.00 23.14 H new ATOM 0 HE2 MET A 59 2.213 -3.365 -13.721 1.00 23.14 H new ATOM 0 HE3 MET A 59 2.932 -4.378 -12.446 1.00 23.14 H new ATOM 920 N PRO A 60 2.896 2.315 -11.076 1.00 3.25 N ATOM 921 CA PRO A 60 2.212 3.564 -10.726 1.00 21.42 C ATOM 922 C PRO A 60 1.420 3.447 -9.428 1.00 73.53 C ATOM 923 O PRO A 60 1.082 4.452 -8.805 1.00 32.14 O ATOM 924 CB PRO A 60 1.269 3.795 -11.909 1.00 61.32 C ATOM 925 CG PRO A 60 1.029 2.437 -12.473 1.00 33.21 C ATOM 926 CD PRO A 60 2.303 1.667 -12.257 1.00 54.52 C ATOM 0 HA PRO A 60 2.914 4.380 -10.557 1.00 21.42 H new ATOM 0 HB2 PRO A 60 0.337 4.260 -11.588 1.00 61.32 H new ATOM 0 HB3 PRO A 60 1.717 4.458 -12.649 1.00 61.32 H new ATOM 0 HG2 PRO A 60 0.190 1.951 -11.975 1.00 33.21 H new ATOM 0 HG3 PRO A 60 0.782 2.493 -13.533 1.00 33.21 H new ATOM 0 HD2 PRO A 60 2.108 0.609 -12.080 1.00 54.52 H new ATOM 0 HD3 PRO A 60 2.962 1.729 -13.123 1.00 54.52 H new ATOM 934 N GLU A 61 1.127 2.213 -9.028 1.00 3.01 N ATOM 935 CA GLU A 61 0.374 1.966 -7.804 1.00 1.30 C ATOM 936 C GLU A 61 1.303 1.915 -6.594 1.00 50.14 C ATOM 937 O GLU A 61 0.862 2.057 -5.454 1.00 24.25 O ATOM 938 CB GLU A 61 -0.408 0.656 -7.916 1.00 15.23 C ATOM 939 CG GLU A 61 0.449 -0.583 -7.723 1.00 20.31 C ATOM 940 CD GLU A 61 -0.260 -1.855 -8.146 1.00 52.14 C ATOM 941 OE1 GLU A 61 -1.497 -1.817 -8.315 1.00 22.44 O ATOM 942 OE2 GLU A 61 0.423 -2.888 -8.310 1.00 14.11 O ATOM 0 H GLU A 61 1.399 1.370 -9.533 1.00 3.01 H new ATOM 0 HA GLU A 61 -0.327 2.789 -7.667 1.00 1.30 H new ATOM 0 HB2 GLU A 61 -1.206 0.655 -7.174 1.00 15.23 H new ATOM 0 HB3 GLU A 61 -0.884 0.609 -8.896 1.00 15.23 H new ATOM 0 HG2 GLU A 61 1.369 -0.477 -8.297 1.00 20.31 H new ATOM 0 HG3 GLU A 61 0.735 -0.663 -6.674 1.00 20.31 H new ATOM 949 N ASP A 62 2.590 1.711 -6.853 1.00 10.03 N ATOM 950 CA ASP A 62 3.582 1.641 -5.786 1.00 41.32 C ATOM 951 C ASP A 62 4.586 2.784 -5.902 1.00 51.13 C ATOM 952 O ASP A 62 4.350 3.763 -6.611 1.00 32.03 O ATOM 953 CB ASP A 62 4.313 0.298 -5.827 1.00 53.22 C ATOM 954 CG ASP A 62 3.426 -0.828 -6.321 1.00 63.14 C ATOM 955 OD1 ASP A 62 2.602 -1.327 -5.527 1.00 13.11 O ATOM 956 OD2 ASP A 62 3.557 -1.210 -7.503 1.00 34.20 O ATOM 0 H ASP A 62 2.971 1.591 -7.792 1.00 10.03 H new ATOM 0 HA ASP A 62 3.061 1.733 -4.833 1.00 41.32 H new ATOM 0 HB2 ASP A 62 5.185 0.382 -6.476 1.00 53.22 H new ATOM 0 HB3 ASP A 62 4.680 0.057 -4.829 1.00 53.22 H new ATOM 961 N LYS A 63 5.707 2.654 -5.201 1.00 31.31 N ATOM 962 CA LYS A 63 6.748 3.674 -5.224 1.00 51.44 C ATOM 963 C LYS A 63 8.126 3.050 -5.033 1.00 44.11 C ATOM 964 O LYS A 63 8.256 1.832 -4.907 1.00 62.13 O ATOM 965 CB LYS A 63 6.493 4.717 -4.134 1.00 12.41 C ATOM 966 CG LYS A 63 5.392 4.326 -3.164 1.00 12.14 C ATOM 967 CD LYS A 63 5.327 5.277 -1.980 1.00 42.24 C ATOM 968 CE LYS A 63 3.954 5.920 -1.856 1.00 63.21 C ATOM 969 NZ LYS A 63 3.851 6.776 -0.642 1.00 54.43 N ATOM 0 H LYS A 63 5.918 1.851 -4.609 1.00 31.31 H new ATOM 0 HA LYS A 63 6.722 4.162 -6.198 1.00 51.44 H new ATOM 0 HB2 LYS A 63 7.415 4.881 -3.577 1.00 12.41 H new ATOM 0 HB3 LYS A 63 6.232 5.665 -4.604 1.00 12.41 H new ATOM 0 HG2 LYS A 63 4.433 4.323 -3.683 1.00 12.14 H new ATOM 0 HG3 LYS A 63 5.564 3.311 -2.807 1.00 12.14 H new ATOM 0 HD2 LYS A 63 5.560 4.735 -1.063 1.00 42.24 H new ATOM 0 HD3 LYS A 63 6.084 6.053 -2.093 1.00 42.24 H new ATOM 0 HE2 LYS A 63 3.753 6.521 -2.743 1.00 63.21 H new ATOM 0 HE3 LYS A 63 3.191 5.143 -1.818 1.00 63.21 H new ATOM 0 HZ1 LYS A 63 2.901 7.196 -0.593 1.00 54.43 H new ATOM 0 HZ2 LYS A 63 4.018 6.197 0.206 1.00 54.43 H new ATOM 0 HZ3 LYS A 63 4.562 7.533 -0.690 1.00 54.43 H new ATOM 983 N THR A 64 9.155 3.893 -5.011 1.00 33.55 N ATOM 984 CA THR A 64 10.523 3.423 -4.834 1.00 42.51 C ATOM 985 C THR A 64 11.150 4.016 -3.577 1.00 51.33 C ATOM 986 O THR A 64 11.176 5.234 -3.400 1.00 2.33 O ATOM 987 CB THR A 64 11.400 3.780 -6.049 1.00 5.51 C ATOM 988 OG1 THR A 64 11.572 2.630 -6.884 1.00 53.24 O ATOM 989 CG2 THR A 64 12.760 4.296 -5.602 1.00 22.33 C ATOM 0 H THR A 64 9.066 4.904 -5.114 1.00 33.55 H new ATOM 0 HA THR A 64 10.475 2.339 -4.735 1.00 42.51 H new ATOM 0 HB THR A 64 10.898 4.566 -6.613 1.00 5.51 H new ATOM 0 HG1 THR A 64 12.129 2.866 -7.655 1.00 53.24 H new ATOM 0 HG21 THR A 64 13.362 4.542 -6.477 1.00 22.33 H new ATOM 0 HG22 THR A 64 12.628 5.189 -4.991 1.00 22.33 H new ATOM 0 HG23 THR A 64 13.266 3.528 -5.018 1.00 22.33 H new ATOM 997 N VAL A 65 11.655 3.148 -2.707 1.00 71.40 N ATOM 998 CA VAL A 65 12.284 3.586 -1.467 1.00 33.23 C ATOM 999 C VAL A 65 13.334 4.659 -1.732 1.00 71.31 C ATOM 1000 O VAL A 65 13.376 5.683 -1.052 1.00 20.22 O ATOM 1001 CB VAL A 65 12.945 2.408 -0.726 1.00 14.21 C ATOM 1002 CG1 VAL A 65 13.146 2.747 0.743 1.00 23.12 C ATOM 1003 CG2 VAL A 65 12.110 1.146 -0.881 1.00 12.02 C ATOM 0 H VAL A 65 11.641 2.137 -2.838 1.00 71.40 H new ATOM 0 HA VAL A 65 11.494 4.002 -0.841 1.00 33.23 H new ATOM 0 HB VAL A 65 13.924 2.225 -1.169 1.00 14.21 H new ATOM 0 HG11 VAL A 65 13.614 1.903 1.250 1.00 23.12 H new ATOM 0 HG12 VAL A 65 13.788 3.624 0.830 1.00 23.12 H new ATOM 0 HG13 VAL A 65 12.181 2.957 1.203 1.00 23.12 H new ATOM 0 HG21 VAL A 65 12.591 0.324 -0.351 1.00 12.02 H new ATOM 0 HG22 VAL A 65 11.117 1.314 -0.465 1.00 12.02 H new ATOM 0 HG23 VAL A 65 12.023 0.895 -1.938 1.00 12.02 H new ATOM 1013 N GLY A 66 14.181 4.416 -2.728 1.00 4.24 N ATOM 1014 CA GLY A 66 15.221 5.371 -3.066 1.00 74.12 C ATOM 1015 C GLY A 66 16.392 4.724 -3.778 1.00 4.41 C ATOM 1016 O GLY A 66 16.302 3.581 -4.225 1.00 61.14 O ATOM 0 H GLY A 66 14.166 3.576 -3.306 1.00 4.24 H new ATOM 0 HA2 GLY A 66 14.801 6.152 -3.700 1.00 74.12 H new ATOM 0 HA3 GLY A 66 15.575 5.855 -2.156 1.00 74.12 H new ATOM 1020 N PHE A 67 17.495 5.458 -3.885 1.00 25.32 N ATOM 1021 CA PHE A 67 18.690 4.950 -4.550 1.00 33.31 C ATOM 1022 C PHE A 67 19.911 5.074 -3.644 1.00 43.31 C ATOM 1023 O PHE A 67 20.094 6.084 -2.964 1.00 51.34 O ATOM 1024 CB PHE A 67 18.931 5.706 -5.858 1.00 25.01 C ATOM 1025 CG PHE A 67 17.695 5.865 -6.696 1.00 21.12 C ATOM 1026 CD1 PHE A 67 16.862 4.784 -6.937 1.00 40.40 C ATOM 1027 CD2 PHE A 67 17.366 7.095 -7.243 1.00 22.22 C ATOM 1028 CE1 PHE A 67 15.723 4.927 -7.707 1.00 43.24 C ATOM 1029 CE2 PHE A 67 16.229 7.244 -8.013 1.00 73.34 C ATOM 1030 CZ PHE A 67 15.407 6.158 -8.247 1.00 51.41 C ATOM 0 H PHE A 67 17.586 6.406 -3.520 1.00 25.32 H new ATOM 0 HA PHE A 67 18.531 3.895 -4.773 1.00 33.31 H new ATOM 0 HB2 PHE A 67 19.334 6.692 -5.629 1.00 25.01 H new ATOM 0 HB3 PHE A 67 19.688 5.179 -6.438 1.00 25.01 H new ATOM 0 HD1 PHE A 67 17.106 3.819 -6.518 1.00 40.40 H new ATOM 0 HD2 PHE A 67 18.006 7.947 -7.065 1.00 22.22 H new ATOM 0 HE1 PHE A 67 15.081 4.077 -7.886 1.00 43.24 H new ATOM 0 HE2 PHE A 67 15.983 8.208 -8.432 1.00 73.34 H new ATOM 0 HZ PHE A 67 14.519 6.272 -8.851 1.00 51.41 H new ATOM 1040 N VAL A 68 20.745 4.039 -3.640 1.00 3.23 N ATOM 1041 CA VAL A 68 21.950 4.032 -2.819 1.00 20.45 C ATOM 1042 C VAL A 68 23.204 3.951 -3.682 1.00 54.55 C ATOM 1043 O VAL A 68 23.297 3.119 -4.585 1.00 13.12 O ATOM 1044 CB VAL A 68 21.947 2.852 -1.828 1.00 15.33 C ATOM 1045 CG1 VAL A 68 23.271 2.775 -1.085 1.00 5.04 C ATOM 1046 CG2 VAL A 68 20.786 2.980 -0.853 1.00 33.51 C ATOM 0 H VAL A 68 20.608 3.195 -4.196 1.00 3.23 H new ATOM 0 HA VAL A 68 21.957 4.968 -2.260 1.00 20.45 H new ATOM 0 HB VAL A 68 21.820 1.927 -2.391 1.00 15.33 H new ATOM 0 HG11 VAL A 68 23.250 1.936 -0.390 1.00 5.04 H new ATOM 0 HG12 VAL A 68 24.082 2.634 -1.800 1.00 5.04 H new ATOM 0 HG13 VAL A 68 23.432 3.700 -0.532 1.00 5.04 H new ATOM 0 HG21 VAL A 68 20.798 2.139 -0.160 1.00 33.51 H new ATOM 0 HG22 VAL A 68 20.881 3.911 -0.295 1.00 33.51 H new ATOM 0 HG23 VAL A 68 19.846 2.982 -1.405 1.00 33.51 H new ATOM 1056 N VAL A 69 24.167 4.823 -3.400 1.00 21.40 N ATOM 1057 CA VAL A 69 25.417 4.850 -4.150 1.00 61.11 C ATOM 1058 C VAL A 69 26.590 4.416 -3.279 1.00 24.32 C ATOM 1059 O VAL A 69 26.877 5.032 -2.253 1.00 4.43 O ATOM 1060 CB VAL A 69 25.703 6.254 -4.714 1.00 14.40 C ATOM 1061 CG1 VAL A 69 27.029 6.272 -5.458 1.00 61.43 C ATOM 1062 CG2 VAL A 69 24.567 6.705 -5.621 1.00 3.14 C ATOM 0 H VAL A 69 24.105 5.520 -2.658 1.00 21.40 H new ATOM 0 HA VAL A 69 25.304 4.150 -4.978 1.00 61.11 H new ATOM 0 HB VAL A 69 25.773 6.953 -3.881 1.00 14.40 H new ATOM 0 HG11 VAL A 69 27.213 7.273 -5.849 1.00 61.43 H new ATOM 0 HG12 VAL A 69 27.833 5.995 -4.776 1.00 61.43 H new ATOM 0 HG13 VAL A 69 26.993 5.561 -6.283 1.00 61.43 H new ATOM 0 HG21 VAL A 69 24.785 7.699 -6.011 1.00 3.14 H new ATOM 0 HG22 VAL A 69 24.463 6.005 -6.450 1.00 3.14 H new ATOM 0 HG23 VAL A 69 23.637 6.734 -5.053 1.00 3.14 H new ATOM 1072 N VAL A 70 27.267 3.350 -3.695 1.00 32.31 N ATOM 1073 CA VAL A 70 28.411 2.833 -2.954 1.00 10.04 C ATOM 1074 C VAL A 70 29.644 2.733 -3.845 1.00 74.21 C ATOM 1075 O VAL A 70 29.656 1.985 -4.822 1.00 4.12 O ATOM 1076 CB VAL A 70 28.111 1.447 -2.353 1.00 61.32 C ATOM 1077 CG1 VAL A 70 29.193 1.049 -1.361 1.00 23.10 C ATOM 1078 CG2 VAL A 70 26.741 1.438 -1.692 1.00 70.23 C ATOM 0 H VAL A 70 27.042 2.828 -4.542 1.00 32.31 H new ATOM 0 HA VAL A 70 28.608 3.536 -2.145 1.00 10.04 H new ATOM 0 HB VAL A 70 28.105 0.714 -3.160 1.00 61.32 H new ATOM 0 HG11 VAL A 70 28.964 0.067 -0.947 1.00 23.10 H new ATOM 0 HG12 VAL A 70 30.157 1.013 -1.869 1.00 23.10 H new ATOM 0 HG13 VAL A 70 29.235 1.782 -0.555 1.00 23.10 H new ATOM 0 HG21 VAL A 70 26.546 0.451 -1.273 1.00 70.23 H new ATOM 0 HG22 VAL A 70 26.716 2.182 -0.896 1.00 70.23 H new ATOM 0 HG23 VAL A 70 25.978 1.675 -2.433 1.00 70.23 H new ATOM 1088 N ASN A 71 30.679 3.492 -3.501 1.00 22.40 N ATOM 1089 CA ASN A 71 31.918 3.488 -4.271 1.00 1.45 C ATOM 1090 C ASN A 71 33.091 3.029 -3.411 1.00 25.25 C ATOM 1091 O ASN A 71 33.523 3.738 -2.502 1.00 22.51 O ATOM 1092 CB ASN A 71 32.198 4.884 -4.831 1.00 41.22 C ATOM 1093 CG ASN A 71 31.004 5.463 -5.565 1.00 15.04 C ATOM 1094 OD1 ASN A 71 30.623 4.981 -6.632 1.00 0.13 O ATOM 1095 ND2 ASN A 71 30.406 6.503 -4.994 1.00 30.51 N ATOM 0 H ASN A 71 30.685 4.117 -2.695 1.00 22.40 H new ATOM 0 HA ASN A 71 31.801 2.788 -5.098 1.00 1.45 H new ATOM 0 HB2 ASN A 71 32.477 5.550 -4.015 1.00 41.22 H new ATOM 0 HB3 ASN A 71 33.050 4.836 -5.509 1.00 41.22 H new ATOM 0 HD21 ASN A 71 29.597 6.935 -5.441 1.00 30.51 H new ATOM 0 HD22 ASN A 71 30.756 6.870 -4.109 1.00 30.51 H new ATOM 1102 N ALA A 72 33.603 1.838 -3.705 1.00 10.02 N ATOM 1103 CA ALA A 72 34.728 1.285 -2.961 1.00 32.21 C ATOM 1104 C ALA A 72 36.014 2.047 -3.262 1.00 55.24 C ATOM 1105 O ALA A 72 36.865 2.218 -2.389 1.00 74.32 O ATOM 1106 CB ALA A 72 34.899 -0.192 -3.285 1.00 3.05 C ATOM 0 H ALA A 72 33.256 1.238 -4.453 1.00 10.02 H new ATOM 0 HA ALA A 72 34.515 1.391 -1.897 1.00 32.21 H new ATOM 0 HB1 ALA A 72 35.743 -0.593 -2.723 1.00 3.05 H new ATOM 0 HB2 ALA A 72 33.992 -0.732 -3.012 1.00 3.05 H new ATOM 0 HB3 ALA A 72 35.085 -0.311 -4.352 1.00 3.05 H new ATOM 1112 N ASP A 73 36.149 2.503 -4.503 1.00 35.12 N ATOM 1113 CA ASP A 73 37.331 3.248 -4.919 1.00 60.23 C ATOM 1114 C ASP A 73 37.516 4.496 -4.063 1.00 4.43 C ATOM 1115 O ASP A 73 38.639 4.860 -3.710 1.00 74.02 O ATOM 1116 CB ASP A 73 37.221 3.638 -6.394 1.00 61.32 C ATOM 1117 CG ASP A 73 38.053 4.859 -6.734 1.00 21.33 C ATOM 1118 OD1 ASP A 73 39.272 4.838 -6.466 1.00 5.40 O ATOM 1119 OD2 ASP A 73 37.485 5.835 -7.267 1.00 13.05 O ATOM 0 H ASP A 73 35.454 2.370 -5.238 1.00 35.12 H new ATOM 0 HA ASP A 73 38.201 2.605 -4.785 1.00 60.23 H new ATOM 0 HB2 ASP A 73 37.541 2.800 -7.013 1.00 61.32 H new ATOM 0 HB3 ASP A 73 36.177 3.834 -6.638 1.00 61.32 H new ATOM 1124 N LYS A 74 36.408 5.150 -3.732 1.00 1.44 N ATOM 1125 CA LYS A 74 36.447 6.359 -2.916 1.00 73.53 C ATOM 1126 C LYS A 74 36.216 6.029 -1.445 1.00 1.52 C ATOM 1127 O LYS A 74 36.437 6.866 -0.569 1.00 23.23 O ATOM 1128 CB LYS A 74 35.392 7.357 -3.398 1.00 1.42 C ATOM 1129 CG LYS A 74 35.760 8.051 -4.698 1.00 4.43 C ATOM 1130 CD LYS A 74 36.980 8.942 -4.529 1.00 21.45 C ATOM 1131 CE LYS A 74 37.083 9.965 -5.649 1.00 62.33 C ATOM 1132 NZ LYS A 74 37.866 11.162 -5.237 1.00 1.44 N ATOM 0 H LYS A 74 35.471 4.863 -4.016 1.00 1.44 H new ATOM 0 HA LYS A 74 37.436 6.806 -3.019 1.00 73.53 H new ATOM 0 HB2 LYS A 74 34.444 6.835 -3.530 1.00 1.42 H new ATOM 0 HB3 LYS A 74 35.236 8.110 -2.625 1.00 1.42 H new ATOM 0 HG2 LYS A 74 35.958 7.304 -5.467 1.00 4.43 H new ATOM 0 HG3 LYS A 74 34.917 8.649 -5.044 1.00 4.43 H new ATOM 0 HD2 LYS A 74 36.926 9.456 -3.569 1.00 21.45 H new ATOM 0 HD3 LYS A 74 37.881 8.328 -4.512 1.00 21.45 H new ATOM 0 HE2 LYS A 74 37.553 9.505 -6.518 1.00 62.33 H new ATOM 0 HE3 LYS A 74 36.082 10.273 -5.953 1.00 62.33 H new ATOM 0 HZ1 LYS A 74 37.913 11.835 -6.028 1.00 1.44 H new ATOM 0 HZ2 LYS A 74 37.404 11.616 -4.423 1.00 1.44 H new ATOM 0 HZ3 LYS A 74 38.829 10.872 -4.971 1.00 1.44 H new ATOM 1146 N LYS A 75 35.772 4.806 -1.180 1.00 34.35 N ATOM 1147 CA LYS A 75 35.514 4.364 0.186 1.00 55.21 C ATOM 1148 C LYS A 75 34.385 5.174 0.815 1.00 12.35 C ATOM 1149 O LYS A 75 34.418 5.483 2.007 1.00 25.15 O ATOM 1150 CB LYS A 75 36.781 4.492 1.033 1.00 24.13 C ATOM 1151 CG LYS A 75 38.010 3.875 0.387 1.00 52.31 C ATOM 1152 CD LYS A 75 39.171 3.792 1.363 1.00 43.40 C ATOM 1153 CE LYS A 75 40.448 3.336 0.673 1.00 74.30 C ATOM 1154 NZ LYS A 75 41.175 4.473 0.044 1.00 63.50 N ATOM 0 H LYS A 75 35.583 4.102 -1.893 1.00 34.35 H new ATOM 0 HA LYS A 75 35.212 3.317 0.152 1.00 55.21 H new ATOM 0 HB2 LYS A 75 36.974 5.547 1.226 1.00 24.13 H new ATOM 0 HB3 LYS A 75 36.612 4.017 1.999 1.00 24.13 H new ATOM 0 HG2 LYS A 75 37.768 2.877 0.022 1.00 52.31 H new ATOM 0 HG3 LYS A 75 38.303 4.468 -0.479 1.00 52.31 H new ATOM 0 HD2 LYS A 75 39.332 4.767 1.822 1.00 43.40 H new ATOM 0 HD3 LYS A 75 38.923 3.099 2.167 1.00 43.40 H new ATOM 0 HE2 LYS A 75 41.098 2.846 1.398 1.00 74.30 H new ATOM 0 HE3 LYS A 75 40.205 2.595 -0.088 1.00 74.30 H new ATOM 0 HZ1 LYS A 75 42.039 4.121 -0.415 1.00 63.50 H new ATOM 0 HZ2 LYS A 75 40.565 4.925 -0.666 1.00 63.50 H new ATOM 0 HZ3 LYS A 75 41.430 5.168 0.774 1.00 63.50 H new ATOM 1168 N LEU A 76 33.386 5.515 0.009 1.00 72.43 N ATOM 1169 CA LEU A 76 32.245 6.288 0.487 1.00 22.25 C ATOM 1170 C LEU A 76 30.945 5.775 -0.123 1.00 51.23 C ATOM 1171 O LEU A 76 30.922 5.320 -1.267 1.00 12.45 O ATOM 1172 CB LEU A 76 32.431 7.769 0.152 1.00 73.43 C ATOM 1173 CG LEU A 76 33.204 8.074 -1.132 1.00 13.13 C ATOM 1174 CD1 LEU A 76 32.400 7.653 -2.352 1.00 54.41 C ATOM 1175 CD2 LEU A 76 33.553 9.554 -1.205 1.00 33.52 C ATOM 0 H LEU A 76 33.343 5.268 -0.980 1.00 72.43 H new ATOM 0 HA LEU A 76 32.186 6.172 1.569 1.00 22.25 H new ATOM 0 HB2 LEU A 76 31.446 8.231 0.078 1.00 73.43 H new ATOM 0 HB3 LEU A 76 32.946 8.248 0.985 1.00 73.43 H new ATOM 0 HG LEU A 76 34.132 7.502 -1.120 1.00 13.13 H new ATOM 0 HD11 LEU A 76 32.966 7.878 -3.256 1.00 54.41 H new ATOM 0 HD12 LEU A 76 32.201 6.582 -2.305 1.00 54.41 H new ATOM 0 HD13 LEU A 76 31.455 8.197 -2.371 1.00 54.41 H new ATOM 0 HD21 LEU A 76 34.103 9.753 -2.125 1.00 33.52 H new ATOM 0 HD22 LEU A 76 32.637 10.145 -1.195 1.00 33.52 H new ATOM 0 HD23 LEU A 76 34.169 9.825 -0.348 1.00 33.52 H new ATOM 1187 N MET A 77 29.864 5.854 0.646 1.00 2.12 N ATOM 1188 CA MET A 77 28.559 5.401 0.179 1.00 1.11 C ATOM 1189 C MET A 77 27.445 6.274 0.748 1.00 40.12 C ATOM 1190 O MET A 77 27.403 6.539 1.949 1.00 20.53 O ATOM 1191 CB MET A 77 28.331 3.941 0.574 1.00 31.12 C ATOM 1192 CG MET A 77 28.198 3.731 2.074 1.00 61.32 C ATOM 1193 SD MET A 77 28.236 1.989 2.537 1.00 21.41 S ATOM 1194 CE MET A 77 29.926 1.564 2.122 1.00 51.55 C ATOM 0 H MET A 77 29.866 6.227 1.595 1.00 2.12 H new ATOM 0 HA MET A 77 28.541 5.483 -0.908 1.00 1.11 H new ATOM 0 HB2 MET A 77 27.429 3.577 0.083 1.00 31.12 H new ATOM 0 HB3 MET A 77 29.161 3.339 0.203 1.00 31.12 H new ATOM 0 HG2 MET A 77 29.006 4.256 2.584 1.00 61.32 H new ATOM 0 HG3 MET A 77 27.263 4.174 2.418 1.00 61.32 H new ATOM 0 HE1 MET A 77 29.951 0.573 1.669 1.00 51.55 H new ATOM 0 HE2 MET A 77 30.323 2.295 1.418 1.00 51.55 H new ATOM 0 HE3 MET A 77 30.534 1.565 3.027 1.00 51.55 H new ATOM 1204 N SER A 78 26.545 6.719 -0.123 1.00 33.10 N ATOM 1205 CA SER A 78 25.433 7.566 0.293 1.00 74.45 C ATOM 1206 C SER A 78 24.096 6.906 -0.033 1.00 62.40 C ATOM 1207 O SER A 78 23.918 6.335 -1.109 1.00 40.55 O ATOM 1208 CB SER A 78 25.520 8.931 -0.392 1.00 1.00 C ATOM 1209 OG SER A 78 24.288 9.275 -1.002 1.00 44.52 O ATOM 0 H SER A 78 26.564 6.507 -1.121 1.00 33.10 H new ATOM 0 HA SER A 78 25.498 7.704 1.372 1.00 74.45 H new ATOM 0 HB2 SER A 78 25.792 9.692 0.340 1.00 1.00 H new ATOM 0 HB3 SER A 78 26.309 8.915 -1.143 1.00 1.00 H new ATOM 0 HG SER A 78 24.369 10.152 -1.431 1.00 44.52 H new ATOM 1215 N VAL A 79 23.159 6.987 0.906 1.00 53.31 N ATOM 1216 CA VAL A 79 21.837 6.399 0.720 1.00 4.51 C ATOM 1217 C VAL A 79 20.755 7.473 0.710 1.00 71.02 C ATOM 1218 O VAL A 79 20.571 8.193 1.691 1.00 33.22 O ATOM 1219 CB VAL A 79 21.518 5.375 1.825 1.00 25.01 C ATOM 1220 CG1 VAL A 79 20.117 4.812 1.643 1.00 1.13 C ATOM 1221 CG2 VAL A 79 22.553 4.260 1.832 1.00 61.22 C ATOM 0 H VAL A 79 23.290 7.454 1.803 1.00 53.31 H new ATOM 0 HA VAL A 79 21.849 5.890 -0.244 1.00 4.51 H new ATOM 0 HB VAL A 79 21.557 5.882 2.789 1.00 25.01 H new ATOM 0 HG11 VAL A 79 19.909 4.090 2.433 1.00 1.13 H new ATOM 0 HG12 VAL A 79 19.390 5.623 1.692 1.00 1.13 H new ATOM 0 HG13 VAL A 79 20.046 4.319 0.673 1.00 1.13 H new ATOM 0 HG21 VAL A 79 22.312 3.545 2.619 1.00 61.22 H new ATOM 0 HG22 VAL A 79 22.548 3.753 0.867 1.00 61.22 H new ATOM 0 HG23 VAL A 79 23.541 4.682 2.015 1.00 61.22 H new ATOM 1231 N SER A 80 20.041 7.574 -0.407 1.00 15.55 N ATOM 1232 CA SER A 80 18.977 8.563 -0.546 1.00 65.35 C ATOM 1233 C SER A 80 17.621 7.883 -0.704 1.00 71.32 C ATOM 1234 O SER A 80 17.410 7.100 -1.631 1.00 53.41 O ATOM 1235 CB SER A 80 19.249 9.469 -1.749 1.00 64.40 C ATOM 1236 OG SER A 80 18.466 10.648 -1.687 1.00 31.23 O ATOM 0 H SER A 80 20.179 6.984 -1.228 1.00 15.55 H new ATOM 0 HA SER A 80 18.957 9.169 0.360 1.00 65.35 H new ATOM 0 HB2 SER A 80 20.306 9.732 -1.778 1.00 64.40 H new ATOM 0 HB3 SER A 80 19.029 8.931 -2.671 1.00 64.40 H new ATOM 0 HG SER A 80 18.659 11.210 -2.466 1.00 31.23 H new ATOM 1242 N PHE A 81 16.704 8.187 0.208 1.00 20.24 N ATOM 1243 CA PHE A 81 15.367 7.605 0.173 1.00 63.04 C ATOM 1244 C PHE A 81 14.301 8.680 0.363 1.00 20.21 C ATOM 1245 O PHE A 81 14.502 9.644 1.101 1.00 54.40 O ATOM 1246 CB PHE A 81 15.226 6.533 1.255 1.00 73.32 C ATOM 1247 CG PHE A 81 15.988 6.844 2.511 1.00 41.31 C ATOM 1248 CD1 PHE A 81 15.610 7.902 3.322 1.00 31.33 C ATOM 1249 CD2 PHE A 81 17.083 6.080 2.880 1.00 64.02 C ATOM 1250 CE1 PHE A 81 16.309 8.191 4.479 1.00 20.01 C ATOM 1251 CE2 PHE A 81 17.786 6.364 4.036 1.00 40.25 C ATOM 1252 CZ PHE A 81 17.399 7.422 4.835 1.00 22.35 C ATOM 0 H PHE A 81 16.862 8.833 0.981 1.00 20.24 H new ATOM 0 HA PHE A 81 15.223 7.145 -0.805 1.00 63.04 H new ATOM 0 HB2 PHE A 81 14.171 6.413 1.500 1.00 73.32 H new ATOM 0 HB3 PHE A 81 15.572 5.579 0.857 1.00 73.32 H new ATOM 0 HD1 PHE A 81 14.759 8.508 3.047 1.00 31.33 H new ATOM 0 HD2 PHE A 81 17.391 5.253 2.257 1.00 64.02 H new ATOM 0 HE1 PHE A 81 16.003 9.017 5.104 1.00 20.01 H new ATOM 0 HE2 PHE A 81 18.637 5.759 4.314 1.00 40.25 H new ATOM 0 HZ PHE A 81 17.948 7.647 5.737 1.00 22.35 H new ATOM 1262 N SER A 82 13.167 8.506 -0.308 1.00 63.44 N ATOM 1263 CA SER A 82 12.070 9.462 -0.217 1.00 43.04 C ATOM 1264 C SER A 82 10.829 8.809 0.384 1.00 41.44 C ATOM 1265 O SER A 82 10.623 7.603 0.251 1.00 31.14 O ATOM 1266 CB SER A 82 11.744 10.029 -1.600 1.00 75.44 C ATOM 1267 OG SER A 82 11.419 8.993 -2.512 1.00 41.31 O ATOM 0 H SER A 82 12.984 7.711 -0.921 1.00 63.44 H new ATOM 0 HA SER A 82 12.383 10.276 0.437 1.00 43.04 H new ATOM 0 HB2 SER A 82 10.909 10.726 -1.523 1.00 75.44 H new ATOM 0 HB3 SER A 82 12.597 10.594 -1.975 1.00 75.44 H new ATOM 0 HG SER A 82 11.213 9.381 -3.388 1.00 41.31 H new ATOM 1273 N ASP A 83 10.006 9.616 1.044 1.00 34.11 N ATOM 1274 CA ASP A 83 8.784 9.119 1.665 1.00 35.33 C ATOM 1275 C ASP A 83 8.864 7.613 1.895 1.00 64.21 C ATOM 1276 O ASP A 83 8.309 6.827 1.126 1.00 11.33 O ATOM 1277 CB ASP A 83 7.572 9.450 0.793 1.00 35.20 C ATOM 1278 CG ASP A 83 6.293 9.568 1.599 1.00 0.01 C ATOM 1279 OD1 ASP A 83 6.258 9.049 2.734 1.00 12.23 O ATOM 1280 OD2 ASP A 83 5.327 10.179 1.094 1.00 23.35 O ATOM 0 H ASP A 83 10.163 10.617 1.163 1.00 34.11 H new ATOM 0 HA ASP A 83 8.672 9.610 2.631 1.00 35.33 H new ATOM 0 HB2 ASP A 83 7.753 10.386 0.265 1.00 35.20 H new ATOM 0 HB3 ASP A 83 7.451 8.675 0.036 1.00 35.20 H new ATOM 1285 N ILE A 84 9.560 7.218 2.956 1.00 62.33 N ATOM 1286 CA ILE A 84 9.713 5.806 3.286 1.00 45.33 C ATOM 1287 C ILE A 84 9.121 5.495 4.656 1.00 24.30 C ATOM 1288 O ILE A 84 8.706 6.397 5.384 1.00 64.30 O ATOM 1289 CB ILE A 84 11.194 5.382 3.270 1.00 11.01 C ATOM 1290 CG1 ILE A 84 11.973 6.130 4.354 1.00 50.44 C ATOM 1291 CG2 ILE A 84 11.804 5.637 1.900 1.00 54.32 C ATOM 1292 CD1 ILE A 84 12.808 5.225 5.232 1.00 41.13 C ATOM 0 H ILE A 84 10.027 7.855 3.601 1.00 62.33 H new ATOM 0 HA ILE A 84 9.174 5.243 2.524 1.00 45.33 H new ATOM 0 HB ILE A 84 11.253 4.314 3.478 1.00 11.01 H new ATOM 0 HG12 ILE A 84 12.624 6.865 3.880 1.00 50.44 H new ATOM 0 HG13 ILE A 84 11.271 6.682 4.979 1.00 50.44 H new ATOM 0 HG21 ILE A 84 12.851 5.332 1.905 1.00 54.32 H new ATOM 0 HG22 ILE A 84 11.263 5.063 1.148 1.00 54.32 H new ATOM 0 HG23 ILE A 84 11.737 6.699 1.664 1.00 54.32 H new ATOM 0 HD11 ILE A 84 13.332 5.823 5.977 1.00 41.13 H new ATOM 0 HD12 ILE A 84 12.160 4.506 5.734 1.00 41.13 H new ATOM 0 HD13 ILE A 84 13.534 4.692 4.619 1.00 41.13 H new ATOM 1304 N ASP A 85 9.087 4.213 5.002 1.00 63.42 N ATOM 1305 CA ASP A 85 8.549 3.781 6.287 1.00 52.34 C ATOM 1306 C ASP A 85 9.668 3.575 7.303 1.00 75.10 C ATOM 1307 O ASP A 85 10.777 3.179 6.947 1.00 51.44 O ATOM 1308 CB ASP A 85 7.749 2.488 6.120 1.00 11.34 C ATOM 1309 CG ASP A 85 6.385 2.727 5.503 1.00 32.43 C ATOM 1310 OD1 ASP A 85 5.631 3.566 6.038 1.00 33.11 O ATOM 1311 OD2 ASP A 85 6.071 2.073 4.486 1.00 10.21 O ATOM 0 H ASP A 85 9.426 3.454 4.410 1.00 63.42 H new ATOM 0 HA ASP A 85 7.887 4.563 6.658 1.00 52.34 H new ATOM 0 HB2 ASP A 85 8.311 1.795 5.494 1.00 11.34 H new ATOM 0 HB3 ASP A 85 7.626 2.012 7.093 1.00 11.34 H new ATOM 1316 N GLU A 86 9.367 3.847 8.569 1.00 25.53 N ATOM 1317 CA GLU A 86 10.349 3.692 9.636 1.00 2.13 C ATOM 1318 C GLU A 86 10.773 2.233 9.778 1.00 5.23 C ATOM 1319 O GLU A 86 11.894 1.939 10.193 1.00 13.20 O ATOM 1320 CB GLU A 86 9.779 4.200 10.962 1.00 14.10 C ATOM 1321 CG GLU A 86 8.716 3.291 11.556 1.00 71.35 C ATOM 1322 CD GLU A 86 8.126 3.843 12.839 1.00 63.40 C ATOM 1323 OE1 GLU A 86 7.310 4.784 12.761 1.00 50.12 O ATOM 1324 OE2 GLU A 86 8.482 3.332 13.922 1.00 73.10 O ATOM 0 H GLU A 86 8.453 4.175 8.880 1.00 25.53 H new ATOM 0 HA GLU A 86 11.227 4.284 9.375 1.00 2.13 H new ATOM 0 HB2 GLU A 86 10.593 4.310 11.679 1.00 14.10 H new ATOM 0 HB3 GLU A 86 9.353 5.191 10.808 1.00 14.10 H new ATOM 0 HG2 GLU A 86 7.919 3.146 10.827 1.00 71.35 H new ATOM 0 HG3 GLU A 86 9.150 2.311 11.753 1.00 71.35 H new ATOM 1331 N ASN A 87 9.869 1.324 9.431 1.00 32.52 N ATOM 1332 CA ASN A 87 10.148 -0.105 9.521 1.00 70.12 C ATOM 1333 C ASN A 87 11.306 -0.492 8.605 1.00 13.43 C ATOM 1334 O ASN A 87 12.217 -1.211 9.011 1.00 25.43 O ATOM 1335 CB ASN A 87 8.902 -0.913 9.154 1.00 34.55 C ATOM 1336 CG ASN A 87 7.723 -0.598 10.054 1.00 14.34 C ATOM 1337 OD1 ASN A 87 7.852 -0.569 11.278 1.00 33.54 O ATOM 1338 ND2 ASN A 87 6.565 -0.358 9.450 1.00 34.50 N ATOM 0 H ASN A 87 8.937 1.551 9.085 1.00 32.52 H new ATOM 0 HA ASN A 87 10.430 -0.331 10.549 1.00 70.12 H new ATOM 0 HB2 ASN A 87 8.631 -0.707 8.119 1.00 34.55 H new ATOM 0 HB3 ASN A 87 9.130 -1.977 9.218 1.00 34.55 H new ATOM 0 HD21 ASN A 87 5.737 -0.139 10.004 1.00 34.50 H new ATOM 0 HD22 ASN A 87 6.504 -0.393 8.432 1.00 34.50 H new ATOM 1345 N MET A 88 11.262 -0.007 7.368 1.00 32.44 N ATOM 1346 CA MET A 88 12.308 -0.301 6.396 1.00 40.32 C ATOM 1347 C MET A 88 13.546 0.551 6.656 1.00 25.01 C ATOM 1348 O MET A 88 14.673 0.117 6.416 1.00 62.35 O ATOM 1349 CB MET A 88 11.796 -0.057 4.975 1.00 42.51 C ATOM 1350 CG MET A 88 11.335 1.371 4.732 1.00 11.42 C ATOM 1351 SD MET A 88 10.865 1.667 3.017 1.00 43.53 S ATOM 1352 CE MET A 88 9.837 0.237 2.695 1.00 20.43 C ATOM 0 H MET A 88 10.514 0.591 7.016 1.00 32.44 H new ATOM 0 HA MET A 88 12.582 -1.351 6.500 1.00 40.32 H new ATOM 0 HB2 MET A 88 12.587 -0.300 4.266 1.00 42.51 H new ATOM 0 HB3 MET A 88 10.968 -0.737 4.774 1.00 42.51 H new ATOM 0 HG2 MET A 88 10.486 1.590 5.380 1.00 11.42 H new ATOM 0 HG3 MET A 88 12.134 2.059 5.010 1.00 11.42 H new ATOM 0 HE1 MET A 88 9.287 0.386 1.766 1.00 20.43 H new ATOM 0 HE2 MET A 88 10.465 -0.650 2.608 1.00 20.43 H new ATOM 0 HE3 MET A 88 9.132 0.103 3.516 1.00 20.43 H new ATOM 1362 N LYS A 89 13.331 1.766 7.149 1.00 74.04 N ATOM 1363 CA LYS A 89 14.429 2.679 7.443 1.00 53.13 C ATOM 1364 C LYS A 89 15.500 1.989 8.281 1.00 0.43 C ATOM 1365 O LYS A 89 16.695 2.209 8.083 1.00 22.31 O ATOM 1366 CB LYS A 89 13.908 3.916 8.178 1.00 33.35 C ATOM 1367 CG LYS A 89 14.847 5.107 8.105 1.00 15.43 C ATOM 1368 CD LYS A 89 14.526 6.136 9.176 1.00 10.54 C ATOM 1369 CE LYS A 89 13.589 7.213 8.652 1.00 54.41 C ATOM 1370 NZ LYS A 89 13.416 8.323 9.630 1.00 43.11 N ATOM 0 H LYS A 89 12.405 2.142 7.354 1.00 74.04 H new ATOM 0 HA LYS A 89 14.876 2.988 6.498 1.00 53.13 H new ATOM 0 HB2 LYS A 89 12.943 4.199 7.757 1.00 33.35 H new ATOM 0 HB3 LYS A 89 13.738 3.662 9.224 1.00 33.35 H new ATOM 0 HG2 LYS A 89 15.876 4.768 8.222 1.00 15.43 H new ATOM 0 HG3 LYS A 89 14.774 5.570 7.121 1.00 15.43 H new ATOM 0 HD2 LYS A 89 14.069 5.640 10.033 1.00 10.54 H new ATOM 0 HD3 LYS A 89 15.449 6.596 9.529 1.00 10.54 H new ATOM 0 HE2 LYS A 89 13.981 7.611 7.716 1.00 54.41 H new ATOM 0 HE3 LYS A 89 12.618 6.772 8.428 1.00 54.41 H new ATOM 0 HZ1 LYS A 89 12.770 9.036 9.235 1.00 43.11 H new ATOM 0 HZ2 LYS A 89 13.018 7.948 10.514 1.00 43.11 H new ATOM 0 HZ3 LYS A 89 14.339 8.761 9.824 1.00 43.11 H new ATOM 1384 N LYS A 90 15.065 1.154 9.218 1.00 33.30 N ATOM 1385 CA LYS A 90 15.986 0.429 10.085 1.00 32.15 C ATOM 1386 C LYS A 90 16.933 -0.442 9.267 1.00 72.35 C ATOM 1387 O LYS A 90 18.112 -0.572 9.594 1.00 64.21 O ATOM 1388 CB LYS A 90 15.208 -0.438 11.078 1.00 23.04 C ATOM 1389 CG LYS A 90 14.600 -1.681 10.454 1.00 75.45 C ATOM 1390 CD LYS A 90 15.510 -2.888 10.611 1.00 43.52 C ATOM 1391 CE LYS A 90 15.601 -3.332 12.063 1.00 41.24 C ATOM 1392 NZ LYS A 90 16.873 -2.891 12.699 1.00 2.21 N ATOM 0 H LYS A 90 14.079 0.962 9.397 1.00 33.30 H new ATOM 0 HA LYS A 90 16.578 1.160 10.636 1.00 32.15 H new ATOM 0 HB2 LYS A 90 15.875 -0.737 11.887 1.00 23.04 H new ATOM 0 HB3 LYS A 90 14.413 0.160 11.525 1.00 23.04 H new ATOM 0 HG2 LYS A 90 13.636 -1.888 10.919 1.00 75.45 H new ATOM 0 HG3 LYS A 90 14.411 -1.502 9.395 1.00 75.45 H new ATOM 0 HD2 LYS A 90 15.135 -3.710 10.001 1.00 43.52 H new ATOM 0 HD3 LYS A 90 16.506 -2.645 10.241 1.00 43.52 H new ATOM 0 HE2 LYS A 90 14.757 -2.926 12.620 1.00 41.24 H new ATOM 0 HE3 LYS A 90 15.526 -4.418 12.116 1.00 41.24 H new ATOM 0 HZ1 LYS A 90 17.466 -3.721 12.900 1.00 2.21 H new ATOM 0 HZ2 LYS A 90 17.380 -2.251 12.054 1.00 2.21 H new ATOM 0 HZ3 LYS A 90 16.662 -2.392 13.587 1.00 2.21 H new ATOM 1406 N VAL A 91 16.409 -1.037 8.199 1.00 11.31 N ATOM 1407 CA VAL A 91 17.209 -1.893 7.332 1.00 75.53 C ATOM 1408 C VAL A 91 18.174 -1.071 6.486 1.00 70.14 C ATOM 1409 O VAL A 91 19.306 -1.487 6.236 1.00 32.23 O ATOM 1410 CB VAL A 91 16.318 -2.737 6.401 1.00 73.25 C ATOM 1411 CG1 VAL A 91 14.951 -2.964 7.029 1.00 4.24 C ATOM 1412 CG2 VAL A 91 16.184 -2.067 5.041 1.00 33.43 C ATOM 0 H VAL A 91 15.434 -0.941 7.914 1.00 11.31 H new ATOM 0 HA VAL A 91 17.777 -2.559 7.982 1.00 75.53 H new ATOM 0 HB VAL A 91 16.791 -3.709 6.258 1.00 73.25 H new ATOM 0 HG11 VAL A 91 14.336 -3.562 6.356 1.00 4.24 H new ATOM 0 HG12 VAL A 91 15.069 -3.490 7.977 1.00 4.24 H new ATOM 0 HG13 VAL A 91 14.467 -2.003 7.205 1.00 4.24 H new ATOM 0 HG21 VAL A 91 15.551 -2.677 4.396 1.00 33.43 H new ATOM 0 HG22 VAL A 91 15.735 -1.082 5.164 1.00 33.43 H new ATOM 0 HG23 VAL A 91 17.170 -1.962 4.588 1.00 33.43 H new ATOM 1422 N ILE A 92 17.719 0.098 6.047 1.00 25.12 N ATOM 1423 CA ILE A 92 18.544 0.980 5.230 1.00 31.33 C ATOM 1424 C ILE A 92 19.712 1.541 6.034 1.00 61.21 C ATOM 1425 O ILE A 92 20.858 1.518 5.584 1.00 71.21 O ATOM 1426 CB ILE A 92 17.721 2.149 4.657 1.00 21.24 C ATOM 1427 CG1 ILE A 92 16.355 1.653 4.179 1.00 13.33 C ATOM 1428 CG2 ILE A 92 18.475 2.820 3.519 1.00 63.50 C ATOM 1429 CD1 ILE A 92 15.602 2.667 3.346 1.00 63.34 C ATOM 0 H ILE A 92 16.784 0.456 6.243 1.00 25.12 H new ATOM 0 HA ILE A 92 18.929 0.379 4.406 1.00 31.33 H new ATOM 0 HB ILE A 92 17.564 2.885 5.446 1.00 21.24 H new ATOM 0 HG12 ILE A 92 16.492 0.744 3.594 1.00 13.33 H new ATOM 0 HG13 ILE A 92 15.751 1.386 5.046 1.00 13.33 H new ATOM 0 HG21 ILE A 92 17.880 3.644 3.125 1.00 63.50 H new ATOM 0 HG22 ILE A 92 19.426 3.203 3.889 1.00 63.50 H new ATOM 0 HG23 ILE A 92 18.660 2.094 2.727 1.00 63.50 H new ATOM 0 HD11 ILE A 92 14.643 2.248 3.042 1.00 63.34 H new ATOM 0 HD12 ILE A 92 15.433 3.569 3.935 1.00 63.34 H new ATOM 0 HD13 ILE A 92 16.186 2.916 2.460 1.00 63.34 H new ATOM 1441 N LYS A 93 19.415 2.043 7.227 1.00 12.34 N ATOM 1442 CA LYS A 93 20.440 2.608 8.097 1.00 32.03 C ATOM 1443 C LYS A 93 21.425 1.534 8.545 1.00 24.55 C ATOM 1444 O LYS A 93 22.635 1.760 8.574 1.00 55.30 O ATOM 1445 CB LYS A 93 19.795 3.265 9.320 1.00 51.44 C ATOM 1446 CG LYS A 93 20.677 4.306 9.987 1.00 43.01 C ATOM 1447 CD LYS A 93 19.940 5.031 11.100 1.00 51.41 C ATOM 1448 CE LYS A 93 20.882 5.902 11.918 1.00 71.32 C ATOM 1449 NZ LYS A 93 21.654 5.103 12.909 1.00 2.25 N ATOM 0 H LYS A 93 18.472 2.070 7.614 1.00 12.34 H new ATOM 0 HA LYS A 93 20.985 3.364 7.531 1.00 32.03 H new ATOM 0 HB2 LYS A 93 18.858 3.734 9.018 1.00 51.44 H new ATOM 0 HB3 LYS A 93 19.545 2.493 10.047 1.00 51.44 H new ATOM 0 HG2 LYS A 93 21.567 3.824 10.392 1.00 43.01 H new ATOM 0 HG3 LYS A 93 21.016 5.028 9.243 1.00 43.01 H new ATOM 0 HD2 LYS A 93 19.150 5.649 10.672 1.00 51.41 H new ATOM 0 HD3 LYS A 93 19.457 4.303 11.752 1.00 51.41 H new ATOM 0 HE2 LYS A 93 21.572 6.418 11.250 1.00 71.32 H new ATOM 0 HE3 LYS A 93 20.308 6.669 12.438 1.00 71.32 H new ATOM 0 HZ1 LYS A 93 22.284 5.732 13.447 1.00 2.25 H new ATOM 0 HZ2 LYS A 93 20.997 4.631 13.562 1.00 2.25 H new ATOM 0 HZ3 LYS A 93 22.221 4.387 12.412 1.00 2.25 H new ATOM 1463 N ALA A 94 20.900 0.363 8.893 1.00 3.33 N ATOM 1464 CA ALA A 94 21.734 -0.747 9.336 1.00 4.25 C ATOM 1465 C ALA A 94 22.602 -1.270 8.197 1.00 23.31 C ATOM 1466 O ALA A 94 23.719 -1.741 8.418 1.00 34.21 O ATOM 1467 CB ALA A 94 20.870 -1.865 9.900 1.00 13.43 C ATOM 0 H ALA A 94 19.901 0.159 8.876 1.00 3.33 H new ATOM 0 HA ALA A 94 22.394 -0.381 10.123 1.00 4.25 H new ATOM 0 HB1 ALA A 94 21.507 -2.687 10.227 1.00 13.43 H new ATOM 0 HB2 ALA A 94 20.298 -1.490 10.748 1.00 13.43 H new ATOM 0 HB3 ALA A 94 20.186 -2.220 9.129 1.00 13.43 H new ATOM 1473 N THR A 95 22.082 -1.186 6.976 1.00 24.13 N ATOM 1474 CA THR A 95 22.809 -1.653 5.802 1.00 12.03 C ATOM 1475 C THR A 95 24.001 -0.752 5.499 1.00 33.20 C ATOM 1476 O THR A 95 25.108 -1.232 5.259 1.00 61.11 O ATOM 1477 CB THR A 95 21.896 -1.712 4.563 1.00 13.42 C ATOM 1478 OG1 THR A 95 20.948 -2.776 4.703 1.00 50.11 O ATOM 1479 CG2 THR A 95 22.714 -1.917 3.297 1.00 32.23 C ATOM 0 H THR A 95 21.160 -0.799 6.775 1.00 24.13 H new ATOM 0 HA THR A 95 23.165 -2.658 6.030 1.00 12.03 H new ATOM 0 HB THR A 95 21.366 -0.763 4.484 1.00 13.42 H new ATOM 0 HG1 THR A 95 21.410 -3.590 4.994 1.00 50.11 H new ATOM 0 HG21 THR A 95 22.047 -1.955 2.435 1.00 32.23 H new ATOM 0 HG22 THR A 95 23.414 -1.090 3.178 1.00 32.23 H new ATOM 0 HG23 THR A 95 23.268 -2.853 3.369 1.00 32.23 H new ATOM 1487 N ALA A 96 23.766 0.556 5.512 1.00 24.14 N ATOM 1488 CA ALA A 96 24.822 1.524 5.241 1.00 30.24 C ATOM 1489 C ALA A 96 25.872 1.514 6.347 1.00 44.43 C ATOM 1490 O ALA A 96 27.072 1.499 6.074 1.00 3.44 O ATOM 1491 CB ALA A 96 24.232 2.917 5.083 1.00 42.41 C ATOM 0 H ALA A 96 22.854 0.970 5.707 1.00 24.14 H new ATOM 0 HA ALA A 96 25.311 1.241 4.309 1.00 30.24 H new ATOM 0 HB1 ALA A 96 25.031 3.630 4.881 1.00 42.41 H new ATOM 0 HB2 ALA A 96 23.525 2.921 4.254 1.00 42.41 H new ATOM 0 HB3 ALA A 96 23.717 3.200 6.001 1.00 42.41 H new ATOM 1497 N GLU A 97 25.413 1.524 7.594 1.00 15.00 N ATOM 1498 CA GLU A 97 26.314 1.518 8.740 1.00 42.21 C ATOM 1499 C GLU A 97 27.083 0.203 8.821 1.00 61.55 C ATOM 1500 O GLU A 97 28.233 0.168 9.260 1.00 71.44 O ATOM 1501 CB GLU A 97 25.531 1.744 10.035 1.00 72.23 C ATOM 1502 CG GLU A 97 24.785 0.511 10.517 1.00 15.33 C ATOM 1503 CD GLU A 97 25.643 -0.388 11.386 1.00 50.42 C ATOM 1504 OE1 GLU A 97 26.630 0.114 11.963 1.00 25.23 O ATOM 1505 OE2 GLU A 97 25.328 -1.591 11.488 1.00 30.51 O ATOM 0 H GLU A 97 24.422 1.536 7.836 1.00 15.00 H new ATOM 0 HA GLU A 97 27.029 2.330 8.610 1.00 42.21 H new ATOM 0 HB2 GLU A 97 26.220 2.070 10.814 1.00 72.23 H new ATOM 0 HB3 GLU A 97 24.817 2.554 9.882 1.00 72.23 H new ATOM 0 HG2 GLU A 97 23.904 0.821 11.080 1.00 15.33 H new ATOM 0 HG3 GLU A 97 24.430 -0.054 9.655 1.00 15.33 H new ATOM 1512 N LYS A 98 26.440 -0.879 8.394 1.00 13.10 N ATOM 1513 CA LYS A 98 27.061 -2.198 8.416 1.00 11.13 C ATOM 1514 C LYS A 98 28.367 -2.198 7.628 1.00 11.41 C ATOM 1515 O LYS A 98 29.342 -2.837 8.023 1.00 1.34 O ATOM 1516 CB LYS A 98 26.105 -3.244 7.839 1.00 31.32 C ATOM 1517 CG LYS A 98 26.762 -4.587 7.572 1.00 23.21 C ATOM 1518 CD LYS A 98 27.343 -5.186 8.842 1.00 64.00 C ATOM 1519 CE LYS A 98 27.982 -6.541 8.578 1.00 43.23 C ATOM 1520 NZ LYS A 98 26.997 -7.526 8.052 1.00 51.44 N ATOM 0 H LYS A 98 25.488 -0.868 8.028 1.00 13.10 H new ATOM 0 HA LYS A 98 27.283 -2.450 9.453 1.00 11.13 H new ATOM 0 HB2 LYS A 98 25.275 -3.386 8.531 1.00 31.32 H new ATOM 0 HB3 LYS A 98 25.683 -2.864 6.909 1.00 31.32 H new ATOM 0 HG2 LYS A 98 26.030 -5.273 7.147 1.00 23.21 H new ATOM 0 HG3 LYS A 98 27.552 -4.466 6.831 1.00 23.21 H new ATOM 0 HD2 LYS A 98 28.087 -4.507 9.259 1.00 64.00 H new ATOM 0 HD3 LYS A 98 26.556 -5.293 9.588 1.00 64.00 H new ATOM 0 HE2 LYS A 98 28.797 -6.425 7.863 1.00 43.23 H new ATOM 0 HE3 LYS A 98 28.419 -6.922 9.501 1.00 43.23 H new ATOM 0 HZ1 LYS A 98 27.400 -8.483 8.108 1.00 51.44 H new ATOM 0 HZ2 LYS A 98 26.126 -7.483 8.619 1.00 51.44 H new ATOM 0 HZ3 LYS A 98 26.776 -7.301 7.061 1.00 51.44 H new ATOM 1534 N PHE A 99 28.379 -1.476 6.513 1.00 42.35 N ATOM 1535 CA PHE A 99 29.566 -1.392 5.669 1.00 0.12 C ATOM 1536 C PHE A 99 30.726 -0.751 6.425 1.00 2.11 C ATOM 1537 O PHE A 99 31.889 -1.091 6.206 1.00 40.23 O ATOM 1538 CB PHE A 99 29.262 -0.589 4.403 1.00 60.13 C ATOM 1539 CG PHE A 99 28.738 -1.428 3.272 1.00 21.14 C ATOM 1540 CD1 PHE A 99 29.547 -2.370 2.659 1.00 63.53 C ATOM 1541 CD2 PHE A 99 27.436 -1.274 2.823 1.00 4.13 C ATOM 1542 CE1 PHE A 99 29.068 -3.144 1.618 1.00 23.55 C ATOM 1543 CE2 PHE A 99 26.952 -2.045 1.784 1.00 73.20 C ATOM 1544 CZ PHE A 99 27.769 -2.981 1.180 1.00 51.20 C ATOM 0 H PHE A 99 27.581 -0.940 6.172 1.00 42.35 H new ATOM 0 HA PHE A 99 29.854 -2.405 5.388 1.00 0.12 H new ATOM 0 HB2 PHE A 99 28.531 0.185 4.640 1.00 60.13 H new ATOM 0 HB3 PHE A 99 30.170 -0.081 4.078 1.00 60.13 H new ATOM 0 HD1 PHE A 99 30.564 -2.502 2.998 1.00 63.53 H new ATOM 0 HD2 PHE A 99 26.793 -0.543 3.291 1.00 4.13 H new ATOM 0 HE1 PHE A 99 29.709 -3.875 1.148 1.00 23.55 H new ATOM 0 HE2 PHE A 99 25.935 -1.916 1.444 1.00 73.20 H new ATOM 0 HZ PHE A 99 27.392 -3.584 0.367 1.00 51.20 H new ATOM 1554 N LYS A 100 30.402 0.180 7.316 1.00 35.54 N ATOM 1555 CA LYS A 100 31.414 0.869 8.107 1.00 44.34 C ATOM 1556 C LYS A 100 32.194 -0.116 8.971 1.00 64.10 C ATOM 1557 O LYS A 100 33.360 0.112 9.290 1.00 24.20 O ATOM 1558 CB LYS A 100 30.763 1.935 8.991 1.00 74.21 C ATOM 1559 CG LYS A 100 31.495 3.265 8.980 1.00 0.32 C ATOM 1560 CD LYS A 100 32.930 3.116 9.457 1.00 60.31 C ATOM 1561 CE LYS A 100 32.991 2.715 10.923 1.00 65.52 C ATOM 1562 NZ LYS A 100 34.058 3.452 11.656 1.00 55.25 N ATOM 0 H LYS A 100 29.445 0.475 7.508 1.00 35.54 H new ATOM 0 HA LYS A 100 32.109 1.351 7.420 1.00 44.34 H new ATOM 0 HB2 LYS A 100 29.737 2.092 8.660 1.00 74.21 H new ATOM 0 HB3 LYS A 100 30.714 1.565 10.015 1.00 74.21 H new ATOM 0 HG2 LYS A 100 31.487 3.677 7.971 1.00 0.32 H new ATOM 0 HG3 LYS A 100 30.970 3.975 9.619 1.00 0.32 H new ATOM 0 HD2 LYS A 100 33.440 2.366 8.852 1.00 60.31 H new ATOM 0 HD3 LYS A 100 33.462 4.057 9.313 1.00 60.31 H new ATOM 0 HE2 LYS A 100 32.027 2.909 11.393 1.00 65.52 H new ATOM 0 HE3 LYS A 100 33.172 1.643 10.999 1.00 65.52 H new ATOM 0 HZ1 LYS A 100 34.067 3.151 12.651 1.00 55.25 H new ATOM 0 HZ2 LYS A 100 34.981 3.247 11.224 1.00 55.25 H new ATOM 0 HZ3 LYS A 100 33.871 4.474 11.606 1.00 55.25 H new ATOM 1576 N ASN A 101 31.543 -1.212 9.345 1.00 31.53 N ATOM 1577 CA ASN A 101 32.177 -2.233 10.172 1.00 35.31 C ATOM 1578 C ASN A 101 33.365 -2.859 9.448 1.00 34.41 C ATOM 1579 O ASN A 101 34.207 -3.513 10.064 1.00 41.13 O ATOM 1580 CB ASN A 101 31.164 -3.317 10.546 1.00 73.41 C ATOM 1581 CG ASN A 101 30.004 -2.771 11.356 1.00 3.23 C ATOM 1582 OD1 ASN A 101 29.900 -1.564 11.575 1.00 52.21 O ATOM 1583 ND2 ASN A 101 29.126 -3.660 11.807 1.00 44.44 N ATOM 0 H ASN A 101 30.577 -1.416 9.089 1.00 31.53 H new ATOM 0 HA ASN A 101 32.540 -1.755 11.082 1.00 35.31 H new ATOM 0 HB2 ASN A 101 30.782 -3.782 9.637 1.00 73.41 H new ATOM 0 HB3 ASN A 101 31.666 -4.098 11.117 1.00 73.41 H new ATOM 0 HD21 ASN A 101 28.326 -3.352 12.359 1.00 44.44 H new ATOM 0 HD22 ASN A 101 29.252 -4.651 11.601 1.00 44.44 H new ATOM 1590 N LYS A 102 33.426 -2.655 8.137 1.00 41.43 N ATOM 1591 CA LYS A 102 34.511 -3.196 7.327 1.00 21.43 C ATOM 1592 C LYS A 102 35.583 -2.140 7.077 1.00 30.52 C ATOM 1593 O LYS A 102 36.654 -2.441 6.552 1.00 71.42 O ATOM 1594 CB LYS A 102 33.970 -3.715 5.993 1.00 13.11 C ATOM 1595 CG LYS A 102 34.428 -5.123 5.657 1.00 62.34 C ATOM 1596 CD LYS A 102 34.070 -5.500 4.229 1.00 34.40 C ATOM 1597 CE LYS A 102 35.311 -5.639 3.361 1.00 73.13 C ATOM 1598 NZ LYS A 102 35.021 -6.361 2.091 1.00 63.21 N ATOM 0 H LYS A 102 32.736 -2.118 7.612 1.00 41.43 H new ATOM 0 HA LYS A 102 34.962 -4.023 7.875 1.00 21.43 H new ATOM 0 HB2 LYS A 102 32.881 -3.693 6.019 1.00 13.11 H new ATOM 0 HB3 LYS A 102 34.283 -3.040 5.196 1.00 13.11 H new ATOM 0 HG2 LYS A 102 35.507 -5.198 5.795 1.00 62.34 H new ATOM 0 HG3 LYS A 102 33.968 -5.831 6.347 1.00 62.34 H new ATOM 0 HD2 LYS A 102 33.517 -6.439 4.227 1.00 34.40 H new ATOM 0 HD3 LYS A 102 33.412 -4.741 3.806 1.00 34.40 H new ATOM 0 HE2 LYS A 102 35.708 -4.650 3.134 1.00 73.13 H new ATOM 0 HE3 LYS A 102 36.083 -6.173 3.914 1.00 73.13 H new ATOM 0 HZ1 LYS A 102 35.747 -7.089 1.932 1.00 63.21 H new ATOM 0 HZ2 LYS A 102 34.086 -6.812 2.154 1.00 63.21 H new ATOM 0 HZ3 LYS A 102 35.027 -5.687 1.299 1.00 63.21 H new ATOM 1612 N GLY A 103 35.287 -0.901 7.459 1.00 64.43 N ATOM 1613 CA GLY A 103 36.237 0.180 7.269 1.00 73.35 C ATOM 1614 C GLY A 103 35.922 1.020 6.047 1.00 75.11 C ATOM 1615 O GLY A 103 36.650 0.984 5.055 1.00 72.21 O ATOM 0 H GLY A 103 34.407 -0.627 7.896 1.00 64.43 H new ATOM 0 HA2 GLY A 103 36.239 0.817 8.153 1.00 73.35 H new ATOM 0 HA3 GLY A 103 37.240 -0.235 7.172 1.00 73.35 H new ATOM 1619 N PHE A 104 34.832 1.778 6.117 1.00 61.30 N ATOM 1620 CA PHE A 104 34.420 2.629 5.007 1.00 63.12 C ATOM 1621 C PHE A 104 33.617 3.825 5.508 1.00 52.41 C ATOM 1622 O PHE A 104 33.379 3.970 6.707 1.00 12.22 O ATOM 1623 CB PHE A 104 33.590 1.827 4.003 1.00 52.15 C ATOM 1624 CG PHE A 104 34.380 0.780 3.272 1.00 62.33 C ATOM 1625 CD1 PHE A 104 35.040 1.088 2.093 1.00 22.00 C ATOM 1626 CD2 PHE A 104 34.464 -0.513 3.764 1.00 52.24 C ATOM 1627 CE1 PHE A 104 35.768 0.126 1.418 1.00 34.23 C ATOM 1628 CE2 PHE A 104 35.190 -1.479 3.093 1.00 21.24 C ATOM 1629 CZ PHE A 104 35.844 -1.159 1.920 1.00 53.04 C ATOM 0 H PHE A 104 34.219 1.820 6.931 1.00 61.30 H new ATOM 0 HA PHE A 104 35.318 2.999 4.512 1.00 63.12 H new ATOM 0 HB2 PHE A 104 32.764 1.347 4.528 1.00 52.15 H new ATOM 0 HB3 PHE A 104 33.151 2.512 3.277 1.00 52.15 H new ATOM 0 HD1 PHE A 104 34.985 2.091 1.697 1.00 22.00 H new ATOM 0 HD2 PHE A 104 33.956 -0.769 4.682 1.00 52.24 H new ATOM 0 HE1 PHE A 104 36.277 0.379 0.499 1.00 34.23 H new ATOM 0 HE2 PHE A 104 35.246 -2.483 3.486 1.00 21.24 H new ATOM 0 HZ PHE A 104 36.414 -1.912 1.396 1.00 53.04 H new ATOM 1639 N LYS A 105 33.202 4.682 4.581 1.00 73.34 N ATOM 1640 CA LYS A 105 32.424 5.866 4.925 1.00 4.24 C ATOM 1641 C LYS A 105 30.987 5.737 4.431 1.00 21.41 C ATOM 1642 O LYS A 105 30.744 5.560 3.237 1.00 2.42 O ATOM 1643 CB LYS A 105 33.070 7.117 4.326 1.00 2.51 C ATOM 1644 CG LYS A 105 32.316 8.399 4.636 1.00 2.03 C ATOM 1645 CD LYS A 105 32.515 8.828 6.080 1.00 25.44 C ATOM 1646 CE LYS A 105 32.037 10.253 6.310 1.00 45.23 C ATOM 1647 NZ LYS A 105 30.584 10.404 6.022 1.00 21.14 N ATOM 0 H LYS A 105 33.392 4.578 3.584 1.00 73.34 H new ATOM 0 HA LYS A 105 32.409 5.956 6.011 1.00 4.24 H new ATOM 0 HB2 LYS A 105 34.089 7.205 4.702 1.00 2.51 H new ATOM 0 HB3 LYS A 105 33.138 6.998 3.245 1.00 2.51 H new ATOM 0 HG2 LYS A 105 32.656 9.192 3.970 1.00 2.03 H new ATOM 0 HG3 LYS A 105 31.253 8.253 4.442 1.00 2.03 H new ATOM 0 HD2 LYS A 105 31.973 8.151 6.740 1.00 25.44 H new ATOM 0 HD3 LYS A 105 33.570 8.751 6.341 1.00 25.44 H new ATOM 0 HE2 LYS A 105 32.234 10.540 7.343 1.00 45.23 H new ATOM 0 HE3 LYS A 105 32.605 10.933 5.676 1.00 45.23 H new ATOM 0 HZ1 LYS A 105 30.275 11.361 6.287 1.00 21.14 H new ATOM 0 HZ2 LYS A 105 30.414 10.254 5.007 1.00 21.14 H new ATOM 0 HZ3 LYS A 105 30.047 9.703 6.571 1.00 21.14 H new ATOM 1661 N VAL A 106 30.037 5.826 5.357 1.00 43.52 N ATOM 1662 CA VAL A 106 28.624 5.722 5.015 1.00 71.15 C ATOM 1663 C VAL A 106 27.869 6.988 5.403 1.00 3.32 C ATOM 1664 O VAL A 106 28.024 7.499 6.512 1.00 20.41 O ATOM 1665 CB VAL A 106 27.967 4.513 5.707 1.00 52.03 C ATOM 1666 CG1 VAL A 106 28.829 4.025 6.861 1.00 71.43 C ATOM 1667 CG2 VAL A 106 26.569 4.871 6.189 1.00 70.43 C ATOM 0 H VAL A 106 30.221 5.970 6.350 1.00 43.52 H new ATOM 0 HA VAL A 106 28.569 5.587 3.935 1.00 71.15 H new ATOM 0 HB VAL A 106 27.881 3.704 4.982 1.00 52.03 H new ATOM 0 HG11 VAL A 106 28.349 3.171 7.338 1.00 71.43 H new ATOM 0 HG12 VAL A 106 29.807 3.728 6.484 1.00 71.43 H new ATOM 0 HG13 VAL A 106 28.949 4.827 7.590 1.00 71.43 H new ATOM 0 HG21 VAL A 106 26.119 4.006 6.676 1.00 70.43 H new ATOM 0 HG22 VAL A 106 26.629 5.696 6.899 1.00 70.43 H new ATOM 0 HG23 VAL A 106 25.956 5.168 5.338 1.00 70.43 H new ATOM 1677 N GLU A 107 27.052 7.490 4.482 1.00 30.34 N ATOM 1678 CA GLU A 107 26.273 8.697 4.730 1.00 41.44 C ATOM 1679 C GLU A 107 24.803 8.477 4.385 1.00 60.21 C ATOM 1680 O GLU A 107 24.476 7.780 3.423 1.00 10.15 O ATOM 1681 CB GLU A 107 26.830 9.866 3.914 1.00 72.04 C ATOM 1682 CG GLU A 107 25.967 11.115 3.973 1.00 51.24 C ATOM 1683 CD GLU A 107 25.859 11.684 5.374 1.00 0.11 C ATOM 1684 OE1 GLU A 107 26.818 11.517 6.157 1.00 34.40 O ATOM 1685 OE2 GLU A 107 24.817 12.296 5.688 1.00 11.10 O ATOM 0 H GLU A 107 26.913 7.080 3.559 1.00 30.34 H new ATOM 0 HA GLU A 107 26.347 8.935 5.791 1.00 41.44 H new ATOM 0 HB2 GLU A 107 27.829 10.108 4.276 1.00 72.04 H new ATOM 0 HB3 GLU A 107 26.934 9.555 2.874 1.00 72.04 H new ATOM 0 HG2 GLU A 107 26.384 11.872 3.309 1.00 51.24 H new ATOM 0 HG3 GLU A 107 24.969 10.880 3.602 1.00 51.24 H new ATOM 1692 N THR A 108 23.919 9.075 5.177 1.00 1.35 N ATOM 1693 CA THR A 108 22.484 8.944 4.959 1.00 62.34 C ATOM 1694 C THR A 108 21.842 10.300 4.690 1.00 23.01 C ATOM 1695 O THR A 108 22.091 11.268 5.408 1.00 3.34 O ATOM 1696 CB THR A 108 21.789 8.290 6.168 1.00 61.22 C ATOM 1697 OG1 THR A 108 21.873 9.153 7.307 1.00 3.21 O ATOM 1698 CG2 THR A 108 22.423 6.946 6.495 1.00 3.42 C ATOM 0 H THR A 108 24.172 9.656 5.976 1.00 1.35 H new ATOM 0 HA THR A 108 22.355 8.305 4.086 1.00 62.34 H new ATOM 0 HB THR A 108 20.742 8.127 5.913 1.00 61.22 H new ATOM 0 HG1 THR A 108 21.427 8.731 8.071 1.00 3.21 H new ATOM 0 HG21 THR A 108 21.916 6.503 7.352 1.00 3.42 H new ATOM 0 HG22 THR A 108 22.331 6.282 5.636 1.00 3.42 H new ATOM 0 HG23 THR A 108 23.477 7.089 6.732 1.00 3.42 H new ATOM 1706 N ASP A 109 21.015 10.363 3.653 1.00 61.44 N ATOM 1707 CA ASP A 109 20.335 11.601 3.290 1.00 24.03 C ATOM 1708 C ASP A 109 18.940 11.315 2.743 1.00 4.21 C ATOM 1709 O ASP A 109 18.526 10.161 2.645 1.00 63.53 O ATOM 1710 CB ASP A 109 21.155 12.373 2.255 1.00 14.30 C ATOM 1711 CG ASP A 109 21.198 13.861 2.544 1.00 71.03 C ATOM 1712 OD1 ASP A 109 21.277 14.233 3.734 1.00 75.25 O ATOM 1713 OD2 ASP A 109 21.154 14.653 1.580 1.00 51.42 O ATOM 0 H ASP A 109 20.799 9.571 3.048 1.00 61.44 H new ATOM 0 HA ASP A 109 20.234 12.209 4.189 1.00 24.03 H new ATOM 0 HB2 ASP A 109 22.172 11.980 2.235 1.00 14.30 H new ATOM 0 HB3 ASP A 109 20.730 12.210 1.264 1.00 14.30 H new ATOM 1718 N MET A 110 18.220 12.375 2.390 1.00 65.14 N ATOM 1719 CA MET A 110 16.872 12.237 1.852 1.00 12.23 C ATOM 1720 C MET A 110 16.857 12.493 0.349 1.00 52.54 C ATOM 1721 O MET A 110 15.901 12.138 -0.343 1.00 4.23 O ATOM 1722 CB MET A 110 15.918 13.205 2.556 1.00 62.12 C ATOM 1723 CG MET A 110 15.985 13.128 4.072 1.00 14.45 C ATOM 1724 SD MET A 110 14.587 13.941 4.871 1.00 74.53 S ATOM 1725 CE MET A 110 13.967 12.613 5.901 1.00 72.11 C ATOM 0 H MET A 110 18.547 13.338 2.467 1.00 65.14 H new ATOM 0 HA MET A 110 16.539 11.215 2.031 1.00 12.23 H new ATOM 0 HB2 MET A 110 16.149 14.223 2.241 1.00 62.12 H new ATOM 0 HB3 MET A 110 14.898 12.995 2.234 1.00 62.12 H new ATOM 0 HG2 MET A 110 16.016 12.082 4.378 1.00 14.45 H new ATOM 0 HG3 MET A 110 16.912 13.588 4.415 1.00 14.45 H new ATOM 0 HE1 MET A 110 13.099 12.961 6.460 1.00 72.11 H new ATOM 0 HE2 MET A 110 13.680 11.769 5.273 1.00 72.11 H new ATOM 0 HE3 MET A 110 14.745 12.299 6.597 1.00 72.11 H new TER 1735 MET A 110