USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 46 MET CE :methyl -156:sc= -3.11! (180deg=-4.56!) USER MOD Single : A 1 MET CE :methyl 171:sc= -8.51! (180deg=-9.33!) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0547 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.279 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.61 K(o=-2.6,f=-7.3!) USER MOD Single : A 10 SER OG : rot -99:sc= 0.799 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.397 K(o=0.4,f=-3.4!) 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 39:sc= -0.031 USER MOD Single : A 23 MET CE :methyl -108:sc= -1.91 (180deg=-5.87!) USER MOD Single : A 29 SER OG : rot 84:sc= 0.556 USER MOD Single : A 31 SER OG : rot -52:sc= 1.01 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.38) USER MOD Single : A 45 MET CE :methyl 153:sc= -1.74 (180deg=-3.28!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.868 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= 0 USER MOD Single : A 71 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.16) 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 -139:sc= -5.12! (180deg=-9.43!) 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= -0.014 K(o=-0.014,f=-1.6!) USER MOD Single : A 88 MET CE :methyl 172:sc= -6.89! (180deg=-7.35!) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.03) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -92:sc= 1.5 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 146:sc= 0.112 (180deg=-0.102) 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 1.443 -0.551 0.330 1.00 73.10 N ATOM 2 CA MET A 1 2.177 -0.140 -0.861 1.00 73.44 C ATOM 3 C MET A 1 3.538 -0.826 -0.925 1.00 34.40 C ATOM 4 O MET A 1 4.072 -1.266 0.094 1.00 12.51 O ATOM 5 CB MET A 1 2.357 1.379 -0.877 1.00 60.30 C ATOM 6 CG MET A 1 2.500 1.959 -2.274 1.00 44.45 C ATOM 7 SD MET A 1 3.381 3.533 -2.286 1.00 23.41 S ATOM 8 CE MET A 1 4.853 3.104 -1.359 1.00 34.51 C ATOM 0 H1 MET A 1 0.649 -1.163 0.054 1.00 73.10 H new ATOM 0 H2 MET A 1 2.078 -1.074 0.966 1.00 73.10 H new ATOM 0 H3 MET A 1 1.078 0.290 0.820 1.00 73.10 H new ATOM 0 HA MET A 1 1.598 -0.439 -1.735 1.00 73.44 H new ATOM 0 HB2 MET A 1 1.502 1.843 -0.386 1.00 60.30 H new ATOM 0 HB3 MET A 1 3.240 1.638 -0.293 1.00 60.30 H new ATOM 0 HG2 MET A 1 3.029 1.246 -2.907 1.00 44.45 H new ATOM 0 HG3 MET A 1 1.510 2.098 -2.709 1.00 44.45 H new ATOM 0 HE1 MET A 1 5.570 3.923 -1.415 1.00 34.51 H new ATOM 0 HE2 MET A 1 4.588 2.925 -0.317 1.00 34.51 H new ATOM 0 HE3 MET A 1 5.298 2.203 -1.780 1.00 34.51 H new ATOM 18 N THR A 2 4.095 -0.916 -2.129 1.00 32.02 N ATOM 19 CA THR A 2 5.392 -1.550 -2.325 1.00 44.21 C ATOM 20 C THR A 2 6.481 -0.510 -2.565 1.00 23.33 C ATOM 21 O THR A 2 6.317 0.400 -3.378 1.00 60.12 O ATOM 22 CB THR A 2 5.365 -2.531 -3.513 1.00 14.45 C ATOM 23 OG1 THR A 2 4.471 -3.614 -3.232 1.00 64.12 O ATOM 24 CG2 THR A 2 6.756 -3.075 -3.798 1.00 3.34 C ATOM 0 H THR A 2 3.667 -0.558 -2.983 1.00 32.02 H new ATOM 0 HA THR A 2 5.615 -2.103 -1.412 1.00 44.21 H new ATOM 0 HB THR A 2 5.017 -1.992 -4.394 1.00 14.45 H new ATOM 0 HG1 THR A 2 4.458 -4.233 -3.992 1.00 64.12 H new ATOM 0 HG21 THR A 2 6.711 -3.765 -4.641 1.00 3.34 H new ATOM 0 HG22 THR A 2 7.427 -2.250 -4.040 1.00 3.34 H new ATOM 0 HG23 THR A 2 7.129 -3.600 -2.918 1.00 3.34 H new ATOM 32 N LEU A 3 7.594 -0.651 -1.853 1.00 31.14 N ATOM 33 CA LEU A 3 8.712 0.276 -1.988 1.00 52.25 C ATOM 34 C LEU A 3 9.965 -0.448 -2.469 1.00 71.44 C ATOM 35 O LEU A 3 10.334 -1.494 -1.933 1.00 11.21 O ATOM 36 CB LEU A 3 8.990 0.969 -0.654 1.00 2.34 C ATOM 37 CG LEU A 3 8.933 2.497 -0.666 1.00 4.30 C ATOM 38 CD1 LEU A 3 8.012 2.988 -1.772 1.00 13.25 C ATOM 39 CD2 LEU A 3 8.476 3.025 0.686 1.00 32.00 C ATOM 0 H LEU A 3 7.746 -1.399 -1.176 1.00 31.14 H new ATOM 0 HA LEU A 3 8.441 1.027 -2.730 1.00 52.25 H new ATOM 0 HB2 LEU A 3 8.270 0.604 0.079 1.00 2.34 H new ATOM 0 HB3 LEU A 3 9.978 0.665 -0.309 1.00 2.34 H new ATOM 0 HG LEU A 3 9.936 2.877 -0.861 1.00 4.30 H new ATOM 0 HD11 LEU A 3 7.984 4.078 -1.765 1.00 13.25 H new ATOM 0 HD12 LEU A 3 8.384 2.641 -2.736 1.00 13.25 H new ATOM 0 HD13 LEU A 3 7.007 2.598 -1.609 1.00 13.25 H new ATOM 0 HD21 LEU A 3 8.442 4.114 0.659 1.00 32.00 H new ATOM 0 HD22 LEU A 3 7.483 2.636 0.912 1.00 32.00 H new ATOM 0 HD23 LEU A 3 9.176 2.704 1.458 1.00 32.00 H new ATOM 51 N CYS A 4 10.616 0.115 -3.481 1.00 73.43 N ATOM 52 CA CYS A 4 11.829 -0.477 -4.034 1.00 21.12 C ATOM 53 C CYS A 4 13.007 0.484 -3.912 1.00 10.12 C ATOM 54 O CYS A 4 12.824 1.698 -3.829 1.00 1.22 O ATOM 55 CB CYS A 4 11.614 -0.857 -5.500 1.00 5.53 C ATOM 56 SG CYS A 4 10.360 -2.133 -5.756 1.00 32.02 S ATOM 0 H CYS A 4 10.324 0.980 -3.935 1.00 73.43 H new ATOM 0 HA CYS A 4 12.057 -1.377 -3.463 1.00 21.12 H new ATOM 0 HB2 CYS A 4 11.328 0.035 -6.057 1.00 5.53 H new ATOM 0 HB3 CYS A 4 12.560 -1.203 -5.917 1.00 5.53 H new ATOM 0 HG CYS A 4 10.249 -2.384 -7.027 1.00 32.02 H new ATOM 62 N ALA A 5 14.216 -0.068 -3.900 1.00 72.01 N ATOM 63 CA ALA A 5 15.424 0.740 -3.788 1.00 53.14 C ATOM 64 C ALA A 5 16.521 0.218 -4.710 1.00 32.12 C ATOM 65 O ALA A 5 16.683 -0.991 -4.874 1.00 1.12 O ATOM 66 CB ALA A 5 15.910 0.766 -2.347 1.00 22.30 C ATOM 0 H ALA A 5 14.385 -1.072 -3.966 1.00 72.01 H new ATOM 0 HA ALA A 5 15.181 1.757 -4.096 1.00 53.14 H new ATOM 0 HB1 ALA A 5 16.813 1.373 -2.278 1.00 22.30 H new ATOM 0 HB2 ALA A 5 15.136 1.193 -1.710 1.00 22.30 H new ATOM 0 HB3 ALA A 5 16.130 -0.250 -2.019 1.00 22.30 H new ATOM 72 N MET A 6 17.271 1.137 -5.309 1.00 74.24 N ATOM 73 CA MET A 6 18.353 0.768 -6.214 1.00 70.34 C ATOM 74 C MET A 6 19.701 1.220 -5.662 1.00 62.33 C ATOM 75 O MET A 6 19.902 2.400 -5.377 1.00 15.52 O ATOM 76 CB MET A 6 18.123 1.382 -7.596 1.00 52.05 C ATOM 77 CG MET A 6 18.028 2.899 -7.579 1.00 50.10 C ATOM 78 SD MET A 6 17.245 3.563 -9.061 1.00 53.11 S ATOM 79 CE MET A 6 18.501 3.220 -10.291 1.00 31.42 C ATOM 0 H MET A 6 17.149 2.142 -5.184 1.00 74.24 H new ATOM 0 HA MET A 6 18.363 -0.318 -6.304 1.00 70.34 H new ATOM 0 HB2 MET A 6 18.937 1.085 -8.257 1.00 52.05 H new ATOM 0 HB3 MET A 6 17.205 0.973 -8.018 1.00 52.05 H new ATOM 0 HG2 MET A 6 17.462 3.214 -6.702 1.00 50.10 H new ATOM 0 HG3 MET A 6 19.028 3.321 -7.481 1.00 50.10 H new ATOM 0 HE1 MET A 6 18.163 3.574 -11.265 1.00 31.42 H new ATOM 0 HE2 MET A 6 19.425 3.731 -10.020 1.00 31.42 H new ATOM 0 HE3 MET A 6 18.681 2.146 -10.338 1.00 31.42 H new ATOM 89 N TYR A 7 20.622 0.274 -5.514 1.00 71.32 N ATOM 90 CA TYR A 7 21.950 0.575 -4.994 1.00 21.34 C ATOM 91 C TYR A 7 23.031 0.170 -5.991 1.00 70.52 C ATOM 92 O TYR A 7 22.950 -0.887 -6.616 1.00 53.12 O ATOM 93 CB TYR A 7 22.174 -0.144 -3.662 1.00 70.32 C ATOM 94 CG TYR A 7 22.416 -1.629 -3.809 1.00 63.53 C ATOM 95 CD1 TYR A 7 21.374 -2.497 -4.109 1.00 73.33 C ATOM 96 CD2 TYR A 7 23.689 -2.165 -3.649 1.00 54.31 C ATOM 97 CE1 TYR A 7 21.591 -3.855 -4.244 1.00 14.13 C ATOM 98 CE2 TYR A 7 23.915 -3.521 -3.783 1.00 41.12 C ATOM 99 CZ TYR A 7 22.863 -4.362 -4.080 1.00 51.11 C ATOM 100 OH TYR A 7 23.083 -5.714 -4.215 1.00 3.54 O ATOM 0 H TYR A 7 20.473 -0.708 -5.747 1.00 71.32 H new ATOM 0 HA TYR A 7 22.014 1.651 -4.834 1.00 21.34 H new ATOM 0 HB2 TYR A 7 23.027 0.306 -3.155 1.00 70.32 H new ATOM 0 HB3 TYR A 7 21.305 0.013 -3.023 1.00 70.32 H new ATOM 0 HD1 TYR A 7 20.377 -2.104 -4.239 1.00 73.33 H new ATOM 0 HD2 TYR A 7 24.515 -1.510 -3.416 1.00 54.31 H new ATOM 0 HE1 TYR A 7 20.769 -4.516 -4.477 1.00 14.13 H new ATOM 0 HE2 TYR A 7 24.910 -3.921 -3.656 1.00 41.12 H new ATOM 0 HH TYR A 7 23.836 -5.864 -4.824 1.00 3.54 H new ATOM 110 N ASN A 8 24.044 1.019 -6.134 1.00 34.52 N ATOM 111 CA ASN A 8 25.142 0.750 -7.055 1.00 10.30 C ATOM 112 C ASN A 8 26.443 0.510 -6.295 1.00 40.51 C ATOM 113 O ASN A 8 26.773 1.244 -5.362 1.00 72.42 O ATOM 114 CB ASN A 8 25.315 1.917 -8.029 1.00 51.50 C ATOM 115 CG ASN A 8 25.969 3.121 -7.379 1.00 1.13 C ATOM 116 OD1 ASN A 8 25.290 4.049 -6.940 1.00 52.40 O ATOM 117 ND2 ASN A 8 27.295 3.110 -7.314 1.00 45.41 N ATOM 0 H ASN A 8 24.127 1.898 -5.624 1.00 34.52 H new ATOM 0 HA ASN A 8 24.899 -0.151 -7.618 1.00 10.30 H new ATOM 0 HB2 ASN A 8 25.919 1.593 -8.877 1.00 51.50 H new ATOM 0 HB3 ASN A 8 24.340 2.205 -8.423 1.00 51.50 H new ATOM 0 HD21 ASN A 8 27.791 3.892 -6.887 1.00 45.41 H new ATOM 0 HD22 ASN A 8 27.818 2.319 -7.691 1.00 45.41 H new ATOM 124 N ILE A 9 27.178 -0.520 -6.701 1.00 54.51 N ATOM 125 CA ILE A 9 28.443 -0.855 -6.060 1.00 0.52 C ATOM 126 C ILE A 9 29.611 -0.682 -7.025 1.00 0.01 C ATOM 127 O ILE A 9 29.571 -1.165 -8.156 1.00 64.42 O ATOM 128 CB ILE A 9 28.440 -2.300 -5.529 1.00 33.21 C ATOM 129 CG1 ILE A 9 27.672 -3.216 -6.484 1.00 54.24 C ATOM 130 CG2 ILE A 9 27.832 -2.351 -4.135 1.00 24.21 C ATOM 131 CD1 ILE A 9 27.535 -4.636 -5.981 1.00 53.33 C ATOM 0 H ILE A 9 26.919 -1.137 -7.471 1.00 54.51 H new ATOM 0 HA ILE A 9 28.563 -0.169 -5.221 1.00 0.52 H new ATOM 0 HB ILE A 9 29.470 -2.651 -5.468 1.00 33.21 H new ATOM 0 HG12 ILE A 9 26.678 -2.801 -6.652 1.00 54.24 H new ATOM 0 HG13 ILE A 9 28.179 -3.228 -7.449 1.00 54.24 H new ATOM 0 HG21 ILE A 9 27.837 -3.379 -3.773 1.00 24.21 H new ATOM 0 HG22 ILE A 9 28.417 -1.726 -3.460 1.00 24.21 H new ATOM 0 HG23 ILE A 9 26.806 -1.984 -4.172 1.00 24.21 H new ATOM 0 HD11 ILE A 9 26.980 -5.228 -6.709 1.00 53.33 H new ATOM 0 HD12 ILE A 9 28.525 -5.069 -5.840 1.00 53.33 H new ATOM 0 HD13 ILE A 9 27.001 -4.635 -5.031 1.00 53.33 H new ATOM 143 N SER A 10 30.651 0.009 -6.569 1.00 51.22 N ATOM 144 CA SER A 10 31.830 0.248 -7.393 1.00 25.52 C ATOM 145 C SER A 10 33.058 -0.431 -6.792 1.00 42.44 C ATOM 146 O SER A 10 33.418 -0.181 -5.642 1.00 44.05 O ATOM 147 CB SER A 10 32.083 1.750 -7.537 1.00 32.50 C ATOM 148 OG SER A 10 32.803 2.034 -8.724 1.00 4.04 O ATOM 0 H SER A 10 30.701 0.413 -5.634 1.00 51.22 H new ATOM 0 HA SER A 10 31.646 -0.178 -8.379 1.00 25.52 H new ATOM 0 HB2 SER A 10 31.132 2.283 -7.548 1.00 32.50 H new ATOM 0 HB3 SER A 10 32.641 2.112 -6.674 1.00 32.50 H new ATOM 0 HG SER A 10 33.751 2.159 -8.510 1.00 4.04 H new ATOM 154 N MET A 11 33.696 -1.290 -7.580 1.00 43.23 N ATOM 155 CA MET A 11 34.885 -2.004 -7.128 1.00 13.23 C ATOM 156 C MET A 11 36.146 -1.193 -7.408 1.00 12.43 C ATOM 157 O MET A 11 37.255 -1.628 -7.102 1.00 5.11 O ATOM 158 CB MET A 11 34.979 -3.368 -7.814 1.00 53.21 C ATOM 159 CG MET A 11 35.233 -3.279 -9.310 1.00 44.01 C ATOM 160 SD MET A 11 33.751 -3.596 -10.287 1.00 65.30 S ATOM 161 CE MET A 11 34.154 -2.732 -11.803 1.00 61.24 C ATOM 0 H MET A 11 33.410 -1.509 -8.534 1.00 43.23 H new ATOM 0 HA MET A 11 34.801 -2.152 -6.051 1.00 13.23 H new ATOM 0 HB2 MET A 11 35.780 -3.944 -7.351 1.00 53.21 H new ATOM 0 HB3 MET A 11 34.053 -3.916 -7.643 1.00 53.21 H new ATOM 0 HG2 MET A 11 35.617 -2.288 -9.551 1.00 44.01 H new ATOM 0 HG3 MET A 11 36.006 -3.996 -9.587 1.00 44.01 H new ATOM 0 HE1 MET A 11 33.331 -2.836 -12.511 1.00 61.24 H new ATOM 0 HE2 MET A 11 34.316 -1.676 -11.588 1.00 61.24 H new ATOM 0 HE3 MET A 11 35.060 -3.158 -12.235 1.00 61.24 H new ATOM 171 N ALA A 12 35.967 -0.012 -7.991 1.00 42.10 N ATOM 172 CA ALA A 12 37.091 0.860 -8.310 1.00 52.13 C ATOM 173 C ALA A 12 36.616 2.141 -8.988 1.00 1.34 C ATOM 174 O ALA A 12 35.438 2.490 -8.922 1.00 61.23 O ATOM 175 CB ALA A 12 38.089 0.131 -9.197 1.00 25.12 C ATOM 0 H ALA A 12 35.055 0.363 -8.252 1.00 42.10 H new ATOM 0 HA ALA A 12 37.583 1.134 -7.377 1.00 52.13 H new ATOM 0 HB1 ALA A 12 38.923 0.794 -9.427 1.00 25.12 H new ATOM 0 HB2 ALA A 12 38.460 -0.752 -8.677 1.00 25.12 H new ATOM 0 HB3 ALA A 12 37.600 -0.172 -10.123 1.00 25.12 H new ATOM 181 N GLY A 13 37.542 2.840 -9.638 1.00 21.22 N ATOM 182 CA GLY A 13 37.198 4.075 -10.317 1.00 5.31 C ATOM 183 C GLY A 13 36.677 3.840 -11.721 1.00 21.34 C ATOM 184 O GLY A 13 36.691 4.744 -12.555 1.00 51.42 O ATOM 0 H GLY A 13 38.524 2.573 -9.706 1.00 21.22 H new ATOM 0 HA2 GLY A 13 36.443 4.607 -9.737 1.00 5.31 H new ATOM 0 HA3 GLY A 13 38.077 4.718 -10.362 1.00 5.31 H new ATOM 188 N SER A 14 36.217 2.620 -11.983 1.00 4.44 N ATOM 189 CA SER A 14 35.694 2.267 -13.297 1.00 63.20 C ATOM 190 C SER A 14 34.174 2.142 -13.261 1.00 62.41 C ATOM 191 O SER A 14 33.580 1.954 -12.199 1.00 10.21 O ATOM 192 CB SER A 14 36.314 0.954 -13.780 1.00 2.03 C ATOM 193 OG SER A 14 37.710 1.093 -13.980 1.00 61.42 O ATOM 0 H SER A 14 36.196 1.860 -11.303 1.00 4.44 H new ATOM 0 HA SER A 14 35.959 3.063 -13.992 1.00 63.20 H new ATOM 0 HB2 SER A 14 36.125 0.168 -13.049 1.00 2.03 H new ATOM 0 HB3 SER A 14 35.839 0.645 -14.711 1.00 2.03 H new ATOM 0 HG SER A 14 38.083 0.240 -14.287 1.00 61.42 H new ATOM 199 N HIS A 15 33.550 2.247 -14.430 1.00 62.32 N ATOM 200 CA HIS A 15 32.099 2.145 -14.534 1.00 71.10 C ATOM 201 C HIS A 15 31.546 1.177 -13.493 1.00 23.54 C ATOM 202 O HIS A 15 31.701 -0.040 -13.597 1.00 61.42 O ATOM 203 CB HIS A 15 31.698 1.687 -15.937 1.00 13.34 C ATOM 204 CG HIS A 15 30.259 1.947 -16.263 1.00 2.31 C ATOM 205 ND1 HIS A 15 29.215 1.454 -15.509 1.00 4.34 N ATOM 206 CD2 HIS A 15 29.693 2.655 -17.268 1.00 44.14 C ATOM 207 CE1 HIS A 15 28.070 1.846 -16.037 1.00 52.11 C ATOM 208 NE2 HIS A 15 28.332 2.577 -17.106 1.00 21.42 N ATOM 0 H HIS A 15 34.027 2.403 -15.318 1.00 62.32 H new ATOM 0 HA HIS A 15 31.676 3.132 -14.347 1.00 71.10 H new ATOM 0 HB2 HIS A 15 32.326 2.195 -16.669 1.00 13.34 H new ATOM 0 HB3 HIS A 15 31.897 0.620 -16.033 1.00 13.34 H new ATOM 0 HD1 HIS A 15 29.312 0.877 -14.674 1.00 4.34 H new ATOM 0 HD2 HIS A 15 30.215 3.183 -18.052 1.00 44.14 H new ATOM 0 HE1 HIS A 15 27.086 1.609 -15.659 1.00 52.11 H new ATOM 216 N PRO A 16 30.887 1.727 -12.463 1.00 12.24 N ATOM 217 CA PRO A 16 30.298 0.930 -11.382 1.00 43.03 C ATOM 218 C PRO A 16 29.093 0.121 -11.849 1.00 53.41 C ATOM 219 O PRO A 16 28.676 0.219 -13.004 1.00 34.52 O ATOM 220 CB PRO A 16 29.871 1.983 -10.357 1.00 23.04 C ATOM 221 CG PRO A 16 29.663 3.225 -11.153 1.00 25.13 C ATOM 222 CD PRO A 16 30.664 3.171 -12.274 1.00 22.53 C ATOM 0 HA PRO A 16 30.999 0.194 -10.990 1.00 43.03 H new ATOM 0 HB2 PRO A 16 28.958 1.686 -9.841 1.00 23.04 H new ATOM 0 HB3 PRO A 16 30.636 2.126 -9.594 1.00 23.04 H new ATOM 0 HG2 PRO A 16 28.645 3.274 -11.541 1.00 25.13 H new ATOM 0 HG3 PRO A 16 29.813 4.112 -10.538 1.00 25.13 H new ATOM 0 HD2 PRO A 16 30.279 3.640 -13.179 1.00 22.53 H new ATOM 0 HD3 PRO A 16 31.587 3.690 -12.014 1.00 22.53 H new ATOM 230 N THR A 17 28.535 -0.677 -10.944 1.00 61.22 N ATOM 231 CA THR A 17 27.378 -1.503 -11.263 1.00 74.25 C ATOM 232 C THR A 17 26.161 -1.085 -10.445 1.00 62.04 C ATOM 233 O THR A 17 26.236 -0.955 -9.223 1.00 21.50 O ATOM 234 CB THR A 17 27.665 -2.995 -11.009 1.00 72.14 C ATOM 235 OG1 THR A 17 28.916 -3.361 -11.602 1.00 71.02 O ATOM 236 CG2 THR A 17 26.554 -3.865 -11.579 1.00 42.41 C ATOM 0 H THR A 17 28.866 -0.768 -9.984 1.00 61.22 H new ATOM 0 HA THR A 17 27.168 -1.356 -12.322 1.00 74.25 H new ATOM 0 HB THR A 17 27.713 -3.155 -9.932 1.00 72.14 H new ATOM 0 HG1 THR A 17 29.092 -4.310 -11.435 1.00 71.02 H new ATOM 0 HG21 THR A 17 26.779 -4.914 -11.387 1.00 42.41 H new ATOM 0 HG22 THR A 17 25.608 -3.604 -11.105 1.00 42.41 H new ATOM 0 HG23 THR A 17 26.478 -3.701 -12.654 1.00 42.41 H new ATOM 244 N THR A 18 25.039 -0.875 -11.127 1.00 20.32 N ATOM 245 CA THR A 18 23.806 -0.471 -10.463 1.00 61.21 C ATOM 246 C THR A 18 22.821 -1.632 -10.379 1.00 2.30 C ATOM 247 O THR A 18 22.686 -2.413 -11.321 1.00 65.11 O ATOM 248 CB THR A 18 23.134 0.706 -11.195 1.00 32.31 C ATOM 249 OG1 THR A 18 24.125 1.644 -11.628 1.00 1.15 O ATOM 250 CG2 THR A 18 22.129 1.403 -10.290 1.00 22.21 C ATOM 0 H THR A 18 24.959 -0.978 -12.139 1.00 20.32 H new ATOM 0 HA THR A 18 24.078 -0.155 -9.456 1.00 61.21 H new ATOM 0 HB THR A 18 22.605 0.311 -12.063 1.00 32.31 H new ATOM 0 HG1 THR A 18 23.690 2.388 -12.094 1.00 1.15 H new ATOM 0 HG21 THR A 18 21.667 2.231 -10.828 1.00 22.21 H new ATOM 0 HG22 THR A 18 21.359 0.693 -9.986 1.00 22.21 H new ATOM 0 HG23 THR A 18 22.639 1.785 -9.406 1.00 22.21 H new ATOM 258 N ILE A 19 22.135 -1.738 -9.246 1.00 72.13 N ATOM 259 CA ILE A 19 21.161 -2.803 -9.041 1.00 53.21 C ATOM 260 C ILE A 19 19.881 -2.263 -8.412 1.00 73.10 C ATOM 261 O ILE A 19 19.925 -1.422 -7.513 1.00 64.04 O ATOM 262 CB ILE A 19 21.728 -3.920 -8.146 1.00 0.05 C ATOM 263 CG1 ILE A 19 22.319 -5.041 -9.003 1.00 41.55 C ATOM 264 CG2 ILE A 19 20.644 -4.464 -7.227 1.00 62.31 C ATOM 265 CD1 ILE A 19 22.541 -6.330 -8.244 1.00 52.12 C ATOM 0 H ILE A 19 22.236 -1.100 -8.457 1.00 72.13 H new ATOM 0 HA ILE A 19 20.934 -3.217 -10.024 1.00 53.21 H new ATOM 0 HB ILE A 19 22.524 -3.502 -7.530 1.00 0.05 H new ATOM 0 HG12 ILE A 19 21.653 -5.234 -9.844 1.00 41.55 H new ATOM 0 HG13 ILE A 19 23.269 -4.706 -9.420 1.00 41.55 H new ATOM 0 HG21 ILE A 19 21.060 -5.253 -6.601 1.00 62.31 H new ATOM 0 HG22 ILE A 19 20.266 -3.660 -6.595 1.00 62.31 H new ATOM 0 HG23 ILE A 19 19.828 -4.869 -7.826 1.00 62.31 H new ATOM 0 HD11 ILE A 19 22.962 -7.079 -8.915 1.00 52.12 H new ATOM 0 HD12 ILE A 19 23.231 -6.152 -7.419 1.00 52.12 H new ATOM 0 HD13 ILE A 19 21.590 -6.689 -7.850 1.00 52.12 H new ATOM 277 N CYS A 20 18.742 -2.753 -8.888 1.00 72.35 N ATOM 278 CA CYS A 20 17.448 -2.321 -8.372 1.00 31.10 C ATOM 279 C CYS A 20 16.664 -3.503 -7.811 1.00 71.13 C ATOM 280 O CYS A 20 16.312 -4.430 -8.541 1.00 32.22 O ATOM 281 CB CYS A 20 16.640 -1.634 -9.473 1.00 54.33 C ATOM 282 SG CYS A 20 16.548 -2.571 -11.017 1.00 23.44 S ATOM 0 H CYS A 20 18.688 -3.450 -9.631 1.00 72.35 H new ATOM 0 HA CYS A 20 17.626 -1.610 -7.565 1.00 31.10 H new ATOM 0 HB2 CYS A 20 15.628 -1.455 -9.108 1.00 54.33 H new ATOM 0 HB3 CYS A 20 17.082 -0.659 -9.678 1.00 54.33 H new ATOM 0 HG CYS A 20 16.425 -3.837 -10.750 1.00 23.44 H new ATOM 288 N VAL A 21 16.395 -3.465 -6.510 1.00 51.51 N ATOM 289 CA VAL A 21 15.653 -4.533 -5.851 1.00 1.42 C ATOM 290 C VAL A 21 14.702 -3.973 -4.799 1.00 0.11 C ATOM 291 O VAL A 21 14.975 -2.941 -4.185 1.00 63.22 O ATOM 292 CB VAL A 21 16.602 -5.545 -5.182 1.00 70.12 C ATOM 293 CG1 VAL A 21 17.406 -6.298 -6.232 1.00 15.42 C ATOM 294 CG2 VAL A 21 17.523 -4.841 -4.197 1.00 60.32 C ATOM 0 H VAL A 21 16.680 -2.706 -5.891 1.00 51.51 H new ATOM 0 HA VAL A 21 15.077 -5.042 -6.624 1.00 1.42 H new ATOM 0 HB VAL A 21 16.003 -6.269 -4.630 1.00 70.12 H new ATOM 0 HG11 VAL A 21 18.071 -7.008 -5.741 1.00 15.42 H new ATOM 0 HG12 VAL A 21 16.727 -6.835 -6.894 1.00 15.42 H new ATOM 0 HG13 VAL A 21 17.997 -5.591 -6.814 1.00 15.42 H new ATOM 0 HG21 VAL A 21 18.187 -5.571 -3.734 1.00 60.32 H new ATOM 0 HG22 VAL A 21 18.117 -4.094 -4.724 1.00 60.32 H new ATOM 0 HG23 VAL A 21 16.927 -4.353 -3.426 1.00 60.32 H new ATOM 304 N VAL A 22 13.583 -4.661 -4.595 1.00 0.21 N ATOM 305 CA VAL A 22 12.591 -4.234 -3.616 1.00 11.34 C ATOM 306 C VAL A 22 13.142 -4.330 -2.197 1.00 52.23 C ATOM 307 O VAL A 22 14.047 -5.117 -1.925 1.00 22.35 O ATOM 308 CB VAL A 22 11.306 -5.077 -3.714 1.00 30.33 C ATOM 309 CG1 VAL A 22 11.563 -6.500 -3.240 1.00 44.31 C ATOM 310 CG2 VAL A 22 10.184 -4.434 -2.912 1.00 24.41 C ATOM 0 H VAL A 22 13.341 -5.517 -5.095 1.00 0.21 H new ATOM 0 HA VAL A 22 12.352 -3.194 -3.841 1.00 11.34 H new ATOM 0 HB VAL A 22 10.998 -5.117 -4.759 1.00 30.33 H new ATOM 0 HG11 VAL A 22 10.644 -7.081 -3.317 1.00 44.31 H new ATOM 0 HG12 VAL A 22 12.333 -6.957 -3.861 1.00 44.31 H new ATOM 0 HG13 VAL A 22 11.896 -6.483 -2.202 1.00 44.31 H new ATOM 0 HG21 VAL A 22 9.284 -5.043 -2.993 1.00 24.41 H new ATOM 0 HG22 VAL A 22 10.480 -4.361 -1.866 1.00 24.41 H new ATOM 0 HG23 VAL A 22 9.983 -3.436 -3.302 1.00 24.41 H new ATOM 320 N MET A 23 12.589 -3.523 -1.298 1.00 35.24 N ATOM 321 CA MET A 23 13.024 -3.519 0.094 1.00 12.33 C ATOM 322 C MET A 23 12.975 -4.925 0.684 1.00 50.24 C ATOM 323 O MET A 23 13.848 -5.313 1.460 1.00 62.33 O ATOM 324 CB MET A 23 12.148 -2.576 0.922 1.00 42.43 C ATOM 325 CG MET A 23 12.455 -1.104 0.693 1.00 75.54 C ATOM 326 SD MET A 23 13.798 -0.504 1.735 1.00 60.33 S ATOM 327 CE MET A 23 15.214 -0.850 0.694 1.00 41.42 C ATOM 0 H MET A 23 11.839 -2.864 -1.508 1.00 35.24 H new ATOM 0 HA MET A 23 14.055 -3.167 0.125 1.00 12.33 H new ATOM 0 HB2 MET A 23 11.101 -2.762 0.683 1.00 42.43 H new ATOM 0 HB3 MET A 23 12.279 -2.806 1.979 1.00 42.43 H new ATOM 0 HG2 MET A 23 12.716 -0.950 -0.354 1.00 75.54 H new ATOM 0 HG3 MET A 23 11.559 -0.515 0.888 1.00 75.54 H new ATOM 0 HE1 MET A 23 15.776 -1.687 1.110 1.00 41.42 H new ATOM 0 HE2 MET A 23 14.874 -1.104 -0.310 1.00 41.42 H new ATOM 0 HE3 MET A 23 15.855 0.030 0.648 1.00 41.42 H new ATOM 337 N ASP A 24 11.950 -5.682 0.311 1.00 74.44 N ATOM 338 CA ASP A 24 11.788 -7.046 0.802 1.00 53.11 C ATOM 339 C ASP A 24 13.000 -7.900 0.444 1.00 1.12 C ATOM 340 O ASP A 24 13.428 -8.747 1.229 1.00 44.35 O ATOM 341 CB ASP A 24 10.518 -7.672 0.223 1.00 64.25 C ATOM 342 CG ASP A 24 9.333 -6.729 0.272 1.00 14.12 C ATOM 343 OD1 ASP A 24 8.868 -6.417 1.389 1.00 23.31 O ATOM 344 OD2 ASP A 24 8.870 -6.301 -0.806 1.00 35.43 O ATOM 0 H ASP A 24 11.218 -5.375 -0.330 1.00 74.44 H new ATOM 0 HA ASP A 24 11.702 -7.007 1.888 1.00 53.11 H new ATOM 0 HB2 ASP A 24 10.701 -7.968 -0.810 1.00 64.25 H new ATOM 0 HB3 ASP A 24 10.279 -8.580 0.777 1.00 64.25 H new ATOM 349 N ARG A 25 13.548 -7.672 -0.745 1.00 71.10 N ATOM 350 CA ARG A 25 14.709 -8.422 -1.208 1.00 24.15 C ATOM 351 C ARG A 25 15.993 -7.628 -0.985 1.00 22.12 C ATOM 352 O ARG A 25 17.094 -8.173 -1.066 1.00 4.22 O ATOM 353 CB ARG A 25 14.562 -8.769 -2.690 1.00 41.53 C ATOM 354 CG ARG A 25 13.407 -9.712 -2.984 1.00 13.54 C ATOM 355 CD ARG A 25 13.848 -11.166 -2.932 1.00 13.11 C ATOM 356 NE ARG A 25 13.960 -11.656 -1.561 1.00 14.45 N ATOM 357 CZ ARG A 25 14.395 -12.871 -1.247 1.00 53.13 C ATOM 358 NH1 ARG A 25 14.757 -13.715 -2.203 1.00 25.52 N ATOM 359 NH2 ARG A 25 14.468 -13.243 0.024 1.00 23.41 N ATOM 0 H ARG A 25 13.206 -6.974 -1.405 1.00 71.10 H new ATOM 0 HA ARG A 25 14.768 -9.345 -0.631 1.00 24.15 H new ATOM 0 HB2 ARG A 25 14.422 -7.849 -3.258 1.00 41.53 H new ATOM 0 HB3 ARG A 25 15.489 -9.223 -3.042 1.00 41.53 H new ATOM 0 HG2 ARG A 25 12.608 -9.547 -2.261 1.00 13.54 H new ATOM 0 HG3 ARG A 25 12.996 -9.490 -3.969 1.00 13.54 H new ATOM 0 HD2 ARG A 25 13.134 -11.781 -3.479 1.00 13.11 H new ATOM 0 HD3 ARG A 25 14.810 -11.271 -3.434 1.00 13.11 H new ATOM 0 HE ARG A 25 13.689 -11.030 -0.802 1.00 14.45 H new ATOM 0 HH11 ARG A 25 14.702 -13.432 -3.181 1.00 25.52 H new ATOM 0 HH12 ARG A 25 15.091 -14.648 -1.960 1.00 25.52 H new ATOM 0 HH21 ARG A 25 14.190 -12.596 0.762 1.00 23.41 H new ATOM 0 HH22 ARG A 25 14.802 -14.176 0.264 1.00 23.41 H new ATOM 373 N PHE A 26 15.844 -6.338 -0.704 1.00 53.23 N ATOM 374 CA PHE A 26 16.991 -5.468 -0.471 1.00 72.14 C ATOM 375 C PHE A 26 17.769 -5.913 0.764 1.00 54.13 C ATOM 376 O PHE A 26 18.999 -5.969 0.750 1.00 41.11 O ATOM 377 CB PHE A 26 16.533 -4.018 -0.304 1.00 54.24 C ATOM 378 CG PHE A 26 17.662 -3.028 -0.309 1.00 42.13 C ATOM 379 CD1 PHE A 26 18.174 -2.547 -1.504 1.00 25.33 C ATOM 380 CD2 PHE A 26 18.211 -2.578 0.880 1.00 3.53 C ATOM 381 CE1 PHE A 26 19.214 -1.637 -1.511 1.00 24.12 C ATOM 382 CE2 PHE A 26 19.251 -1.667 0.879 1.00 2.14 C ATOM 383 CZ PHE A 26 19.753 -1.195 -0.318 1.00 34.31 C ATOM 0 H PHE A 26 14.940 -5.872 -0.632 1.00 53.23 H new ATOM 0 HA PHE A 26 17.649 -5.536 -1.337 1.00 72.14 H new ATOM 0 HB2 PHE A 26 15.839 -3.770 -1.107 1.00 54.24 H new ATOM 0 HB3 PHE A 26 15.983 -3.925 0.632 1.00 54.24 H new ATOM 0 HD1 PHE A 26 17.756 -2.887 -2.440 1.00 25.33 H new ATOM 0 HD2 PHE A 26 17.822 -2.943 1.819 1.00 3.53 H new ATOM 0 HE1 PHE A 26 19.605 -1.271 -2.449 1.00 24.12 H new ATOM 0 HE2 PHE A 26 19.671 -1.325 1.813 1.00 2.14 H new ATOM 0 HZ PHE A 26 20.565 -0.482 -0.321 1.00 34.31 H new ATOM 393 N LEU A 27 17.043 -6.228 1.831 1.00 53.22 N ATOM 394 CA LEU A 27 17.663 -6.667 3.076 1.00 62.53 C ATOM 395 C LEU A 27 18.519 -7.909 2.848 1.00 23.35 C ATOM 396 O LEU A 27 19.672 -7.966 3.275 1.00 21.10 O ATOM 397 CB LEU A 27 16.592 -6.958 4.128 1.00 74.32 C ATOM 398 CG LEU A 27 17.071 -7.662 5.398 1.00 62.34 C ATOM 399 CD1 LEU A 27 16.444 -7.027 6.629 1.00 24.41 C ATOM 400 CD2 LEU A 27 16.748 -9.148 5.338 1.00 31.12 C ATOM 0 H LEU A 27 16.024 -6.188 1.859 1.00 53.22 H new ATOM 0 HA LEU A 27 18.307 -5.864 3.436 1.00 62.53 H new ATOM 0 HB2 LEU A 27 16.126 -6.015 4.413 1.00 74.32 H new ATOM 0 HB3 LEU A 27 15.816 -7.570 3.668 1.00 74.32 H new ATOM 0 HG LEU A 27 18.153 -7.549 5.468 1.00 62.34 H new ATOM 0 HD11 LEU A 27 16.797 -7.541 7.523 1.00 24.41 H new ATOM 0 HD12 LEU A 27 16.727 -5.975 6.680 1.00 24.41 H new ATOM 0 HD13 LEU A 27 15.359 -7.109 6.568 1.00 24.41 H new ATOM 0 HD21 LEU A 27 17.096 -9.633 6.250 1.00 31.12 H new ATOM 0 HD22 LEU A 27 15.670 -9.283 5.244 1.00 31.12 H new ATOM 0 HD23 LEU A 27 17.246 -9.594 4.477 1.00 31.12 H new ATOM 412 N GLU A 28 17.947 -8.901 2.172 1.00 3.41 N ATOM 413 CA GLU A 28 18.659 -10.141 1.887 1.00 4.23 C ATOM 414 C GLU A 28 19.778 -9.906 0.876 1.00 73.01 C ATOM 415 O GLU A 28 20.891 -10.405 1.039 1.00 42.14 O ATOM 416 CB GLU A 28 17.691 -11.201 1.357 1.00 5.51 C ATOM 417 CG GLU A 28 18.101 -12.624 1.698 1.00 53.41 C ATOM 418 CD GLU A 28 18.116 -12.884 3.192 1.00 63.45 C ATOM 419 OE1 GLU A 28 17.041 -13.182 3.752 1.00 13.44 O ATOM 420 OE2 GLU A 28 19.203 -12.791 3.799 1.00 31.04 O ATOM 0 H GLU A 28 16.993 -8.870 1.812 1.00 3.41 H new ATOM 0 HA GLU A 28 19.102 -10.497 2.817 1.00 4.23 H new ATOM 0 HB2 GLU A 28 16.698 -11.010 1.764 1.00 5.51 H new ATOM 0 HB3 GLU A 28 17.616 -11.103 0.274 1.00 5.51 H new ATOM 0 HG2 GLU A 28 17.414 -13.321 1.218 1.00 53.41 H new ATOM 0 HG3 GLU A 28 19.092 -12.821 1.289 1.00 53.41 H new ATOM 427 N SER A 29 19.472 -9.143 -0.169 1.00 61.40 N ATOM 428 CA SER A 29 20.449 -8.846 -1.210 1.00 0.52 C ATOM 429 C SER A 29 21.681 -8.165 -0.620 1.00 55.11 C ATOM 430 O SER A 29 22.811 -8.456 -1.010 1.00 45.00 O ATOM 431 CB SER A 29 19.825 -7.953 -2.285 1.00 33.55 C ATOM 432 OG SER A 29 18.951 -8.695 -3.118 1.00 50.22 O ATOM 0 H SER A 29 18.556 -8.720 -0.317 1.00 61.40 H new ATOM 0 HA SER A 29 20.757 -9.788 -1.664 1.00 0.52 H new ATOM 0 HB2 SER A 29 19.277 -7.138 -1.812 1.00 33.55 H new ATOM 0 HB3 SER A 29 20.612 -7.501 -2.889 1.00 33.55 H new ATOM 0 HG SER A 29 18.068 -8.753 -2.697 1.00 50.22 H new ATOM 438 N PHE A 30 21.452 -7.256 0.322 1.00 22.34 N ATOM 439 CA PHE A 30 22.542 -6.532 0.966 1.00 30.34 C ATOM 440 C PHE A 30 23.386 -7.470 1.825 1.00 72.34 C ATOM 441 O PHE A 30 24.615 -7.438 1.774 1.00 2.31 O ATOM 442 CB PHE A 30 21.988 -5.395 1.827 1.00 4.21 C ATOM 443 CG PHE A 30 22.502 -5.407 3.239 1.00 54.23 C ATOM 444 CD1 PHE A 30 23.808 -5.038 3.518 1.00 32.40 C ATOM 445 CD2 PHE A 30 21.678 -5.786 4.286 1.00 12.22 C ATOM 446 CE1 PHE A 30 24.283 -5.049 4.816 1.00 74.41 C ATOM 447 CE2 PHE A 30 22.147 -5.798 5.586 1.00 31.43 C ATOM 448 CZ PHE A 30 23.451 -5.429 5.851 1.00 11.44 C ATOM 0 H PHE A 30 20.522 -7.003 0.656 1.00 22.34 H new ATOM 0 HA PHE A 30 23.177 -6.112 0.186 1.00 30.34 H new ATOM 0 HB2 PHE A 30 22.243 -4.442 1.364 1.00 4.21 H new ATOM 0 HB3 PHE A 30 20.900 -5.460 1.844 1.00 4.21 H new ATOM 0 HD1 PHE A 30 24.462 -4.738 2.712 1.00 32.40 H new ATOM 0 HD2 PHE A 30 20.657 -6.075 4.084 1.00 12.22 H new ATOM 0 HE1 PHE A 30 25.304 -4.761 5.021 1.00 74.41 H new ATOM 0 HE2 PHE A 30 21.494 -6.096 6.394 1.00 31.43 H new ATOM 0 HZ PHE A 30 23.820 -5.438 6.866 1.00 11.44 H new ATOM 458 N SER A 31 22.716 -8.305 2.613 1.00 53.03 N ATOM 459 CA SER A 31 23.403 -9.249 3.486 1.00 73.52 C ATOM 460 C SER A 31 24.355 -10.134 2.687 1.00 41.12 C ATOM 461 O SER A 31 25.507 -10.329 3.072 1.00 44.22 O ATOM 462 CB SER A 31 22.388 -10.117 4.232 1.00 31.44 C ATOM 463 OG SER A 31 21.819 -11.090 3.373 1.00 14.21 O ATOM 0 H SER A 31 21.698 -8.347 2.665 1.00 53.03 H new ATOM 0 HA SER A 31 23.985 -8.679 4.210 1.00 73.52 H new ATOM 0 HB2 SER A 31 22.875 -10.610 5.073 1.00 31.44 H new ATOM 0 HB3 SER A 31 21.600 -9.487 4.645 1.00 31.44 H new ATOM 0 HG SER A 31 21.479 -10.654 2.564 1.00 14.21 H new ATOM 469 N GLU A 32 23.864 -10.666 1.572 1.00 33.42 N ATOM 470 CA GLU A 32 24.671 -11.531 0.719 1.00 15.02 C ATOM 471 C GLU A 32 25.693 -10.717 -0.068 1.00 62.14 C ATOM 472 O GLU A 32 26.847 -11.123 -0.214 1.00 41.25 O ATOM 473 CB GLU A 32 23.775 -12.314 -0.243 1.00 63.23 C ATOM 474 CG GLU A 32 24.432 -13.564 -0.805 1.00 21.13 C ATOM 475 CD GLU A 32 24.423 -14.719 0.177 1.00 34.44 C ATOM 476 OE1 GLU A 32 23.363 -14.972 0.787 1.00 74.22 O ATOM 477 OE2 GLU A 32 25.476 -15.371 0.336 1.00 63.00 O ATOM 0 H GLU A 32 22.912 -10.513 1.238 1.00 33.42 H new ATOM 0 HA GLU A 32 25.206 -12.233 1.358 1.00 15.02 H new ATOM 0 HB2 GLU A 32 22.859 -12.597 0.276 1.00 63.23 H new ATOM 0 HB3 GLU A 32 23.486 -11.663 -1.068 1.00 63.23 H new ATOM 0 HG2 GLU A 32 23.915 -13.863 -1.717 1.00 21.13 H new ATOM 0 HG3 GLU A 32 25.461 -13.336 -1.082 1.00 21.13 H new ATOM 484 N LEU A 33 25.262 -9.567 -0.574 1.00 70.05 N ATOM 485 CA LEU A 33 26.139 -8.695 -1.348 1.00 51.12 C ATOM 486 C LEU A 33 27.386 -8.330 -0.550 1.00 64.30 C ATOM 487 O LEU A 33 28.492 -8.293 -1.090 1.00 24.52 O ATOM 488 CB LEU A 33 25.393 -7.424 -1.760 1.00 22.25 C ATOM 489 CG LEU A 33 26.194 -6.412 -2.579 1.00 52.23 C ATOM 490 CD1 LEU A 33 27.067 -5.561 -1.671 1.00 2.52 C ATOM 491 CD2 LEU A 33 27.042 -7.123 -3.624 1.00 53.30 C ATOM 0 H LEU A 33 24.311 -9.216 -0.462 1.00 70.05 H new ATOM 0 HA LEU A 33 26.448 -9.234 -2.244 1.00 51.12 H new ATOM 0 HB2 LEU A 33 24.514 -7.713 -2.336 1.00 22.25 H new ATOM 0 HB3 LEU A 33 25.034 -6.929 -0.858 1.00 22.25 H new ATOM 0 HG LEU A 33 25.493 -5.755 -3.094 1.00 52.23 H new ATOM 0 HD11 LEU A 33 27.630 -4.847 -2.272 1.00 2.52 H new ATOM 0 HD12 LEU A 33 26.438 -5.023 -0.962 1.00 2.52 H new ATOM 0 HD13 LEU A 33 27.760 -6.203 -1.127 1.00 2.52 H new ATOM 0 HD21 LEU A 33 27.605 -6.387 -4.198 1.00 53.30 H new ATOM 0 HD22 LEU A 33 27.734 -7.804 -3.129 1.00 53.30 H new ATOM 0 HD23 LEU A 33 26.395 -7.688 -4.295 1.00 53.30 H new ATOM 503 N TYR A 34 27.201 -8.064 0.738 1.00 2.40 N ATOM 504 CA TYR A 34 28.312 -7.702 1.611 1.00 14.20 C ATOM 505 C TYR A 34 29.282 -8.868 1.770 1.00 32.43 C ATOM 506 O TYR A 34 30.486 -8.671 1.931 1.00 23.05 O ATOM 507 CB TYR A 34 27.790 -7.267 2.982 1.00 74.34 C ATOM 508 CG TYR A 34 28.875 -7.116 4.023 1.00 23.50 C ATOM 509 CD1 TYR A 34 29.582 -5.927 4.151 1.00 41.14 C ATOM 510 CD2 TYR A 34 29.195 -8.163 4.879 1.00 61.33 C ATOM 511 CE1 TYR A 34 30.575 -5.785 5.100 1.00 4.51 C ATOM 512 CE2 TYR A 34 30.186 -8.029 5.832 1.00 33.41 C ATOM 513 CZ TYR A 34 30.873 -6.838 5.939 1.00 61.32 C ATOM 514 OH TYR A 34 31.862 -6.701 6.886 1.00 34.53 O ATOM 0 H TYR A 34 26.293 -8.092 1.201 1.00 2.40 H new ATOM 0 HA TYR A 34 28.845 -6.870 1.152 1.00 14.20 H new ATOM 0 HB2 TYR A 34 27.265 -6.318 2.877 1.00 74.34 H new ATOM 0 HB3 TYR A 34 27.061 -7.998 3.332 1.00 74.34 H new ATOM 0 HD1 TYR A 34 29.351 -5.099 3.497 1.00 41.14 H new ATOM 0 HD2 TYR A 34 28.660 -9.097 4.798 1.00 61.33 H new ATOM 0 HE1 TYR A 34 31.116 -4.854 5.185 1.00 4.51 H new ATOM 0 HE2 TYR A 34 30.422 -8.853 6.490 1.00 33.41 H new ATOM 0 HH TYR A 34 31.945 -7.534 7.395 1.00 34.53 H new ATOM 524 N ASP A 35 28.748 -10.084 1.723 1.00 11.23 N ATOM 525 CA ASP A 35 29.565 -11.284 1.860 1.00 1.24 C ATOM 526 C ASP A 35 30.380 -11.534 0.595 1.00 1.33 C ATOM 527 O ASP A 35 31.481 -12.083 0.653 1.00 74.12 O ATOM 528 CB ASP A 35 28.682 -12.496 2.161 1.00 25.13 C ATOM 529 CG ASP A 35 29.024 -13.146 3.488 1.00 61.14 C ATOM 530 OD1 ASP A 35 30.228 -13.323 3.769 1.00 73.05 O ATOM 531 OD2 ASP A 35 28.088 -13.479 4.244 1.00 13.24 O ATOM 0 H ASP A 35 27.753 -10.264 1.591 1.00 11.23 H new ATOM 0 HA ASP A 35 30.255 -11.132 2.690 1.00 1.24 H new ATOM 0 HB2 ASP A 35 27.637 -12.187 2.170 1.00 25.13 H new ATOM 0 HB3 ASP A 35 28.791 -13.229 1.362 1.00 25.13 H new ATOM 536 N ILE A 36 29.832 -11.128 -0.545 1.00 41.11 N ATOM 537 CA ILE A 36 30.508 -11.308 -1.824 1.00 24.04 C ATOM 538 C ILE A 36 31.315 -10.069 -2.198 1.00 73.13 C ATOM 539 O ILE A 36 32.205 -10.129 -3.047 1.00 21.02 O ATOM 540 CB ILE A 36 29.507 -11.615 -2.952 1.00 75.42 C ATOM 541 CG1 ILE A 36 30.232 -11.713 -4.296 1.00 24.55 C ATOM 542 CG2 ILE A 36 28.425 -10.547 -3.005 1.00 75.23 C ATOM 543 CD1 ILE A 36 30.155 -10.446 -5.118 1.00 24.22 C ATOM 0 H ILE A 36 28.922 -10.672 -0.609 1.00 41.11 H new ATOM 0 HA ILE A 36 31.182 -12.157 -1.708 1.00 24.04 H new ATOM 0 HB ILE A 36 29.034 -12.575 -2.745 1.00 75.42 H new ATOM 0 HG12 ILE A 36 31.279 -11.958 -4.118 1.00 24.55 H new ATOM 0 HG13 ILE A 36 29.806 -12.536 -4.870 1.00 24.55 H new ATOM 0 HG21 ILE A 36 27.725 -10.778 -3.808 1.00 75.23 H new ATOM 0 HG22 ILE A 36 27.892 -10.522 -2.055 1.00 75.23 H new ATOM 0 HG23 ILE A 36 28.882 -9.575 -3.191 1.00 75.23 H new ATOM 0 HD11 ILE A 36 30.690 -10.588 -6.057 1.00 24.22 H new ATOM 0 HD12 ILE A 36 29.111 -10.211 -5.327 1.00 24.22 H new ATOM 0 HD13 ILE A 36 30.608 -9.624 -4.563 1.00 24.22 H new ATOM 555 N ILE A 37 30.998 -8.948 -1.559 1.00 72.22 N ATOM 556 CA ILE A 37 31.695 -7.696 -1.823 1.00 51.44 C ATOM 557 C ILE A 37 33.184 -7.820 -1.519 1.00 71.54 C ATOM 558 O ILE A 37 33.991 -7.008 -1.971 1.00 55.45 O ATOM 559 CB ILE A 37 31.108 -6.539 -0.993 1.00 41.21 C ATOM 560 CG1 ILE A 37 31.487 -5.193 -1.614 1.00 52.24 C ATOM 561 CG2 ILE A 37 31.595 -6.620 0.446 1.00 11.20 C ATOM 562 CD1 ILE A 37 30.754 -4.895 -2.904 1.00 12.24 C ATOM 0 H ILE A 37 30.263 -8.881 -0.855 1.00 72.22 H new ATOM 0 HA ILE A 37 31.560 -7.478 -2.882 1.00 51.44 H new ATOM 0 HB ILE A 37 30.021 -6.625 -0.994 1.00 41.21 H new ATOM 0 HG12 ILE A 37 31.280 -4.399 -0.896 1.00 52.24 H new ATOM 0 HG13 ILE A 37 32.560 -5.179 -1.804 1.00 52.24 H new ATOM 0 HG21 ILE A 37 31.172 -5.796 1.020 1.00 11.20 H new ATOM 0 HG22 ILE A 37 31.280 -7.567 0.884 1.00 11.20 H new ATOM 0 HG23 ILE A 37 32.683 -6.555 0.466 1.00 11.20 H new ATOM 0 HD11 ILE A 37 31.072 -3.926 -3.288 1.00 12.24 H new ATOM 0 HD12 ILE A 37 30.981 -5.668 -3.638 1.00 12.24 H new ATOM 0 HD13 ILE A 37 29.680 -4.877 -2.717 1.00 12.24 H new ATOM 574 N ASP A 38 33.542 -8.844 -0.752 1.00 74.44 N ATOM 575 CA ASP A 38 34.935 -9.078 -0.390 1.00 34.30 C ATOM 576 C ASP A 38 35.751 -9.493 -1.610 1.00 3.30 C ATOM 577 O ASP A 38 36.977 -9.382 -1.615 1.00 12.44 O ATOM 578 CB ASP A 38 35.028 -10.155 0.692 1.00 65.31 C ATOM 579 CG ASP A 38 36.452 -10.622 0.922 1.00 63.52 C ATOM 580 OD1 ASP A 38 37.151 -10.008 1.755 1.00 64.40 O ATOM 581 OD2 ASP A 38 36.867 -11.603 0.269 1.00 2.22 O ATOM 0 H ASP A 38 32.887 -9.525 -0.369 1.00 74.44 H new ATOM 0 HA ASP A 38 35.346 -8.146 -0.001 1.00 34.30 H new ATOM 0 HB2 ASP A 38 34.621 -9.765 1.625 1.00 65.31 H new ATOM 0 HB3 ASP A 38 34.411 -11.007 0.407 1.00 65.31 H new ATOM 586 N GLU A 39 35.063 -9.972 -2.642 1.00 2.53 N ATOM 587 CA GLU A 39 35.726 -10.404 -3.866 1.00 60.33 C ATOM 588 C GLU A 39 36.132 -9.205 -4.718 1.00 63.11 C ATOM 589 O GLU A 39 35.829 -8.061 -4.382 1.00 63.05 O ATOM 590 CB GLU A 39 34.808 -11.327 -4.671 1.00 22.45 C ATOM 591 CG GLU A 39 34.982 -12.800 -4.338 1.00 5.44 C ATOM 592 CD GLU A 39 36.255 -13.383 -4.921 1.00 12.00 C ATOM 593 OE1 GLU A 39 36.616 -13.004 -6.055 1.00 24.45 O ATOM 594 OE2 GLU A 39 36.889 -14.218 -4.243 1.00 31.41 O ATOM 0 H GLU A 39 34.048 -10.070 -2.654 1.00 2.53 H new ATOM 0 HA GLU A 39 36.626 -10.951 -3.587 1.00 60.33 H new ATOM 0 HB2 GLU A 39 33.771 -11.042 -4.490 1.00 22.45 H new ATOM 0 HB3 GLU A 39 34.999 -11.178 -5.734 1.00 22.45 H new ATOM 0 HG2 GLU A 39 34.992 -12.925 -3.255 1.00 5.44 H new ATOM 0 HG3 GLU A 39 34.125 -13.358 -4.716 1.00 5.44 H new ATOM 601 N ASN A 40 36.821 -9.477 -5.822 1.00 0.12 N ATOM 602 CA ASN A 40 37.270 -8.421 -6.722 1.00 5.12 C ATOM 603 C ASN A 40 37.215 -8.884 -8.174 1.00 55.24 C ATOM 604 O ASN A 40 37.790 -8.252 -9.061 1.00 21.04 O ATOM 605 CB ASN A 40 38.695 -7.991 -6.366 1.00 63.32 C ATOM 606 CG ASN A 40 39.086 -6.683 -7.026 1.00 2.24 C ATOM 607 OD1 ASN A 40 38.385 -5.679 -6.902 1.00 55.22 O ATOM 608 ND2 ASN A 40 40.211 -6.689 -7.731 1.00 43.10 N ATOM 0 H ASN A 40 37.080 -10.419 -6.114 1.00 0.12 H new ATOM 0 HA ASN A 40 36.600 -7.569 -6.605 1.00 5.12 H new ATOM 0 HB2 ASN A 40 38.781 -7.889 -5.284 1.00 63.32 H new ATOM 0 HB3 ASN A 40 39.393 -8.771 -6.669 1.00 63.32 H new ATOM 0 HD21 ASN A 40 40.525 -5.838 -8.197 1.00 43.10 H new ATOM 0 HD22 ASN A 40 40.761 -7.545 -7.807 1.00 43.10 H new ATOM 615 N ASP A 41 36.517 -9.990 -8.411 1.00 3.53 N ATOM 616 CA ASP A 41 36.384 -10.537 -9.756 1.00 1.22 C ATOM 617 C ASP A 41 35.108 -10.034 -10.423 1.00 73.01 C ATOM 618 O ASP A 41 34.045 -9.988 -9.802 1.00 23.42 O ATOM 619 CB ASP A 41 36.382 -12.066 -9.710 1.00 2.53 C ATOM 620 CG ASP A 41 37.767 -12.652 -9.902 1.00 72.32 C ATOM 621 OD1 ASP A 41 38.389 -12.374 -10.949 1.00 3.14 O ATOM 622 OD2 ASP A 41 38.228 -13.389 -9.006 1.00 62.20 O ATOM 0 H ASP A 41 36.035 -10.525 -7.689 1.00 3.53 H new ATOM 0 HA ASP A 41 37.237 -10.200 -10.345 1.00 1.22 H new ATOM 0 HB2 ASP A 41 35.980 -12.397 -8.753 1.00 2.53 H new ATOM 0 HB3 ASP A 41 35.718 -12.449 -10.485 1.00 2.53 H new ATOM 627 N THR A 42 35.219 -9.656 -11.693 1.00 0.12 N ATOM 628 CA THR A 42 34.075 -9.154 -12.444 1.00 23.31 C ATOM 629 C THR A 42 33.095 -10.276 -12.767 1.00 14.24 C ATOM 630 O THR A 42 31.889 -10.048 -12.872 1.00 63.13 O ATOM 631 CB THR A 42 34.517 -8.481 -13.757 1.00 1.42 C ATOM 632 OG1 THR A 42 35.165 -9.436 -14.604 1.00 73.20 O ATOM 633 CG2 THR A 42 35.461 -7.320 -13.479 1.00 33.23 C ATOM 0 H THR A 42 36.090 -9.688 -12.223 1.00 0.12 H new ATOM 0 HA THR A 42 33.582 -8.414 -11.813 1.00 23.31 H new ATOM 0 HB THR A 42 33.629 -8.095 -14.258 1.00 1.42 H new ATOM 0 HG1 THR A 42 35.441 -9.000 -15.437 1.00 73.20 H new ATOM 0 HG21 THR A 42 35.760 -6.860 -14.421 1.00 33.23 H new ATOM 0 HG22 THR A 42 34.955 -6.580 -12.859 1.00 33.23 H new ATOM 0 HG23 THR A 42 36.345 -7.687 -12.958 1.00 33.23 H new ATOM 641 N ASP A 43 33.618 -11.487 -12.921 1.00 43.23 N ATOM 642 CA ASP A 43 32.788 -12.645 -13.230 1.00 71.22 C ATOM 643 C ASP A 43 31.855 -12.970 -12.068 1.00 71.40 C ATOM 644 O ASP A 43 30.658 -13.186 -12.261 1.00 22.15 O ATOM 645 CB ASP A 43 33.665 -13.857 -13.551 1.00 55.33 C ATOM 646 CG ASP A 43 32.859 -15.035 -14.061 1.00 72.41 C ATOM 647 OD1 ASP A 43 32.233 -14.906 -15.134 1.00 64.31 O ATOM 648 OD2 ASP A 43 32.853 -16.087 -13.387 1.00 0.22 O ATOM 0 H ASP A 43 34.614 -11.692 -12.837 1.00 43.23 H new ATOM 0 HA ASP A 43 32.181 -12.404 -14.103 1.00 71.22 H new ATOM 0 HB2 ASP A 43 34.407 -13.577 -14.299 1.00 55.33 H new ATOM 0 HB3 ASP A 43 34.211 -14.154 -12.656 1.00 55.33 H new ATOM 653 N VAL A 44 32.411 -13.005 -10.861 1.00 71.21 N ATOM 654 CA VAL A 44 31.629 -13.304 -9.667 1.00 70.24 C ATOM 655 C VAL A 44 30.670 -12.165 -9.339 1.00 61.41 C ATOM 656 O VAL A 44 29.536 -12.397 -8.922 1.00 13.41 O ATOM 657 CB VAL A 44 32.538 -13.562 -8.451 1.00 70.21 C ATOM 658 CG1 VAL A 44 33.417 -12.352 -8.175 1.00 13.23 C ATOM 659 CG2 VAL A 44 31.704 -13.916 -7.229 1.00 22.30 C ATOM 0 H VAL A 44 33.400 -12.830 -10.684 1.00 71.21 H new ATOM 0 HA VAL A 44 31.057 -14.207 -9.881 1.00 70.24 H new ATOM 0 HB VAL A 44 33.187 -14.408 -8.677 1.00 70.21 H new ATOM 0 HG11 VAL A 44 34.052 -12.553 -7.312 1.00 13.23 H new ATOM 0 HG12 VAL A 44 34.041 -12.149 -9.046 1.00 13.23 H new ATOM 0 HG13 VAL A 44 32.789 -11.485 -7.969 1.00 13.23 H new ATOM 0 HG21 VAL A 44 32.362 -14.095 -6.379 1.00 22.30 H new ATOM 0 HG22 VAL A 44 31.029 -13.092 -6.998 1.00 22.30 H new ATOM 0 HG23 VAL A 44 31.122 -14.815 -7.433 1.00 22.30 H new ATOM 669 N MET A 45 31.134 -10.935 -9.531 1.00 11.22 N ATOM 670 CA MET A 45 30.316 -9.759 -9.256 1.00 41.04 C ATOM 671 C MET A 45 29.186 -9.633 -10.274 1.00 23.14 C ATOM 672 O MET A 45 28.042 -9.360 -9.913 1.00 10.50 O ATOM 673 CB MET A 45 31.179 -8.496 -9.276 1.00 13.40 C ATOM 674 CG MET A 45 31.452 -7.925 -7.894 1.00 23.12 C ATOM 675 SD MET A 45 31.711 -6.141 -7.918 1.00 1.24 S ATOM 676 CE MET A 45 30.022 -5.552 -7.828 1.00 72.40 C ATOM 0 H MET A 45 32.071 -10.726 -9.876 1.00 11.22 H new ATOM 0 HA MET A 45 29.877 -9.875 -8.265 1.00 41.04 H new ATOM 0 HB2 MET A 45 32.129 -8.722 -9.761 1.00 13.40 H new ATOM 0 HB3 MET A 45 30.684 -7.737 -9.882 1.00 13.40 H new ATOM 0 HG2 MET A 45 30.614 -8.158 -7.237 1.00 23.12 H new ATOM 0 HG3 MET A 45 32.332 -8.410 -7.472 1.00 23.12 H new ATOM 0 HE1 MET A 45 30.005 -4.565 -7.365 1.00 72.40 H new ATOM 0 HE2 MET A 45 29.605 -5.489 -8.833 1.00 72.40 H new ATOM 0 HE3 MET A 45 29.427 -6.243 -7.231 1.00 72.40 H new ATOM 686 N MET A 46 29.516 -9.834 -11.545 1.00 72.32 N ATOM 687 CA MET A 46 28.528 -9.744 -12.614 1.00 14.02 C ATOM 688 C MET A 46 27.511 -10.876 -12.511 1.00 35.21 C ATOM 689 O MET A 46 26.324 -10.683 -12.776 1.00 71.24 O ATOM 690 CB MET A 46 29.216 -9.784 -13.979 1.00 64.13 C ATOM 691 CG MET A 46 29.662 -11.177 -14.395 1.00 11.25 C ATOM 692 SD MET A 46 30.392 -11.210 -16.043 1.00 75.00 S ATOM 693 CE MET A 46 31.854 -10.208 -15.786 1.00 72.13 C ATOM 0 H MET A 46 30.459 -10.060 -11.860 1.00 72.32 H new ATOM 0 HA MET A 46 28.002 -8.795 -12.509 1.00 14.02 H new ATOM 0 HB2 MET A 46 28.534 -9.390 -14.732 1.00 64.13 H new ATOM 0 HB3 MET A 46 30.084 -9.125 -13.959 1.00 64.13 H new ATOM 0 HG2 MET A 46 30.387 -11.553 -13.673 1.00 11.25 H new ATOM 0 HG3 MET A 46 28.806 -11.851 -14.367 1.00 11.25 H new ATOM 0 HE1 MET A 46 32.174 -9.781 -16.736 1.00 72.13 H new ATOM 0 HE2 MET A 46 31.626 -9.405 -15.085 1.00 72.13 H new ATOM 0 HE3 MET A 46 32.653 -10.828 -15.380 1.00 72.13 H new ATOM 703 N ASP A 47 27.983 -12.056 -12.125 1.00 33.25 N ATOM 704 CA ASP A 47 27.114 -13.219 -11.986 1.00 31.21 C ATOM 705 C ASP A 47 26.167 -13.052 -10.801 1.00 64.33 C ATOM 706 O ASP A 47 24.986 -13.388 -10.885 1.00 72.12 O ATOM 707 CB ASP A 47 27.949 -14.489 -11.812 1.00 42.43 C ATOM 708 CG ASP A 47 28.293 -15.141 -13.137 1.00 31.11 C ATOM 709 OD1 ASP A 47 27.358 -15.458 -13.902 1.00 23.12 O ATOM 710 OD2 ASP A 47 29.497 -15.336 -13.408 1.00 55.33 O ATOM 0 H ASP A 47 28.963 -12.233 -11.903 1.00 33.25 H new ATOM 0 HA ASP A 47 26.518 -13.307 -12.895 1.00 31.21 H new ATOM 0 HB2 ASP A 47 28.869 -14.246 -11.280 1.00 42.43 H new ATOM 0 HB3 ASP A 47 27.401 -15.199 -11.192 1.00 42.43 H new ATOM 715 N PHE A 48 26.695 -12.532 -9.698 1.00 33.42 N ATOM 716 CA PHE A 48 25.897 -12.323 -8.495 1.00 4.11 C ATOM 717 C PHE A 48 24.931 -11.157 -8.680 1.00 15.15 C ATOM 718 O PHE A 48 23.755 -11.249 -8.323 1.00 5.00 O ATOM 719 CB PHE A 48 26.808 -12.060 -7.294 1.00 13.15 C ATOM 720 CG PHE A 48 26.066 -11.617 -6.065 1.00 11.30 C ATOM 721 CD1 PHE A 48 25.763 -10.279 -5.867 1.00 72.33 C ATOM 722 CD2 PHE A 48 25.672 -12.538 -5.108 1.00 2.35 C ATOM 723 CE1 PHE A 48 25.080 -9.868 -4.738 1.00 30.20 C ATOM 724 CE2 PHE A 48 24.989 -12.133 -3.977 1.00 12.44 C ATOM 725 CZ PHE A 48 24.693 -10.796 -3.791 1.00 24.10 C ATOM 0 H PHE A 48 27.671 -12.248 -9.612 1.00 33.42 H new ATOM 0 HA PHE A 48 25.316 -13.227 -8.311 1.00 4.11 H new ATOM 0 HB2 PHE A 48 27.365 -12.968 -7.065 1.00 13.15 H new ATOM 0 HB3 PHE A 48 27.539 -11.297 -7.562 1.00 13.15 H new ATOM 0 HD1 PHE A 48 26.064 -9.549 -6.604 1.00 72.33 H new ATOM 0 HD2 PHE A 48 25.901 -13.584 -5.247 1.00 2.35 H new ATOM 0 HE1 PHE A 48 24.849 -8.823 -4.596 1.00 30.20 H new ATOM 0 HE2 PHE A 48 24.687 -12.861 -3.239 1.00 12.44 H new ATOM 0 HZ PHE A 48 24.160 -10.477 -2.907 1.00 24.10 H new ATOM 735 N ILE A 49 25.434 -10.062 -9.238 1.00 51.51 N ATOM 736 CA ILE A 49 24.616 -8.878 -9.471 1.00 15.04 C ATOM 737 C ILE A 49 23.459 -9.186 -10.415 1.00 72.41 C ATOM 738 O ILE A 49 22.308 -8.852 -10.134 1.00 1.13 O ATOM 739 CB ILE A 49 25.449 -7.724 -10.058 1.00 1.44 C ATOM 740 CG1 ILE A 49 25.942 -6.802 -8.940 1.00 62.11 C ATOM 741 CG2 ILE A 49 24.630 -6.942 -11.073 1.00 54.23 C ATOM 742 CD1 ILE A 49 26.961 -7.450 -8.028 1.00 52.43 C ATOM 0 H ILE A 49 26.405 -9.970 -9.538 1.00 51.51 H new ATOM 0 HA ILE A 49 24.220 -8.573 -8.502 1.00 15.04 H new ATOM 0 HB ILE A 49 26.317 -8.144 -10.567 1.00 1.44 H new ATOM 0 HG12 ILE A 49 26.380 -5.908 -9.384 1.00 62.11 H new ATOM 0 HG13 ILE A 49 25.088 -6.477 -8.345 1.00 62.11 H new ATOM 0 HG21 ILE A 49 25.233 -6.130 -11.479 1.00 54.23 H new ATOM 0 HG22 ILE A 49 24.323 -7.605 -11.882 1.00 54.23 H new ATOM 0 HG23 ILE A 49 23.746 -6.530 -10.587 1.00 54.23 H new ATOM 0 HD11 ILE A 49 27.266 -6.739 -7.260 1.00 52.43 H new ATOM 0 HD12 ILE A 49 26.520 -8.328 -7.556 1.00 52.43 H new ATOM 0 HD13 ILE A 49 27.832 -7.750 -8.611 1.00 52.43 H new ATOM 754 N SER A 50 23.772 -9.828 -11.536 1.00 63.02 N ATOM 755 CA SER A 50 22.759 -10.180 -12.524 1.00 63.50 C ATOM 756 C SER A 50 21.769 -11.189 -11.950 1.00 54.02 C ATOM 757 O SER A 50 20.570 -11.124 -12.225 1.00 43.21 O ATOM 758 CB SER A 50 23.419 -10.754 -13.780 1.00 32.24 C ATOM 759 OG SER A 50 22.563 -10.639 -14.903 1.00 40.02 O ATOM 0 H SER A 50 24.719 -10.115 -11.783 1.00 63.02 H new ATOM 0 HA SER A 50 22.215 -9.274 -12.790 1.00 63.50 H new ATOM 0 HB2 SER A 50 24.354 -10.229 -13.976 1.00 32.24 H new ATOM 0 HB3 SER A 50 23.670 -11.802 -13.616 1.00 32.24 H new ATOM 0 HG SER A 50 23.008 -11.011 -15.693 1.00 40.02 H new ATOM 765 N ARG A 51 22.278 -12.121 -11.152 1.00 4.14 N ATOM 766 CA ARG A 51 21.440 -13.144 -10.539 1.00 71.44 C ATOM 767 C ARG A 51 20.571 -12.547 -9.436 1.00 61.32 C ATOM 768 O ARG A 51 19.464 -13.021 -9.179 1.00 1.44 O ATOM 769 CB ARG A 51 22.306 -14.269 -9.969 1.00 33.22 C ATOM 770 CG ARG A 51 21.503 -15.446 -9.438 1.00 4.23 C ATOM 771 CD ARG A 51 20.707 -16.121 -10.543 1.00 70.31 C ATOM 772 NE ARG A 51 20.377 -17.505 -10.213 1.00 20.12 N ATOM 773 CZ ARG A 51 19.651 -18.294 -10.996 1.00 75.51 C ATOM 774 NH1 ARG A 51 19.181 -17.839 -12.149 1.00 60.14 N ATOM 775 NH2 ARG A 51 19.393 -19.543 -10.626 1.00 52.55 N ATOM 0 H ARG A 51 23.268 -12.189 -10.915 1.00 4.14 H new ATOM 0 HA ARG A 51 20.787 -13.553 -11.310 1.00 71.44 H new ATOM 0 HB2 ARG A 51 22.984 -14.623 -10.746 1.00 33.22 H new ATOM 0 HB3 ARG A 51 22.924 -13.869 -9.165 1.00 33.22 H new ATOM 0 HG2 ARG A 51 22.176 -16.170 -8.979 1.00 4.23 H new ATOM 0 HG3 ARG A 51 20.824 -15.102 -8.657 1.00 4.23 H new ATOM 0 HD2 ARG A 51 19.788 -15.562 -10.721 1.00 70.31 H new ATOM 0 HD3 ARG A 51 21.280 -16.096 -11.470 1.00 70.31 H new ATOM 0 HE ARG A 51 20.723 -17.886 -9.333 1.00 20.12 H new ATOM 0 HH11 ARG A 51 19.377 -16.880 -12.437 1.00 60.14 H new ATOM 0 HH12 ARG A 51 18.624 -18.448 -12.748 1.00 60.14 H new ATOM 0 HH21 ARG A 51 19.753 -19.897 -9.740 1.00 52.55 H new ATOM 0 HH22 ARG A 51 18.835 -20.148 -11.228 1.00 52.55 H new ATOM 789 N PHE A 52 21.081 -11.505 -8.788 1.00 33.45 N ATOM 790 CA PHE A 52 20.352 -10.844 -7.711 1.00 24.30 C ATOM 791 C PHE A 52 19.521 -9.684 -8.250 1.00 11.35 C ATOM 792 O PHE A 52 18.670 -9.138 -7.548 1.00 52.00 O ATOM 793 CB PHE A 52 21.325 -10.338 -6.644 1.00 44.44 C ATOM 794 CG PHE A 52 21.563 -11.321 -5.534 1.00 63.03 C ATOM 795 CD1 PHE A 52 21.847 -12.648 -5.815 1.00 41.22 C ATOM 796 CD2 PHE A 52 21.502 -10.919 -4.210 1.00 5.32 C ATOM 797 CE1 PHE A 52 22.067 -13.555 -4.796 1.00 71.30 C ATOM 798 CE2 PHE A 52 21.722 -11.822 -3.187 1.00 12.55 C ATOM 799 CZ PHE A 52 22.003 -13.142 -3.480 1.00 1.41 C ATOM 0 H PHE A 52 21.995 -11.100 -8.989 1.00 33.45 H new ATOM 0 HA PHE A 52 19.678 -11.572 -7.261 1.00 24.30 H new ATOM 0 HB2 PHE A 52 22.278 -10.099 -7.117 1.00 44.44 H new ATOM 0 HB3 PHE A 52 20.937 -9.411 -6.221 1.00 44.44 H new ATOM 0 HD1 PHE A 52 21.897 -12.977 -6.842 1.00 41.22 H new ATOM 0 HD2 PHE A 52 21.280 -9.889 -3.974 1.00 5.32 H new ATOM 0 HE1 PHE A 52 22.289 -14.586 -5.029 1.00 71.30 H new ATOM 0 HE2 PHE A 52 21.674 -11.495 -2.159 1.00 12.55 H new ATOM 0 HZ PHE A 52 22.172 -13.850 -2.682 1.00 1.41 H new ATOM 809 N ALA A 53 19.775 -9.312 -9.500 1.00 10.21 N ATOM 810 CA ALA A 53 19.050 -8.218 -10.134 1.00 11.33 C ATOM 811 C ALA A 53 17.870 -8.739 -10.946 1.00 74.23 C ATOM 812 O ALA A 53 17.908 -9.853 -11.470 1.00 41.31 O ATOM 813 CB ALA A 53 19.985 -7.407 -11.019 1.00 25.34 C ATOM 0 H ALA A 53 20.478 -9.752 -10.094 1.00 10.21 H new ATOM 0 HA ALA A 53 18.659 -7.571 -9.348 1.00 11.33 H new ATOM 0 HB1 ALA A 53 19.430 -6.594 -11.486 1.00 25.34 H new ATOM 0 HB2 ALA A 53 20.792 -6.995 -10.414 1.00 25.34 H new ATOM 0 HB3 ALA A 53 20.404 -8.051 -11.792 1.00 25.34 H new ATOM 819 N ARG A 54 16.822 -7.928 -11.047 1.00 12.13 N ATOM 820 CA ARG A 54 15.629 -8.309 -11.794 1.00 44.01 C ATOM 821 C ARG A 54 15.262 -7.236 -12.815 1.00 15.13 C ATOM 822 O ARG A 54 15.140 -6.058 -12.477 1.00 42.35 O ATOM 823 CB ARG A 54 14.457 -8.544 -10.840 1.00 51.10 C ATOM 824 CG ARG A 54 14.701 -9.661 -9.838 1.00 40.24 C ATOM 825 CD ARG A 54 14.441 -11.027 -10.453 1.00 64.14 C ATOM 826 NE ARG A 54 14.707 -12.111 -9.511 1.00 44.13 N ATOM 827 CZ ARG A 54 14.558 -13.397 -9.809 1.00 14.30 C ATOM 828 NH1 ARG A 54 14.146 -13.757 -11.017 1.00 24.53 N ATOM 829 NH2 ARG A 54 14.820 -14.325 -8.898 1.00 12.13 N ATOM 0 H ARG A 54 16.775 -7.003 -10.621 1.00 12.13 H new ATOM 0 HA ARG A 54 15.845 -9.235 -12.327 1.00 44.01 H new ATOM 0 HB2 ARG A 54 14.250 -7.621 -10.299 1.00 51.10 H new ATOM 0 HB3 ARG A 54 13.566 -8.779 -11.423 1.00 51.10 H new ATOM 0 HG2 ARG A 54 15.729 -9.612 -9.480 1.00 40.24 H new ATOM 0 HG3 ARG A 54 14.055 -9.522 -8.972 1.00 40.24 H new ATOM 0 HD2 ARG A 54 13.405 -11.083 -10.787 1.00 64.14 H new ATOM 0 HD3 ARG A 54 15.068 -11.152 -11.336 1.00 64.14 H new ATOM 0 HE ARG A 54 15.025 -11.867 -8.573 1.00 44.13 H new ATOM 0 HH11 ARG A 54 13.943 -13.046 -11.719 1.00 24.53 H new ATOM 0 HH12 ARG A 54 14.032 -14.745 -11.244 1.00 24.53 H new ATOM 0 HH21 ARG A 54 15.136 -14.051 -7.968 1.00 12.13 H new ATOM 0 HH22 ARG A 54 14.705 -15.312 -9.128 1.00 12.13 H new ATOM 843 N THR A 55 15.085 -7.651 -14.065 1.00 65.33 N ATOM 844 CA THR A 55 14.733 -6.727 -15.135 1.00 44.34 C ATOM 845 C THR A 55 13.263 -6.332 -15.059 1.00 50.13 C ATOM 846 O THR A 55 12.485 -6.619 -15.969 1.00 63.43 O ATOM 847 CB THR A 55 15.018 -7.336 -16.521 1.00 25.20 C ATOM 848 OG1 THR A 55 14.151 -8.451 -16.754 1.00 31.45 O ATOM 849 CG2 THR A 55 16.468 -7.784 -16.627 1.00 63.41 C ATOM 0 H THR A 55 15.180 -8.622 -14.361 1.00 65.33 H new ATOM 0 HA THR A 55 15.352 -5.840 -15.002 1.00 44.34 H new ATOM 0 HB THR A 55 14.835 -6.570 -17.275 1.00 25.20 H new ATOM 0 HG1 THR A 55 13.218 -8.152 -16.724 1.00 31.45 H new ATOM 0 HG21 THR A 55 16.646 -8.211 -17.614 1.00 63.41 H new ATOM 0 HG22 THR A 55 17.125 -6.927 -16.478 1.00 63.41 H new ATOM 0 HG23 THR A 55 16.673 -8.535 -15.865 1.00 63.41 H new ATOM 857 N ASP A 56 12.888 -5.671 -13.969 1.00 64.43 N ATOM 858 CA ASP A 56 11.510 -5.235 -13.775 1.00 64.24 C ATOM 859 C ASP A 56 11.448 -3.734 -13.513 1.00 14.30 C ATOM 860 O ASP A 56 12.467 -3.045 -13.547 1.00 30.52 O ATOM 861 CB ASP A 56 10.871 -5.996 -12.613 1.00 10.23 C ATOM 862 CG ASP A 56 9.501 -6.542 -12.962 1.00 73.32 C ATOM 863 OD1 ASP A 56 9.386 -7.248 -13.987 1.00 4.52 O ATOM 864 OD2 ASP A 56 8.543 -6.266 -12.211 1.00 13.52 O ATOM 0 H ASP A 56 13.519 -5.425 -13.206 1.00 64.43 H new ATOM 0 HA ASP A 56 10.954 -5.449 -14.688 1.00 64.24 H new ATOM 0 HB2 ASP A 56 11.523 -6.819 -12.319 1.00 10.23 H new ATOM 0 HB3 ASP A 56 10.786 -5.334 -11.752 1.00 10.23 H new ATOM 869 N GLU A 57 10.244 -3.233 -13.253 1.00 33.32 N ATOM 870 CA GLU A 57 10.049 -1.813 -12.987 1.00 12.11 C ATOM 871 C GLU A 57 9.112 -1.605 -11.800 1.00 60.13 C ATOM 872 O GLU A 57 8.780 -2.551 -11.085 1.00 42.01 O ATOM 873 CB GLU A 57 9.485 -1.112 -14.225 1.00 32.33 C ATOM 874 CG GLU A 57 8.035 -1.463 -14.515 1.00 1.41 C ATOM 875 CD GLU A 57 7.666 -1.258 -15.971 1.00 73.13 C ATOM 876 OE1 GLU A 57 7.544 -0.090 -16.395 1.00 3.22 O ATOM 877 OE2 GLU A 57 7.498 -2.268 -16.688 1.00 3.55 O ATOM 0 H GLU A 57 9.390 -3.789 -13.221 1.00 33.32 H new ATOM 0 HA GLU A 57 11.019 -1.379 -12.743 1.00 12.11 H new ATOM 0 HB2 GLU A 57 9.569 -0.033 -14.092 1.00 32.33 H new ATOM 0 HB3 GLU A 57 10.094 -1.375 -15.090 1.00 32.33 H new ATOM 0 HG2 GLU A 57 7.855 -2.503 -14.241 1.00 1.41 H new ATOM 0 HG3 GLU A 57 7.385 -0.851 -13.890 1.00 1.41 H new ATOM 884 N ILE A 58 8.690 -0.361 -11.598 1.00 24.53 N ATOM 885 CA ILE A 58 7.792 -0.029 -10.499 1.00 21.40 C ATOM 886 C ILE A 58 6.401 0.324 -11.014 1.00 11.01 C ATOM 887 O ILE A 58 6.255 1.125 -11.937 1.00 33.40 O ATOM 888 CB ILE A 58 8.333 1.147 -9.666 1.00 10.44 C ATOM 889 CG1 ILE A 58 9.218 2.048 -10.529 1.00 43.14 C ATOM 890 CG2 ILE A 58 9.107 0.632 -8.462 1.00 1.14 C ATOM 891 CD1 ILE A 58 8.462 2.769 -11.623 1.00 61.23 C ATOM 0 H ILE A 58 8.956 0.433 -12.181 1.00 24.53 H new ATOM 0 HA ILE A 58 7.728 -0.913 -9.865 1.00 21.40 H new ATOM 0 HB ILE A 58 7.489 1.736 -9.306 1.00 10.44 H new ATOM 0 HG12 ILE A 58 9.706 2.784 -9.890 1.00 43.14 H new ATOM 0 HG13 ILE A 58 10.006 1.445 -10.980 1.00 43.14 H new ATOM 0 HG21 ILE A 58 9.483 1.476 -7.883 1.00 1.14 H new ATOM 0 HG22 ILE A 58 8.449 0.028 -7.837 1.00 1.14 H new ATOM 0 HG23 ILE A 58 9.945 0.023 -8.801 1.00 1.14 H new ATOM 0 HD11 ILE A 58 9.153 3.389 -12.195 1.00 61.23 H new ATOM 0 HD12 ILE A 58 7.996 2.039 -12.285 1.00 61.23 H new ATOM 0 HD13 ILE A 58 7.691 3.399 -11.178 1.00 61.23 H new ATOM 903 N MET A 59 5.382 -0.277 -10.409 1.00 73.42 N ATOM 904 CA MET A 59 4.001 -0.024 -10.805 1.00 2.42 C ATOM 905 C MET A 59 3.527 1.329 -10.284 1.00 54.44 C ATOM 906 O MET A 59 4.125 1.920 -9.385 1.00 33.02 O ATOM 907 CB MET A 59 3.086 -1.133 -10.283 1.00 64.31 C ATOM 908 CG MET A 59 2.615 -2.091 -11.365 1.00 61.31 C ATOM 909 SD MET A 59 1.146 -3.018 -10.881 1.00 1.24 S ATOM 910 CE MET A 59 1.890 -4.463 -10.129 1.00 21.15 C ATOM 0 H MET A 59 5.486 -0.942 -9.643 1.00 73.42 H new ATOM 0 HA MET A 59 3.958 -0.011 -11.894 1.00 2.42 H new ATOM 0 HB2 MET A 59 3.614 -1.697 -9.514 1.00 64.31 H new ATOM 0 HB3 MET A 59 2.217 -0.681 -9.806 1.00 64.31 H new ATOM 0 HG2 MET A 59 2.402 -1.529 -12.275 1.00 61.31 H new ATOM 0 HG3 MET A 59 3.418 -2.789 -11.602 1.00 61.31 H new ATOM 0 HE1 MET A 59 1.107 -5.135 -9.778 1.00 21.15 H new ATOM 0 HE2 MET A 59 2.508 -4.978 -10.864 1.00 21.15 H new ATOM 0 HE3 MET A 59 2.509 -4.156 -9.286 1.00 21.15 H new ATOM 920 N PRO A 60 2.426 1.834 -10.862 1.00 61.21 N ATOM 921 CA PRO A 60 1.847 3.123 -10.472 1.00 22.21 C ATOM 922 C PRO A 60 1.217 3.079 -9.084 1.00 5.02 C ATOM 923 O PRO A 60 0.945 4.118 -8.484 1.00 31.05 O ATOM 924 CB PRO A 60 0.776 3.368 -11.538 1.00 21.24 C ATOM 925 CG PRO A 60 0.407 2.009 -12.023 1.00 70.41 C ATOM 926 CD PRO A 60 1.662 1.184 -11.940 1.00 51.43 C ATOM 0 HA PRO A 60 2.601 3.909 -10.417 1.00 22.21 H new ATOM 0 HB2 PRO A 60 -0.087 3.887 -11.120 1.00 21.24 H new ATOM 0 HB3 PRO A 60 1.159 3.987 -12.349 1.00 21.24 H new ATOM 0 HG2 PRO A 60 -0.385 1.578 -11.410 1.00 70.41 H new ATOM 0 HG3 PRO A 60 0.033 2.048 -13.046 1.00 70.41 H new ATOM 0 HD2 PRO A 60 1.443 0.142 -11.706 1.00 51.43 H new ATOM 0 HD3 PRO A 60 2.211 1.191 -12.882 1.00 51.43 H new ATOM 934 N GLU A 61 0.990 1.870 -8.580 1.00 54.01 N ATOM 935 CA GLU A 61 0.391 1.693 -7.262 1.00 63.42 C ATOM 936 C GLU A 61 1.452 1.772 -6.168 1.00 40.30 C ATOM 937 O GLU A 61 1.134 1.954 -4.993 1.00 21.45 O ATOM 938 CB GLU A 61 -0.337 0.349 -7.185 1.00 0.21 C ATOM 939 CG GLU A 61 0.593 -0.838 -6.999 1.00 3.34 C ATOM 940 CD GLU A 61 -0.103 -2.166 -7.224 1.00 10.30 C ATOM 941 OE1 GLU A 61 -1.256 -2.158 -7.702 1.00 54.13 O ATOM 942 OE2 GLU A 61 0.506 -3.213 -6.922 1.00 25.20 O ATOM 0 H GLU A 61 1.211 1.000 -9.064 1.00 54.01 H new ATOM 0 HA GLU A 61 -0.328 2.497 -7.106 1.00 63.42 H new ATOM 0 HB2 GLU A 61 -1.047 0.377 -6.358 1.00 0.21 H new ATOM 0 HB3 GLU A 61 -0.916 0.206 -8.097 1.00 0.21 H new ATOM 0 HG2 GLU A 61 1.431 -0.750 -7.690 1.00 3.34 H new ATOM 0 HG3 GLU A 61 1.007 -0.816 -5.991 1.00 3.34 H new ATOM 949 N ASP A 62 2.713 1.635 -6.563 1.00 73.15 N ATOM 950 CA ASP A 62 3.821 1.692 -5.618 1.00 23.53 C ATOM 951 C ASP A 62 4.870 2.702 -6.070 1.00 44.31 C ATOM 952 O ASP A 62 4.652 3.459 -7.016 1.00 52.50 O ATOM 953 CB ASP A 62 4.459 0.310 -5.463 1.00 42.04 C ATOM 954 CG ASP A 62 3.755 -0.748 -6.290 1.00 22.22 C ATOM 955 OD1 ASP A 62 3.841 -0.684 -7.534 1.00 53.23 O ATOM 956 OD2 ASP A 62 3.120 -1.641 -5.692 1.00 74.42 O ATOM 0 H ASP A 62 2.993 1.484 -7.532 1.00 73.15 H new ATOM 0 HA ASP A 62 3.427 2.012 -4.653 1.00 23.53 H new ATOM 0 HB2 ASP A 62 5.507 0.361 -5.759 1.00 42.04 H new ATOM 0 HB3 ASP A 62 4.439 0.019 -4.413 1.00 42.04 H new ATOM 961 N LYS A 63 6.010 2.710 -5.387 1.00 63.24 N ATOM 962 CA LYS A 63 7.095 3.627 -5.718 1.00 34.11 C ATOM 963 C LYS A 63 8.437 3.073 -5.250 1.00 51.44 C ATOM 964 O LYS A 63 8.520 1.945 -4.765 1.00 63.54 O ATOM 965 CB LYS A 63 6.845 4.995 -5.080 1.00 1.41 C ATOM 966 CG LYS A 63 6.048 4.928 -3.789 1.00 54.30 C ATOM 967 CD LYS A 63 6.460 6.025 -2.821 1.00 75.04 C ATOM 968 CE LYS A 63 5.928 7.382 -3.258 1.00 22.33 C ATOM 969 NZ LYS A 63 6.156 8.426 -2.221 1.00 44.21 N ATOM 0 H LYS A 63 6.207 2.091 -4.600 1.00 63.24 H new ATOM 0 HA LYS A 63 7.126 3.738 -6.802 1.00 34.11 H new ATOM 0 HB2 LYS A 63 7.804 5.474 -4.881 1.00 1.41 H new ATOM 0 HB3 LYS A 63 6.315 5.627 -5.792 1.00 1.41 H new ATOM 0 HG2 LYS A 63 4.985 5.019 -4.012 1.00 54.30 H new ATOM 0 HG3 LYS A 63 6.194 3.955 -3.321 1.00 54.30 H new ATOM 0 HD2 LYS A 63 6.087 5.791 -1.824 1.00 75.04 H new ATOM 0 HD3 LYS A 63 7.547 6.063 -2.754 1.00 75.04 H new ATOM 0 HE2 LYS A 63 6.413 7.681 -4.187 1.00 22.33 H new ATOM 0 HE3 LYS A 63 4.861 7.304 -3.467 1.00 22.33 H new ATOM 0 HZ1 LYS A 63 5.780 9.336 -2.556 1.00 44.21 H new ATOM 0 HZ2 LYS A 63 5.672 8.154 -1.342 1.00 44.21 H new ATOM 0 HZ3 LYS A 63 7.176 8.519 -2.040 1.00 44.21 H new ATOM 983 N THR A 64 9.487 3.876 -5.398 1.00 33.12 N ATOM 984 CA THR A 64 10.825 3.466 -4.990 1.00 52.54 C ATOM 985 C THR A 64 11.279 4.228 -3.751 1.00 2.14 C ATOM 986 O THR A 64 11.359 5.457 -3.759 1.00 33.43 O ATOM 987 CB THR A 64 11.849 3.689 -6.120 1.00 15.14 C ATOM 988 OG1 THR A 64 12.057 2.469 -6.839 1.00 64.31 O ATOM 989 CG2 THR A 64 13.172 4.186 -5.559 1.00 45.54 C ATOM 0 H THR A 64 9.436 4.813 -5.797 1.00 33.12 H new ATOM 0 HA THR A 64 10.774 2.402 -4.760 1.00 52.54 H new ATOM 0 HB THR A 64 11.453 4.446 -6.797 1.00 15.14 H new ATOM 0 HG1 THR A 64 12.708 2.619 -7.556 1.00 64.31 H new ATOM 0 HG21 THR A 64 13.879 4.336 -6.374 1.00 45.54 H new ATOM 0 HG22 THR A 64 13.014 5.130 -5.037 1.00 45.54 H new ATOM 0 HG23 THR A 64 13.572 3.449 -4.863 1.00 45.54 H new ATOM 997 N VAL A 65 11.577 3.491 -2.685 1.00 43.22 N ATOM 998 CA VAL A 65 12.026 4.098 -1.437 1.00 70.54 C ATOM 999 C VAL A 65 13.199 5.041 -1.676 1.00 2.41 C ATOM 1000 O VAL A 65 13.289 6.104 -1.063 1.00 51.41 O ATOM 1001 CB VAL A 65 12.443 3.027 -0.411 1.00 53.23 C ATOM 1002 CG1 VAL A 65 13.257 1.932 -1.083 1.00 20.12 C ATOM 1003 CG2 VAL A 65 13.224 3.660 0.730 1.00 20.14 C ATOM 0 H VAL A 65 11.516 2.473 -2.661 1.00 43.22 H new ATOM 0 HA VAL A 65 11.184 4.664 -1.039 1.00 70.54 H new ATOM 0 HB VAL A 65 11.542 2.574 0.003 1.00 53.23 H new ATOM 0 HG11 VAL A 65 13.543 1.185 -0.343 1.00 20.12 H new ATOM 0 HG12 VAL A 65 12.659 1.460 -1.863 1.00 20.12 H new ATOM 0 HG13 VAL A 65 14.154 2.365 -1.526 1.00 20.12 H new ATOM 0 HG21 VAL A 65 13.511 2.890 1.446 1.00 20.14 H new ATOM 0 HG22 VAL A 65 14.119 4.140 0.336 1.00 20.14 H new ATOM 0 HG23 VAL A 65 12.602 4.404 1.228 1.00 20.14 H new ATOM 1013 N GLY A 66 14.098 4.645 -2.572 1.00 41.11 N ATOM 1014 CA GLY A 66 15.254 5.467 -2.876 1.00 45.45 C ATOM 1015 C GLY A 66 16.395 4.666 -3.471 1.00 64.10 C ATOM 1016 O GLY A 66 16.235 3.488 -3.792 1.00 3.11 O ATOM 0 H GLY A 66 14.046 3.769 -3.093 1.00 41.11 H new ATOM 0 HA2 GLY A 66 14.964 6.253 -3.573 1.00 45.45 H new ATOM 0 HA3 GLY A 66 15.596 5.959 -1.965 1.00 45.45 H new ATOM 1020 N PHE A 67 17.551 5.305 -3.620 1.00 52.33 N ATOM 1021 CA PHE A 67 18.723 4.645 -4.183 1.00 52.03 C ATOM 1022 C PHE A 67 19.937 4.827 -3.277 1.00 41.14 C ATOM 1023 O PHE A 67 20.086 5.857 -2.619 1.00 63.14 O ATOM 1024 CB PHE A 67 19.025 5.198 -5.578 1.00 22.43 C ATOM 1025 CG PHE A 67 19.479 6.629 -5.570 1.00 0.44 C ATOM 1026 CD1 PHE A 67 18.562 7.660 -5.437 1.00 63.23 C ATOM 1027 CD2 PHE A 67 20.822 6.945 -5.695 1.00 64.20 C ATOM 1028 CE1 PHE A 67 18.977 8.978 -5.429 1.00 55.52 C ATOM 1029 CE2 PHE A 67 21.243 8.261 -5.687 1.00 54.51 C ATOM 1030 CZ PHE A 67 20.318 9.280 -5.555 1.00 65.43 C ATOM 0 H PHE A 67 17.701 6.279 -3.359 1.00 52.33 H new ATOM 0 HA PHE A 67 18.507 3.580 -4.261 1.00 52.03 H new ATOM 0 HB2 PHE A 67 19.795 4.584 -6.045 1.00 22.43 H new ATOM 0 HB3 PHE A 67 18.131 5.112 -6.195 1.00 22.43 H new ATOM 0 HD1 PHE A 67 17.511 7.431 -5.339 1.00 63.23 H new ATOM 0 HD2 PHE A 67 21.549 6.153 -5.800 1.00 64.20 H new ATOM 0 HE1 PHE A 67 18.252 9.772 -5.324 1.00 55.52 H new ATOM 0 HE2 PHE A 67 22.293 8.493 -5.784 1.00 54.51 H new ATOM 0 HZ PHE A 67 20.644 10.310 -5.550 1.00 65.43 H new ATOM 1040 N VAL A 68 20.803 3.819 -3.248 1.00 72.33 N ATOM 1041 CA VAL A 68 22.005 3.866 -2.424 1.00 54.32 C ATOM 1042 C VAL A 68 23.263 3.801 -3.283 1.00 33.11 C ATOM 1043 O VAL A 68 23.401 2.924 -4.136 1.00 34.34 O ATOM 1044 CB VAL A 68 22.032 2.712 -1.404 1.00 51.43 C ATOM 1045 CG1 VAL A 68 23.297 2.774 -0.561 1.00 54.45 C ATOM 1046 CG2 VAL A 68 20.792 2.751 -0.524 1.00 20.12 C ATOM 0 H VAL A 68 20.694 2.959 -3.786 1.00 72.33 H new ATOM 0 HA VAL A 68 21.984 4.814 -1.887 1.00 54.32 H new ATOM 0 HB VAL A 68 22.034 1.768 -1.949 1.00 51.43 H new ATOM 0 HG11 VAL A 68 23.299 1.951 0.154 1.00 54.45 H new ATOM 0 HG12 VAL A 68 24.170 2.694 -1.209 1.00 54.45 H new ATOM 0 HG13 VAL A 68 23.330 3.722 -0.023 1.00 54.45 H new ATOM 0 HG21 VAL A 68 20.827 1.929 0.191 1.00 20.12 H new ATOM 0 HG22 VAL A 68 20.757 3.698 0.014 1.00 20.12 H new ATOM 0 HG23 VAL A 68 19.902 2.654 -1.145 1.00 20.12 H new ATOM 1056 N VAL A 69 24.180 4.735 -3.052 1.00 15.33 N ATOM 1057 CA VAL A 69 25.428 4.783 -3.803 1.00 2.41 C ATOM 1058 C VAL A 69 26.597 4.287 -2.959 1.00 12.22 C ATOM 1059 O VAL A 69 26.912 4.862 -1.917 1.00 20.34 O ATOM 1060 CB VAL A 69 25.733 6.211 -4.293 1.00 44.25 C ATOM 1061 CG1 VAL A 69 26.948 6.213 -5.210 1.00 15.02 C ATOM 1062 CG2 VAL A 69 24.522 6.802 -4.999 1.00 10.12 C ATOM 0 H VAL A 69 24.082 5.469 -2.350 1.00 15.33 H new ATOM 0 HA VAL A 69 25.303 4.129 -4.666 1.00 2.41 H new ATOM 0 HB VAL A 69 25.960 6.833 -3.427 1.00 44.25 H new ATOM 0 HG11 VAL A 69 27.148 7.230 -5.546 1.00 15.02 H new ATOM 0 HG12 VAL A 69 27.814 5.833 -4.668 1.00 15.02 H new ATOM 0 HG13 VAL A 69 26.753 5.577 -6.074 1.00 15.02 H new ATOM 0 HG21 VAL A 69 24.755 7.811 -5.339 1.00 10.12 H new ATOM 0 HG22 VAL A 69 24.262 6.182 -5.857 1.00 10.12 H new ATOM 0 HG23 VAL A 69 23.680 6.837 -4.308 1.00 10.12 H new ATOM 1072 N VAL A 70 27.237 3.216 -3.416 1.00 62.12 N ATOM 1073 CA VAL A 70 28.373 2.642 -2.704 1.00 51.22 C ATOM 1074 C VAL A 70 29.600 2.558 -3.605 1.00 22.33 C ATOM 1075 O VAL A 70 29.595 1.854 -4.613 1.00 70.54 O ATOM 1076 CB VAL A 70 28.046 1.236 -2.167 1.00 3.33 C ATOM 1077 CG1 VAL A 70 29.103 0.787 -1.168 1.00 54.45 C ATOM 1078 CG2 VAL A 70 26.662 1.216 -1.536 1.00 61.20 C ATOM 0 H VAL A 70 26.988 2.728 -4.276 1.00 62.12 H new ATOM 0 HA VAL A 70 28.587 3.303 -1.864 1.00 51.22 H new ATOM 0 HB VAL A 70 28.050 0.536 -3.003 1.00 3.33 H new ATOM 0 HG11 VAL A 70 28.856 -0.208 -0.799 1.00 54.45 H new ATOM 0 HG12 VAL A 70 30.077 0.761 -1.656 1.00 54.45 H new ATOM 0 HG13 VAL A 70 29.134 1.486 -0.332 1.00 54.45 H new ATOM 0 HG21 VAL A 70 26.447 0.215 -1.162 1.00 61.20 H new ATOM 0 HG22 VAL A 70 26.628 1.927 -0.711 1.00 61.20 H new ATOM 0 HG23 VAL A 70 25.918 1.492 -2.283 1.00 61.20 H new ATOM 1088 N ASN A 71 30.652 3.281 -3.232 1.00 75.53 N ATOM 1089 CA ASN A 71 31.887 3.287 -4.007 1.00 3.43 C ATOM 1090 C ASN A 71 33.058 2.787 -3.167 1.00 24.23 C ATOM 1091 O ASN A 71 33.498 3.458 -2.233 1.00 73.14 O ATOM 1092 CB ASN A 71 32.182 4.697 -4.524 1.00 32.02 C ATOM 1093 CG ASN A 71 31.013 5.288 -5.288 1.00 11.42 C ATOM 1094 OD1 ASN A 71 30.817 4.997 -6.468 1.00 2.12 O ATOM 1095 ND2 ASN A 71 30.230 6.124 -4.616 1.00 54.33 N ATOM 0 H ASN A 71 30.673 3.869 -2.399 1.00 75.53 H new ATOM 0 HA ASN A 71 31.758 2.615 -4.856 1.00 3.43 H new ATOM 0 HB2 ASN A 71 32.428 5.345 -3.683 1.00 32.02 H new ATOM 0 HB3 ASN A 71 33.058 4.668 -5.171 1.00 32.02 H new ATOM 0 HD21 ASN A 71 29.428 6.554 -5.077 1.00 54.33 H new ATOM 0 HD22 ASN A 71 30.431 6.336 -3.639 1.00 54.33 H new ATOM 1102 N ALA A 72 33.560 1.604 -3.506 1.00 34.42 N ATOM 1103 CA ALA A 72 34.681 1.014 -2.785 1.00 41.12 C ATOM 1104 C ALA A 72 35.965 1.801 -3.028 1.00 75.14 C ATOM 1105 O ALA A 72 36.790 1.954 -2.128 1.00 11.31 O ATOM 1106 CB ALA A 72 34.866 -0.440 -3.194 1.00 54.21 C ATOM 0 H ALA A 72 33.208 1.035 -4.276 1.00 34.42 H new ATOM 0 HA ALA A 72 34.457 1.054 -1.719 1.00 41.12 H new ATOM 0 HB1 ALA A 72 35.707 -0.868 -2.648 1.00 54.21 H new ATOM 0 HB2 ALA A 72 33.960 -1.001 -2.963 1.00 54.21 H new ATOM 0 HB3 ALA A 72 35.064 -0.494 -4.265 1.00 54.21 H new ATOM 1112 N ASP A 73 36.126 2.297 -4.250 1.00 62.21 N ATOM 1113 CA ASP A 73 37.310 3.069 -4.612 1.00 33.54 C ATOM 1114 C ASP A 73 37.427 4.320 -3.747 1.00 25.31 C ATOM 1115 O ASP A 73 38.527 4.728 -3.372 1.00 61.51 O ATOM 1116 CB ASP A 73 37.259 3.458 -6.090 1.00 32.02 C ATOM 1117 CG ASP A 73 38.604 3.311 -6.774 1.00 11.43 C ATOM 1118 OD1 ASP A 73 39.341 2.362 -6.436 1.00 35.45 O ATOM 1119 OD2 ASP A 73 38.920 4.147 -7.646 1.00 63.15 O ATOM 0 H ASP A 73 35.452 2.179 -5.006 1.00 62.21 H new ATOM 0 HA ASP A 73 38.188 2.446 -4.439 1.00 33.54 H new ATOM 0 HB2 ASP A 73 36.525 2.836 -6.601 1.00 32.02 H new ATOM 0 HB3 ASP A 73 36.920 4.490 -6.180 1.00 32.02 H new ATOM 1124 N LYS A 74 36.287 4.926 -3.434 1.00 43.01 N ATOM 1125 CA LYS A 74 36.261 6.131 -2.614 1.00 31.05 C ATOM 1126 C LYS A 74 36.059 5.783 -1.142 1.00 71.02 C ATOM 1127 O LYS A 74 36.236 6.627 -0.264 1.00 4.13 O ATOM 1128 CB LYS A 74 35.147 7.069 -3.084 1.00 43.13 C ATOM 1129 CG LYS A 74 35.420 7.707 -4.435 1.00 41.24 C ATOM 1130 CD LYS A 74 34.163 8.325 -5.024 1.00 40.13 C ATOM 1131 CE LYS A 74 34.486 9.230 -6.203 1.00 64.03 C ATOM 1132 NZ LYS A 74 33.386 10.193 -6.481 1.00 54.53 N ATOM 0 H LYS A 74 35.368 4.602 -3.736 1.00 43.01 H new ATOM 0 HA LYS A 74 37.222 6.635 -2.722 1.00 31.05 H new ATOM 0 HB2 LYS A 74 34.212 6.511 -3.137 1.00 43.13 H new ATOM 0 HB3 LYS A 74 35.008 7.855 -2.342 1.00 43.13 H new ATOM 0 HG2 LYS A 74 36.188 8.473 -4.328 1.00 41.24 H new ATOM 0 HG3 LYS A 74 35.813 6.956 -5.120 1.00 41.24 H new ATOM 0 HD2 LYS A 74 33.484 7.535 -5.346 1.00 40.13 H new ATOM 0 HD3 LYS A 74 33.644 8.898 -4.256 1.00 40.13 H new ATOM 0 HE2 LYS A 74 35.406 9.778 -5.998 1.00 64.03 H new ATOM 0 HE3 LYS A 74 34.668 8.621 -7.089 1.00 64.03 H new ATOM 0 HZ1 LYS A 74 33.645 10.791 -7.291 1.00 54.53 H new ATOM 0 HZ2 LYS A 74 32.514 9.670 -6.701 1.00 54.53 H new ATOM 0 HZ3 LYS A 74 33.229 10.791 -5.645 1.00 54.53 H new ATOM 1146 N LYS A 75 35.688 4.534 -0.880 1.00 11.42 N ATOM 1147 CA LYS A 75 35.464 4.073 0.485 1.00 23.11 C ATOM 1148 C LYS A 75 34.357 4.879 1.157 1.00 23.34 C ATOM 1149 O LYS A 75 34.466 5.245 2.328 1.00 12.43 O ATOM 1150 CB LYS A 75 36.755 4.181 1.300 1.00 42.21 C ATOM 1151 CG LYS A 75 37.712 3.022 1.080 1.00 2.41 C ATOM 1152 CD LYS A 75 39.105 3.344 1.596 1.00 31.21 C ATOM 1153 CE LYS A 75 39.114 3.512 3.108 1.00 40.43 C ATOM 1154 NZ LYS A 75 40.474 3.834 3.622 1.00 62.23 N ATOM 0 H LYS A 75 35.536 3.823 -1.595 1.00 11.42 H new ATOM 0 HA LYS A 75 35.154 3.029 0.443 1.00 23.11 H new ATOM 0 HB2 LYS A 75 37.260 5.112 1.043 1.00 42.21 H new ATOM 0 HB3 LYS A 75 36.503 4.237 2.359 1.00 42.21 H new ATOM 0 HG2 LYS A 75 37.332 2.134 1.585 1.00 2.41 H new ATOM 0 HG3 LYS A 75 37.762 2.787 0.017 1.00 2.41 H new ATOM 0 HD2 LYS A 75 39.792 2.547 1.313 1.00 31.21 H new ATOM 0 HD3 LYS A 75 39.466 4.258 1.125 1.00 31.21 H new ATOM 0 HE2 LYS A 75 38.422 4.306 3.389 1.00 40.43 H new ATOM 0 HE3 LYS A 75 38.756 2.596 3.577 1.00 40.43 H new ATOM 0 HZ1 LYS A 75 40.438 3.941 4.656 1.00 62.23 H new ATOM 0 HZ2 LYS A 75 41.129 3.065 3.376 1.00 62.23 H new ATOM 0 HZ3 LYS A 75 40.806 4.722 3.194 1.00 62.23 H new ATOM 1168 N LEU A 76 33.293 5.150 0.411 1.00 74.12 N ATOM 1169 CA LEU A 76 32.164 5.911 0.935 1.00 1.23 C ATOM 1170 C LEU A 76 30.842 5.338 0.436 1.00 54.41 C ATOM 1171 O LEU A 76 30.779 4.742 -0.639 1.00 13.13 O ATOM 1172 CB LEU A 76 32.282 7.381 0.529 1.00 42.20 C ATOM 1173 CG LEU A 76 32.972 7.655 -0.808 1.00 22.41 C ATOM 1174 CD1 LEU A 76 32.091 7.209 -1.964 1.00 54.54 C ATOM 1175 CD2 LEU A 76 33.319 9.131 -0.937 1.00 23.31 C ATOM 0 H LEU A 76 33.188 4.854 -0.559 1.00 74.12 H new ATOM 0 HA LEU A 76 32.182 5.838 2.022 1.00 1.23 H new ATOM 0 HB2 LEU A 76 31.280 7.809 0.492 1.00 42.20 H new ATOM 0 HB3 LEU A 76 32.826 7.911 1.311 1.00 42.20 H new ATOM 0 HG LEU A 76 33.898 7.081 -0.842 1.00 22.41 H new ATOM 0 HD11 LEU A 76 32.598 7.412 -2.907 1.00 54.54 H new ATOM 0 HD12 LEU A 76 31.894 6.140 -1.880 1.00 54.54 H new ATOM 0 HD13 LEU A 76 31.148 7.755 -1.934 1.00 54.54 H new ATOM 0 HD21 LEU A 76 33.809 9.307 -1.894 1.00 23.31 H new ATOM 0 HD22 LEU A 76 32.407 9.725 -0.882 1.00 23.31 H new ATOM 0 HD23 LEU A 76 33.990 9.419 -0.128 1.00 23.31 H new ATOM 1187 N MET A 77 29.787 5.526 1.222 1.00 31.25 N ATOM 1188 CA MET A 77 28.465 5.030 0.858 1.00 54.51 C ATOM 1189 C MET A 77 27.378 6.004 1.303 1.00 53.04 C ATOM 1190 O MET A 77 27.318 6.391 2.469 1.00 11.54 O ATOM 1191 CB MET A 77 28.221 3.656 1.483 1.00 21.35 C ATOM 1192 CG MET A 77 26.765 3.221 1.447 1.00 20.23 C ATOM 1193 SD MET A 77 26.551 1.476 1.847 1.00 62.42 S ATOM 1194 CE MET A 77 24.765 1.354 1.890 1.00 53.45 C ATOM 0 H MET A 77 29.822 6.018 2.115 1.00 31.25 H new ATOM 0 HA MET A 77 28.425 4.939 -0.227 1.00 54.51 H new ATOM 0 HB2 MET A 77 28.826 2.915 0.960 1.00 21.35 H new ATOM 0 HB3 MET A 77 28.561 3.671 2.518 1.00 21.35 H new ATOM 0 HG2 MET A 77 26.192 3.824 2.152 1.00 20.23 H new ATOM 0 HG3 MET A 77 26.356 3.415 0.455 1.00 20.23 H new ATOM 0 HE1 MET A 77 24.463 0.725 2.728 1.00 53.45 H new ATOM 0 HE2 MET A 77 24.335 2.348 2.010 1.00 53.45 H new ATOM 0 HE3 MET A 77 24.408 0.914 0.959 1.00 53.45 H new ATOM 1204 N SER A 78 26.521 6.396 0.365 1.00 33.21 N ATOM 1205 CA SER A 78 25.438 7.327 0.660 1.00 4.51 C ATOM 1206 C SER A 78 24.084 6.713 0.320 1.00 63.45 C ATOM 1207 O SER A 78 23.925 6.068 -0.717 1.00 41.23 O ATOM 1208 CB SER A 78 25.631 8.629 -0.120 1.00 51.33 C ATOM 1209 OG SER A 78 24.496 8.919 -0.917 1.00 75.22 O ATOM 0 H SER A 78 26.556 6.083 -0.605 1.00 33.21 H new ATOM 0 HA SER A 78 25.460 7.544 1.728 1.00 4.51 H new ATOM 0 HB2 SER A 78 25.811 9.450 0.575 1.00 51.33 H new ATOM 0 HB3 SER A 78 26.514 8.549 -0.754 1.00 51.33 H new ATOM 0 HG SER A 78 24.644 9.756 -1.404 1.00 75.22 H new ATOM 1215 N VAL A 79 23.110 6.917 1.201 1.00 63.31 N ATOM 1216 CA VAL A 79 21.769 6.384 0.995 1.00 52.23 C ATOM 1217 C VAL A 79 20.740 7.506 0.909 1.00 75.51 C ATOM 1218 O VAL A 79 20.571 8.280 1.850 1.00 14.43 O ATOM 1219 CB VAL A 79 21.368 5.420 2.127 1.00 72.44 C ATOM 1220 CG1 VAL A 79 20.013 4.791 1.838 1.00 62.23 C ATOM 1221 CG2 VAL A 79 22.432 4.349 2.316 1.00 1.30 C ATOM 0 H VAL A 79 23.225 7.448 2.064 1.00 63.31 H new ATOM 0 HA VAL A 79 21.787 5.837 0.052 1.00 52.23 H new ATOM 0 HB VAL A 79 21.288 5.988 3.054 1.00 72.44 H new ATOM 0 HG11 VAL A 79 19.746 4.113 2.649 1.00 62.23 H new ATOM 0 HG12 VAL A 79 19.259 5.573 1.756 1.00 62.23 H new ATOM 0 HG13 VAL A 79 20.062 4.235 0.902 1.00 62.23 H new ATOM 0 HG21 VAL A 79 22.133 3.676 3.120 1.00 1.30 H new ATOM 0 HG22 VAL A 79 22.546 3.782 1.392 1.00 1.30 H new ATOM 0 HG23 VAL A 79 23.381 4.820 2.572 1.00 1.30 H new ATOM 1231 N SER A 80 20.053 7.586 -0.227 1.00 22.24 N ATOM 1232 CA SER A 80 19.042 8.615 -0.437 1.00 72.13 C ATOM 1233 C SER A 80 17.662 7.991 -0.624 1.00 22.40 C ATOM 1234 O SER A 80 17.426 7.253 -1.581 1.00 23.20 O ATOM 1235 CB SER A 80 19.398 9.467 -1.657 1.00 14.42 C ATOM 1236 OG SER A 80 20.720 9.967 -1.561 1.00 41.42 O ATOM 0 H SER A 80 20.179 6.951 -1.015 1.00 22.24 H new ATOM 0 HA SER A 80 19.017 9.251 0.448 1.00 72.13 H new ATOM 0 HB2 SER A 80 19.296 8.870 -2.563 1.00 14.42 H new ATOM 0 HB3 SER A 80 18.697 10.297 -1.742 1.00 14.42 H new ATOM 0 HG SER A 80 20.924 10.507 -2.353 1.00 41.42 H new ATOM 1242 N PHE A 81 16.754 8.292 0.298 1.00 53.02 N ATOM 1243 CA PHE A 81 15.397 7.760 0.237 1.00 42.42 C ATOM 1244 C PHE A 81 14.378 8.825 0.632 1.00 33.32 C ATOM 1245 O PHE A 81 14.683 9.737 1.400 1.00 32.02 O ATOM 1246 CB PHE A 81 15.262 6.543 1.154 1.00 61.03 C ATOM 1247 CG PHE A 81 15.811 6.768 2.533 1.00 24.25 C ATOM 1248 CD1 PHE A 81 15.205 7.665 3.397 1.00 10.42 C ATOM 1249 CD2 PHE A 81 16.935 6.082 2.966 1.00 32.24 C ATOM 1250 CE1 PHE A 81 15.708 7.874 4.668 1.00 53.43 C ATOM 1251 CE2 PHE A 81 17.442 6.286 4.236 1.00 53.32 C ATOM 1252 CZ PHE A 81 16.828 7.185 5.087 1.00 22.50 C ATOM 0 H PHE A 81 16.933 8.901 1.096 1.00 53.02 H new ATOM 0 HA PHE A 81 15.198 7.455 -0.790 1.00 42.42 H new ATOM 0 HB2 PHE A 81 14.209 6.271 1.231 1.00 61.03 H new ATOM 0 HB3 PHE A 81 15.778 5.697 0.700 1.00 61.03 H new ATOM 0 HD1 PHE A 81 14.329 8.208 3.074 1.00 10.42 H new ATOM 0 HD2 PHE A 81 17.420 5.380 2.304 1.00 32.24 H new ATOM 0 HE1 PHE A 81 15.225 8.576 5.332 1.00 53.43 H new ATOM 0 HE2 PHE A 81 18.317 5.743 4.563 1.00 53.32 H new ATOM 0 HZ PHE A 81 17.224 7.348 6.078 1.00 22.50 H new ATOM 1262 N SER A 82 13.166 8.701 0.101 1.00 35.31 N ATOM 1263 CA SER A 82 12.101 9.654 0.394 1.00 24.43 C ATOM 1264 C SER A 82 11.257 9.179 1.573 1.00 53.02 C ATOM 1265 O SER A 82 11.411 8.054 2.048 1.00 21.12 O ATOM 1266 CB SER A 82 11.214 9.854 -0.836 1.00 22.02 C ATOM 1267 OG SER A 82 11.905 10.556 -1.854 1.00 43.32 O ATOM 0 H SER A 82 12.897 7.950 -0.534 1.00 35.31 H new ATOM 0 HA SER A 82 12.561 10.606 0.659 1.00 24.43 H new ATOM 0 HB2 SER A 82 10.888 8.885 -1.215 1.00 22.02 H new ATOM 0 HB3 SER A 82 10.316 10.405 -0.555 1.00 22.02 H new ATOM 0 HG SER A 82 11.317 10.670 -2.630 1.00 43.32 H new ATOM 1273 N ASP A 83 10.364 10.045 2.039 1.00 12.10 N ATOM 1274 CA ASP A 83 9.493 9.716 3.161 1.00 32.34 C ATOM 1275 C ASP A 83 9.126 8.235 3.148 1.00 11.02 C ATOM 1276 O ASP A 83 8.235 7.813 2.411 1.00 52.05 O ATOM 1277 CB ASP A 83 8.224 10.569 3.117 1.00 20.33 C ATOM 1278 CG ASP A 83 8.526 12.050 3.002 1.00 31.14 C ATOM 1279 OD1 ASP A 83 9.128 12.608 3.944 1.00 64.24 O ATOM 1280 OD2 ASP A 83 8.160 12.651 1.971 1.00 45.11 O ATOM 0 H ASP A 83 10.224 10.980 1.657 1.00 12.10 H new ATOM 0 HA ASP A 83 10.033 9.930 4.083 1.00 32.34 H new ATOM 0 HB2 ASP A 83 7.611 10.259 2.271 1.00 20.33 H new ATOM 0 HB3 ASP A 83 7.638 10.390 4.018 1.00 20.33 H new ATOM 1285 N ILE A 84 9.819 7.452 3.968 1.00 61.34 N ATOM 1286 CA ILE A 84 9.566 6.019 4.050 1.00 71.43 C ATOM 1287 C ILE A 84 9.282 5.592 5.486 1.00 51.01 C ATOM 1288 O ILE A 84 9.664 6.277 6.435 1.00 54.11 O ATOM 1289 CB ILE A 84 10.757 5.205 3.510 1.00 32.33 C ATOM 1290 CG1 ILE A 84 12.066 5.707 4.123 1.00 14.32 C ATOM 1291 CG2 ILE A 84 10.811 5.287 1.992 1.00 14.31 C ATOM 1292 CD1 ILE A 84 13.155 4.659 4.165 1.00 62.12 C ATOM 0 H ILE A 84 10.560 7.786 4.585 1.00 61.34 H new ATOM 0 HA ILE A 84 8.690 5.818 3.434 1.00 71.43 H new ATOM 0 HB ILE A 84 10.622 4.161 3.793 1.00 32.33 H new ATOM 0 HG12 ILE A 84 12.420 6.564 3.551 1.00 14.32 H new ATOM 0 HG13 ILE A 84 11.872 6.058 5.136 1.00 14.32 H new ATOM 0 HG21 ILE A 84 11.658 4.707 1.626 1.00 14.31 H new ATOM 0 HG22 ILE A 84 9.888 4.886 1.573 1.00 14.31 H new ATOM 0 HG23 ILE A 84 10.926 6.327 1.688 1.00 14.31 H new ATOM 0 HD11 ILE A 84 14.053 5.085 4.612 1.00 62.12 H new ATOM 0 HD12 ILE A 84 12.821 3.810 4.762 1.00 62.12 H new ATOM 0 HD13 ILE A 84 13.377 4.325 3.152 1.00 62.12 H new ATOM 1304 N ASP A 85 8.611 4.455 5.638 1.00 42.51 N ATOM 1305 CA ASP A 85 8.278 3.935 6.959 1.00 62.12 C ATOM 1306 C ASP A 85 9.541 3.655 7.767 1.00 45.21 C ATOM 1307 O ASP A 85 10.615 3.443 7.204 1.00 32.10 O ATOM 1308 CB ASP A 85 7.446 2.658 6.832 1.00 13.12 C ATOM 1309 CG ASP A 85 6.248 2.836 5.920 1.00 70.11 C ATOM 1310 OD1 ASP A 85 6.438 2.840 4.685 1.00 15.43 O ATOM 1311 OD2 ASP A 85 5.121 2.970 6.440 1.00 30.34 O ATOM 0 H ASP A 85 8.287 3.876 4.863 1.00 42.51 H new ATOM 0 HA ASP A 85 7.693 4.691 7.483 1.00 62.12 H new ATOM 0 HB2 ASP A 85 8.075 1.855 6.448 1.00 13.12 H new ATOM 0 HB3 ASP A 85 7.104 2.351 7.820 1.00 13.12 H new ATOM 1316 N GLU A 86 9.405 3.658 9.089 1.00 32.03 N ATOM 1317 CA GLU A 86 10.536 3.406 9.974 1.00 2.40 C ATOM 1318 C GLU A 86 10.958 1.941 9.915 1.00 34.12 C ATOM 1319 O GLU A 86 12.113 1.606 10.170 1.00 24.11 O ATOM 1320 CB GLU A 86 10.182 3.789 11.413 1.00 43.35 C ATOM 1321 CG GLU A 86 9.081 2.934 12.017 1.00 41.24 C ATOM 1322 CD GLU A 86 8.246 3.690 13.032 1.00 4.02 C ATOM 1323 OE1 GLU A 86 7.645 4.718 12.659 1.00 54.50 O ATOM 1324 OE2 GLU A 86 8.195 3.252 14.201 1.00 40.13 O ATOM 0 H GLU A 86 8.523 3.832 9.571 1.00 32.03 H new ATOM 0 HA GLU A 86 11.371 4.020 9.637 1.00 2.40 H new ATOM 0 HB2 GLU A 86 11.075 3.707 12.032 1.00 43.35 H new ATOM 0 HB3 GLU A 86 9.873 4.834 11.436 1.00 43.35 H new ATOM 0 HG2 GLU A 86 8.434 2.566 11.221 1.00 41.24 H new ATOM 0 HG3 GLU A 86 9.525 2.061 12.495 1.00 41.24 H new ATOM 1331 N ASN A 87 10.010 1.072 9.578 1.00 41.03 N ATOM 1332 CA ASN A 87 10.282 -0.358 9.486 1.00 11.13 C ATOM 1333 C ASN A 87 11.386 -0.638 8.471 1.00 30.13 C ATOM 1334 O ASN A 87 12.348 -1.347 8.766 1.00 41.34 O ATOM 1335 CB ASN A 87 9.011 -1.116 9.097 1.00 42.25 C ATOM 1336 CG ASN A 87 8.018 -1.205 10.239 1.00 52.01 C ATOM 1337 OD1 ASN A 87 7.943 -0.311 11.082 1.00 31.33 O ATOM 1338 ND2 ASN A 87 7.249 -2.287 10.271 1.00 20.31 N ATOM 0 H ASN A 87 9.047 1.333 9.364 1.00 41.03 H new ATOM 0 HA ASN A 87 10.617 -0.702 10.464 1.00 11.13 H new ATOM 0 HB2 ASN A 87 8.541 -0.619 8.248 1.00 42.25 H new ATOM 0 HB3 ASN A 87 9.277 -2.122 8.771 1.00 42.25 H new ATOM 0 HD21 ASN A 87 6.561 -2.402 11.016 1.00 20.31 H new ATOM 0 HD22 ASN A 87 7.346 -3.003 9.551 1.00 20.31 H new ATOM 1345 N MET A 88 11.240 -0.076 7.276 1.00 73.11 N ATOM 1346 CA MET A 88 12.226 -0.264 6.218 1.00 54.02 C ATOM 1347 C MET A 88 13.486 0.548 6.499 1.00 61.21 C ATOM 1348 O MET A 88 14.602 0.081 6.270 1.00 71.32 O ATOM 1349 CB MET A 88 11.636 0.139 4.865 1.00 43.32 C ATOM 1350 CG MET A 88 11.060 1.546 4.848 1.00 71.21 C ATOM 1351 SD MET A 88 9.482 1.639 3.981 1.00 13.31 S ATOM 1352 CE MET A 88 9.882 0.790 2.456 1.00 43.43 C ATOM 0 H MET A 88 10.449 0.513 7.016 1.00 73.11 H new ATOM 0 HA MET A 88 12.495 -1.320 6.189 1.00 54.02 H new ATOM 0 HB2 MET A 88 12.411 0.063 4.103 1.00 43.32 H new ATOM 0 HB3 MET A 88 10.853 -0.569 4.594 1.00 43.32 H new ATOM 0 HG2 MET A 88 10.928 1.893 5.873 1.00 71.21 H new ATOM 0 HG3 MET A 88 11.772 2.220 4.372 1.00 71.21 H new ATOM 0 HE1 MET A 88 8.973 0.640 1.874 1.00 43.43 H new ATOM 0 HE2 MET A 88 10.587 1.389 1.880 1.00 43.43 H new ATOM 0 HE3 MET A 88 10.330 -0.177 2.685 1.00 43.43 H new ATOM 1362 N LYS A 89 13.301 1.766 6.996 1.00 22.02 N ATOM 1363 CA LYS A 89 14.423 2.643 7.310 1.00 52.22 C ATOM 1364 C LYS A 89 15.447 1.926 8.183 1.00 64.44 C ATOM 1365 O LYS A 89 16.654 2.109 8.021 1.00 40.44 O ATOM 1366 CB LYS A 89 13.927 3.905 8.020 1.00 41.24 C ATOM 1367 CG LYS A 89 14.908 5.063 7.957 1.00 53.44 C ATOM 1368 CD LYS A 89 14.212 6.396 8.177 1.00 75.00 C ATOM 1369 CE LYS A 89 15.211 7.507 8.458 1.00 2.25 C ATOM 1370 NZ LYS A 89 14.672 8.845 8.089 1.00 13.25 N ATOM 0 H LYS A 89 12.384 2.169 7.190 1.00 22.02 H new ATOM 0 HA LYS A 89 14.904 2.925 6.373 1.00 52.22 H new ATOM 0 HB2 LYS A 89 12.982 4.215 7.574 1.00 41.24 H new ATOM 0 HB3 LYS A 89 13.724 3.668 9.064 1.00 41.24 H new ATOM 0 HG2 LYS A 89 15.682 4.927 8.712 1.00 53.44 H new ATOM 0 HG3 LYS A 89 15.406 5.067 6.987 1.00 53.44 H new ATOM 0 HD2 LYS A 89 13.623 6.650 7.296 1.00 75.00 H new ATOM 0 HD3 LYS A 89 13.517 6.311 9.012 1.00 75.00 H new ATOM 0 HE2 LYS A 89 15.473 7.500 9.516 1.00 2.25 H new ATOM 0 HE3 LYS A 89 16.129 7.319 7.901 1.00 2.25 H new ATOM 0 HZ1 LYS A 89 15.422 9.559 8.184 1.00 13.25 H new ATOM 0 HZ2 LYS A 89 14.335 8.824 7.105 1.00 13.25 H new ATOM 0 HZ3 LYS A 89 13.882 9.087 8.720 1.00 13.25 H new ATOM 1384 N LYS A 90 14.959 1.106 9.108 1.00 44.04 N ATOM 1385 CA LYS A 90 15.832 0.358 10.005 1.00 70.23 C ATOM 1386 C LYS A 90 16.804 -0.514 9.216 1.00 31.34 C ATOM 1387 O LYS A 90 17.995 -0.569 9.524 1.00 14.13 O ATOM 1388 CB LYS A 90 15.000 -0.513 10.950 1.00 44.52 C ATOM 1389 CG LYS A 90 15.552 -0.574 12.364 1.00 63.25 C ATOM 1390 CD LYS A 90 16.775 -1.473 12.446 1.00 12.32 C ATOM 1391 CE LYS A 90 17.016 -1.957 13.868 1.00 55.11 C ATOM 1392 NZ LYS A 90 17.466 -0.854 14.761 1.00 42.43 N ATOM 0 H LYS A 90 13.963 0.943 9.256 1.00 44.04 H new ATOM 0 HA LYS A 90 16.408 1.073 10.592 1.00 70.23 H new ATOM 0 HB2 LYS A 90 13.981 -0.128 10.983 1.00 44.52 H new ATOM 0 HB3 LYS A 90 14.946 -1.524 10.546 1.00 44.52 H new ATOM 0 HG2 LYS A 90 15.814 0.430 12.697 1.00 63.25 H new ATOM 0 HG3 LYS A 90 14.782 -0.943 13.041 1.00 63.25 H new ATOM 0 HD2 LYS A 90 16.643 -2.330 11.786 1.00 12.32 H new ATOM 0 HD3 LYS A 90 17.651 -0.930 12.092 1.00 12.32 H new ATOM 0 HE2 LYS A 90 16.099 -2.393 14.263 1.00 55.11 H new ATOM 0 HE3 LYS A 90 17.767 -2.747 13.860 1.00 55.11 H new ATOM 0 HZ1 LYS A 90 17.619 -1.225 15.721 1.00 42.43 H new ATOM 0 HZ2 LYS A 90 18.355 -0.454 14.398 1.00 42.43 H new ATOM 0 HZ3 LYS A 90 16.739 -0.111 14.789 1.00 42.43 H new ATOM 1406 N VAL A 91 16.289 -1.194 8.197 1.00 33.30 N ATOM 1407 CA VAL A 91 17.112 -2.062 7.363 1.00 53.22 C ATOM 1408 C VAL A 91 18.114 -1.251 6.548 1.00 32.43 C ATOM 1409 O VAL A 91 19.247 -1.682 6.334 1.00 4.04 O ATOM 1410 CB VAL A 91 16.248 -2.903 6.404 1.00 11.40 C ATOM 1411 CG1 VAL A 91 14.859 -3.118 6.986 1.00 41.11 C ATOM 1412 CG2 VAL A 91 16.166 -2.236 5.039 1.00 74.41 C ATOM 0 H VAL A 91 15.305 -1.161 7.929 1.00 33.30 H new ATOM 0 HA VAL A 91 17.650 -2.730 8.035 1.00 53.22 H new ATOM 0 HB VAL A 91 16.718 -3.879 6.279 1.00 11.40 H new ATOM 0 HG11 VAL A 91 14.263 -3.714 6.295 1.00 41.11 H new ATOM 0 HG12 VAL A 91 14.941 -3.641 7.939 1.00 41.11 H new ATOM 0 HG13 VAL A 91 14.377 -2.153 7.142 1.00 41.11 H new ATOM 0 HG21 VAL A 91 15.552 -2.843 4.374 1.00 74.41 H new ATOM 0 HG22 VAL A 91 15.719 -1.247 5.143 1.00 74.41 H new ATOM 0 HG23 VAL A 91 17.168 -2.139 4.621 1.00 74.41 H new ATOM 1422 N ILE A 92 17.688 -0.076 6.097 1.00 24.40 N ATOM 1423 CA ILE A 92 18.549 0.795 5.307 1.00 4.22 C ATOM 1424 C ILE A 92 19.729 1.297 6.133 1.00 41.32 C ATOM 1425 O ILE A 92 20.875 1.265 5.683 1.00 13.01 O ATOM 1426 CB ILE A 92 17.772 2.005 4.755 1.00 32.42 C ATOM 1427 CG1 ILE A 92 16.435 1.552 4.164 1.00 41.42 C ATOM 1428 CG2 ILE A 92 18.601 2.734 3.709 1.00 54.15 C ATOM 1429 CD1 ILE A 92 15.790 2.586 3.268 1.00 41.33 C ATOM 0 H ILE A 92 16.753 0.294 6.265 1.00 24.40 H new ATOM 0 HA ILE A 92 18.919 0.200 4.472 1.00 4.22 H new ATOM 0 HB ILE A 92 17.571 2.695 5.575 1.00 32.42 H new ATOM 0 HG12 ILE A 92 16.590 0.636 3.595 1.00 41.42 H new ATOM 0 HG13 ILE A 92 15.751 1.310 4.977 1.00 41.42 H new ATOM 0 HG21 ILE A 92 18.038 3.587 3.328 1.00 54.15 H new ATOM 0 HG22 ILE A 92 19.530 3.084 4.160 1.00 54.15 H new ATOM 0 HG23 ILE A 92 18.830 2.055 2.888 1.00 54.15 H new ATOM 0 HD11 ILE A 92 14.847 2.197 2.885 1.00 41.33 H new ATOM 0 HD12 ILE A 92 15.603 3.496 3.838 1.00 41.33 H new ATOM 0 HD13 ILE A 92 16.455 2.811 2.434 1.00 41.33 H new ATOM 1441 N LYS A 93 19.442 1.760 7.345 1.00 54.13 N ATOM 1442 CA LYS A 93 20.478 2.267 8.237 1.00 70.45 C ATOM 1443 C LYS A 93 21.455 1.160 8.620 1.00 71.54 C ATOM 1444 O LYS A 93 22.667 1.370 8.644 1.00 62.45 O ATOM 1445 CB LYS A 93 19.848 2.864 9.497 1.00 50.03 C ATOM 1446 CG LYS A 93 19.588 4.357 9.398 1.00 42.34 C ATOM 1447 CD LYS A 93 20.714 5.162 10.026 1.00 74.10 C ATOM 1448 CE LYS A 93 21.952 5.171 9.143 1.00 3.33 C ATOM 1449 NZ LYS A 93 22.847 6.320 9.455 1.00 10.23 N ATOM 0 H LYS A 93 18.499 1.795 7.732 1.00 54.13 H new ATOM 0 HA LYS A 93 21.028 3.046 7.709 1.00 70.45 H new ATOM 0 HB2 LYS A 93 18.907 2.353 9.700 1.00 50.03 H new ATOM 0 HB3 LYS A 93 20.504 2.673 10.346 1.00 50.03 H new ATOM 0 HG2 LYS A 93 19.478 4.639 8.351 1.00 42.34 H new ATOM 0 HG3 LYS A 93 18.647 4.597 9.894 1.00 42.34 H new ATOM 0 HD2 LYS A 93 20.380 6.185 10.196 1.00 74.10 H new ATOM 0 HD3 LYS A 93 20.964 4.742 11.000 1.00 74.10 H new ATOM 0 HE2 LYS A 93 22.499 4.238 9.275 1.00 3.33 H new ATOM 0 HE3 LYS A 93 21.651 5.218 8.096 1.00 3.33 H new ATOM 0 HZ1 LYS A 93 23.679 6.291 8.832 1.00 10.23 H new ATOM 0 HZ2 LYS A 93 22.333 7.211 9.304 1.00 10.23 H new ATOM 0 HZ3 LYS A 93 23.155 6.261 10.447 1.00 10.23 H new ATOM 1463 N ALA A 94 20.919 -0.020 8.917 1.00 12.43 N ATOM 1464 CA ALA A 94 21.744 -1.160 9.296 1.00 72.25 C ATOM 1465 C ALA A 94 22.619 -1.615 8.132 1.00 12.43 C ATOM 1466 O ALA A 94 23.741 -2.081 8.331 1.00 61.24 O ATOM 1467 CB ALA A 94 20.869 -2.307 9.780 1.00 52.13 C ATOM 0 H ALA A 94 19.917 -0.211 8.902 1.00 12.43 H new ATOM 0 HA ALA A 94 22.399 -0.849 10.110 1.00 72.25 H new ATOM 0 HB1 ALA A 94 21.498 -3.152 10.060 1.00 52.13 H new ATOM 0 HB2 ALA A 94 20.291 -1.983 10.645 1.00 52.13 H new ATOM 0 HB3 ALA A 94 20.190 -2.609 8.982 1.00 52.13 H new ATOM 1473 N THR A 95 22.098 -1.476 6.917 1.00 64.22 N ATOM 1474 CA THR A 95 22.831 -1.874 5.722 1.00 63.24 C ATOM 1475 C THR A 95 24.021 -0.953 5.474 1.00 73.40 C ATOM 1476 O THR A 95 25.127 -1.414 5.195 1.00 70.43 O ATOM 1477 CB THR A 95 21.923 -1.867 4.477 1.00 23.14 C ATOM 1478 OG1 THR A 95 20.910 -2.871 4.605 1.00 40.23 O ATOM 1479 CG2 THR A 95 22.734 -2.115 3.214 1.00 22.24 C ATOM 0 H THR A 95 21.171 -1.091 6.735 1.00 64.22 H new ATOM 0 HA THR A 95 23.190 -2.889 5.895 1.00 63.24 H new ATOM 0 HB THR A 95 21.454 -0.886 4.401 1.00 23.14 H new ATOM 0 HG1 THR A 95 21.220 -3.703 4.190 1.00 40.23 H new ATOM 0 HG21 THR A 95 22.072 -2.106 2.348 1.00 22.24 H new ATOM 0 HG22 THR A 95 23.485 -1.333 3.105 1.00 22.24 H new ATOM 0 HG23 THR A 95 23.227 -3.085 3.283 1.00 22.24 H new ATOM 1487 N ALA A 96 23.786 0.350 5.579 1.00 54.43 N ATOM 1488 CA ALA A 96 24.839 1.336 5.369 1.00 71.13 C ATOM 1489 C ALA A 96 25.895 1.253 6.466 1.00 14.40 C ATOM 1490 O ALA A 96 27.092 1.224 6.186 1.00 64.11 O ATOM 1491 CB ALA A 96 24.247 2.736 5.307 1.00 10.23 C ATOM 0 H ALA A 96 22.875 0.748 5.808 1.00 54.43 H new ATOM 0 HA ALA A 96 25.324 1.117 4.418 1.00 71.13 H new ATOM 0 HB1 ALA A 96 25.045 3.462 5.150 1.00 10.23 H new ATOM 0 HB2 ALA A 96 23.536 2.794 4.483 1.00 10.23 H new ATOM 0 HB3 ALA A 96 23.735 2.956 6.244 1.00 10.23 H new ATOM 1497 N GLU A 97 25.441 1.217 7.715 1.00 5.33 N ATOM 1498 CA GLU A 97 26.349 1.140 8.854 1.00 33.13 C ATOM 1499 C GLU A 97 27.126 -0.173 8.843 1.00 74.53 C ATOM 1500 O GLU A 97 28.285 -0.226 9.254 1.00 70.31 O ATOM 1501 CB GLU A 97 25.570 1.273 10.165 1.00 42.12 C ATOM 1502 CG GLU A 97 24.817 0.013 10.556 1.00 23.23 C ATOM 1503 CD GLU A 97 25.676 -0.960 11.341 1.00 1.44 C ATOM 1504 OE1 GLU A 97 26.602 -0.502 12.043 1.00 42.34 O ATOM 1505 OE2 GLU A 97 25.421 -2.179 11.254 1.00 22.23 O ATOM 0 H GLU A 97 24.452 1.240 7.964 1.00 5.33 H new ATOM 0 HA GLU A 97 27.059 1.963 8.776 1.00 33.13 H new ATOM 0 HB2 GLU A 97 26.263 1.535 10.965 1.00 42.12 H new ATOM 0 HB3 GLU A 97 24.861 2.096 10.075 1.00 42.12 H new ATOM 0 HG2 GLU A 97 23.946 0.285 11.152 1.00 23.23 H new ATOM 0 HG3 GLU A 97 24.447 -0.479 9.656 1.00 23.23 H new ATOM 1512 N LYS A 98 26.478 -1.233 8.369 1.00 2.22 N ATOM 1513 CA LYS A 98 27.106 -2.547 8.302 1.00 22.05 C ATOM 1514 C LYS A 98 28.378 -2.500 7.462 1.00 24.13 C ATOM 1515 O LYS A 98 29.373 -3.149 7.787 1.00 1.24 O ATOM 1516 CB LYS A 98 26.132 -3.571 7.715 1.00 22.15 C ATOM 1517 CG LYS A 98 26.771 -4.916 7.415 1.00 3.15 C ATOM 1518 CD LYS A 98 27.250 -5.601 8.684 1.00 22.23 C ATOM 1519 CE LYS A 98 26.088 -6.171 9.483 1.00 72.24 C ATOM 1520 NZ LYS A 98 25.607 -7.462 8.917 1.00 31.35 N ATOM 0 H LYS A 98 25.518 -1.207 8.026 1.00 2.22 H new ATOM 0 HA LYS A 98 27.372 -2.847 9.316 1.00 22.05 H new ATOM 0 HB2 LYS A 98 25.308 -3.717 8.413 1.00 22.15 H new ATOM 0 HB3 LYS A 98 25.704 -3.168 6.797 1.00 22.15 H new ATOM 0 HG2 LYS A 98 26.051 -5.556 6.904 1.00 3.15 H new ATOM 0 HG3 LYS A 98 27.612 -4.777 6.736 1.00 3.15 H new ATOM 0 HD2 LYS A 98 27.943 -6.402 8.427 1.00 22.23 H new ATOM 0 HD3 LYS A 98 27.800 -4.888 9.298 1.00 22.23 H new ATOM 0 HE2 LYS A 98 26.397 -6.321 10.517 1.00 72.24 H new ATOM 0 HE3 LYS A 98 25.269 -5.452 9.496 1.00 72.24 H new ATOM 0 HZ1 LYS A 98 24.815 -7.818 9.489 1.00 31.35 H new ATOM 0 HZ2 LYS A 98 25.288 -7.315 7.938 1.00 31.35 H new ATOM 0 HZ3 LYS A 98 26.382 -8.156 8.928 1.00 31.35 H new ATOM 1534 N PHE A 99 28.340 -1.728 6.382 1.00 42.24 N ATOM 1535 CA PHE A 99 29.491 -1.596 5.495 1.00 14.11 C ATOM 1536 C PHE A 99 30.656 -0.921 6.213 1.00 53.32 C ATOM 1537 O PHE A 99 31.820 -1.224 5.953 1.00 23.41 O ATOM 1538 CB PHE A 99 29.111 -0.794 4.248 1.00 23.14 C ATOM 1539 CG PHE A 99 28.606 -1.646 3.119 1.00 42.52 C ATOM 1540 CD1 PHE A 99 29.479 -2.429 2.381 1.00 74.40 C ATOM 1541 CD2 PHE A 99 27.259 -1.662 2.795 1.00 21.52 C ATOM 1542 CE1 PHE A 99 29.016 -3.213 1.341 1.00 64.14 C ATOM 1543 CE2 PHE A 99 26.791 -2.445 1.756 1.00 0.41 C ATOM 1544 CZ PHE A 99 27.671 -3.222 1.029 1.00 51.35 C ATOM 0 H PHE A 99 27.525 -1.184 6.099 1.00 42.24 H new ATOM 0 HA PHE A 99 29.803 -2.596 5.194 1.00 14.11 H new ATOM 0 HB2 PHE A 99 28.345 -0.065 4.514 1.00 23.14 H new ATOM 0 HB3 PHE A 99 29.981 -0.232 3.908 1.00 23.14 H new ATOM 0 HD1 PHE A 99 30.532 -2.427 2.621 1.00 74.40 H new ATOM 0 HD2 PHE A 99 26.567 -1.056 3.360 1.00 21.52 H new ATOM 0 HE1 PHE A 99 29.706 -3.819 0.772 1.00 64.14 H new ATOM 0 HE2 PHE A 99 25.739 -2.449 1.513 1.00 0.41 H new ATOM 0 HZ PHE A 99 27.308 -3.836 0.218 1.00 51.35 H new ATOM 1554 N LYS A 100 30.333 -0.002 7.117 1.00 23.21 N ATOM 1555 CA LYS A 100 31.351 0.717 7.874 1.00 11.12 C ATOM 1556 C LYS A 100 32.184 -0.244 8.715 1.00 24.43 C ATOM 1557 O LYS A 100 33.353 0.016 8.997 1.00 42.11 O ATOM 1558 CB LYS A 100 30.698 1.766 8.777 1.00 52.32 C ATOM 1559 CG LYS A 100 31.691 2.541 9.626 1.00 53.34 C ATOM 1560 CD LYS A 100 31.141 3.900 10.025 1.00 4.42 C ATOM 1561 CE LYS A 100 31.701 5.008 9.146 1.00 52.22 C ATOM 1562 NZ LYS A 100 31.745 6.314 9.860 1.00 42.21 N ATOM 0 H LYS A 100 29.374 0.262 7.343 1.00 23.21 H new ATOM 0 HA LYS A 100 32.011 1.216 7.164 1.00 11.12 H new ATOM 0 HB2 LYS A 100 30.137 2.467 8.159 1.00 52.32 H new ATOM 0 HB3 LYS A 100 29.980 1.273 9.432 1.00 52.32 H new ATOM 0 HG2 LYS A 100 31.931 1.967 10.521 1.00 53.34 H new ATOM 0 HG3 LYS A 100 32.621 2.672 9.072 1.00 53.34 H new ATOM 0 HD2 LYS A 100 30.054 3.890 9.951 1.00 4.42 H new ATOM 0 HD3 LYS A 100 31.387 4.102 11.067 1.00 4.42 H new ATOM 0 HE2 LYS A 100 32.705 4.739 8.819 1.00 52.22 H new ATOM 0 HE3 LYS A 100 31.089 5.105 8.249 1.00 52.22 H new ATOM 0 HZ1 LYS A 100 32.133 7.043 9.227 1.00 42.21 H new ATOM 0 HZ2 LYS A 100 30.783 6.583 10.150 1.00 42.21 H new ATOM 0 HZ3 LYS A 100 32.350 6.229 10.702 1.00 42.21 H new ATOM 1576 N ASN A 101 31.575 -1.357 9.112 1.00 62.11 N ATOM 1577 CA ASN A 101 32.262 -2.358 9.920 1.00 22.01 C ATOM 1578 C ASN A 101 33.448 -2.948 9.163 1.00 3.21 C ATOM 1579 O ASN A 101 34.328 -3.574 9.755 1.00 75.42 O ATOM 1580 CB ASN A 101 31.294 -3.472 10.321 1.00 34.50 C ATOM 1581 CG ASN A 101 30.123 -2.956 11.135 1.00 1.12 C ATOM 1582 OD1 ASN A 101 30.126 -1.812 11.590 1.00 13.10 O ATOM 1583 ND2 ASN A 101 29.115 -3.800 11.323 1.00 50.31 N ATOM 0 H ASN A 101 30.607 -1.588 8.887 1.00 62.11 H new ATOM 0 HA ASN A 101 32.635 -1.868 10.820 1.00 22.01 H new ATOM 0 HB2 ASN A 101 30.920 -3.965 9.424 1.00 34.50 H new ATOM 0 HB3 ASN A 101 31.830 -4.225 10.898 1.00 34.50 H new ATOM 0 HD21 ASN A 101 28.300 -3.509 11.863 1.00 50.31 H new ATOM 0 HD22 ASN A 101 29.156 -4.739 10.927 1.00 50.31 H new ATOM 1590 N LYS A 102 33.467 -2.743 7.850 1.00 15.55 N ATOM 1591 CA LYS A 102 34.545 -3.251 7.011 1.00 74.31 C ATOM 1592 C LYS A 102 35.553 -2.152 6.695 1.00 4.31 C ATOM 1593 O LYS A 102 36.610 -2.411 6.120 1.00 32.45 O ATOM 1594 CB LYS A 102 33.978 -3.827 5.711 1.00 21.01 C ATOM 1595 CG LYS A 102 34.938 -4.756 4.988 1.00 32.33 C ATOM 1596 CD LYS A 102 34.202 -5.699 4.051 1.00 34.34 C ATOM 1597 CE LYS A 102 33.638 -4.961 2.847 1.00 1.20 C ATOM 1598 NZ LYS A 102 34.577 -4.987 1.691 1.00 11.23 N ATOM 0 H LYS A 102 32.747 -2.228 7.344 1.00 15.55 H new ATOM 0 HA LYS A 102 35.057 -4.042 7.559 1.00 74.31 H new ATOM 0 HB2 LYS A 102 33.059 -4.369 5.934 1.00 21.01 H new ATOM 0 HB3 LYS A 102 33.710 -3.006 5.046 1.00 21.01 H new ATOM 0 HG2 LYS A 102 35.658 -4.167 4.421 1.00 32.33 H new ATOM 0 HG3 LYS A 102 35.504 -5.335 5.718 1.00 32.33 H new ATOM 0 HD2 LYS A 102 34.881 -6.482 3.714 1.00 34.34 H new ATOM 0 HD3 LYS A 102 33.392 -6.190 4.590 1.00 34.34 H new ATOM 0 HE2 LYS A 102 32.690 -5.413 2.555 1.00 1.20 H new ATOM 0 HE3 LYS A 102 33.427 -3.927 3.121 1.00 1.20 H new ATOM 0 HZ1 LYS A 102 34.156 -4.474 0.890 1.00 11.23 H new ATOM 0 HZ2 LYS A 102 35.473 -4.533 1.961 1.00 11.23 H new ATOM 0 HZ3 LYS A 102 34.758 -5.973 1.413 1.00 11.23 H new ATOM 1612 N GLY A 103 35.221 -0.922 7.076 1.00 13.01 N ATOM 1613 CA GLY A 103 36.109 0.198 6.826 1.00 40.01 C ATOM 1614 C GLY A 103 35.624 1.081 5.694 1.00 53.33 C ATOM 1615 O GLY A 103 36.329 1.277 4.703 1.00 13.14 O ATOM 0 H GLY A 103 34.352 -0.681 7.554 1.00 13.01 H new ATOM 0 HA2 GLY A 103 36.201 0.794 7.734 1.00 40.01 H new ATOM 0 HA3 GLY A 103 37.104 -0.177 6.589 1.00 40.01 H new ATOM 1619 N PHE A 104 34.415 1.615 5.838 1.00 4.20 N ATOM 1620 CA PHE A 104 33.835 2.480 4.818 1.00 40.43 C ATOM 1621 C PHE A 104 33.011 3.596 5.455 1.00 63.32 C ATOM 1622 O PHE A 104 32.519 3.458 6.575 1.00 3.10 O ATOM 1623 CB PHE A 104 32.959 1.664 3.865 1.00 50.51 C ATOM 1624 CG PHE A 104 33.718 0.616 3.103 1.00 54.15 C ATOM 1625 CD1 PHE A 104 34.022 -0.602 3.689 1.00 1.42 C ATOM 1626 CD2 PHE A 104 34.127 0.849 1.799 1.00 32.43 C ATOM 1627 CE1 PHE A 104 34.720 -1.569 2.990 1.00 12.23 C ATOM 1628 CE2 PHE A 104 34.824 -0.115 1.095 1.00 3.24 C ATOM 1629 CZ PHE A 104 35.122 -1.324 1.692 1.00 63.41 C ATOM 0 H PHE A 104 33.818 1.464 6.651 1.00 4.20 H new ATOM 0 HA PHE A 104 34.651 2.932 4.254 1.00 40.43 H new ATOM 0 HB2 PHE A 104 32.165 1.183 4.436 1.00 50.51 H new ATOM 0 HB3 PHE A 104 32.478 2.340 3.157 1.00 50.51 H new ATOM 0 HD1 PHE A 104 33.710 -0.798 4.704 1.00 1.42 H new ATOM 0 HD2 PHE A 104 33.899 1.794 1.328 1.00 32.43 H new ATOM 0 HE1 PHE A 104 34.950 -2.514 3.458 1.00 12.23 H new ATOM 0 HE2 PHE A 104 35.135 0.077 0.079 1.00 3.24 H new ATOM 0 HZ PHE A 104 35.669 -2.077 1.144 1.00 63.41 H new ATOM 1639 N LYS A 105 32.865 4.702 4.733 1.00 65.42 N ATOM 1640 CA LYS A 105 32.101 5.842 5.225 1.00 64.13 C ATOM 1641 C LYS A 105 30.615 5.670 4.928 1.00 62.22 C ATOM 1642 O LYS A 105 30.238 5.133 3.886 1.00 0.30 O ATOM 1643 CB LYS A 105 32.613 7.137 4.589 1.00 33.14 C ATOM 1644 CG LYS A 105 31.939 8.387 5.129 1.00 31.52 C ATOM 1645 CD LYS A 105 32.248 8.595 6.602 1.00 24.12 C ATOM 1646 CE LYS A 105 31.746 9.945 7.092 1.00 62.52 C ATOM 1647 NZ LYS A 105 30.276 10.090 6.905 1.00 50.30 N ATOM 0 H LYS A 105 33.266 4.833 3.804 1.00 65.42 H new ATOM 0 HA LYS A 105 32.233 5.898 6.306 1.00 64.13 H new ATOM 0 HB2 LYS A 105 33.688 7.213 4.755 1.00 33.14 H new ATOM 0 HB3 LYS A 105 32.459 7.088 3.511 1.00 33.14 H new ATOM 0 HG2 LYS A 105 32.272 9.255 4.560 1.00 31.52 H new ATOM 0 HG3 LYS A 105 30.861 8.309 4.990 1.00 31.52 H new ATOM 0 HD2 LYS A 105 31.787 7.800 7.187 1.00 24.12 H new ATOM 0 HD3 LYS A 105 33.324 8.526 6.762 1.00 24.12 H new ATOM 0 HE2 LYS A 105 31.991 10.063 8.147 1.00 62.52 H new ATOM 0 HE3 LYS A 105 32.261 10.741 6.554 1.00 62.52 H new ATOM 0 HZ1 LYS A 105 29.881 10.657 7.683 1.00 50.30 H new ATOM 0 HZ2 LYS A 105 30.086 10.565 5.999 1.00 50.30 H new ATOM 0 HZ3 LYS A 105 29.832 9.150 6.902 1.00 50.30 H new ATOM 1661 N VAL A 106 29.775 6.130 5.850 1.00 60.24 N ATOM 1662 CA VAL A 106 28.330 6.029 5.685 1.00 12.01 C ATOM 1663 C VAL A 106 27.668 7.399 5.787 1.00 23.21 C ATOM 1664 O VAL A 106 27.872 8.126 6.759 1.00 41.05 O ATOM 1665 CB VAL A 106 27.709 5.092 6.738 1.00 62.31 C ATOM 1666 CG1 VAL A 106 26.216 4.932 6.496 1.00 31.55 C ATOM 1667 CG2 VAL A 106 28.408 3.740 6.725 1.00 14.33 C ATOM 0 H VAL A 106 30.070 6.576 6.718 1.00 60.24 H new ATOM 0 HA VAL A 106 28.153 5.616 4.692 1.00 12.01 H new ATOM 0 HB VAL A 106 27.847 5.538 7.723 1.00 62.31 H new ATOM 0 HG11 VAL A 106 25.795 4.267 7.250 1.00 31.55 H new ATOM 0 HG12 VAL A 106 25.731 5.906 6.560 1.00 31.55 H new ATOM 0 HG13 VAL A 106 26.051 4.509 5.505 1.00 31.55 H new ATOM 0 HG21 VAL A 106 27.957 3.090 7.475 1.00 14.33 H new ATOM 0 HG22 VAL A 106 28.303 3.285 5.740 1.00 14.33 H new ATOM 0 HG23 VAL A 106 29.466 3.875 6.951 1.00 14.33 H new ATOM 1677 N GLU A 107 26.875 7.743 4.778 1.00 52.43 N ATOM 1678 CA GLU A 107 26.183 9.027 4.754 1.00 23.04 C ATOM 1679 C GLU A 107 24.697 8.839 4.462 1.00 4.21 C ATOM 1680 O GLU A 107 24.312 7.979 3.670 1.00 70.42 O ATOM 1681 CB GLU A 107 26.808 9.949 3.705 1.00 1.03 C ATOM 1682 CG GLU A 107 26.025 11.231 3.478 1.00 73.13 C ATOM 1683 CD GLU A 107 26.671 12.134 2.445 1.00 74.33 C ATOM 1684 OE1 GLU A 107 27.789 12.625 2.702 1.00 43.22 O ATOM 1685 OE2 GLU A 107 26.057 12.348 1.378 1.00 14.45 O ATOM 0 H GLU A 107 26.695 7.151 3.967 1.00 52.43 H new ATOM 0 HA GLU A 107 26.287 9.485 5.738 1.00 23.04 H new ATOM 0 HB2 GLU A 107 27.822 10.202 4.014 1.00 1.03 H new ATOM 0 HB3 GLU A 107 26.888 9.410 2.761 1.00 1.03 H new ATOM 0 HG2 GLU A 107 25.014 10.982 3.156 1.00 73.13 H new ATOM 0 HG3 GLU A 107 25.936 11.770 4.421 1.00 73.13 H new ATOM 1692 N THR A 108 23.866 9.651 5.108 1.00 31.33 N ATOM 1693 CA THR A 108 22.423 9.574 4.920 1.00 33.11 C ATOM 1694 C THR A 108 21.868 10.888 4.382 1.00 33.14 C ATOM 1695 O THR A 108 22.189 11.963 4.890 1.00 63.53 O ATOM 1696 CB THR A 108 21.702 9.226 6.236 1.00 23.14 C ATOM 1697 OG1 THR A 108 22.446 9.731 7.351 1.00 43.44 O ATOM 1698 CG2 THR A 108 21.529 7.721 6.377 1.00 53.12 C ATOM 0 H THR A 108 24.168 10.370 5.766 1.00 31.33 H new ATOM 0 HA THR A 108 22.241 8.781 4.194 1.00 33.11 H new ATOM 0 HB THR A 108 20.716 9.690 6.217 1.00 23.14 H new ATOM 0 HG1 THR A 108 21.980 9.507 8.184 1.00 43.44 H new ATOM 0 HG21 THR A 108 21.018 7.500 7.314 1.00 53.12 H new ATOM 0 HG22 THR A 108 20.938 7.343 5.543 1.00 53.12 H new ATOM 0 HG23 THR A 108 22.507 7.241 6.376 1.00 53.12 H new ATOM 1706 N ASP A 109 21.033 10.795 3.354 1.00 75.15 N ATOM 1707 CA ASP A 109 20.431 11.977 2.748 1.00 52.12 C ATOM 1708 C ASP A 109 18.943 11.760 2.493 1.00 35.44 C ATOM 1709 O ASP A 109 18.425 10.659 2.683 1.00 50.33 O ATOM 1710 CB ASP A 109 21.140 12.322 1.437 1.00 31.12 C ATOM 1711 CG ASP A 109 21.305 13.816 1.244 1.00 53.51 C ATOM 1712 OD1 ASP A 109 21.513 14.526 2.250 1.00 23.15 O ATOM 1713 OD2 ASP A 109 21.226 14.277 0.086 1.00 72.31 O ATOM 0 H ASP A 109 20.757 9.913 2.922 1.00 75.15 H new ATOM 0 HA ASP A 109 20.545 12.808 3.444 1.00 52.12 H new ATOM 0 HB2 ASP A 109 22.121 11.846 1.421 1.00 31.12 H new ATOM 0 HB3 ASP A 109 20.573 11.911 0.602 1.00 31.12 H new ATOM 1718 N MET A 110 18.260 12.816 2.064 1.00 1.34 N ATOM 1719 CA MET A 110 16.831 12.740 1.784 1.00 10.21 C ATOM 1720 C MET A 110 16.433 13.749 0.712 1.00 51.33 C ATOM 1721 O MET A 110 17.175 14.689 0.423 1.00 53.11 O ATOM 1722 CB MET A 110 16.025 12.990 3.060 1.00 2.24 C ATOM 1723 CG MET A 110 14.530 12.782 2.885 1.00 33.35 C ATOM 1724 SD MET A 110 13.550 13.825 3.982 1.00 20.25 S ATOM 1725 CE MET A 110 12.397 14.550 2.820 1.00 75.44 C ATOM 0 H MET A 110 18.673 13.735 1.903 1.00 1.34 H new ATOM 0 HA MET A 110 16.612 11.738 1.415 1.00 10.21 H new ATOM 0 HB2 MET A 110 16.387 12.325 3.844 1.00 2.24 H new ATOM 0 HB3 MET A 110 16.204 14.010 3.399 1.00 2.24 H new ATOM 0 HG2 MET A 110 14.257 12.992 1.851 1.00 33.35 H new ATOM 0 HG3 MET A 110 14.288 11.736 3.073 1.00 33.35 H new ATOM 0 HE1 MET A 110 11.722 15.222 3.349 1.00 75.44 H new ATOM 0 HE2 MET A 110 12.947 15.109 2.063 1.00 75.44 H new ATOM 0 HE3 MET A 110 11.820 13.760 2.339 1.00 75.44 H new TER 1735 MET A 110