USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 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 3 GLN : amide:sc= -1.2 X(o=-1,f=-0.57) USER MOD Set 1.2: A 4 ASN : amide:sc= 0.176 K(o=-1,f=-3.3!) USER MOD Set 2.1: A 1 MET CE :methyl 142:sc= -0.0837 (180deg=-1.02) USER MOD Set 2.2: A 72 GLN : amide:sc= -2.15 X(o=-2.2,f=-2.4) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -50:sc= -0.75 USER MOD Single : A 6 GLN : amide:sc= -2.36 K(o=-2.4,f=-7.7!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -135:sc= -5.41! (180deg=-7.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -68:sc= 0.859 USER MOD Single : A 25 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.2!) USER MOD Single : A 27 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.018) USER MOD Single : A 31 SER OG : rot 180:sc= -0.546 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.07 F(o=-2.3,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.03 K(o=-0.03,f=-1.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -65:sc= 1.21 USER MOD Single : A 46 THR OG1 : rot -62:sc= 1.28 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -20:sc= -0.0251 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.298 F(o=-1.2,f=0.3) USER MOD Single : A 53 CYS SG : rot -174:sc= -0.307 USER MOD Single : A 57 THR OG1 : rot -116:sc= 0.982 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -84:sc= 0.163 USER MOD Single : A 77 LYS NZ :NH3+ -106:sc= 0.46 (180deg=-3.46!) USER MOD Single : A 83 MET CE :methyl -139:sc= -4.42! (180deg=-8.71!) USER MOD Single : A 85 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.3!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.977 F(o=-1.5,f=-0.98) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= -0.0324 (180deg=-0.111) USER MOD Single : A 115 TYR OH : rot 93:sc= 0.163 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.591 F(o=-1.3,f=-0.59) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.810 -1.879 -2.067 1.00 33.22 N ATOM 2 CA MET A 1 0.860 -0.426 -2.180 1.00 20.11 C ATOM 3 C MET A 1 1.964 0.150 -1.298 1.00 73.14 C ATOM 4 O MET A 1 1.929 0.014 -0.075 1.00 72.35 O ATOM 5 CB MET A 1 -0.489 0.184 -1.793 1.00 25.13 C ATOM 6 CG MET A 1 -0.891 1.367 -2.658 1.00 72.01 C ATOM 7 SD MET A 1 0.212 2.780 -2.460 1.00 73.43 S ATOM 8 CE MET A 1 0.370 3.326 -4.159 1.00 22.13 C ATOM 0 H1 MET A 1 0.052 -2.249 -2.675 1.00 33.22 H new ATOM 0 H2 MET A 1 1.721 -2.282 -2.366 1.00 33.22 H new ATOM 0 H3 MET A 1 0.621 -2.144 -1.079 1.00 33.22 H new ATOM 0 HA MET A 1 1.080 -0.174 -3.218 1.00 20.11 H new ATOM 0 HB2 MET A 1 -1.259 -0.584 -1.862 1.00 25.13 H new ATOM 0 HB3 MET A 1 -0.449 0.503 -0.751 1.00 25.13 H new ATOM 0 HG2 MET A 1 -0.899 1.061 -3.704 1.00 72.01 H new ATOM 0 HG3 MET A 1 -1.908 1.667 -2.406 1.00 72.01 H new ATOM 0 HE1 MET A 1 0.392 4.415 -4.191 1.00 22.13 H new ATOM 0 HE2 MET A 1 1.293 2.932 -4.584 1.00 22.13 H new ATOM 0 HE3 MET A 1 -0.479 2.964 -4.738 1.00 22.13 H new ATOM 18 N SER A 2 2.942 0.793 -1.927 1.00 41.23 N ATOM 19 CA SER A 2 4.058 1.386 -1.200 1.00 2.21 C ATOM 20 C SER A 2 3.565 2.439 -0.212 1.00 33.21 C ATOM 21 O SER A 2 2.369 2.718 -0.132 1.00 73.44 O ATOM 22 CB SER A 2 5.055 2.014 -2.176 1.00 53.22 C ATOM 23 OG SER A 2 4.938 1.437 -3.465 1.00 41.53 O ATOM 0 H SER A 2 2.984 0.917 -2.939 1.00 41.23 H new ATOM 0 HA SER A 2 4.557 0.594 -0.642 1.00 2.21 H new ATOM 0 HB2 SER A 2 4.881 3.088 -2.238 1.00 53.22 H new ATOM 0 HB3 SER A 2 6.070 1.876 -1.803 1.00 53.22 H new ATOM 0 HG SER A 2 4.959 0.460 -3.389 1.00 41.53 H new ATOM 29 N GLN A 3 4.495 3.019 0.539 1.00 45.22 N ATOM 30 CA GLN A 3 4.156 4.040 1.522 1.00 14.54 C ATOM 31 C GLN A 3 4.273 5.437 0.920 1.00 24.32 C ATOM 32 O GLN A 3 5.146 5.694 0.093 1.00 43.55 O ATOM 33 CB GLN A 3 5.065 3.922 2.747 1.00 74.11 C ATOM 34 CG GLN A 3 4.311 3.930 4.067 1.00 21.31 C ATOM 35 CD GLN A 3 3.304 5.059 4.158 1.00 42.54 C ATOM 36 OE1 GLN A 3 2.094 4.833 4.123 1.00 25.52 O ATOM 37 NE2 GLN A 3 3.799 6.286 4.274 1.00 3.13 N ATOM 0 H GLN A 3 5.490 2.799 0.485 1.00 45.22 H new ATOM 0 HA GLN A 3 3.122 3.882 1.829 1.00 14.54 H new ATOM 0 HB2 GLN A 3 5.642 3.000 2.673 1.00 74.11 H new ATOM 0 HB3 GLN A 3 5.778 4.746 2.741 1.00 74.11 H new ATOM 0 HG2 GLN A 3 3.796 2.978 4.192 1.00 21.31 H new ATOM 0 HG3 GLN A 3 5.023 4.017 4.887 1.00 21.31 H new ATOM 0 HE21 GLN A 3 4.809 6.428 4.299 1.00 3.13 H new ATOM 0 HE22 GLN A 3 3.169 7.086 4.338 1.00 3.13 H new ATOM 46 N ASN A 4 3.388 6.334 1.342 1.00 43.23 N ATOM 47 CA ASN A 4 3.393 7.705 0.843 1.00 73.31 C ATOM 48 C ASN A 4 3.915 8.668 1.904 1.00 2.13 C ATOM 49 O ASN A 4 3.144 9.391 2.534 1.00 14.43 O ATOM 50 CB ASN A 4 1.984 8.117 0.413 1.00 54.42 C ATOM 51 CG ASN A 4 0.915 7.595 1.354 1.00 64.32 C ATOM 52 OD1 ASN A 4 1.149 7.442 2.553 1.00 44.22 O ATOM 53 ND2 ASN A 4 -0.265 7.317 0.813 1.00 52.32 N ATOM 0 H ASN A 4 2.659 6.137 2.028 1.00 43.23 H new ATOM 0 HA ASN A 4 4.057 7.749 -0.020 1.00 73.31 H new ATOM 0 HB2 ASN A 4 1.925 9.204 0.368 1.00 54.42 H new ATOM 0 HB3 ASN A 4 1.791 7.745 -0.593 1.00 54.42 H new ATOM 0 HD21 ASN A 4 -1.022 6.961 1.396 1.00 52.32 H new ATOM 0 HD22 ASN A 4 -0.414 7.459 -0.186 1.00 52.32 H new ATOM 60 N ARG A 5 5.230 8.672 2.096 1.00 43.11 N ATOM 61 CA ARG A 5 5.856 9.546 3.081 1.00 61.10 C ATOM 62 C ARG A 5 7.372 9.567 2.904 1.00 34.12 C ATOM 63 O ARG A 5 7.941 10.569 2.474 1.00 44.13 O ATOM 64 CB ARG A 5 5.504 9.088 4.497 1.00 35.04 C ATOM 65 CG ARG A 5 5.675 10.172 5.548 1.00 2.45 C ATOM 66 CD ARG A 5 7.121 10.279 6.008 1.00 32.33 C ATOM 67 NE ARG A 5 7.224 10.765 7.381 1.00 10.24 N ATOM 68 CZ ARG A 5 7.145 12.049 7.714 1.00 24.22 C ATOM 69 NH1 ARG A 5 6.963 12.970 6.778 1.00 62.21 N ATOM 70 NH2 ARG A 5 7.249 12.413 8.986 1.00 54.32 N ATOM 0 H ARG A 5 5.883 8.080 1.582 1.00 43.11 H new ATOM 0 HA ARG A 5 5.475 10.556 2.928 1.00 61.10 H new ATOM 0 HB2 ARG A 5 4.471 8.740 4.511 1.00 35.04 H new ATOM 0 HB3 ARG A 5 6.131 8.236 4.761 1.00 35.04 H new ATOM 0 HG2 ARG A 5 5.350 11.129 5.141 1.00 2.45 H new ATOM 0 HG3 ARG A 5 5.035 9.955 6.403 1.00 2.45 H new ATOM 0 HD2 ARG A 5 7.599 9.302 5.932 1.00 32.33 H new ATOM 0 HD3 ARG A 5 7.664 10.951 5.344 1.00 32.33 H new ATOM 0 HE ARG A 5 7.364 10.082 8.125 1.00 10.24 H new ATOM 0 HH11 ARG A 5 6.883 12.694 5.799 1.00 62.21 H new ATOM 0 HH12 ARG A 5 6.903 13.955 7.036 1.00 62.21 H new ATOM 0 HH21 ARG A 5 7.390 11.707 9.709 1.00 54.32 H new ATOM 0 HH22 ARG A 5 7.188 13.399 9.241 1.00 54.32 H new ATOM 84 N GLN A 6 8.017 8.454 3.240 1.00 52.51 N ATOM 85 CA GLN A 6 9.466 8.346 3.119 1.00 11.42 C ATOM 86 C GLN A 6 9.860 7.032 2.453 1.00 42.41 C ATOM 87 O GLN A 6 9.121 6.048 2.511 1.00 5.41 O ATOM 88 CB GLN A 6 10.123 8.451 4.497 1.00 72.33 C ATOM 89 CG GLN A 6 10.243 7.117 5.216 1.00 62.21 C ATOM 90 CD GLN A 6 8.907 6.421 5.383 1.00 54.11 C ATOM 91 OE1 GLN A 6 7.916 7.040 5.773 1.00 61.10 O ATOM 92 NE2 GLN A 6 8.872 5.127 5.087 1.00 34.05 N ATOM 0 H GLN A 6 7.559 7.615 3.598 1.00 52.51 H new ATOM 0 HA GLN A 6 9.816 9.168 2.494 1.00 11.42 H new ATOM 0 HB2 GLN A 6 11.117 8.885 4.385 1.00 72.33 H new ATOM 0 HB3 GLN A 6 9.544 9.137 5.115 1.00 72.33 H new ATOM 0 HG2 GLN A 6 10.919 6.468 4.659 1.00 62.21 H new ATOM 0 HG3 GLN A 6 10.690 7.277 6.197 1.00 62.21 H new ATOM 0 HE21 GLN A 6 9.717 4.654 4.767 1.00 34.05 H new ATOM 0 HE22 GLN A 6 8.000 4.606 5.179 1.00 34.05 H new ATOM 101 N LEU A 7 11.028 7.023 1.820 1.00 41.10 N ATOM 102 CA LEU A 7 11.521 5.829 1.142 1.00 41.34 C ATOM 103 C LEU A 7 12.728 5.248 1.871 1.00 70.10 C ATOM 104 O LEU A 7 13.752 5.914 2.029 1.00 13.31 O ATOM 105 CB LEU A 7 11.895 6.158 -0.305 1.00 12.33 C ATOM 106 CG LEU A 7 10.790 5.964 -1.344 1.00 64.32 C ATOM 107 CD1 LEU A 7 10.750 4.518 -1.816 1.00 13.34 C ATOM 108 CD2 LEU A 7 9.442 6.379 -0.774 1.00 20.31 C ATOM 0 H LEU A 7 11.651 7.829 1.762 1.00 41.10 H new ATOM 0 HA LEU A 7 10.725 5.085 1.145 1.00 41.34 H new ATOM 0 HB2 LEU A 7 12.227 7.195 -0.347 1.00 12.33 H new ATOM 0 HB3 LEU A 7 12.746 5.539 -0.589 1.00 12.33 H new ATOM 0 HG LEU A 7 11.009 6.599 -2.202 1.00 64.32 H new ATOM 0 HD11 LEU A 7 9.958 4.398 -2.555 1.00 13.34 H new ATOM 0 HD12 LEU A 7 11.708 4.255 -2.265 1.00 13.34 H new ATOM 0 HD13 LEU A 7 10.556 3.863 -0.967 1.00 13.34 H new ATOM 0 HD21 LEU A 7 8.668 6.234 -1.528 1.00 20.31 H new ATOM 0 HD22 LEU A 7 9.214 5.771 0.102 1.00 20.31 H new ATOM 0 HD23 LEU A 7 9.476 7.430 -0.487 1.00 20.31 H new ATOM 120 N LEU A 8 12.602 4.001 2.312 1.00 51.13 N ATOM 121 CA LEU A 8 13.683 3.328 3.023 1.00 64.14 C ATOM 122 C LEU A 8 14.959 3.313 2.186 1.00 12.21 C ATOM 123 O LEU A 8 15.911 4.038 2.475 1.00 41.12 O ATOM 124 CB LEU A 8 13.275 1.897 3.376 1.00 71.44 C ATOM 125 CG LEU A 8 13.046 1.611 4.860 1.00 33.22 C ATOM 126 CD1 LEU A 8 14.272 1.996 5.673 1.00 31.43 C ATOM 127 CD2 LEU A 8 11.816 2.353 5.363 1.00 51.04 C ATOM 0 H LEU A 8 11.762 3.436 2.190 1.00 51.13 H new ATOM 0 HA LEU A 8 13.879 3.880 3.942 1.00 64.14 H new ATOM 0 HB2 LEU A 8 12.360 1.658 2.835 1.00 71.44 H new ATOM 0 HB3 LEU A 8 14.047 1.220 3.011 1.00 71.44 H new ATOM 0 HG LEU A 8 12.875 0.541 4.982 1.00 33.22 H new ATOM 0 HD11 LEU A 8 14.091 1.785 6.727 1.00 31.43 H new ATOM 0 HD12 LEU A 8 15.131 1.420 5.330 1.00 31.43 H new ATOM 0 HD13 LEU A 8 14.474 3.059 5.545 1.00 31.43 H new ATOM 0 HD21 LEU A 8 11.669 2.137 6.421 1.00 51.04 H new ATOM 0 HD22 LEU A 8 11.957 3.425 5.227 1.00 51.04 H new ATOM 0 HD23 LEU A 8 10.940 2.028 4.801 1.00 51.04 H new ATOM 139 N TYR A 9 14.969 2.485 1.148 1.00 62.13 N ATOM 140 CA TYR A 9 16.128 2.376 0.269 1.00 75.42 C ATOM 141 C TYR A 9 15.770 1.630 -1.013 1.00 62.03 C ATOM 142 O TYR A 9 16.111 0.461 -1.198 1.00 42.51 O ATOM 143 CB TYR A 9 17.273 1.659 0.986 1.00 13.14 C ATOM 144 CG TYR A 9 16.809 0.585 1.944 1.00 22.30 C ATOM 145 CD1 TYR A 9 16.585 -0.715 1.505 1.00 1.53 C ATOM 146 CD2 TYR A 9 16.595 0.869 3.287 1.00 75.20 C ATOM 147 CE1 TYR A 9 16.161 -1.699 2.376 1.00 31.44 C ATOM 148 CE2 TYR A 9 16.172 -0.110 4.165 1.00 31.04 C ATOM 149 CZ TYR A 9 15.956 -1.392 3.705 1.00 22.34 C ATOM 150 OH TYR A 9 15.534 -2.370 4.577 1.00 52.20 O ATOM 0 H TYR A 9 14.188 1.880 0.894 1.00 62.13 H new ATOM 0 HA TYR A 9 16.448 3.384 0.005 1.00 75.42 H new ATOM 0 HB2 TYR A 9 17.932 1.211 0.243 1.00 13.14 H new ATOM 0 HB3 TYR A 9 17.863 2.393 1.534 1.00 13.14 H new ATOM 0 HD1 TYR A 9 16.745 -0.959 0.465 1.00 1.53 H new ATOM 0 HD2 TYR A 9 16.762 1.872 3.651 1.00 75.20 H new ATOM 0 HE1 TYR A 9 15.991 -2.704 2.018 1.00 31.44 H new ATOM 0 HE2 TYR A 9 16.011 0.127 5.206 1.00 31.04 H new ATOM 0 HH TYR A 9 15.439 -1.989 5.475 1.00 52.20 H new ATOM 160 N PRO A 10 15.066 2.321 -1.922 1.00 3.41 N ATOM 161 CA PRO A 10 14.648 1.746 -3.204 1.00 14.43 C ATOM 162 C PRO A 10 15.823 1.515 -4.147 1.00 22.53 C ATOM 163 O PRO A 10 16.526 2.454 -4.520 1.00 61.32 O ATOM 164 CB PRO A 10 13.704 2.806 -3.777 1.00 14.55 C ATOM 165 CG PRO A 10 14.138 4.083 -3.143 1.00 64.12 C ATOM 166 CD PRO A 10 14.626 3.718 -1.768 1.00 54.02 C ATOM 0 HA PRO A 10 14.187 0.766 -3.080 1.00 14.43 H new ATOM 0 HB2 PRO A 10 13.780 2.858 -4.863 1.00 14.55 H new ATOM 0 HB3 PRO A 10 12.664 2.580 -3.540 1.00 14.55 H new ATOM 0 HG2 PRO A 10 14.928 4.558 -3.724 1.00 64.12 H new ATOM 0 HG3 PRO A 10 13.312 4.792 -3.088 1.00 64.12 H new ATOM 0 HD2 PRO A 10 15.443 4.364 -1.447 1.00 54.02 H new ATOM 0 HD3 PRO A 10 13.835 3.811 -1.023 1.00 54.02 H new ATOM 174 N ARG A 11 16.031 0.259 -4.528 1.00 71.44 N ATOM 175 CA ARG A 11 17.122 -0.096 -5.428 1.00 23.14 C ATOM 176 C ARG A 11 17.113 -1.592 -5.730 1.00 42.31 C ATOM 177 O ARG A 11 17.379 -2.008 -6.857 1.00 54.33 O ATOM 178 CB ARG A 11 18.466 0.303 -4.815 1.00 41.13 C ATOM 179 CG ARG A 11 18.602 -0.071 -3.349 1.00 24.45 C ATOM 180 CD ARG A 11 20.057 -0.072 -2.906 1.00 44.35 C ATOM 181 NE ARG A 11 20.347 -1.160 -1.977 1.00 32.31 N ATOM 182 CZ ARG A 11 21.537 -1.355 -1.420 1.00 42.45 C ATOM 183 NH1 ARG A 11 22.544 -0.537 -1.698 1.00 33.40 N ATOM 184 NH2 ARG A 11 21.723 -2.368 -0.584 1.00 55.10 N ATOM 0 H ARG A 11 15.458 -0.530 -4.228 1.00 71.44 H new ATOM 0 HA ARG A 11 16.980 0.447 -6.363 1.00 23.14 H new ATOM 0 HB2 ARG A 11 19.268 -0.173 -5.379 1.00 41.13 H new ATOM 0 HB3 ARG A 11 18.598 1.380 -4.920 1.00 41.13 H new ATOM 0 HG2 ARG A 11 18.035 0.633 -2.739 1.00 24.45 H new ATOM 0 HG3 ARG A 11 18.169 -1.058 -3.183 1.00 24.45 H new ATOM 0 HD2 ARG A 11 20.702 -0.161 -3.780 1.00 44.35 H new ATOM 0 HD3 ARG A 11 20.292 0.881 -2.432 1.00 44.35 H new ATOM 0 HE ARG A 11 19.594 -1.807 -1.742 1.00 32.31 H new ATOM 0 HH11 ARG A 11 22.405 0.243 -2.340 1.00 33.40 H new ATOM 0 HH12 ARG A 11 23.457 -0.688 -1.269 1.00 33.40 H new ATOM 0 HH21 ARG A 11 20.951 -2.999 -0.368 1.00 55.10 H new ATOM 0 HH22 ARG A 11 22.638 -2.516 -0.157 1.00 55.10 H new ATOM 198 N GLU A 12 16.807 -2.394 -4.715 1.00 54.23 N ATOM 199 CA GLU A 12 16.765 -3.843 -4.873 1.00 53.34 C ATOM 200 C GLU A 12 15.859 -4.237 -6.036 1.00 71.24 C ATOM 201 O GLU A 12 16.062 -5.272 -6.670 1.00 74.04 O ATOM 202 CB GLU A 12 16.275 -4.505 -3.584 1.00 12.22 C ATOM 203 CG GLU A 12 17.183 -5.617 -3.088 1.00 20.42 C ATOM 204 CD GLU A 12 17.916 -5.247 -1.813 1.00 62.31 C ATOM 205 OE1 GLU A 12 18.859 -4.431 -1.887 1.00 73.12 O ATOM 206 OE2 GLU A 12 17.548 -5.773 -0.742 1.00 62.52 O ATOM 0 H GLU A 12 16.585 -2.065 -3.775 1.00 54.23 H new ATOM 0 HA GLU A 12 17.776 -4.189 -5.089 1.00 53.34 H new ATOM 0 HB2 GLU A 12 16.186 -3.746 -2.807 1.00 12.22 H new ATOM 0 HB3 GLU A 12 15.277 -4.910 -3.750 1.00 12.22 H new ATOM 0 HG2 GLU A 12 16.590 -6.515 -2.914 1.00 20.42 H new ATOM 0 HG3 GLU A 12 17.910 -5.860 -3.863 1.00 20.42 H new ATOM 213 N GLU A 13 14.859 -3.404 -6.309 1.00 62.41 N ATOM 214 CA GLU A 13 13.922 -3.667 -7.395 1.00 34.15 C ATOM 215 C GLU A 13 14.449 -3.114 -8.715 1.00 41.41 C ATOM 216 O GLU A 13 14.238 -3.702 -9.775 1.00 50.12 O ATOM 217 CB GLU A 13 12.557 -3.051 -7.080 1.00 12.04 C ATOM 218 CG GLU A 13 12.623 -1.576 -6.722 1.00 51.45 C ATOM 219 CD GLU A 13 11.251 -0.938 -6.619 1.00 72.32 C ATOM 220 OE1 GLU A 13 10.625 -0.702 -7.673 1.00 41.55 O ATOM 221 OE2 GLU A 13 10.803 -0.677 -5.483 1.00 51.30 O ATOM 0 H GLU A 13 14.677 -2.543 -5.794 1.00 62.41 H new ATOM 0 HA GLU A 13 13.812 -4.747 -7.492 1.00 34.15 H new ATOM 0 HB2 GLU A 13 11.903 -3.178 -7.943 1.00 12.04 H new ATOM 0 HB3 GLU A 13 12.104 -3.597 -6.253 1.00 12.04 H new ATOM 0 HG2 GLU A 13 13.146 -1.460 -5.773 1.00 51.45 H new ATOM 0 HG3 GLU A 13 13.209 -1.049 -7.475 1.00 51.45 H new ATOM 228 N MET A 14 15.136 -1.978 -8.642 1.00 31.22 N ATOM 229 CA MET A 14 15.694 -1.345 -9.831 1.00 24.20 C ATOM 230 C MET A 14 16.492 -2.349 -10.657 1.00 60.04 C ATOM 231 O MET A 14 16.385 -2.383 -11.883 1.00 73.43 O ATOM 232 CB MET A 14 16.588 -0.168 -9.436 1.00 52.32 C ATOM 233 CG MET A 14 16.268 1.116 -10.186 1.00 24.43 C ATOM 234 SD MET A 14 14.738 1.886 -9.624 1.00 31.53 S ATOM 235 CE MET A 14 13.650 1.521 -11.000 1.00 5.15 C ATOM 0 H MET A 14 15.319 -1.478 -7.772 1.00 31.22 H new ATOM 0 HA MET A 14 14.867 -0.977 -10.438 1.00 24.20 H new ATOM 0 HB2 MET A 14 16.487 0.011 -8.366 1.00 52.32 H new ATOM 0 HB3 MET A 14 17.629 -0.436 -9.618 1.00 52.32 H new ATOM 0 HG2 MET A 14 17.091 1.820 -10.062 1.00 24.43 H new ATOM 0 HG3 MET A 14 16.191 0.900 -11.252 1.00 24.43 H new ATOM 0 HE1 MET A 14 13.082 2.414 -11.261 1.00 5.15 H new ATOM 0 HE2 MET A 14 14.243 1.204 -11.858 1.00 5.15 H new ATOM 0 HE3 MET A 14 12.963 0.723 -10.719 1.00 5.15 H new ATOM 245 N VAL A 15 17.292 -3.165 -9.978 1.00 44.34 N ATOM 246 CA VAL A 15 18.108 -4.170 -10.650 1.00 55.11 C ATOM 247 C VAL A 15 17.242 -5.287 -11.222 1.00 11.02 C ATOM 248 O VAL A 15 17.590 -5.902 -12.230 1.00 54.41 O ATOM 249 CB VAL A 15 19.148 -4.780 -9.692 1.00 72.43 C ATOM 250 CG1 VAL A 15 20.075 -3.702 -9.152 1.00 54.14 C ATOM 251 CG2 VAL A 15 18.456 -5.519 -8.556 1.00 44.30 C ATOM 0 H VAL A 15 17.393 -3.150 -8.963 1.00 44.34 H new ATOM 0 HA VAL A 15 18.628 -3.664 -11.464 1.00 55.11 H new ATOM 0 HB VAL A 15 19.751 -5.498 -10.248 1.00 72.43 H new ATOM 0 HG11 VAL A 15 20.803 -4.153 -8.477 1.00 54.14 H new ATOM 0 HG12 VAL A 15 20.597 -3.222 -9.980 1.00 54.14 H new ATOM 0 HG13 VAL A 15 19.491 -2.957 -8.611 1.00 54.14 H new ATOM 0 HG21 VAL A 15 19.206 -5.944 -7.888 1.00 44.30 H new ATOM 0 HG22 VAL A 15 17.827 -4.824 -8.000 1.00 44.30 H new ATOM 0 HG23 VAL A 15 17.839 -6.319 -8.965 1.00 44.30 H new ATOM 261 N SER A 16 16.112 -5.545 -10.571 1.00 51.51 N ATOM 262 CA SER A 16 15.197 -6.590 -11.013 1.00 32.54 C ATOM 263 C SER A 16 14.790 -6.377 -12.467 1.00 75.44 C ATOM 264 O SER A 16 14.848 -7.299 -13.282 1.00 61.23 O ATOM 265 CB SER A 16 13.953 -6.619 -10.122 1.00 2.01 C ATOM 266 OG SER A 16 13.572 -7.950 -9.822 1.00 35.25 O ATOM 0 H SER A 16 15.809 -5.044 -9.736 1.00 51.51 H new ATOM 0 HA SER A 16 15.713 -7.547 -10.935 1.00 32.54 H new ATOM 0 HB2 SER A 16 14.151 -6.077 -9.197 1.00 2.01 H new ATOM 0 HB3 SER A 16 13.131 -6.106 -10.622 1.00 2.01 H new ATOM 0 HG SER A 16 12.776 -7.941 -9.250 1.00 35.25 H new ATOM 272 N LEU A 17 14.376 -5.156 -12.786 1.00 45.24 N ATOM 273 CA LEU A 17 13.959 -4.819 -14.143 1.00 72.31 C ATOM 274 C LEU A 17 15.073 -5.109 -15.144 1.00 20.24 C ATOM 275 O LEU A 17 14.939 -5.981 -16.002 1.00 62.05 O ATOM 276 CB LEU A 17 13.557 -3.346 -14.223 1.00 55.43 C ATOM 277 CG LEU A 17 12.445 -2.901 -13.272 1.00 2.50 C ATOM 278 CD1 LEU A 17 11.520 -4.064 -12.951 1.00 13.21 C ATOM 279 CD2 LEU A 17 13.036 -2.319 -11.996 1.00 65.01 C ATOM 0 H LEU A 17 14.320 -4.382 -12.124 1.00 45.24 H new ATOM 0 HA LEU A 17 13.099 -5.439 -14.396 1.00 72.31 H new ATOM 0 HB2 LEU A 17 14.440 -2.738 -14.027 1.00 55.43 H new ATOM 0 HB3 LEU A 17 13.242 -3.131 -15.244 1.00 55.43 H new ATOM 0 HG LEU A 17 11.860 -2.124 -13.765 1.00 2.50 H new ATOM 0 HD11 LEU A 17 10.735 -3.728 -12.273 1.00 13.21 H new ATOM 0 HD12 LEU A 17 11.070 -4.436 -13.872 1.00 13.21 H new ATOM 0 HD13 LEU A 17 12.091 -4.863 -12.478 1.00 13.21 H new ATOM 0 HD21 LEU A 17 12.230 -2.008 -11.331 1.00 65.01 H new ATOM 0 HD22 LEU A 17 13.645 -3.075 -11.499 1.00 65.01 H new ATOM 0 HD23 LEU A 17 13.657 -1.457 -12.242 1.00 65.01 H new ATOM 291 N VAL A 18 16.174 -4.374 -15.025 1.00 51.32 N ATOM 292 CA VAL A 18 17.313 -4.554 -15.917 1.00 3.21 C ATOM 293 C VAL A 18 17.725 -6.020 -15.993 1.00 3.32 C ATOM 294 O VAL A 18 18.195 -6.490 -17.029 1.00 74.21 O ATOM 295 CB VAL A 18 18.522 -3.715 -15.460 1.00 33.21 C ATOM 296 CG1 VAL A 18 18.973 -4.142 -14.072 1.00 4.35 C ATOM 297 CG2 VAL A 18 19.661 -3.835 -16.460 1.00 44.54 C ATOM 0 H VAL A 18 16.301 -3.648 -14.320 1.00 51.32 H new ATOM 0 HA VAL A 18 16.998 -4.216 -16.904 1.00 3.21 H new ATOM 0 HB VAL A 18 18.220 -2.669 -15.412 1.00 33.21 H new ATOM 0 HG11 VAL A 18 19.828 -3.539 -13.766 1.00 4.35 H new ATOM 0 HG12 VAL A 18 18.156 -4.000 -13.364 1.00 4.35 H new ATOM 0 HG13 VAL A 18 19.259 -5.194 -14.090 1.00 4.35 H new ATOM 0 HG21 VAL A 18 20.507 -3.236 -16.122 1.00 44.54 H new ATOM 0 HG22 VAL A 18 19.965 -4.879 -16.542 1.00 44.54 H new ATOM 0 HG23 VAL A 18 19.329 -3.476 -17.434 1.00 44.54 H new ATOM 307 N ARG A 19 17.546 -6.737 -14.888 1.00 44.23 N ATOM 308 CA ARG A 19 17.900 -8.150 -14.829 1.00 42.12 C ATOM 309 C ARG A 19 16.926 -8.989 -15.651 1.00 21.22 C ATOM 310 O ARG A 19 17.319 -9.964 -16.292 1.00 14.01 O ATOM 311 CB ARG A 19 17.910 -8.635 -13.378 1.00 51.14 C ATOM 312 CG ARG A 19 19.238 -8.417 -12.672 1.00 41.12 C ATOM 313 CD ARG A 19 19.985 -9.726 -12.474 1.00 63.53 C ATOM 314 NE ARG A 19 20.032 -10.520 -13.699 1.00 64.42 N ATOM 315 CZ ARG A 19 20.515 -11.757 -13.756 1.00 14.25 C ATOM 316 NH1 ARG A 19 20.988 -12.338 -12.662 1.00 1.32 N ATOM 317 NH2 ARG A 19 20.523 -12.415 -14.908 1.00 4.03 N ATOM 0 H ARG A 19 17.158 -6.363 -14.022 1.00 44.23 H new ATOM 0 HA ARG A 19 18.898 -8.267 -15.250 1.00 42.12 H new ATOM 0 HB2 ARG A 19 17.125 -8.118 -12.826 1.00 51.14 H new ATOM 0 HB3 ARG A 19 17.667 -9.697 -13.357 1.00 51.14 H new ATOM 0 HG2 ARG A 19 19.853 -7.731 -13.255 1.00 41.12 H new ATOM 0 HG3 ARG A 19 19.064 -7.946 -11.704 1.00 41.12 H new ATOM 0 HD2 ARG A 19 21.001 -9.517 -12.139 1.00 63.53 H new ATOM 0 HD3 ARG A 19 19.502 -10.304 -11.686 1.00 63.53 H new ATOM 0 HE ARG A 19 19.674 -10.102 -14.558 1.00 64.42 H new ATOM 0 HH11 ARG A 19 20.982 -11.836 -11.774 1.00 1.32 H new ATOM 0 HH12 ARG A 19 21.358 -13.287 -12.708 1.00 1.32 H new ATOM 0 HH21 ARG A 19 20.158 -11.972 -15.751 1.00 4.03 H new ATOM 0 HH22 ARG A 19 20.894 -13.364 -14.951 1.00 4.03 H new ATOM 331 N SER A 20 15.654 -8.604 -15.626 1.00 42.31 N ATOM 332 CA SER A 20 14.623 -9.323 -16.365 1.00 0.11 C ATOM 333 C SER A 20 14.906 -9.291 -17.864 1.00 0.53 C ATOM 334 O SER A 20 14.571 -10.227 -18.591 1.00 42.51 O ATOM 335 CB SER A 20 13.247 -8.718 -16.081 1.00 52.11 C ATOM 336 OG SER A 20 12.943 -7.686 -17.003 1.00 44.25 O ATOM 0 H SER A 20 15.313 -7.798 -15.102 1.00 42.31 H new ATOM 0 HA SER A 20 14.631 -10.361 -16.034 1.00 0.11 H new ATOM 0 HB2 SER A 20 12.486 -9.496 -16.137 1.00 52.11 H new ATOM 0 HB3 SER A 20 13.223 -8.322 -15.066 1.00 52.11 H new ATOM 0 HG SER A 20 13.541 -6.925 -16.850 1.00 44.25 H new ATOM 342 N LEU A 21 15.525 -8.207 -18.319 1.00 53.21 N ATOM 343 CA LEU A 21 15.854 -8.050 -19.732 1.00 30.43 C ATOM 344 C LEU A 21 17.332 -8.333 -19.981 1.00 1.22 C ATOM 345 O LEU A 21 18.138 -8.342 -19.050 1.00 40.12 O ATOM 346 CB LEU A 21 15.506 -6.637 -20.203 1.00 64.43 C ATOM 347 CG LEU A 21 16.390 -5.513 -19.663 1.00 3.14 C ATOM 348 CD1 LEU A 21 17.170 -4.857 -20.792 1.00 11.14 C ATOM 349 CD2 LEU A 21 15.549 -4.482 -18.923 1.00 64.24 C ATOM 0 H LEU A 21 15.809 -7.424 -17.730 1.00 53.21 H new ATOM 0 HA LEU A 21 15.265 -8.770 -20.300 1.00 30.43 H new ATOM 0 HB2 LEU A 21 15.552 -6.617 -21.292 1.00 64.43 H new ATOM 0 HB3 LEU A 21 14.474 -6.426 -19.924 1.00 64.43 H new ATOM 0 HG LEU A 21 17.103 -5.944 -18.960 1.00 3.14 H new ATOM 0 HD11 LEU A 21 17.793 -4.059 -20.388 1.00 11.14 H new ATOM 0 HD12 LEU A 21 17.802 -5.601 -21.278 1.00 11.14 H new ATOM 0 HD13 LEU A 21 16.475 -4.440 -21.520 1.00 11.14 H new ATOM 0 HD21 LEU A 21 16.195 -3.689 -18.545 1.00 64.24 H new ATOM 0 HD22 LEU A 21 14.812 -4.056 -19.604 1.00 64.24 H new ATOM 0 HD23 LEU A 21 15.037 -4.961 -18.089 1.00 64.24 H new ATOM 361 N ASP A 22 17.681 -8.561 -21.242 1.00 40.42 N ATOM 362 CA ASP A 22 19.063 -8.840 -21.615 1.00 0.23 C ATOM 363 C ASP A 22 19.173 -9.142 -23.106 1.00 24.22 C ATOM 364 O ASP A 22 19.029 -10.289 -23.529 1.00 33.20 O ATOM 365 CB ASP A 22 19.605 -10.016 -20.802 1.00 20.44 C ATOM 366 CG ASP A 22 20.927 -9.697 -20.132 1.00 22.20 C ATOM 367 OD1 ASP A 22 20.910 -9.057 -19.060 1.00 34.51 O ATOM 368 OD2 ASP A 22 21.980 -10.086 -20.681 1.00 33.44 O ATOM 0 H ASP A 22 17.026 -8.558 -22.024 1.00 40.42 H new ATOM 0 HA ASP A 22 19.658 -7.953 -21.398 1.00 0.23 H new ATOM 0 HB2 ASP A 22 18.875 -10.296 -20.043 1.00 20.44 H new ATOM 0 HB3 ASP A 22 19.732 -10.879 -21.456 1.00 20.44 H new ATOM 373 N ARG A 23 19.429 -8.106 -23.897 1.00 44.32 N ATOM 374 CA ARG A 23 19.557 -8.260 -25.341 1.00 73.13 C ATOM 375 C ARG A 23 20.179 -7.016 -25.968 1.00 52.14 C ATOM 376 O ARG A 23 19.539 -6.287 -26.728 1.00 24.54 O ATOM 377 CB ARG A 23 18.188 -8.531 -25.969 1.00 43.13 C ATOM 378 CG ARG A 23 18.251 -9.397 -27.216 1.00 62.54 C ATOM 379 CD ARG A 23 18.699 -10.813 -26.889 1.00 32.41 C ATOM 380 NE ARG A 23 17.938 -11.386 -25.782 1.00 14.22 N ATOM 381 CZ ARG A 23 16.740 -11.943 -25.924 1.00 1.02 C ATOM 382 NH1 ARG A 23 16.171 -12.003 -27.120 1.00 12.23 N ATOM 383 NH2 ARG A 23 16.110 -12.442 -24.868 1.00 71.32 N ATOM 0 H ARG A 23 19.552 -7.150 -23.562 1.00 44.32 H new ATOM 0 HA ARG A 23 20.213 -9.109 -25.534 1.00 73.13 H new ATOM 0 HB2 ARG A 23 17.549 -9.017 -25.231 1.00 43.13 H new ATOM 0 HB3 ARG A 23 17.718 -7.580 -26.221 1.00 43.13 H new ATOM 0 HG2 ARG A 23 17.270 -9.425 -27.691 1.00 62.54 H new ATOM 0 HG3 ARG A 23 18.940 -8.953 -27.934 1.00 62.54 H new ATOM 0 HD2 ARG A 23 18.585 -11.442 -27.772 1.00 32.41 H new ATOM 0 HD3 ARG A 23 19.759 -10.808 -26.636 1.00 32.41 H new ATOM 0 HE ARG A 23 18.349 -11.357 -24.849 1.00 14.22 H new ATOM 0 HH11 ARG A 23 16.653 -11.621 -27.934 1.00 12.23 H new ATOM 0 HH12 ARG A 23 15.251 -12.431 -27.226 1.00 12.23 H new ATOM 0 HH21 ARG A 23 16.545 -12.398 -23.947 1.00 71.32 H new ATOM 0 HH22 ARG A 23 15.190 -12.869 -24.978 1.00 71.32 H new ATOM 397 N PRO A 24 21.456 -6.765 -25.644 1.00 51.11 N ATOM 398 CA PRO A 24 22.192 -5.609 -26.164 1.00 64.25 C ATOM 399 C PRO A 24 22.493 -5.736 -27.654 1.00 60.20 C ATOM 400 O PRO A 24 23.614 -6.061 -28.044 1.00 20.50 O ATOM 401 CB PRO A 24 23.491 -5.622 -25.354 1.00 12.31 C ATOM 402 CG PRO A 24 23.666 -7.042 -24.941 1.00 71.40 C ATOM 403 CD PRO A 24 22.279 -7.591 -24.745 1.00 5.51 C ATOM 0 HA PRO A 24 21.622 -4.685 -26.067 1.00 64.25 H new ATOM 0 HB2 PRO A 24 24.334 -5.277 -25.953 1.00 12.31 H new ATOM 0 HB3 PRO A 24 23.424 -4.963 -24.488 1.00 12.31 H new ATOM 0 HG2 PRO A 24 24.205 -7.606 -25.702 1.00 71.40 H new ATOM 0 HG3 PRO A 24 24.247 -7.112 -24.021 1.00 71.40 H new ATOM 0 HD2 PRO A 24 22.224 -8.648 -25.007 1.00 5.51 H new ATOM 0 HD3 PRO A 24 21.954 -7.503 -23.708 1.00 5.51 H new ATOM 411 N GLN A 25 21.485 -5.477 -28.481 1.00 21.03 N ATOM 412 CA GLN A 25 21.643 -5.563 -29.928 1.00 21.03 C ATOM 413 C GLN A 25 22.562 -4.459 -30.442 1.00 34.25 C ATOM 414 O GLN A 25 23.511 -4.723 -31.179 1.00 54.42 O ATOM 415 CB GLN A 25 20.281 -5.471 -30.617 1.00 34.20 C ATOM 416 CG GLN A 25 19.417 -6.707 -30.424 1.00 72.24 C ATOM 417 CD GLN A 25 20.098 -7.975 -30.901 1.00 33.11 C ATOM 418 OE1 GLN A 25 20.130 -8.980 -30.191 1.00 25.44 O ATOM 419 NE2 GLN A 25 20.646 -7.934 -32.110 1.00 22.55 N ATOM 0 H GLN A 25 20.551 -5.206 -28.174 1.00 21.03 H new ATOM 0 HA GLN A 25 22.096 -6.526 -30.162 1.00 21.03 H new ATOM 0 HB2 GLN A 25 19.747 -4.601 -30.234 1.00 34.20 H new ATOM 0 HB3 GLN A 25 20.433 -5.307 -31.684 1.00 34.20 H new ATOM 0 HG2 GLN A 25 19.166 -6.809 -29.368 1.00 72.24 H new ATOM 0 HG3 GLN A 25 18.479 -6.578 -30.964 1.00 72.24 H new ATOM 0 HE21 GLN A 25 20.596 -7.079 -32.664 1.00 22.55 H new ATOM 0 HE22 GLN A 25 21.117 -8.757 -32.484 1.00 22.55 H new ATOM 428 N GLU A 26 22.272 -3.223 -30.047 1.00 31.33 N ATOM 429 CA GLU A 26 23.072 -2.080 -30.469 1.00 40.12 C ATOM 430 C GLU A 26 24.377 -2.008 -29.681 1.00 51.02 C ATOM 431 O GLU A 26 25.455 -1.864 -30.257 1.00 35.32 O ATOM 432 CB GLU A 26 22.282 -0.782 -30.289 1.00 2.15 C ATOM 433 CG GLU A 26 21.819 -0.164 -31.597 1.00 72.22 C ATOM 434 CD GLU A 26 20.366 -0.470 -31.904 1.00 73.13 C ATOM 435 OE1 GLU A 26 19.942 -1.623 -31.681 1.00 75.03 O ATOM 436 OE2 GLU A 26 19.653 0.445 -32.368 1.00 32.31 O ATOM 0 H GLU A 26 21.490 -2.988 -29.436 1.00 31.33 H new ATOM 0 HA GLU A 26 23.312 -2.207 -31.525 1.00 40.12 H new ATOM 0 HB2 GLU A 26 21.412 -0.980 -29.663 1.00 2.15 H new ATOM 0 HB3 GLU A 26 22.901 -0.061 -29.756 1.00 2.15 H new ATOM 0 HG2 GLU A 26 21.958 0.916 -31.553 1.00 72.22 H new ATOM 0 HG3 GLU A 26 22.444 -0.533 -32.410 1.00 72.22 H new ATOM 443 N ASN A 27 24.270 -2.108 -28.360 1.00 72.52 N ATOM 444 CA ASN A 27 25.441 -2.054 -27.492 1.00 55.22 C ATOM 445 C ASN A 27 26.296 -0.831 -27.809 1.00 11.31 C ATOM 446 O ASN A 27 27.463 -0.955 -28.176 1.00 44.13 O ATOM 447 CB ASN A 27 26.275 -3.327 -27.645 1.00 71.15 C ATOM 448 CG ASN A 27 27.273 -3.503 -26.518 1.00 24.32 C ATOM 449 OD1 ASN A 27 28.483 -3.402 -26.723 1.00 50.14 O ATOM 450 ND2 ASN A 27 26.770 -3.769 -25.318 1.00 51.21 N ATOM 0 H ASN A 27 23.385 -2.227 -27.867 1.00 72.52 H new ATOM 0 HA ASN A 27 25.095 -1.977 -26.461 1.00 55.22 H new ATOM 0 HB2 ASN A 27 25.611 -4.191 -27.677 1.00 71.15 H new ATOM 0 HB3 ASN A 27 26.807 -3.298 -28.596 1.00 71.15 H new ATOM 0 HD21 ASN A 27 27.393 -3.898 -24.521 1.00 51.21 H new ATOM 0 HD22 ASN A 27 25.760 -3.844 -25.193 1.00 51.21 H new ATOM 457 N GLY A 28 25.705 0.352 -27.663 1.00 24.30 N ATOM 458 CA GLY A 28 26.428 1.580 -27.937 1.00 15.32 C ATOM 459 C GLY A 28 25.737 2.800 -27.359 1.00 72.25 C ATOM 460 O GLY A 28 26.393 3.726 -26.882 1.00 0.43 O ATOM 0 H GLY A 28 24.740 0.481 -27.360 1.00 24.30 H new ATOM 0 HA2 GLY A 28 27.434 1.506 -27.524 1.00 15.32 H new ATOM 0 HA3 GLY A 28 26.534 1.703 -29.015 1.00 15.32 H new ATOM 464 N LEU A 29 24.409 2.802 -27.404 1.00 42.20 N ATOM 465 CA LEU A 29 23.628 3.919 -26.882 1.00 61.55 C ATOM 466 C LEU A 29 22.141 3.579 -26.860 1.00 42.32 C ATOM 467 O LEU A 29 21.417 3.976 -25.947 1.00 31.52 O ATOM 468 CB LEU A 29 23.865 5.171 -27.728 1.00 54.10 C ATOM 469 CG LEU A 29 23.093 6.422 -27.306 1.00 35.43 C ATOM 470 CD1 LEU A 29 23.961 7.661 -27.456 1.00 13.10 C ATOM 471 CD2 LEU A 29 21.815 6.561 -28.121 1.00 63.32 C ATOM 0 H LEU A 29 23.851 2.044 -27.796 1.00 42.20 H new ATOM 0 HA LEU A 29 23.953 4.112 -25.860 1.00 61.55 H new ATOM 0 HB2 LEU A 29 24.930 5.402 -27.709 1.00 54.10 H new ATOM 0 HB3 LEU A 29 23.607 4.941 -28.762 1.00 54.10 H new ATOM 0 HG LEU A 29 22.820 6.320 -26.256 1.00 35.43 H new ATOM 0 HD11 LEU A 29 23.395 8.541 -27.151 1.00 13.10 H new ATOM 0 HD12 LEU A 29 24.846 7.563 -26.828 1.00 13.10 H new ATOM 0 HD13 LEU A 29 24.265 7.768 -28.497 1.00 13.10 H new ATOM 0 HD21 LEU A 29 21.279 7.457 -27.807 1.00 63.32 H new ATOM 0 HD22 LEU A 29 22.065 6.640 -29.179 1.00 63.32 H new ATOM 0 HD23 LEU A 29 21.185 5.686 -27.961 1.00 63.32 H new ATOM 483 N PHE A 30 21.693 2.842 -27.871 1.00 34.14 N ATOM 484 CA PHE A 30 20.292 2.448 -27.967 1.00 31.24 C ATOM 485 C PHE A 30 19.904 1.533 -26.809 1.00 13.04 C ATOM 486 O PHE A 30 18.721 1.306 -26.552 1.00 43.02 O ATOM 487 CB PHE A 30 20.029 1.743 -29.299 1.00 34.43 C ATOM 488 CG PHE A 30 19.408 2.634 -30.336 1.00 64.15 C ATOM 489 CD1 PHE A 30 20.136 3.667 -30.906 1.00 31.50 C ATOM 490 CD2 PHE A 30 18.098 2.439 -30.743 1.00 23.11 C ATOM 491 CE1 PHE A 30 19.567 4.489 -31.860 1.00 63.45 C ATOM 492 CE2 PHE A 30 17.524 3.257 -31.697 1.00 44.54 C ATOM 493 CZ PHE A 30 18.260 4.283 -32.258 1.00 4.14 C ATOM 0 H PHE A 30 22.279 2.506 -28.635 1.00 34.14 H new ATOM 0 HA PHE A 30 19.682 3.350 -27.914 1.00 31.24 H new ATOM 0 HB2 PHE A 30 20.970 1.350 -29.685 1.00 34.43 H new ATOM 0 HB3 PHE A 30 19.374 0.889 -29.126 1.00 34.43 H new ATOM 0 HD1 PHE A 30 21.159 3.831 -30.601 1.00 31.50 H new ATOM 0 HD2 PHE A 30 17.518 1.638 -30.309 1.00 23.11 H new ATOM 0 HE1 PHE A 30 20.144 5.292 -32.294 1.00 63.45 H new ATOM 0 HE2 PHE A 30 16.501 3.095 -32.004 1.00 44.54 H new ATOM 0 HZ PHE A 30 17.815 4.922 -33.006 1.00 4.14 H new ATOM 503 N SER A 31 20.908 1.010 -26.113 1.00 3.22 N ATOM 504 CA SER A 31 20.673 0.117 -24.985 1.00 24.42 C ATOM 505 C SER A 31 21.811 0.209 -23.972 1.00 40.04 C ATOM 506 O SER A 31 22.113 -0.758 -23.273 1.00 42.34 O ATOM 507 CB SER A 31 20.525 -1.326 -25.472 1.00 62.11 C ATOM 508 OG SER A 31 19.326 -1.906 -24.990 1.00 74.42 O ATOM 0 H SER A 31 21.892 1.189 -26.311 1.00 3.22 H new ATOM 0 HA SER A 31 19.749 0.425 -24.496 1.00 24.42 H new ATOM 0 HB2 SER A 31 20.531 -1.348 -26.562 1.00 62.11 H new ATOM 0 HB3 SER A 31 21.378 -1.916 -25.137 1.00 62.11 H new ATOM 0 HG SER A 31 19.254 -2.827 -25.316 1.00 74.42 H new ATOM 514 N GLN A 32 22.437 1.379 -23.901 1.00 2.13 N ATOM 515 CA GLN A 32 23.542 1.598 -22.975 1.00 1.23 C ATOM 516 C GLN A 32 23.733 3.086 -22.697 1.00 60.33 C ATOM 517 O GLN A 32 23.004 3.925 -23.227 1.00 64.45 O ATOM 518 CB GLN A 32 24.833 1.003 -23.538 1.00 63.52 C ATOM 519 CG GLN A 32 25.480 -0.024 -22.622 1.00 60.25 C ATOM 520 CD GLN A 32 24.766 -1.361 -22.648 1.00 72.13 C ATOM 521 OE1 GLN A 32 24.546 -1.892 -23.845 1.00 11.22 O flip ATOM 522 NE2 GLN A 32 24.415 -1.911 -21.604 1.00 63.34 N flip ATOM 0 H GLN A 32 22.198 2.189 -24.473 1.00 2.13 H new ATOM 0 HA GLN A 32 23.300 1.100 -22.036 1.00 1.23 H new ATOM 0 HB2 GLN A 32 24.619 0.536 -24.500 1.00 63.52 H new ATOM 0 HB3 GLN A 32 25.543 1.809 -23.726 1.00 63.52 H new ATOM 0 HG2 GLN A 32 26.519 -0.166 -22.918 1.00 60.25 H new ATOM 0 HG3 GLN A 32 25.489 0.359 -21.602 1.00 60.25 H new ATOM 0 HE21 GLN A 32 24.604 -1.467 -20.705 1.00 63.34 H new ATOM 0 HE22 GLN A 32 23.935 -2.810 -21.638 1.00 63.34 H new ATOM 531 N ASP A 33 24.716 3.405 -21.863 1.00 45.34 N ATOM 532 CA ASP A 33 25.004 4.792 -21.516 1.00 11.12 C ATOM 533 C ASP A 33 26.292 5.264 -22.183 1.00 24.44 C ATOM 534 O ASP A 33 27.374 4.748 -21.901 1.00 3.33 O ATOM 535 CB ASP A 33 25.114 4.948 -19.998 1.00 72.33 C ATOM 536 CG ASP A 33 23.760 4.944 -19.316 1.00 72.23 C ATOM 537 OD1 ASP A 33 23.141 3.863 -19.233 1.00 60.50 O ATOM 538 OD2 ASP A 33 23.318 6.022 -18.867 1.00 4.34 O ATOM 0 H ASP A 33 25.327 2.722 -21.415 1.00 45.34 H new ATOM 0 HA ASP A 33 24.182 5.409 -21.879 1.00 11.12 H new ATOM 0 HB2 ASP A 33 25.723 4.138 -19.596 1.00 72.33 H new ATOM 0 HB3 ASP A 33 25.631 5.880 -19.768 1.00 72.33 H new ATOM 543 N VAL A 34 26.169 6.246 -23.069 1.00 54.15 N ATOM 544 CA VAL A 34 27.323 6.787 -23.777 1.00 10.42 C ATOM 545 C VAL A 34 28.389 7.271 -22.800 1.00 13.30 C ATOM 546 O VAL A 34 29.574 7.318 -23.130 1.00 65.34 O ATOM 547 CB VAL A 34 26.920 7.953 -24.699 1.00 1.40 C ATOM 548 CG1 VAL A 34 26.181 9.025 -23.913 1.00 14.22 C ATOM 549 CG2 VAL A 34 28.145 8.535 -25.388 1.00 3.45 C ATOM 0 H VAL A 34 25.281 6.684 -23.314 1.00 54.15 H new ATOM 0 HA VAL A 34 27.730 5.978 -24.384 1.00 10.42 H new ATOM 0 HB VAL A 34 26.247 7.570 -25.466 1.00 1.40 H new ATOM 0 HG11 VAL A 34 25.904 9.841 -24.581 1.00 14.22 H new ATOM 0 HG12 VAL A 34 25.281 8.597 -23.471 1.00 14.22 H new ATOM 0 HG13 VAL A 34 26.827 9.407 -23.122 1.00 14.22 H new ATOM 0 HG21 VAL A 34 27.842 9.358 -26.036 1.00 3.45 H new ATOM 0 HG22 VAL A 34 28.844 8.903 -24.637 1.00 3.45 H new ATOM 0 HG23 VAL A 34 28.628 7.762 -25.986 1.00 3.45 H new ATOM 559 N LEU A 35 27.960 7.631 -21.595 1.00 74.33 N ATOM 560 CA LEU A 35 28.877 8.111 -20.568 1.00 42.30 C ATOM 561 C LEU A 35 29.824 7.002 -20.122 1.00 45.00 C ATOM 562 O LEU A 35 30.840 7.261 -19.475 1.00 31.03 O ATOM 563 CB LEU A 35 28.095 8.643 -19.366 1.00 50.51 C ATOM 564 CG LEU A 35 28.636 9.922 -18.726 1.00 2.31 C ATOM 565 CD1 LEU A 35 30.009 9.676 -18.120 1.00 43.11 C ATOM 566 CD2 LEU A 35 28.697 11.047 -19.749 1.00 73.23 C ATOM 0 H LEU A 35 26.982 7.599 -21.306 1.00 74.33 H new ATOM 0 HA LEU A 35 29.470 8.920 -20.995 1.00 42.30 H new ATOM 0 HB2 LEU A 35 27.066 8.824 -19.678 1.00 50.51 H new ATOM 0 HB3 LEU A 35 28.065 7.864 -18.604 1.00 50.51 H new ATOM 0 HG LEU A 35 27.957 10.221 -17.928 1.00 2.31 H new ATOM 0 HD11 LEU A 35 30.378 10.597 -17.669 1.00 43.11 H new ATOM 0 HD12 LEU A 35 29.936 8.902 -17.356 1.00 43.11 H new ATOM 0 HD13 LEU A 35 30.698 9.352 -18.900 1.00 43.11 H new ATOM 0 HD21 LEU A 35 29.084 11.949 -19.275 1.00 73.23 H new ATOM 0 HD22 LEU A 35 29.354 10.757 -20.569 1.00 73.23 H new ATOM 0 HD23 LEU A 35 27.697 11.241 -20.136 1.00 73.23 H new ATOM 578 N LEU A 36 29.487 5.766 -20.474 1.00 2.31 N ATOM 579 CA LEU A 36 30.309 4.616 -20.112 1.00 11.50 C ATOM 580 C LEU A 36 31.124 4.132 -21.307 1.00 3.33 C ATOM 581 O LEU A 36 31.471 2.955 -21.397 1.00 31.14 O ATOM 582 CB LEU A 36 29.429 3.481 -19.587 1.00 32.13 C ATOM 583 CG LEU A 36 28.932 3.627 -18.148 1.00 23.01 C ATOM 584 CD1 LEU A 36 30.105 3.784 -17.192 1.00 33.40 C ATOM 585 CD2 LEU A 36 27.983 4.810 -18.029 1.00 0.31 C ATOM 0 H LEU A 36 28.650 5.534 -21.010 1.00 2.31 H new ATOM 0 HA LEU A 36 30.999 4.926 -19.327 1.00 11.50 H new ATOM 0 HB2 LEU A 36 28.563 3.388 -20.242 1.00 32.13 H new ATOM 0 HB3 LEU A 36 29.989 2.549 -19.664 1.00 32.13 H new ATOM 0 HG LEU A 36 28.388 2.722 -17.878 1.00 23.01 H new ATOM 0 HD11 LEU A 36 29.732 3.887 -16.173 1.00 33.40 H new ATOM 0 HD12 LEU A 36 30.747 2.906 -17.257 1.00 33.40 H new ATOM 0 HD13 LEU A 36 30.677 4.672 -17.460 1.00 33.40 H new ATOM 0 HD21 LEU A 36 27.639 4.899 -16.998 1.00 0.31 H new ATOM 0 HD22 LEU A 36 28.502 5.724 -18.318 1.00 0.31 H new ATOM 0 HD23 LEU A 36 27.126 4.657 -18.685 1.00 0.31 H new ATOM 597 N GLN A 37 31.428 5.049 -22.220 1.00 2.13 N ATOM 598 CA GLN A 37 32.204 4.715 -23.408 1.00 25.00 C ATOM 599 C GLN A 37 33.646 5.191 -23.268 1.00 4.51 C ATOM 600 O GLN A 37 34.561 4.388 -23.087 1.00 25.13 O ATOM 601 CB GLN A 37 31.567 5.338 -24.651 1.00 43.41 C ATOM 602 CG GLN A 37 30.093 5.003 -24.812 1.00 64.04 C ATOM 603 CD GLN A 37 29.866 3.576 -25.272 1.00 4.15 C ATOM 604 OE1 GLN A 37 30.787 2.911 -25.747 1.00 21.10 O ATOM 605 NE2 GLN A 37 28.636 3.098 -25.131 1.00 72.53 N ATOM 0 H GLN A 37 31.149 6.028 -22.160 1.00 2.13 H new ATOM 0 HA GLN A 37 32.208 3.630 -23.515 1.00 25.00 H new ATOM 0 HB2 GLN A 37 31.682 6.421 -24.604 1.00 43.41 H new ATOM 0 HB3 GLN A 37 32.107 4.998 -25.535 1.00 43.41 H new ATOM 0 HG2 GLN A 37 29.583 5.160 -23.862 1.00 64.04 H new ATOM 0 HG3 GLN A 37 29.645 5.688 -25.531 1.00 64.04 H new ATOM 0 HE21 GLN A 37 27.903 3.685 -24.732 1.00 72.53 H new ATOM 0 HE22 GLN A 37 28.423 2.144 -25.421 1.00 72.53 H new ATOM 614 N TYR A 38 33.842 6.503 -23.353 1.00 72.45 N ATOM 615 CA TYR A 38 35.173 7.086 -23.239 1.00 62.01 C ATOM 616 C TYR A 38 35.090 8.576 -22.923 1.00 53.20 C ATOM 617 O TYR A 38 34.094 9.242 -23.206 1.00 14.30 O ATOM 618 CB TYR A 38 35.960 6.871 -24.533 1.00 51.12 C ATOM 619 CG TYR A 38 36.711 5.560 -24.574 1.00 64.32 C ATOM 620 CD1 TYR A 38 37.542 5.179 -23.527 1.00 75.34 C ATOM 621 CD2 TYR A 38 36.590 4.701 -25.660 1.00 22.00 C ATOM 622 CE1 TYR A 38 38.230 3.982 -23.561 1.00 65.13 C ATOM 623 CE2 TYR A 38 37.274 3.501 -25.702 1.00 3.43 C ATOM 624 CZ TYR A 38 38.093 3.147 -24.650 1.00 64.43 C ATOM 625 OH TYR A 38 38.777 1.953 -24.687 1.00 71.22 O ATOM 0 H TYR A 38 33.095 7.182 -23.500 1.00 72.45 H new ATOM 0 HA TYR A 38 35.691 6.587 -22.420 1.00 62.01 H new ATOM 0 HB2 TYR A 38 35.272 6.913 -25.378 1.00 51.12 H new ATOM 0 HB3 TYR A 38 36.668 7.690 -24.658 1.00 51.12 H new ATOM 0 HD1 TYR A 38 37.652 5.830 -22.672 1.00 75.34 H new ATOM 0 HD2 TYR A 38 35.950 4.976 -26.485 1.00 22.00 H new ATOM 0 HE1 TYR A 38 38.872 3.701 -22.739 1.00 65.13 H new ATOM 0 HE2 TYR A 38 37.168 2.845 -26.553 1.00 3.43 H new ATOM 0 HH TYR A 38 38.570 1.483 -25.522 1.00 71.22 H new ATOM 635 N PRO A 39 36.162 9.113 -22.322 1.00 53.41 N ATOM 636 CA PRO A 39 36.236 10.531 -21.955 1.00 22.41 C ATOM 637 C PRO A 39 36.341 11.441 -23.174 1.00 24.50 C ATOM 638 O PRO A 39 37.403 11.995 -23.456 1.00 23.43 O ATOM 639 CB PRO A 39 37.513 10.613 -21.115 1.00 31.35 C ATOM 640 CG PRO A 39 38.348 9.471 -21.581 1.00 71.35 C ATOM 641 CD PRO A 39 37.384 8.379 -21.955 1.00 61.33 C ATOM 0 HA PRO A 39 35.341 10.863 -21.429 1.00 22.41 H new ATOM 0 HB2 PRO A 39 38.024 11.564 -21.264 1.00 31.35 H new ATOM 0 HB3 PRO A 39 37.292 10.533 -20.051 1.00 31.35 H new ATOM 0 HG2 PRO A 39 38.962 9.759 -22.435 1.00 71.35 H new ATOM 0 HG3 PRO A 39 39.028 9.139 -20.797 1.00 71.35 H new ATOM 0 HD2 PRO A 39 37.758 7.780 -22.786 1.00 61.33 H new ATOM 0 HD3 PRO A 39 37.208 7.696 -21.124 1.00 61.33 H new ATOM 649 N GLU A 40 35.233 11.590 -23.893 1.00 21.12 N ATOM 650 CA GLU A 40 35.203 12.433 -25.082 1.00 53.11 C ATOM 651 C GLU A 40 33.769 12.650 -25.559 1.00 24.13 C ATOM 652 O GLU A 40 33.409 13.741 -26.002 1.00 53.11 O ATOM 653 CB GLU A 40 36.034 11.804 -26.202 1.00 5.12 C ATOM 654 CG GLU A 40 35.634 10.375 -26.529 1.00 11.25 C ATOM 655 CD GLU A 40 36.819 9.510 -26.912 1.00 52.31 C ATOM 656 OE1 GLU A 40 37.909 10.069 -27.153 1.00 1.45 O ATOM 657 OE2 GLU A 40 36.655 8.274 -26.971 1.00 62.54 O ATOM 0 H GLU A 40 34.345 11.138 -23.673 1.00 21.12 H new ATOM 0 HA GLU A 40 35.632 13.400 -24.821 1.00 53.11 H new ATOM 0 HB2 GLU A 40 35.938 12.414 -27.100 1.00 5.12 H new ATOM 0 HB3 GLU A 40 37.086 11.821 -25.916 1.00 5.12 H new ATOM 0 HG2 GLU A 40 35.132 9.936 -25.667 1.00 11.25 H new ATOM 0 HG3 GLU A 40 34.914 10.382 -27.348 1.00 11.25 H new ATOM 664 N LEU A 41 32.956 11.604 -25.465 1.00 24.52 N ATOM 665 CA LEU A 41 31.562 11.678 -25.887 1.00 32.25 C ATOM 666 C LEU A 41 30.645 11.928 -24.694 1.00 32.14 C ATOM 667 O LEU A 41 29.423 11.838 -24.808 1.00 32.11 O ATOM 668 CB LEU A 41 31.154 10.386 -26.596 1.00 74.32 C ATOM 669 CG LEU A 41 31.527 9.084 -25.887 1.00 34.44 C ATOM 670 CD1 LEU A 41 32.955 8.683 -26.223 1.00 33.25 C ATOM 671 CD2 LEU A 41 31.351 9.227 -24.382 1.00 31.11 C ATOM 0 H LEU A 41 33.238 10.694 -25.100 1.00 24.52 H new ATOM 0 HA LEU A 41 31.462 12.513 -26.581 1.00 32.25 H new ATOM 0 HB2 LEU A 41 30.074 10.401 -26.741 1.00 74.32 H new ATOM 0 HB3 LEU A 41 31.609 10.380 -27.587 1.00 74.32 H new ATOM 0 HG LEU A 41 30.859 8.297 -26.238 1.00 34.44 H new ATOM 0 HD11 LEU A 41 33.203 7.754 -25.709 1.00 33.25 H new ATOM 0 HD12 LEU A 41 33.049 8.539 -27.299 1.00 33.25 H new ATOM 0 HD13 LEU A 41 33.639 9.469 -25.902 1.00 33.25 H new ATOM 0 HD21 LEU A 41 31.621 8.291 -23.894 1.00 31.11 H new ATOM 0 HD22 LEU A 41 31.994 10.027 -24.015 1.00 31.11 H new ATOM 0 HD23 LEU A 41 30.311 9.466 -24.158 1.00 31.11 H new ATOM 683 N ALA A 42 31.243 12.244 -23.550 1.00 2.21 N ATOM 684 CA ALA A 42 30.480 12.512 -22.337 1.00 63.30 C ATOM 685 C ALA A 42 29.768 13.857 -22.422 1.00 3.50 C ATOM 686 O ALA A 42 28.764 14.082 -21.747 1.00 62.20 O ATOM 687 CB ALA A 42 31.392 12.471 -21.120 1.00 25.11 C ATOM 0 H ALA A 42 32.254 12.321 -23.438 1.00 2.21 H new ATOM 0 HA ALA A 42 29.722 11.735 -22.235 1.00 63.30 H new ATOM 0 HB1 ALA A 42 30.809 12.673 -20.221 1.00 25.11 H new ATOM 0 HB2 ALA A 42 31.850 11.485 -21.042 1.00 25.11 H new ATOM 0 HB3 ALA A 42 32.171 13.226 -21.224 1.00 25.11 H new ATOM 693 N GLU A 43 30.296 14.749 -23.255 1.00 14.31 N ATOM 694 CA GLU A 43 29.710 16.074 -23.426 1.00 31.23 C ATOM 695 C GLU A 43 28.371 15.987 -24.152 1.00 35.22 C ATOM 696 O GLU A 43 27.419 16.689 -23.808 1.00 64.51 O ATOM 697 CB GLU A 43 30.665 16.982 -24.202 1.00 45.13 C ATOM 698 CG GLU A 43 31.973 17.251 -23.477 1.00 45.14 C ATOM 699 CD GLU A 43 32.654 18.520 -23.954 1.00 22.44 C ATOM 700 OE1 GLU A 43 31.949 19.529 -24.164 1.00 25.31 O ATOM 701 OE2 GLU A 43 33.892 18.503 -24.116 1.00 25.34 O ATOM 0 H GLU A 43 31.127 14.579 -23.821 1.00 14.31 H new ATOM 0 HA GLU A 43 29.540 16.498 -22.436 1.00 31.23 H new ATOM 0 HB2 GLU A 43 30.882 16.526 -25.168 1.00 45.13 H new ATOM 0 HB3 GLU A 43 30.168 17.931 -24.402 1.00 45.13 H new ATOM 0 HG2 GLU A 43 31.782 17.326 -22.406 1.00 45.14 H new ATOM 0 HG3 GLU A 43 32.645 16.405 -23.622 1.00 45.14 H new ATOM 708 N SER A 44 28.305 15.121 -25.158 1.00 72.01 N ATOM 709 CA SER A 44 27.084 14.945 -25.936 1.00 62.33 C ATOM 710 C SER A 44 25.993 14.292 -25.094 1.00 75.40 C ATOM 711 O SER A 44 24.803 14.513 -25.320 1.00 14.01 O ATOM 712 CB SER A 44 27.364 14.095 -27.177 1.00 73.23 C ATOM 713 OG SER A 44 26.904 12.766 -27.000 1.00 0.24 O ATOM 0 H SER A 44 29.082 14.530 -25.454 1.00 72.01 H new ATOM 0 HA SER A 44 26.736 15.929 -26.249 1.00 62.33 H new ATOM 0 HB2 SER A 44 26.875 14.540 -28.044 1.00 73.23 H new ATOM 0 HB3 SER A 44 28.434 14.088 -27.383 1.00 73.23 H new ATOM 0 HG SER A 44 27.093 12.244 -27.808 1.00 0.24 H new ATOM 719 N TYR A 45 26.406 13.486 -24.122 1.00 65.05 N ATOM 720 CA TYR A 45 25.465 12.798 -23.247 1.00 61.11 C ATOM 721 C TYR A 45 24.460 13.778 -22.650 1.00 1.11 C ATOM 722 O TYR A 45 23.315 13.421 -22.372 1.00 72.40 O ATOM 723 CB TYR A 45 26.214 12.073 -22.128 1.00 32.43 C ATOM 724 CG TYR A 45 25.304 11.489 -21.070 1.00 44.00 C ATOM 725 CD1 TYR A 45 24.408 10.473 -21.379 1.00 44.45 C ATOM 726 CD2 TYR A 45 25.342 11.953 -19.761 1.00 21.12 C ATOM 727 CE1 TYR A 45 23.575 9.938 -20.416 1.00 62.04 C ATOM 728 CE2 TYR A 45 24.514 11.422 -18.791 1.00 13.42 C ATOM 729 CZ TYR A 45 23.632 10.416 -19.124 1.00 33.53 C ATOM 730 OH TYR A 45 22.804 9.884 -18.161 1.00 64.22 O ATOM 0 H TYR A 45 27.387 13.293 -23.920 1.00 65.05 H new ATOM 0 HA TYR A 45 24.921 12.066 -23.844 1.00 61.11 H new ATOM 0 HB2 TYR A 45 26.813 11.273 -22.562 1.00 32.43 H new ATOM 0 HB3 TYR A 45 26.907 12.769 -21.655 1.00 32.43 H new ATOM 0 HD1 TYR A 45 24.362 10.095 -22.390 1.00 44.45 H new ATOM 0 HD2 TYR A 45 26.031 12.742 -19.497 1.00 21.12 H new ATOM 0 HE1 TYR A 45 22.883 9.150 -20.673 1.00 62.04 H new ATOM 0 HE2 TYR A 45 24.557 11.793 -17.778 1.00 13.42 H new ATOM 0 HH TYR A 45 21.872 10.093 -18.379 1.00 64.22 H new ATOM 740 N THR A 46 24.897 15.019 -22.455 1.00 61.42 N ATOM 741 CA THR A 46 24.038 16.052 -21.891 1.00 20.21 C ATOM 742 C THR A 46 22.718 16.144 -22.648 1.00 64.15 C ATOM 743 O THR A 46 21.685 16.493 -22.077 1.00 43.30 O ATOM 744 CB THR A 46 24.727 17.429 -21.913 1.00 50.35 C ATOM 745 OG1 THR A 46 25.114 17.762 -23.251 1.00 70.35 O ATOM 746 CG2 THR A 46 25.951 17.437 -21.010 1.00 15.35 C ATOM 0 H THR A 46 25.841 15.332 -22.680 1.00 61.42 H new ATOM 0 HA THR A 46 23.841 15.769 -20.857 1.00 20.21 H new ATOM 0 HB THR A 46 24.018 18.170 -21.544 1.00 50.35 H new ATOM 0 HG1 THR A 46 25.766 17.106 -23.576 1.00 70.35 H new ATOM 0 HG21 THR A 46 26.421 18.420 -21.042 1.00 15.35 H new ATOM 0 HG22 THR A 46 25.650 17.212 -19.987 1.00 15.35 H new ATOM 0 HG23 THR A 46 26.661 16.684 -21.353 1.00 15.35 H new ATOM 754 N LYS A 47 22.759 15.828 -23.938 1.00 72.43 N ATOM 755 CA LYS A 47 21.566 15.872 -24.775 1.00 53.33 C ATOM 756 C LYS A 47 20.635 14.706 -24.458 1.00 53.34 C ATOM 757 O LYS A 47 19.412 14.847 -24.496 1.00 22.01 O ATOM 758 CB LYS A 47 21.954 15.841 -26.255 1.00 63.21 C ATOM 759 CG LYS A 47 21.782 17.176 -26.958 1.00 11.32 C ATOM 760 CD LYS A 47 20.321 17.589 -27.020 1.00 50.30 C ATOM 761 CE LYS A 47 20.167 19.102 -26.976 1.00 31.23 C ATOM 762 NZ LYS A 47 20.509 19.733 -28.281 1.00 32.35 N ATOM 0 H LYS A 47 23.606 15.538 -24.427 1.00 72.43 H new ATOM 0 HA LYS A 47 21.039 16.802 -24.563 1.00 53.33 H new ATOM 0 HB2 LYS A 47 22.994 15.525 -26.343 1.00 63.21 H new ATOM 0 HB3 LYS A 47 21.349 15.091 -26.765 1.00 63.21 H new ATOM 0 HG2 LYS A 47 22.355 17.941 -26.434 1.00 11.32 H new ATOM 0 HG3 LYS A 47 22.186 17.111 -27.968 1.00 11.32 H new ATOM 0 HD2 LYS A 47 19.871 17.203 -27.935 1.00 50.30 H new ATOM 0 HD3 LYS A 47 19.780 17.143 -26.186 1.00 50.30 H new ATOM 0 HE2 LYS A 47 19.141 19.355 -26.708 1.00 31.23 H new ATOM 0 HE3 LYS A 47 20.810 19.510 -26.196 1.00 31.23 H new ATOM 0 HZ1 LYS A 47 20.391 20.764 -28.210 1.00 32.35 H new ATOM 0 HZ2 LYS A 47 21.496 19.513 -28.525 1.00 32.35 H new ATOM 0 HZ3 LYS A 47 19.879 19.363 -29.021 1.00 32.35 H new ATOM 776 N VAL A 48 21.221 13.555 -24.145 1.00 12.22 N ATOM 777 CA VAL A 48 20.444 12.365 -23.819 1.00 13.54 C ATOM 778 C VAL A 48 20.630 11.971 -22.358 1.00 32.12 C ATOM 779 O VAL A 48 20.655 10.786 -22.023 1.00 3.03 O ATOM 780 CB VAL A 48 20.836 11.176 -24.714 1.00 62.44 C ATOM 781 CG1 VAL A 48 22.231 10.680 -24.363 1.00 73.13 C ATOM 782 CG2 VAL A 48 19.815 10.055 -24.588 1.00 64.31 C ATOM 0 H VAL A 48 22.232 13.421 -24.110 1.00 12.22 H new ATOM 0 HA VAL A 48 19.397 12.612 -23.995 1.00 13.54 H new ATOM 0 HB VAL A 48 20.846 11.512 -25.751 1.00 62.44 H new ATOM 0 HG11 VAL A 48 22.491 9.839 -25.006 1.00 73.13 H new ATOM 0 HG12 VAL A 48 22.951 11.485 -24.510 1.00 73.13 H new ATOM 0 HG13 VAL A 48 22.252 10.360 -23.321 1.00 73.13 H new ATOM 0 HG21 VAL A 48 20.108 9.222 -25.228 1.00 64.31 H new ATOM 0 HG22 VAL A 48 19.770 9.719 -23.552 1.00 64.31 H new ATOM 0 HG23 VAL A 48 18.834 10.420 -24.894 1.00 64.31 H new ATOM 792 N CYS A 49 20.759 12.971 -21.493 1.00 21.42 N ATOM 793 CA CYS A 49 20.943 12.728 -20.066 1.00 44.32 C ATOM 794 C CYS A 49 19.941 11.699 -19.556 1.00 34.24 C ATOM 795 O CYS A 49 20.306 10.634 -19.057 1.00 0.11 O ATOM 796 CB CYS A 49 20.796 14.034 -19.283 1.00 23.51 C ATOM 797 SG CYS A 49 22.353 14.683 -18.631 1.00 31.40 S ATOM 0 H CYS A 49 20.740 13.957 -21.754 1.00 21.42 H new ATOM 0 HA CYS A 49 21.948 12.334 -19.916 1.00 44.32 H new ATOM 0 HB2 CYS A 49 20.345 14.785 -19.931 1.00 23.51 H new ATOM 0 HB3 CYS A 49 20.107 13.873 -18.454 1.00 23.51 H new ATOM 0 HG CYS A 49 23.232 13.727 -18.576 1.00 31.40 H new ATOM 803 N PRO A 50 18.645 12.022 -19.680 1.00 52.13 N ATOM 804 CA PRO A 50 17.562 11.139 -19.236 1.00 43.12 C ATOM 805 C PRO A 50 17.436 9.893 -20.107 1.00 2.54 C ATOM 806 O PRO A 50 16.804 9.923 -21.161 1.00 54.32 O ATOM 807 CB PRO A 50 16.313 12.014 -19.370 1.00 63.14 C ATOM 808 CG PRO A 50 16.663 13.016 -20.416 1.00 62.31 C ATOM 809 CD PRO A 50 18.137 13.274 -20.265 1.00 53.52 C ATOM 0 HA PRO A 50 17.730 10.764 -18.226 1.00 43.12 H new ATOM 0 HB2 PRO A 50 15.445 11.423 -19.663 1.00 63.14 H new ATOM 0 HB3 PRO A 50 16.065 12.498 -18.425 1.00 63.14 H new ATOM 0 HG2 PRO A 50 16.433 12.637 -21.412 1.00 62.31 H new ATOM 0 HG3 PRO A 50 16.091 13.934 -20.284 1.00 62.31 H new ATOM 0 HD2 PRO A 50 18.608 13.489 -21.224 1.00 53.52 H new ATOM 0 HD3 PRO A 50 18.331 14.128 -19.616 1.00 53.52 H new ATOM 817 N ASN A 51 18.042 8.799 -19.657 1.00 44.32 N ATOM 818 CA ASN A 51 17.998 7.543 -20.396 1.00 33.31 C ATOM 819 C ASN A 51 16.574 7.224 -20.842 1.00 12.13 C ATOM 820 O ASN A 51 15.649 7.202 -20.030 1.00 34.32 O ATOM 821 CB ASN A 51 18.542 6.401 -19.535 1.00 12.13 C ATOM 822 CG ASN A 51 20.051 6.277 -19.625 1.00 14.32 C ATOM 823 OD1 ASN A 51 20.561 6.144 -20.843 1.00 2.33 O flip ATOM 824 ND2 ASN A 51 20.748 6.301 -18.611 1.00 44.43 N flip ATOM 0 H ASN A 51 18.569 8.757 -18.785 1.00 44.32 H new ATOM 0 HA ASN A 51 18.623 7.650 -21.283 1.00 33.31 H new ATOM 0 HB2 ASN A 51 18.255 6.564 -18.496 1.00 12.13 H new ATOM 0 HB3 ASN A 51 18.084 5.463 -19.849 1.00 12.13 H new ATOM 0 HD21 ASN A 51 20.312 6.405 -17.695 1.00 44.43 H new ATOM 0 HD22 ASN A 51 21.762 6.217 -18.687 1.00 44.43 H new ATOM 831 N ARG A 52 16.406 6.978 -22.137 1.00 22.11 N ATOM 832 CA ARG A 52 15.095 6.661 -22.691 1.00 45.20 C ATOM 833 C ARG A 52 15.118 5.313 -23.405 1.00 24.43 C ATOM 834 O ARG A 52 14.354 5.082 -24.343 1.00 0.54 O ATOM 835 CB ARG A 52 14.650 7.756 -23.662 1.00 3.52 C ATOM 836 CG ARG A 52 13.175 7.689 -24.021 1.00 61.14 C ATOM 837 CD ARG A 52 12.701 8.978 -24.674 1.00 62.13 C ATOM 838 NE ARG A 52 13.658 9.477 -25.659 1.00 31.24 N ATOM 839 CZ ARG A 52 13.886 8.887 -26.827 1.00 33.34 C ATOM 840 NH1 ARG A 52 13.229 7.783 -27.155 1.00 32.33 N ATOM 841 NH2 ARG A 52 14.772 9.401 -27.670 1.00 11.24 N ATOM 0 H ARG A 52 17.161 6.992 -22.822 1.00 22.11 H new ATOM 0 HA ARG A 52 14.384 6.604 -21.867 1.00 45.20 H new ATOM 0 HB2 ARG A 52 14.864 8.730 -23.221 1.00 3.52 H new ATOM 0 HB3 ARG A 52 15.241 7.683 -24.575 1.00 3.52 H new ATOM 0 HG2 ARG A 52 13.002 6.852 -24.698 1.00 61.14 H new ATOM 0 HG3 ARG A 52 12.589 7.499 -23.122 1.00 61.14 H new ATOM 0 HD2 ARG A 52 11.739 8.807 -25.157 1.00 62.13 H new ATOM 0 HD3 ARG A 52 12.542 9.736 -23.907 1.00 62.13 H new ATOM 0 HE ARG A 52 14.180 10.325 -25.437 1.00 31.24 H new ATOM 0 HH11 ARG A 52 12.547 7.385 -26.510 1.00 32.33 H new ATOM 0 HH12 ARG A 52 13.406 7.332 -28.053 1.00 32.33 H new ATOM 0 HH21 ARG A 52 15.279 10.250 -27.422 1.00 11.24 H new ATOM 0 HH22 ARG A 52 14.946 8.947 -28.567 1.00 11.24 H new ATOM 855 N CYS A 53 15.999 4.426 -22.955 1.00 4.21 N ATOM 856 CA CYS A 53 16.123 3.101 -23.551 1.00 70.32 C ATOM 857 C CYS A 53 15.316 2.073 -22.764 1.00 43.11 C ATOM 858 O CYS A 53 14.231 1.669 -23.182 1.00 11.12 O ATOM 859 CB CYS A 53 17.592 2.679 -23.608 1.00 10.13 C ATOM 860 SG CYS A 53 18.625 3.739 -24.647 1.00 34.12 S ATOM 0 H CYS A 53 16.638 4.601 -22.179 1.00 4.21 H new ATOM 0 HA CYS A 53 15.727 3.148 -24.565 1.00 70.32 H new ATOM 0 HB2 CYS A 53 17.997 2.675 -22.596 1.00 10.13 H new ATOM 0 HB3 CYS A 53 17.651 1.656 -23.979 1.00 10.13 H new ATOM 0 HG CYS A 53 19.822 3.237 -24.725 1.00 34.12 H new ATOM 866 N ASP A 54 15.855 1.653 -21.625 1.00 14.24 N ATOM 867 CA ASP A 54 15.185 0.672 -20.779 1.00 23.32 C ATOM 868 C ASP A 54 16.058 0.297 -19.585 1.00 44.51 C ATOM 869 O ASP A 54 15.810 0.733 -18.460 1.00 3.00 O ATOM 870 CB ASP A 54 14.842 -0.580 -21.587 1.00 73.25 C ATOM 871 CG ASP A 54 13.364 -0.670 -21.915 1.00 22.40 C ATOM 872 OD1 ASP A 54 12.542 -0.550 -20.983 1.00 51.21 O ATOM 873 OD2 ASP A 54 13.030 -0.863 -23.103 1.00 41.51 O ATOM 0 H ASP A 54 16.753 1.976 -21.266 1.00 14.24 H new ATOM 0 HA ASP A 54 14.263 1.119 -20.407 1.00 23.32 H new ATOM 0 HB2 ASP A 54 15.417 -0.581 -22.513 1.00 73.25 H new ATOM 0 HB3 ASP A 54 15.141 -1.465 -21.025 1.00 73.25 H new ATOM 878 N LEU A 55 17.081 -0.513 -19.837 1.00 55.34 N ATOM 879 CA LEU A 55 17.991 -0.947 -18.783 1.00 52.03 C ATOM 880 C LEU A 55 18.832 0.220 -18.275 1.00 70.34 C ATOM 881 O LEU A 55 19.131 0.310 -17.085 1.00 51.31 O ATOM 882 CB LEU A 55 18.903 -2.062 -19.297 1.00 73.34 C ATOM 883 CG LEU A 55 19.663 -1.765 -20.590 1.00 62.22 C ATOM 884 CD1 LEU A 55 21.104 -2.239 -20.483 1.00 4.44 C ATOM 885 CD2 LEU A 55 18.972 -2.419 -21.778 1.00 22.42 C ATOM 0 H LEU A 55 17.301 -0.882 -20.762 1.00 55.34 H new ATOM 0 HA LEU A 55 17.393 -1.328 -17.955 1.00 52.03 H new ATOM 0 HB2 LEU A 55 19.629 -2.298 -18.519 1.00 73.34 H new ATOM 0 HB3 LEU A 55 18.299 -2.956 -19.451 1.00 73.34 H new ATOM 0 HG LEU A 55 19.667 -0.686 -20.746 1.00 62.22 H new ATOM 0 HD11 LEU A 55 21.629 -2.019 -21.412 1.00 4.44 H new ATOM 0 HD12 LEU A 55 21.596 -1.724 -19.658 1.00 4.44 H new ATOM 0 HD13 LEU A 55 21.121 -3.314 -20.302 1.00 4.44 H new ATOM 0 HD21 LEU A 55 19.527 -2.197 -22.689 1.00 22.42 H new ATOM 0 HD22 LEU A 55 18.936 -3.498 -21.629 1.00 22.42 H new ATOM 0 HD23 LEU A 55 17.957 -2.031 -21.867 1.00 22.42 H new ATOM 897 N ALA A 56 19.209 1.111 -19.186 1.00 13.40 N ATOM 898 CA ALA A 56 20.011 2.275 -18.830 1.00 25.34 C ATOM 899 C ALA A 56 19.221 3.239 -17.952 1.00 51.33 C ATOM 900 O ALA A 56 19.788 3.938 -17.111 1.00 31.51 O ATOM 901 CB ALA A 56 20.503 2.981 -20.084 1.00 50.23 C ATOM 0 H ALA A 56 18.972 1.049 -20.176 1.00 13.40 H new ATOM 0 HA ALA A 56 20.873 1.930 -18.259 1.00 25.34 H new ATOM 0 HB1 ALA A 56 21.100 3.848 -19.803 1.00 50.23 H new ATOM 0 HB2 ALA A 56 21.113 2.295 -20.672 1.00 50.23 H new ATOM 0 HB3 ALA A 56 19.649 3.306 -20.677 1.00 50.23 H new ATOM 907 N THR A 57 17.907 3.275 -18.154 1.00 23.40 N ATOM 908 CA THR A 57 17.039 4.155 -17.383 1.00 10.12 C ATOM 909 C THR A 57 16.882 3.656 -15.951 1.00 1.31 C ATOM 910 O THR A 57 17.181 4.374 -14.997 1.00 52.42 O ATOM 911 CB THR A 57 15.645 4.276 -18.028 1.00 24.21 C ATOM 912 OG1 THR A 57 15.771 4.694 -19.392 1.00 25.33 O ATOM 913 CG2 THR A 57 14.780 5.269 -17.266 1.00 25.51 C ATOM 0 H THR A 57 17.421 2.704 -18.846 1.00 23.40 H new ATOM 0 HA THR A 57 17.513 5.136 -17.373 1.00 10.12 H new ATOM 0 HB THR A 57 15.166 3.298 -17.991 1.00 24.21 H new ATOM 0 HG1 THR A 57 15.350 5.572 -19.505 1.00 25.33 H new ATOM 0 HG21 THR A 57 13.801 5.337 -17.740 1.00 25.51 H new ATOM 0 HG22 THR A 57 14.662 4.933 -16.236 1.00 25.51 H new ATOM 0 HG23 THR A 57 15.257 6.249 -17.275 1.00 25.51 H new ATOM 921 N ALA A 58 16.412 2.421 -15.808 1.00 2.44 N ATOM 922 CA ALA A 58 16.218 1.826 -14.491 1.00 64.24 C ATOM 923 C ALA A 58 17.537 1.733 -13.731 1.00 61.03 C ATOM 924 O ALA A 58 17.615 2.095 -12.558 1.00 12.51 O ATOM 925 CB ALA A 58 15.585 0.449 -14.623 1.00 60.34 C ATOM 0 H ALA A 58 16.159 1.813 -16.587 1.00 2.44 H new ATOM 0 HA ALA A 58 15.546 2.470 -13.923 1.00 64.24 H new ATOM 0 HB1 ALA A 58 15.446 0.016 -13.632 1.00 60.34 H new ATOM 0 HB2 ALA A 58 14.618 0.539 -15.119 1.00 60.34 H new ATOM 0 HB3 ALA A 58 16.237 -0.196 -15.212 1.00 60.34 H new ATOM 931 N ALA A 59 18.572 1.244 -14.408 1.00 15.53 N ATOM 932 CA ALA A 59 19.887 1.105 -13.796 1.00 43.41 C ATOM 933 C ALA A 59 20.446 2.462 -13.382 1.00 3.42 C ATOM 934 O ALA A 59 21.244 2.557 -12.449 1.00 0.11 O ATOM 935 CB ALA A 59 20.843 0.408 -14.753 1.00 1.51 C ATOM 0 H ALA A 59 18.524 0.938 -15.380 1.00 15.53 H new ATOM 0 HA ALA A 59 19.780 0.496 -12.898 1.00 43.41 H new ATOM 0 HB1 ALA A 59 21.822 0.311 -14.283 1.00 1.51 H new ATOM 0 HB2 ALA A 59 20.457 -0.582 -14.996 1.00 1.51 H new ATOM 0 HB3 ALA A 59 20.936 0.995 -15.666 1.00 1.51 H new ATOM 941 N ASP A 60 20.023 3.510 -14.081 1.00 65.42 N ATOM 942 CA ASP A 60 20.482 4.862 -13.786 1.00 11.04 C ATOM 943 C ASP A 60 19.878 5.367 -12.479 1.00 52.10 C ATOM 944 O ASP A 60 20.575 5.940 -11.642 1.00 24.33 O ATOM 945 CB ASP A 60 20.117 5.809 -14.930 1.00 61.32 C ATOM 946 CG ASP A 60 20.311 7.266 -14.560 1.00 43.13 C ATOM 947 OD1 ASP A 60 21.156 7.549 -13.685 1.00 30.13 O ATOM 948 OD2 ASP A 60 19.619 8.124 -15.147 1.00 64.11 O ATOM 0 H ASP A 60 19.363 3.449 -14.856 1.00 65.42 H new ATOM 0 HA ASP A 60 21.566 4.836 -13.679 1.00 11.04 H new ATOM 0 HB2 ASP A 60 20.728 5.574 -15.801 1.00 61.32 H new ATOM 0 HB3 ASP A 60 19.078 5.645 -15.216 1.00 61.32 H new ATOM 953 N ARG A 61 18.577 5.152 -12.312 1.00 51.14 N ATOM 954 CA ARG A 61 17.879 5.588 -11.109 1.00 34.40 C ATOM 955 C ARG A 61 18.560 5.042 -9.857 1.00 60.04 C ATOM 956 O ARG A 61 18.839 5.785 -8.917 1.00 35.34 O ATOM 957 CB ARG A 61 16.419 5.132 -11.148 1.00 32.34 C ATOM 958 CG ARG A 61 15.452 6.221 -11.584 1.00 21.43 C ATOM 959 CD ARG A 61 15.724 6.668 -13.011 1.00 44.32 C ATOM 960 NE ARG A 61 16.608 7.830 -13.061 1.00 54.43 N ATOM 961 CZ ARG A 61 16.691 8.645 -14.107 1.00 45.12 C ATOM 962 NH1 ARG A 61 15.949 8.426 -15.184 1.00 22.13 N ATOM 963 NH2 ARG A 61 17.519 9.682 -14.077 1.00 71.02 N ATOM 0 H ARG A 61 17.985 4.679 -12.995 1.00 51.14 H new ATOM 0 HA ARG A 61 17.912 6.677 -11.074 1.00 34.40 H new ATOM 0 HB2 ARG A 61 16.330 4.285 -11.828 1.00 32.34 H new ATOM 0 HB3 ARG A 61 16.131 4.777 -10.158 1.00 32.34 H new ATOM 0 HG2 ARG A 61 14.429 5.853 -11.505 1.00 21.43 H new ATOM 0 HG3 ARG A 61 15.537 7.075 -10.912 1.00 21.43 H new ATOM 0 HD2 ARG A 61 16.173 5.846 -13.569 1.00 44.32 H new ATOM 0 HD3 ARG A 61 14.781 6.908 -13.502 1.00 44.32 H new ATOM 0 HE ARG A 61 17.193 8.026 -12.249 1.00 54.43 H new ATOM 0 HH11 ARG A 61 15.312 7.630 -15.211 1.00 22.13 H new ATOM 0 HH12 ARG A 61 16.015 9.054 -15.985 1.00 22.13 H new ATOM 0 HH21 ARG A 61 18.092 9.853 -13.251 1.00 71.02 H new ATOM 0 HH22 ARG A 61 17.582 10.307 -14.880 1.00 71.02 H new ATOM 977 N ALA A 62 18.825 3.740 -9.854 1.00 71.32 N ATOM 978 CA ALA A 62 19.475 3.095 -8.720 1.00 13.12 C ATOM 979 C ALA A 62 20.934 3.523 -8.607 1.00 50.01 C ATOM 980 O ALA A 62 21.405 3.877 -7.527 1.00 1.12 O ATOM 981 CB ALA A 62 19.374 1.582 -8.844 1.00 24.00 C ATOM 0 H ALA A 62 18.599 3.111 -10.625 1.00 71.32 H new ATOM 0 HA ALA A 62 18.961 3.409 -7.812 1.00 13.12 H new ATOM 0 HB1 ALA A 62 19.864 1.113 -7.990 1.00 24.00 H new ATOM 0 HB2 ALA A 62 18.325 1.288 -8.867 1.00 24.00 H new ATOM 0 HB3 ALA A 62 19.861 1.259 -9.764 1.00 24.00 H new ATOM 987 N ALA A 63 21.645 3.487 -9.729 1.00 53.15 N ATOM 988 CA ALA A 63 23.050 3.873 -9.756 1.00 61.43 C ATOM 989 C ALA A 63 23.238 5.300 -9.253 1.00 32.44 C ATOM 990 O ALA A 63 24.277 5.637 -8.685 1.00 52.40 O ATOM 991 CB ALA A 63 23.610 3.730 -11.164 1.00 73.10 C ATOM 0 H ALA A 63 21.271 3.194 -10.632 1.00 53.15 H new ATOM 0 HA ALA A 63 23.597 3.206 -9.089 1.00 61.43 H new ATOM 0 HB1 ALA A 63 24.660 4.022 -11.169 1.00 73.10 H new ATOM 0 HB2 ALA A 63 23.520 2.693 -11.488 1.00 73.10 H new ATOM 0 HB3 ALA A 63 23.052 4.373 -11.845 1.00 73.10 H new ATOM 997 N LYS A 64 22.226 6.135 -9.464 1.00 61.42 N ATOM 998 CA LYS A 64 22.278 7.526 -9.031 1.00 63.14 C ATOM 999 C LYS A 64 22.432 7.619 -7.517 1.00 11.14 C ATOM 1000 O LYS A 64 22.833 8.654 -6.986 1.00 41.12 O ATOM 1001 CB LYS A 64 21.014 8.267 -9.473 1.00 62.20 C ATOM 1002 CG LYS A 64 21.043 8.706 -10.927 1.00 3.23 C ATOM 1003 CD LYS A 64 21.402 10.177 -11.058 1.00 30.15 C ATOM 1004 CE LYS A 64 22.903 10.374 -11.203 1.00 22.32 C ATOM 1005 NZ LYS A 64 23.231 11.398 -12.233 1.00 22.11 N ATOM 0 H LYS A 64 21.359 5.872 -9.933 1.00 61.42 H new ATOM 0 HA LYS A 64 23.146 7.993 -9.496 1.00 63.14 H new ATOM 0 HB2 LYS A 64 20.150 7.621 -9.314 1.00 62.20 H new ATOM 0 HB3 LYS A 64 20.877 9.144 -8.840 1.00 62.20 H new ATOM 0 HG2 LYS A 64 21.767 8.104 -11.476 1.00 3.23 H new ATOM 0 HG3 LYS A 64 20.069 8.526 -11.382 1.00 3.23 H new ATOM 0 HD2 LYS A 64 20.893 10.601 -11.924 1.00 30.15 H new ATOM 0 HD3 LYS A 64 21.046 10.719 -10.182 1.00 30.15 H new ATOM 0 HE2 LYS A 64 23.324 10.676 -10.244 1.00 22.32 H new ATOM 0 HE3 LYS A 64 23.369 9.426 -11.472 1.00 22.32 H new ATOM 0 HZ1 LYS A 64 24.263 11.503 -12.302 1.00 22.11 H new ATOM 0 HZ2 LYS A 64 22.851 11.098 -13.154 1.00 22.11 H new ATOM 0 HZ3 LYS A 64 22.808 12.309 -11.964 1.00 22.11 H new ATOM 1019 N GLY A 65 22.111 6.529 -6.825 1.00 51.54 N ATOM 1020 CA GLY A 65 22.221 6.510 -5.379 1.00 24.45 C ATOM 1021 C GLY A 65 20.902 6.200 -4.701 1.00 34.55 C ATOM 1022 O GLY A 65 20.747 6.417 -3.499 1.00 42.02 O ATOM 0 H GLY A 65 21.777 5.660 -7.241 1.00 51.54 H new ATOM 0 HA2 GLY A 65 22.961 5.766 -5.084 1.00 24.45 H new ATOM 0 HA3 GLY A 65 22.585 7.477 -5.033 1.00 24.45 H new ATOM 1026 N ALA A 66 19.947 5.691 -5.472 1.00 55.45 N ATOM 1027 CA ALA A 66 18.633 5.351 -4.939 1.00 65.10 C ATOM 1028 C ALA A 66 17.970 6.565 -4.297 1.00 22.41 C ATOM 1029 O ALA A 66 17.721 6.582 -3.091 1.00 53.53 O ATOM 1030 CB ALA A 66 18.751 4.217 -3.932 1.00 20.42 C ATOM 0 H ALA A 66 20.059 5.505 -6.469 1.00 55.45 H new ATOM 0 HA ALA A 66 18.005 5.023 -5.767 1.00 65.10 H new ATOM 0 HB1 ALA A 66 17.763 3.973 -3.542 1.00 20.42 H new ATOM 0 HB2 ALA A 66 19.175 3.340 -4.420 1.00 20.42 H new ATOM 0 HB3 ALA A 66 19.399 4.525 -3.112 1.00 20.42 H new ATOM 1036 N TYR A 67 17.688 7.577 -5.109 1.00 12.21 N ATOM 1037 CA TYR A 67 17.056 8.797 -4.619 1.00 22.41 C ATOM 1038 C TYR A 67 15.803 8.474 -3.811 1.00 55.25 C ATOM 1039 O TYR A 67 14.756 8.149 -4.371 1.00 64.11 O ATOM 1040 CB TYR A 67 16.701 9.717 -5.788 1.00 11.03 C ATOM 1041 CG TYR A 67 17.556 10.962 -5.860 1.00 11.04 C ATOM 1042 CD1 TYR A 67 18.773 10.955 -6.531 1.00 32.25 C ATOM 1043 CD2 TYR A 67 17.148 12.145 -5.256 1.00 72.00 C ATOM 1044 CE1 TYR A 67 19.558 12.090 -6.598 1.00 72.43 C ATOM 1045 CE2 TYR A 67 17.926 13.285 -5.320 1.00 35.20 C ATOM 1046 CZ TYR A 67 19.130 13.252 -5.992 1.00 14.20 C ATOM 1047 OH TYR A 67 19.908 14.385 -6.057 1.00 11.23 O ATOM 0 H TYR A 67 17.887 7.577 -6.109 1.00 12.21 H new ATOM 0 HA TYR A 67 17.765 9.307 -3.967 1.00 22.41 H new ATOM 0 HB2 TYR A 67 16.803 9.162 -6.720 1.00 11.03 H new ATOM 0 HB3 TYR A 67 15.654 10.010 -5.704 1.00 11.03 H new ATOM 0 HD1 TYR A 67 19.111 10.047 -7.008 1.00 32.25 H new ATOM 0 HD2 TYR A 67 16.207 12.174 -4.727 1.00 72.00 H new ATOM 0 HE1 TYR A 67 20.502 12.067 -7.122 1.00 72.43 H new ATOM 0 HE2 TYR A 67 17.593 14.197 -4.846 1.00 35.20 H new ATOM 0 HH TYR A 67 19.462 15.116 -5.580 1.00 11.23 H new ATOM 1057 N GLY A 68 15.917 8.568 -2.490 1.00 70.00 N ATOM 1058 CA GLY A 68 14.786 8.284 -1.626 1.00 5.15 C ATOM 1059 C GLY A 68 13.786 9.423 -1.586 1.00 64.42 C ATOM 1060 O GLY A 68 13.725 10.236 -2.508 1.00 42.42 O ATOM 0 H GLY A 68 16.772 8.836 -2.003 1.00 70.00 H new ATOM 0 HA2 GLY A 68 14.287 7.379 -1.972 1.00 5.15 H new ATOM 0 HA3 GLY A 68 15.145 8.084 -0.616 1.00 5.15 H new ATOM 1064 N TYR A 69 13.000 9.480 -0.518 1.00 13.05 N ATOM 1065 CA TYR A 69 11.994 10.525 -0.364 1.00 24.23 C ATOM 1066 C TYR A 69 11.000 10.499 -1.521 1.00 21.34 C ATOM 1067 O TYR A 69 11.170 11.203 -2.516 1.00 61.11 O ATOM 1068 CB TYR A 69 12.664 11.898 -0.283 1.00 32.22 C ATOM 1069 CG TYR A 69 12.582 12.532 1.087 1.00 35.24 C ATOM 1070 CD1 TYR A 69 13.119 11.898 2.201 1.00 63.11 C ATOM 1071 CD2 TYR A 69 11.966 13.764 1.269 1.00 75.31 C ATOM 1072 CE1 TYR A 69 13.046 12.473 3.455 1.00 70.20 C ATOM 1073 CE2 TYR A 69 11.889 14.347 2.519 1.00 71.21 C ATOM 1074 CZ TYR A 69 12.430 13.697 3.609 1.00 43.43 C ATOM 1075 OH TYR A 69 12.355 14.274 4.856 1.00 52.32 O ATOM 0 H TYR A 69 13.039 8.815 0.255 1.00 13.05 H new ATOM 0 HA TYR A 69 11.450 10.338 0.562 1.00 24.23 H new ATOM 0 HB2 TYR A 69 13.712 11.799 -0.566 1.00 32.22 H new ATOM 0 HB3 TYR A 69 12.199 12.563 -1.010 1.00 32.22 H new ATOM 0 HD1 TYR A 69 13.602 10.939 2.084 1.00 63.11 H new ATOM 0 HD2 TYR A 69 11.540 14.275 0.418 1.00 75.31 H new ATOM 0 HE1 TYR A 69 13.469 11.967 4.310 1.00 70.20 H new ATOM 0 HE2 TYR A 69 11.408 15.306 2.642 1.00 71.21 H new ATOM 0 HH TYR A 69 11.891 15.135 4.791 1.00 52.32 H new ATOM 1085 N ASP A 70 9.962 9.682 -1.381 1.00 72.00 N ATOM 1086 CA ASP A 70 8.938 9.564 -2.413 1.00 32.14 C ATOM 1087 C ASP A 70 7.573 9.278 -1.794 1.00 23.44 C ATOM 1088 O ASP A 70 7.451 8.450 -0.891 1.00 31.42 O ATOM 1089 CB ASP A 70 9.305 8.457 -3.402 1.00 24.32 C ATOM 1090 CG ASP A 70 9.160 8.898 -4.845 1.00 4.01 C ATOM 1091 OD1 ASP A 70 8.206 9.646 -5.143 1.00 71.21 O ATOM 1092 OD2 ASP A 70 10.001 8.495 -5.676 1.00 72.13 O ATOM 0 H ASP A 70 9.807 9.092 -0.564 1.00 72.00 H new ATOM 0 HA ASP A 70 8.884 10.513 -2.946 1.00 32.14 H new ATOM 0 HB2 ASP A 70 10.333 8.140 -3.223 1.00 24.32 H new ATOM 0 HB3 ASP A 70 8.669 7.590 -3.225 1.00 24.32 H new ATOM 1097 N VAL A 71 6.550 9.969 -2.285 1.00 35.15 N ATOM 1098 CA VAL A 71 5.194 9.789 -1.780 1.00 15.11 C ATOM 1099 C VAL A 71 4.469 8.681 -2.535 1.00 34.32 C ATOM 1100 O VAL A 71 3.377 8.264 -2.147 1.00 43.13 O ATOM 1101 CB VAL A 71 4.376 11.090 -1.891 1.00 4.03 C ATOM 1102 CG1 VAL A 71 4.119 11.436 -3.349 1.00 53.32 C ATOM 1103 CG2 VAL A 71 3.068 10.964 -1.125 1.00 20.31 C ATOM 0 H VAL A 71 6.634 10.659 -3.032 1.00 35.15 H new ATOM 0 HA VAL A 71 5.282 9.512 -0.729 1.00 15.11 H new ATOM 0 HB VAL A 71 4.953 11.901 -1.447 1.00 4.03 H new ATOM 0 HG11 VAL A 71 3.540 12.358 -3.408 1.00 53.32 H new ATOM 0 HG12 VAL A 71 5.070 11.572 -3.864 1.00 53.32 H new ATOM 0 HG13 VAL A 71 3.562 10.627 -3.822 1.00 53.32 H new ATOM 0 HG21 VAL A 71 2.503 11.892 -1.214 1.00 20.31 H new ATOM 0 HG22 VAL A 71 2.483 10.142 -1.537 1.00 20.31 H new ATOM 0 HG23 VAL A 71 3.279 10.768 -0.074 1.00 20.31 H new ATOM 1113 N GLN A 72 5.083 8.207 -3.614 1.00 3.30 N ATOM 1114 CA GLN A 72 4.496 7.147 -4.424 1.00 33.54 C ATOM 1115 C GLN A 72 5.434 6.743 -5.556 1.00 22.41 C ATOM 1116 O GLN A 72 4.992 6.442 -6.666 1.00 0.53 O ATOM 1117 CB GLN A 72 3.151 7.599 -4.996 1.00 62.53 C ATOM 1118 CG GLN A 72 2.157 6.464 -5.184 1.00 23.34 C ATOM 1119 CD GLN A 72 2.328 5.751 -6.511 1.00 1.41 C ATOM 1120 OE1 GLN A 72 2.394 4.523 -6.565 1.00 73.04 O ATOM 1121 NE2 GLN A 72 2.401 6.521 -7.591 1.00 31.42 N ATOM 0 H GLN A 72 5.987 8.541 -3.948 1.00 3.30 H new ATOM 0 HA GLN A 72 4.337 6.280 -3.783 1.00 33.54 H new ATOM 0 HB2 GLN A 72 2.716 8.346 -4.332 1.00 62.53 H new ATOM 0 HB3 GLN A 72 3.319 8.086 -5.956 1.00 62.53 H new ATOM 0 HG2 GLN A 72 2.274 5.746 -4.372 1.00 23.34 H new ATOM 0 HG3 GLN A 72 1.143 6.859 -5.116 1.00 23.34 H new ATOM 0 HE21 GLN A 72 2.342 7.535 -7.499 1.00 31.42 H new ATOM 0 HE22 GLN A 72 2.516 6.098 -8.512 1.00 31.42 H new ATOM 1130 N LEU A 73 6.731 6.737 -5.269 1.00 42.50 N ATOM 1131 CA LEU A 73 7.733 6.371 -6.264 1.00 23.53 C ATOM 1132 C LEU A 73 7.529 7.153 -7.557 1.00 73.31 C ATOM 1133 O LEU A 73 7.605 6.595 -8.652 1.00 65.33 O ATOM 1134 CB LEU A 73 7.673 4.869 -6.547 1.00 73.45 C ATOM 1135 CG LEU A 73 7.947 3.949 -5.357 1.00 32.00 C ATOM 1136 CD1 LEU A 73 9.144 4.447 -4.563 1.00 23.34 C ATOM 1137 CD2 LEU A 73 6.717 3.849 -4.466 1.00 3.42 C ATOM 0 H LEU A 73 7.113 6.981 -4.356 1.00 42.50 H new ATOM 0 HA LEU A 73 8.715 6.620 -5.863 1.00 23.53 H new ATOM 0 HB2 LEU A 73 6.685 4.634 -6.942 1.00 73.45 H new ATOM 0 HB3 LEU A 73 8.393 4.639 -7.332 1.00 73.45 H new ATOM 0 HG LEU A 73 8.177 2.954 -5.737 1.00 32.00 H new ATOM 0 HD11 LEU A 73 9.324 3.780 -3.720 1.00 23.34 H new ATOM 0 HD12 LEU A 73 10.024 4.466 -5.205 1.00 23.34 H new ATOM 0 HD13 LEU A 73 8.943 5.453 -4.194 1.00 23.34 H new ATOM 0 HD21 LEU A 73 6.930 3.190 -3.624 1.00 3.42 H new ATOM 0 HD22 LEU A 73 6.455 4.840 -4.094 1.00 3.42 H new ATOM 0 HD23 LEU A 73 5.883 3.445 -5.041 1.00 3.42 H new ATOM 1149 N THR A 74 7.270 8.450 -7.424 1.00 34.13 N ATOM 1150 CA THR A 74 7.055 9.309 -8.581 1.00 1.41 C ATOM 1151 C THR A 74 8.288 9.343 -9.477 1.00 31.01 C ATOM 1152 O THR A 74 8.195 9.642 -10.668 1.00 63.20 O ATOM 1153 CB THR A 74 6.705 10.748 -8.155 1.00 74.42 C ATOM 1154 OG1 THR A 74 6.194 11.479 -9.275 1.00 52.31 O ATOM 1155 CG2 THR A 74 7.926 11.459 -7.593 1.00 63.40 C ATOM 0 H THR A 74 7.204 8.929 -6.526 1.00 34.13 H new ATOM 0 HA THR A 74 6.217 8.888 -9.136 1.00 1.41 H new ATOM 0 HB THR A 74 5.944 10.698 -7.376 1.00 74.42 H new ATOM 0 HG1 THR A 74 5.972 12.392 -8.996 1.00 52.31 H new ATOM 0 HG21 THR A 74 7.654 12.473 -7.299 1.00 63.40 H new ATOM 0 HG22 THR A 74 8.295 10.916 -6.723 1.00 63.40 H new ATOM 0 HG23 THR A 74 8.706 11.499 -8.353 1.00 63.40 H new ATOM 1163 N THR A 75 9.444 9.034 -8.897 1.00 72.23 N ATOM 1164 CA THR A 75 10.696 9.029 -9.643 1.00 53.04 C ATOM 1165 C THR A 75 10.666 7.993 -10.761 1.00 55.35 C ATOM 1166 O THR A 75 10.958 8.303 -11.917 1.00 42.41 O ATOM 1167 CB THR A 75 11.897 8.740 -8.723 1.00 72.25 C ATOM 1168 OG1 THR A 75 11.701 7.498 -8.037 1.00 54.51 O ATOM 1169 CG2 THR A 75 12.086 9.860 -7.712 1.00 13.12 C ATOM 0 H THR A 75 9.539 8.784 -7.913 1.00 72.23 H new ATOM 0 HA THR A 75 10.810 10.023 -10.075 1.00 53.04 H new ATOM 0 HB THR A 75 12.793 8.675 -9.341 1.00 72.25 H new ATOM 0 HG1 THR A 75 11.147 7.647 -7.242 1.00 54.51 H new ATOM 0 HG21 THR A 75 12.940 9.634 -7.073 1.00 13.12 H new ATOM 0 HG22 THR A 75 12.265 10.798 -8.237 1.00 13.12 H new ATOM 0 HG23 THR A 75 11.189 9.952 -7.099 1.00 13.12 H new ATOM 1177 N LEU A 76 10.309 6.762 -10.412 1.00 4.34 N ATOM 1178 CA LEU A 76 10.240 5.680 -11.387 1.00 20.52 C ATOM 1179 C LEU A 76 8.955 5.764 -12.204 1.00 35.25 C ATOM 1180 O LEU A 76 8.933 5.418 -13.385 1.00 13.10 O ATOM 1181 CB LEU A 76 10.321 4.325 -10.681 1.00 23.11 C ATOM 1182 CG LEU A 76 11.320 4.228 -9.527 1.00 44.04 C ATOM 1183 CD1 LEU A 76 11.407 2.799 -9.015 1.00 30.12 C ATOM 1184 CD2 LEU A 76 12.691 4.723 -9.966 1.00 11.32 C ATOM 0 H LEU A 76 10.063 6.488 -9.461 1.00 4.34 H new ATOM 0 HA LEU A 76 11.087 5.781 -12.065 1.00 20.52 H new ATOM 0 HB2 LEU A 76 9.331 4.077 -10.300 1.00 23.11 H new ATOM 0 HB3 LEU A 76 10.577 3.567 -11.421 1.00 23.11 H new ATOM 0 HG LEU A 76 10.969 4.863 -8.714 1.00 44.04 H new ATOM 0 HD11 LEU A 76 12.123 2.750 -8.194 1.00 30.12 H new ATOM 0 HD12 LEU A 76 10.427 2.479 -8.662 1.00 30.12 H new ATOM 0 HD13 LEU A 76 11.734 2.143 -9.822 1.00 30.12 H new ATOM 0 HD21 LEU A 76 13.389 4.647 -9.133 1.00 11.32 H new ATOM 0 HD22 LEU A 76 13.049 4.114 -10.796 1.00 11.32 H new ATOM 0 HD23 LEU A 76 12.618 5.763 -10.284 1.00 11.32 H new ATOM 1196 N LYS A 77 7.885 6.228 -11.567 1.00 34.32 N ATOM 1197 CA LYS A 77 6.595 6.362 -12.234 1.00 30.32 C ATOM 1198 C LYS A 77 6.648 7.442 -13.309 1.00 64.15 C ATOM 1199 O LYS A 77 6.060 7.294 -14.380 1.00 33.43 O ATOM 1200 CB LYS A 77 5.503 6.695 -11.215 1.00 12.20 C ATOM 1201 CG LYS A 77 4.395 5.658 -11.149 1.00 41.13 C ATOM 1202 CD LYS A 77 4.431 4.886 -9.841 1.00 12.10 C ATOM 1203 CE LYS A 77 5.332 3.665 -9.939 1.00 20.22 C ATOM 1204 NZ LYS A 77 6.772 4.027 -9.825 1.00 12.44 N ATOM 0 H LYS A 77 7.886 6.518 -10.589 1.00 34.32 H new ATOM 0 HA LYS A 77 6.360 5.410 -12.711 1.00 30.32 H new ATOM 0 HB2 LYS A 77 5.956 6.793 -10.229 1.00 12.20 H new ATOM 0 HB3 LYS A 77 5.069 7.663 -11.464 1.00 12.20 H new ATOM 0 HG2 LYS A 77 3.428 6.150 -11.256 1.00 41.13 H new ATOM 0 HG3 LYS A 77 4.494 4.965 -11.984 1.00 41.13 H new ATOM 0 HD2 LYS A 77 4.785 5.538 -9.042 1.00 12.10 H new ATOM 0 HD3 LYS A 77 3.421 4.574 -9.574 1.00 12.10 H new ATOM 0 HE2 LYS A 77 5.072 2.958 -9.151 1.00 20.22 H new ATOM 0 HE3 LYS A 77 5.158 3.161 -10.890 1.00 20.22 H new ATOM 0 HZ1 LYS A 77 7.222 3.961 -10.760 1.00 12.44 H new ATOM 0 HZ2 LYS A 77 6.858 5.000 -9.468 1.00 12.44 H new ATOM 0 HZ3 LYS A 77 7.243 3.374 -9.167 1.00 12.44 H new ATOM 1218 N GLU A 78 7.359 8.527 -13.018 1.00 31.15 N ATOM 1219 CA GLU A 78 7.489 9.631 -13.961 1.00 72.13 C ATOM 1220 C GLU A 78 8.468 9.280 -15.078 1.00 74.30 C ATOM 1221 O GLU A 78 8.356 9.782 -16.197 1.00 20.25 O ATOM 1222 CB GLU A 78 7.955 10.897 -13.239 1.00 20.52 C ATOM 1223 CG GLU A 78 8.036 12.117 -14.140 1.00 43.03 C ATOM 1224 CD GLU A 78 8.932 13.202 -13.574 1.00 71.21 C ATOM 1225 OE1 GLU A 78 10.168 13.028 -13.606 1.00 51.20 O ATOM 1226 OE2 GLU A 78 8.396 14.225 -13.099 1.00 73.02 O ATOM 0 H GLU A 78 7.854 8.665 -12.137 1.00 31.15 H new ATOM 0 HA GLU A 78 6.510 9.814 -14.403 1.00 72.13 H new ATOM 0 HB2 GLU A 78 7.272 11.108 -12.416 1.00 20.52 H new ATOM 0 HB3 GLU A 78 8.936 10.714 -12.800 1.00 20.52 H new ATOM 0 HG2 GLU A 78 8.409 11.817 -15.119 1.00 43.03 H new ATOM 0 HG3 GLU A 78 7.034 12.520 -14.291 1.00 43.03 H new ATOM 1233 N ASP A 79 9.426 8.415 -14.766 1.00 24.13 N ATOM 1234 CA ASP A 79 10.425 7.995 -15.742 1.00 3.41 C ATOM 1235 C ASP A 79 9.847 6.959 -16.700 1.00 71.21 C ATOM 1236 O ASP A 79 10.013 7.063 -17.916 1.00 34.31 O ATOM 1237 CB ASP A 79 11.654 7.423 -15.033 1.00 14.03 C ATOM 1238 CG ASP A 79 12.673 8.491 -14.689 1.00 24.23 C ATOM 1239 OD1 ASP A 79 13.122 9.201 -15.612 1.00 43.31 O ATOM 1240 OD2 ASP A 79 13.023 8.615 -13.496 1.00 44.32 O ATOM 0 H ASP A 79 9.532 7.991 -13.845 1.00 24.13 H new ATOM 0 HA ASP A 79 10.723 8.870 -16.319 1.00 3.41 H new ATOM 0 HB2 ASP A 79 11.340 6.917 -14.120 1.00 14.03 H new ATOM 0 HB3 ASP A 79 12.120 6.672 -15.670 1.00 14.03 H new ATOM 1245 N ILE A 80 9.169 5.960 -16.144 1.00 43.15 N ATOM 1246 CA ILE A 80 8.567 4.905 -16.950 1.00 12.11 C ATOM 1247 C ILE A 80 7.456 5.457 -17.837 1.00 0.21 C ATOM 1248 O ILE A 80 7.285 5.024 -18.977 1.00 1.53 O ATOM 1249 CB ILE A 80 7.993 3.781 -16.067 1.00 53.22 C ATOM 1250 CG1 ILE A 80 7.428 2.657 -16.938 1.00 63.11 C ATOM 1251 CG2 ILE A 80 6.918 4.332 -15.141 1.00 63.52 C ATOM 1252 CD1 ILE A 80 8.452 2.037 -17.863 1.00 23.22 C ATOM 0 H ILE A 80 9.023 5.859 -15.140 1.00 43.15 H new ATOM 0 HA ILE A 80 9.359 4.495 -17.577 1.00 12.11 H new ATOM 0 HB ILE A 80 8.798 3.372 -15.456 1.00 53.22 H new ATOM 0 HG12 ILE A 80 7.016 1.881 -16.293 1.00 63.11 H new ATOM 0 HG13 ILE A 80 6.603 3.049 -17.533 1.00 63.11 H new ATOM 0 HG21 ILE A 80 6.522 3.526 -14.523 1.00 63.52 H new ATOM 0 HG22 ILE A 80 7.349 5.102 -14.501 1.00 63.52 H new ATOM 0 HG23 ILE A 80 6.112 4.763 -15.735 1.00 63.52 H new ATOM 0 HD11 ILE A 80 7.982 1.248 -18.450 1.00 23.22 H new ATOM 0 HD12 ILE A 80 8.847 2.801 -18.533 1.00 23.22 H new ATOM 0 HD13 ILE A 80 9.266 1.615 -17.274 1.00 23.22 H new ATOM 1264 N ARG A 81 6.705 6.417 -17.307 1.00 34.54 N ATOM 1265 CA ARG A 81 5.610 7.029 -18.050 1.00 63.13 C ATOM 1266 C ARG A 81 6.144 7.952 -19.142 1.00 22.21 C ATOM 1267 O ARG A 81 5.543 8.082 -20.209 1.00 32.01 O ATOM 1268 CB ARG A 81 4.699 7.814 -17.105 1.00 30.52 C ATOM 1269 CG ARG A 81 5.269 9.159 -16.686 1.00 63.21 C ATOM 1270 CD ARG A 81 4.320 9.902 -15.760 1.00 10.43 C ATOM 1271 NE ARG A 81 3.036 10.179 -16.399 1.00 21.44 N ATOM 1272 CZ ARG A 81 1.970 10.625 -15.744 1.00 2.24 C ATOM 1273 NH1 ARG A 81 2.035 10.845 -14.438 1.00 13.43 N ATOM 1274 NH2 ARG A 81 0.837 10.853 -16.395 1.00 51.01 N ATOM 0 H ARG A 81 6.835 6.788 -16.366 1.00 34.54 H new ATOM 0 HA ARG A 81 5.033 6.232 -18.520 1.00 63.13 H new ATOM 0 HB2 ARG A 81 3.736 7.973 -17.591 1.00 30.52 H new ATOM 0 HB3 ARG A 81 4.512 7.215 -16.214 1.00 30.52 H new ATOM 0 HG2 ARG A 81 6.225 9.010 -16.185 1.00 63.21 H new ATOM 0 HG3 ARG A 81 5.464 9.765 -17.571 1.00 63.21 H new ATOM 0 HD2 ARG A 81 4.156 9.311 -14.859 1.00 10.43 H new ATOM 0 HD3 ARG A 81 4.779 10.840 -15.447 1.00 10.43 H new ATOM 0 HE ARG A 81 2.953 10.021 -17.403 1.00 21.44 H new ATOM 0 HH11 ARG A 81 2.905 10.672 -13.934 1.00 13.43 H new ATOM 0 HH12 ARG A 81 1.215 11.188 -13.937 1.00 13.43 H new ATOM 0 HH21 ARG A 81 0.784 10.686 -17.400 1.00 51.01 H new ATOM 0 HH22 ARG A 81 0.019 11.195 -15.891 1.00 51.01 H new ATOM 1288 N LEU A 82 7.276 8.591 -18.868 1.00 21.25 N ATOM 1289 CA LEU A 82 7.892 9.503 -19.826 1.00 34.53 C ATOM 1290 C LEU A 82 8.485 8.736 -21.003 1.00 61.31 C ATOM 1291 O LEU A 82 8.348 9.145 -22.156 1.00 35.15 O ATOM 1292 CB LEU A 82 8.980 10.333 -19.143 1.00 15.22 C ATOM 1293 CG LEU A 82 9.534 11.507 -19.951 1.00 25.32 C ATOM 1294 CD1 LEU A 82 10.499 11.012 -21.017 1.00 25.31 C ATOM 1295 CD2 LEU A 82 8.402 12.302 -20.582 1.00 55.54 C ATOM 0 H LEU A 82 7.786 8.494 -17.990 1.00 21.25 H new ATOM 0 HA LEU A 82 7.118 10.171 -20.204 1.00 34.53 H new ATOM 0 HB2 LEU A 82 8.580 10.720 -18.206 1.00 15.22 H new ATOM 0 HB3 LEU A 82 9.807 9.671 -18.887 1.00 15.22 H new ATOM 0 HG LEU A 82 10.079 12.165 -19.274 1.00 25.32 H new ATOM 0 HD11 LEU A 82 10.883 11.861 -21.582 1.00 25.31 H new ATOM 0 HD12 LEU A 82 11.328 10.487 -20.542 1.00 25.31 H new ATOM 0 HD13 LEU A 82 9.978 10.333 -21.692 1.00 25.31 H new ATOM 0 HD21 LEU A 82 8.815 13.133 -21.153 1.00 55.54 H new ATOM 0 HD22 LEU A 82 7.829 11.655 -21.246 1.00 55.54 H new ATOM 0 HD23 LEU A 82 7.749 12.688 -19.800 1.00 55.54 H new ATOM 1307 N MET A 83 9.144 7.621 -20.705 1.00 34.52 N ATOM 1308 CA MET A 83 9.755 6.795 -21.740 1.00 30.45 C ATOM 1309 C MET A 83 8.693 6.199 -22.658 1.00 33.53 C ATOM 1310 O MET A 83 8.758 6.347 -23.878 1.00 44.20 O ATOM 1311 CB MET A 83 10.584 5.676 -21.105 1.00 73.35 C ATOM 1312 CG MET A 83 12.058 6.017 -20.965 1.00 64.42 C ATOM 1313 SD MET A 83 12.329 7.687 -20.343 1.00 50.33 S ATOM 1314 CE MET A 83 12.786 7.347 -18.645 1.00 60.43 C ATOM 0 H MET A 83 9.269 7.269 -19.756 1.00 34.52 H new ATOM 0 HA MET A 83 10.410 7.429 -22.337 1.00 30.45 H new ATOM 0 HB2 MET A 83 10.177 5.448 -20.120 1.00 73.35 H new ATOM 0 HB3 MET A 83 10.484 4.774 -21.708 1.00 73.35 H new ATOM 0 HG2 MET A 83 12.530 5.302 -20.291 1.00 64.42 H new ATOM 0 HG3 MET A 83 12.545 5.911 -21.934 1.00 64.42 H new ATOM 0 HE1 MET A 83 12.311 8.075 -17.988 1.00 60.43 H new ATOM 0 HE2 MET A 83 12.457 6.344 -18.373 1.00 60.43 H new ATOM 0 HE3 MET A 83 13.869 7.414 -18.539 1.00 60.43 H new ATOM 1324 N VAL A 84 7.714 5.523 -22.063 1.00 43.02 N ATOM 1325 CA VAL A 84 6.637 4.905 -22.828 1.00 5.32 C ATOM 1326 C VAL A 84 5.893 5.940 -23.663 1.00 52.43 C ATOM 1327 O VAL A 84 5.440 5.650 -24.770 1.00 10.42 O ATOM 1328 CB VAL A 84 5.634 4.188 -21.905 1.00 50.03 C ATOM 1329 CG1 VAL A 84 5.012 5.171 -20.926 1.00 13.41 C ATOM 1330 CG2 VAL A 84 4.561 3.490 -22.727 1.00 31.32 C ATOM 0 H VAL A 84 7.645 5.390 -21.054 1.00 43.02 H new ATOM 0 HA VAL A 84 7.098 4.172 -23.490 1.00 5.32 H new ATOM 0 HB VAL A 84 6.170 3.432 -21.331 1.00 50.03 H new ATOM 0 HG11 VAL A 84 4.306 4.646 -20.282 1.00 13.41 H new ATOM 0 HG12 VAL A 84 5.795 5.621 -20.315 1.00 13.41 H new ATOM 0 HG13 VAL A 84 4.488 5.952 -21.478 1.00 13.41 H new ATOM 0 HG21 VAL A 84 3.860 2.988 -22.060 1.00 31.32 H new ATOM 0 HG22 VAL A 84 4.026 4.226 -23.328 1.00 31.32 H new ATOM 0 HG23 VAL A 84 5.026 2.755 -23.384 1.00 31.32 H new ATOM 1340 N ASN A 85 5.770 7.150 -23.126 1.00 24.33 N ATOM 1341 CA ASN A 85 5.080 8.229 -23.822 1.00 42.40 C ATOM 1342 C ASN A 85 5.739 8.517 -25.168 1.00 12.42 C ATOM 1343 O ASN A 85 5.070 8.568 -26.199 1.00 63.32 O ATOM 1344 CB ASN A 85 5.074 9.496 -22.963 1.00 75.24 C ATOM 1345 CG ASN A 85 3.814 9.621 -22.128 1.00 41.41 C ATOM 1346 OD1 ASN A 85 2.731 9.219 -22.553 1.00 62.52 O ATOM 1347 ND2 ASN A 85 3.951 10.183 -20.932 1.00 71.24 N ATOM 0 H ASN A 85 6.140 7.407 -22.211 1.00 24.33 H new ATOM 0 HA ASN A 85 4.052 7.914 -24.001 1.00 42.40 H new ATOM 0 HB2 ASN A 85 5.943 9.490 -22.306 1.00 75.24 H new ATOM 0 HB3 ASN A 85 5.168 10.370 -23.608 1.00 75.24 H new ATOM 0 HD21 ASN A 85 3.139 10.296 -20.325 1.00 71.24 H new ATOM 0 HD22 ASN A 85 4.868 10.502 -20.620 1.00 71.24 H new ATOM 1354 N ASN A 86 7.054 8.705 -25.148 1.00 44.14 N ATOM 1355 CA ASN A 86 7.804 8.988 -26.367 1.00 21.11 C ATOM 1356 C ASN A 86 8.024 7.715 -27.178 1.00 71.33 C ATOM 1357 O ASN A 86 8.276 7.770 -28.383 1.00 31.34 O ATOM 1358 CB ASN A 86 9.152 9.627 -26.025 1.00 34.02 C ATOM 1359 CG ASN A 86 9.747 10.384 -27.197 1.00 32.54 C ATOM 1360 OD1 ASN A 86 10.787 9.819 -27.798 1.00 64.25 O flip ATOM 1361 ND2 ASN A 86 9.276 11.463 -27.556 1.00 62.32 N flip ATOM 0 H ASN A 86 7.623 8.667 -24.302 1.00 44.14 H new ATOM 0 HA ASN A 86 7.221 9.685 -26.969 1.00 21.11 H new ATOM 0 HB2 ASN A 86 9.025 10.308 -25.183 1.00 34.02 H new ATOM 0 HB3 ASN A 86 9.848 8.851 -25.706 1.00 34.02 H new ATOM 0 HD21 ASN A 86 8.475 11.859 -27.064 1.00 62.32 H new ATOM 0 HD22 ASN A 86 9.686 11.961 -28.346 1.00 62.32 H new ATOM 1368 N CYS A 87 7.926 6.570 -26.511 1.00 2.41 N ATOM 1369 CA CYS A 87 8.114 5.283 -27.170 1.00 24.34 C ATOM 1370 C CYS A 87 7.085 5.083 -28.277 1.00 32.31 C ATOM 1371 O CYS A 87 7.439 4.833 -29.430 1.00 0.44 O ATOM 1372 CB CYS A 87 8.013 4.146 -26.151 1.00 64.04 C ATOM 1373 SG CYS A 87 9.002 2.691 -26.569 1.00 70.21 S ATOM 0 H CYS A 87 7.717 6.507 -25.515 1.00 2.41 H new ATOM 0 HA CYS A 87 9.108 5.273 -27.618 1.00 24.34 H new ATOM 0 HB2 CYS A 87 8.327 4.518 -25.176 1.00 64.04 H new ATOM 0 HB3 CYS A 87 6.969 3.848 -26.058 1.00 64.04 H new ATOM 0 HG CYS A 87 8.853 1.786 -25.648 1.00 70.21 H new ATOM 1379 N ILE A 88 5.810 5.192 -27.919 1.00 11.21 N ATOM 1380 CA ILE A 88 4.729 5.023 -28.882 1.00 62.23 C ATOM 1381 C ILE A 88 4.521 6.291 -29.703 1.00 72.23 C ATOM 1382 O ILE A 88 4.109 6.232 -30.863 1.00 3.42 O ATOM 1383 CB ILE A 88 3.407 4.653 -28.185 1.00 74.23 C ATOM 1384 CG1 ILE A 88 2.959 5.785 -27.259 1.00 11.12 C ATOM 1385 CG2 ILE A 88 3.563 3.355 -27.407 1.00 70.22 C ATOM 1386 CD1 ILE A 88 1.984 6.745 -27.905 1.00 31.44 C ATOM 0 H ILE A 88 5.500 5.397 -26.969 1.00 11.21 H new ATOM 0 HA ILE A 88 5.021 4.208 -29.544 1.00 62.23 H new ATOM 0 HB ILE A 88 2.641 4.507 -28.946 1.00 74.23 H new ATOM 0 HG12 ILE A 88 2.498 5.355 -26.370 1.00 11.12 H new ATOM 0 HG13 ILE A 88 3.836 6.340 -26.926 1.00 11.12 H new ATOM 0 HG21 ILE A 88 2.620 3.107 -26.920 1.00 70.22 H new ATOM 0 HG22 ILE A 88 3.841 2.552 -28.090 1.00 70.22 H new ATOM 0 HG23 ILE A 88 4.341 3.474 -26.652 1.00 70.22 H new ATOM 0 HD11 ILE A 88 1.710 7.521 -27.190 1.00 31.44 H new ATOM 0 HD12 ILE A 88 2.449 7.203 -28.778 1.00 31.44 H new ATOM 0 HD13 ILE A 88 1.090 6.203 -28.213 1.00 31.44 H new ATOM 1398 N LEU A 89 4.809 7.436 -29.096 1.00 1.35 N ATOM 1399 CA LEU A 89 4.655 8.720 -29.771 1.00 4.44 C ATOM 1400 C LEU A 89 5.727 8.905 -30.840 1.00 3.21 C ATOM 1401 O LEU A 89 5.436 8.884 -32.036 1.00 21.20 O ATOM 1402 CB LEU A 89 4.728 9.864 -28.757 1.00 32.31 C ATOM 1403 CG LEU A 89 4.795 11.275 -29.341 1.00 0.32 C ATOM 1404 CD1 LEU A 89 3.647 12.125 -28.817 1.00 65.22 C ATOM 1405 CD2 LEU A 89 6.133 11.924 -29.016 1.00 33.23 C ATOM 0 H LEU A 89 5.151 7.502 -28.137 1.00 1.35 H new ATOM 0 HA LEU A 89 3.678 8.733 -30.255 1.00 4.44 H new ATOM 0 HB2 LEU A 89 3.855 9.803 -28.107 1.00 32.31 H new ATOM 0 HB3 LEU A 89 5.605 9.710 -28.129 1.00 32.31 H new ATOM 0 HG LEU A 89 4.702 11.204 -30.425 1.00 0.32 H new ATOM 0 HD11 LEU A 89 3.711 13.126 -29.244 1.00 65.22 H new ATOM 0 HD12 LEU A 89 2.698 11.670 -29.101 1.00 65.22 H new ATOM 0 HD13 LEU A 89 3.708 12.189 -27.731 1.00 65.22 H new ATOM 0 HD21 LEU A 89 6.163 12.928 -29.440 1.00 33.23 H new ATOM 0 HD22 LEU A 89 6.256 11.983 -27.935 1.00 33.23 H new ATOM 0 HD23 LEU A 89 6.940 11.327 -29.441 1.00 33.23 H new ATOM 1417 N PHE A 90 6.969 9.084 -30.401 1.00 52.41 N ATOM 1418 CA PHE A 90 8.085 9.271 -31.321 1.00 1.54 C ATOM 1419 C PHE A 90 8.134 8.148 -32.352 1.00 42.22 C ATOM 1420 O PHE A 90 8.018 8.389 -33.553 1.00 33.50 O ATOM 1421 CB PHE A 90 9.405 9.328 -30.549 1.00 1.52 C ATOM 1422 CG PHE A 90 10.573 9.760 -31.389 1.00 72.54 C ATOM 1423 CD1 PHE A 90 10.510 10.921 -32.143 1.00 32.32 C ATOM 1424 CD2 PHE A 90 11.734 9.004 -31.426 1.00 14.03 C ATOM 1425 CE1 PHE A 90 11.583 11.319 -32.918 1.00 14.03 C ATOM 1426 CE2 PHE A 90 12.810 9.398 -32.198 1.00 70.45 C ATOM 1427 CZ PHE A 90 12.735 10.557 -32.945 1.00 15.34 C ATOM 0 H PHE A 90 7.228 9.103 -29.415 1.00 52.41 H new ATOM 0 HA PHE A 90 7.937 10.215 -31.845 1.00 1.54 H new ATOM 0 HB2 PHE A 90 9.297 10.016 -29.710 1.00 1.52 H new ATOM 0 HB3 PHE A 90 9.614 8.344 -30.129 1.00 1.52 H new ATOM 0 HD1 PHE A 90 9.613 11.521 -32.125 1.00 32.32 H new ATOM 0 HD2 PHE A 90 11.798 8.096 -30.845 1.00 14.03 H new ATOM 0 HE1 PHE A 90 11.521 12.225 -33.502 1.00 14.03 H new ATOM 0 HE2 PHE A 90 13.709 8.800 -32.217 1.00 70.45 H new ATOM 0 HZ PHE A 90 13.575 10.867 -33.549 1.00 15.34 H new ATOM 1437 N ASN A 91 8.308 6.921 -31.873 1.00 62.55 N ATOM 1438 CA ASN A 91 8.374 5.759 -32.753 1.00 41.34 C ATOM 1439 C ASN A 91 8.595 4.481 -31.951 1.00 72.40 C ATOM 1440 O ASN A 91 9.670 4.262 -31.395 1.00 64.13 O ATOM 1441 CB ASN A 91 9.498 5.933 -33.777 1.00 74.55 C ATOM 1442 CG ASN A 91 9.005 5.793 -35.205 1.00 42.50 C ATOM 1443 OD1 ASN A 91 9.191 6.690 -36.028 1.00 3.22 O ATOM 1444 ND2 ASN A 91 8.373 4.665 -35.505 1.00 54.13 N ATOM 0 H ASN A 91 8.406 6.705 -30.881 1.00 62.55 H new ATOM 0 HA ASN A 91 7.422 5.677 -33.278 1.00 41.34 H new ATOM 0 HB2 ASN A 91 9.955 6.914 -33.648 1.00 74.55 H new ATOM 0 HB3 ASN A 91 10.275 5.192 -33.589 1.00 74.55 H new ATOM 0 HD21 ASN A 91 8.019 4.515 -36.450 1.00 54.13 H new ATOM 0 HD22 ASN A 91 8.241 3.949 -34.791 1.00 54.13 H new ATOM 1451 N GLY A 92 7.568 3.638 -31.896 1.00 14.11 N ATOM 1452 CA GLY A 92 7.669 2.391 -31.160 1.00 4.40 C ATOM 1453 C GLY A 92 6.557 1.422 -31.506 1.00 20.52 C ATOM 1454 O GLY A 92 6.790 0.408 -32.163 1.00 64.13 O ATOM 0 H GLY A 92 6.668 3.797 -32.348 1.00 14.11 H new ATOM 0 HA2 GLY A 92 8.631 1.925 -31.371 1.00 4.40 H new ATOM 0 HA3 GLY A 92 7.644 2.601 -30.091 1.00 4.40 H new ATOM 1458 N ALA A 93 5.344 1.732 -31.060 1.00 71.34 N ATOM 1459 CA ALA A 93 4.191 0.880 -31.327 1.00 4.11 C ATOM 1460 C ALA A 93 3.405 1.382 -32.533 1.00 62.13 C ATOM 1461 O ALA A 93 3.439 0.775 -33.603 1.00 43.22 O ATOM 1462 CB ALA A 93 3.293 0.809 -30.101 1.00 52.31 C ATOM 0 H ALA A 93 5.134 2.567 -30.512 1.00 71.34 H new ATOM 0 HA ALA A 93 4.555 -0.122 -31.556 1.00 4.11 H new ATOM 0 HB1 ALA A 93 2.436 0.170 -30.314 1.00 52.31 H new ATOM 0 HB2 ALA A 93 3.854 0.396 -29.263 1.00 52.31 H new ATOM 0 HB3 ALA A 93 2.945 1.810 -29.847 1.00 52.31 H new ATOM 1468 N GLU A 94 2.698 2.493 -32.352 1.00 74.34 N ATOM 1469 CA GLU A 94 1.902 3.074 -33.427 1.00 52.10 C ATOM 1470 C GLU A 94 0.858 2.081 -33.930 1.00 23.31 C ATOM 1471 O GLU A 94 0.335 2.219 -35.035 1.00 2.32 O ATOM 1472 CB GLU A 94 2.805 3.510 -34.582 1.00 43.13 C ATOM 1473 CG GLU A 94 2.426 4.856 -35.177 1.00 3.10 C ATOM 1474 CD GLU A 94 3.182 6.008 -34.543 1.00 31.42 C ATOM 1475 OE1 GLU A 94 2.785 6.444 -33.442 1.00 41.03 O ATOM 1476 OE2 GLU A 94 4.171 6.472 -35.148 1.00 11.22 O ATOM 0 H GLU A 94 2.660 3.008 -31.472 1.00 74.34 H new ATOM 0 HA GLU A 94 1.385 3.948 -33.030 1.00 52.10 H new ATOM 0 HB2 GLU A 94 3.835 3.555 -34.229 1.00 43.13 H new ATOM 0 HB3 GLU A 94 2.769 2.753 -35.365 1.00 43.13 H new ATOM 0 HG2 GLU A 94 2.623 4.843 -36.249 1.00 3.10 H new ATOM 0 HG3 GLU A 94 1.355 5.016 -35.051 1.00 3.10 H new ATOM 1483 N GLY A 95 0.561 1.077 -33.110 1.00 0.34 N ATOM 1484 CA GLY A 95 -0.417 0.075 -33.488 1.00 75.31 C ATOM 1485 C GLY A 95 -0.456 -1.092 -32.521 1.00 51.10 C ATOM 1486 O GLY A 95 -1.492 -1.736 -32.356 1.00 65.24 O ATOM 0 H GLY A 95 0.981 0.940 -32.191 1.00 0.34 H new ATOM 0 HA2 GLY A 95 -1.404 0.535 -33.537 1.00 75.31 H new ATOM 0 HA3 GLY A 95 -0.187 -0.293 -34.488 1.00 75.31 H new ATOM 1490 N ALA A 96 0.676 -1.365 -31.881 1.00 31.42 N ATOM 1491 CA ALA A 96 0.767 -2.462 -30.925 1.00 21.10 C ATOM 1492 C ALA A 96 1.134 -1.951 -29.536 1.00 14.31 C ATOM 1493 O ALA A 96 2.160 -2.333 -28.974 1.00 3.20 O ATOM 1494 CB ALA A 96 1.785 -3.490 -31.397 1.00 1.04 C ATOM 0 H ALA A 96 1.543 -0.842 -32.007 1.00 31.42 H new ATOM 0 HA ALA A 96 -0.212 -2.938 -30.862 1.00 21.10 H new ATOM 0 HB1 ALA A 96 1.843 -4.303 -30.674 1.00 1.04 H new ATOM 0 HB2 ALA A 96 1.480 -3.886 -32.365 1.00 1.04 H new ATOM 0 HB3 ALA A 96 2.763 -3.017 -31.490 1.00 1.04 H new ATOM 1500 N TYR A 97 0.289 -1.085 -28.988 1.00 13.42 N ATOM 1501 CA TYR A 97 0.526 -0.518 -27.665 1.00 73.23 C ATOM 1502 C TYR A 97 0.791 -1.618 -26.641 1.00 50.34 C ATOM 1503 O TYR A 97 1.505 -1.409 -25.661 1.00 62.32 O ATOM 1504 CB TYR A 97 -0.673 0.325 -27.226 1.00 63.31 C ATOM 1505 CG TYR A 97 -1.898 -0.495 -26.887 1.00 44.54 C ATOM 1506 CD1 TYR A 97 -2.725 -0.990 -27.888 1.00 23.24 C ATOM 1507 CD2 TYR A 97 -2.227 -0.774 -25.567 1.00 11.33 C ATOM 1508 CE1 TYR A 97 -3.845 -1.738 -27.583 1.00 32.35 C ATOM 1509 CE2 TYR A 97 -3.345 -1.522 -25.252 1.00 62.33 C ATOM 1510 CZ TYR A 97 -4.151 -2.002 -26.264 1.00 1.14 C ATOM 1511 OH TYR A 97 -5.265 -2.748 -25.956 1.00 33.14 O ATOM 0 H TYR A 97 -0.566 -0.760 -29.439 1.00 13.42 H new ATOM 0 HA TYR A 97 1.408 0.120 -27.723 1.00 73.23 H new ATOM 0 HB2 TYR A 97 -0.391 0.918 -26.356 1.00 63.31 H new ATOM 0 HB3 TYR A 97 -0.924 1.026 -28.022 1.00 63.31 H new ATOM 0 HD1 TYR A 97 -2.488 -0.786 -28.922 1.00 23.24 H new ATOM 0 HD2 TYR A 97 -1.598 -0.400 -24.773 1.00 11.33 H new ATOM 0 HE1 TYR A 97 -4.478 -2.114 -28.373 1.00 32.35 H new ATOM 0 HE2 TYR A 97 -3.587 -1.730 -24.220 1.00 62.33 H new ATOM 0 HH TYR A 97 -5.336 -2.843 -24.983 1.00 33.14 H new ATOM 1521 N ALA A 98 0.210 -2.790 -26.877 1.00 42.45 N ATOM 1522 CA ALA A 98 0.385 -3.924 -25.979 1.00 0.44 C ATOM 1523 C ALA A 98 1.863 -4.234 -25.767 1.00 10.30 C ATOM 1524 O ALA A 98 2.253 -4.763 -24.726 1.00 2.30 O ATOM 1525 CB ALA A 98 -0.340 -5.145 -26.523 1.00 61.42 C ATOM 0 H ALA A 98 -0.386 -2.978 -27.683 1.00 42.45 H new ATOM 0 HA ALA A 98 -0.046 -3.660 -25.013 1.00 0.44 H new ATOM 0 HB1 ALA A 98 -0.201 -5.984 -25.842 1.00 61.42 H new ATOM 0 HB2 ALA A 98 -1.404 -4.925 -26.615 1.00 61.42 H new ATOM 0 HB3 ALA A 98 0.064 -5.402 -27.502 1.00 61.42 H new ATOM 1531 N ASP A 99 2.680 -3.902 -26.760 1.00 62.23 N ATOM 1532 CA ASP A 99 4.116 -4.145 -26.683 1.00 21.14 C ATOM 1533 C ASP A 99 4.748 -3.314 -25.571 1.00 24.04 C ATOM 1534 O ASP A 99 5.648 -3.778 -24.871 1.00 2.22 O ATOM 1535 CB ASP A 99 4.783 -3.821 -28.020 1.00 71.35 C ATOM 1536 CG ASP A 99 4.597 -4.925 -29.042 1.00 75.55 C ATOM 1537 OD1 ASP A 99 4.763 -6.108 -28.676 1.00 40.11 O ATOM 1538 OD2 ASP A 99 4.283 -4.607 -30.209 1.00 23.35 O ATOM 0 H ASP A 99 2.373 -3.464 -27.628 1.00 62.23 H new ATOM 0 HA ASP A 99 4.269 -5.200 -26.456 1.00 21.14 H new ATOM 0 HB2 ASP A 99 4.370 -2.892 -28.413 1.00 71.35 H new ATOM 0 HB3 ASP A 99 5.848 -3.653 -27.860 1.00 71.35 H new ATOM 1543 N ALA A 100 4.272 -2.083 -25.415 1.00 21.21 N ATOM 1544 CA ALA A 100 4.790 -1.188 -24.388 1.00 10.12 C ATOM 1545 C ALA A 100 4.182 -1.505 -23.026 1.00 10.12 C ATOM 1546 O ALA A 100 4.757 -1.179 -21.988 1.00 24.52 O ATOM 1547 CB ALA A 100 4.519 0.261 -24.765 1.00 35.01 C ATOM 0 H ALA A 100 3.528 -1.683 -25.987 1.00 21.21 H new ATOM 0 HA ALA A 100 5.867 -1.339 -24.320 1.00 10.12 H new ATOM 0 HB1 ALA A 100 4.911 0.918 -23.989 1.00 35.01 H new ATOM 0 HB2 ALA A 100 5.007 0.488 -25.713 1.00 35.01 H new ATOM 0 HB3 ALA A 100 3.445 0.417 -24.863 1.00 35.01 H new ATOM 1553 N ALA A 101 3.015 -2.141 -23.037 1.00 42.04 N ATOM 1554 CA ALA A 101 2.330 -2.503 -21.803 1.00 1.23 C ATOM 1555 C ALA A 101 3.055 -3.636 -21.084 1.00 50.05 C ATOM 1556 O ALA A 101 3.028 -3.723 -19.857 1.00 32.22 O ATOM 1557 CB ALA A 101 0.890 -2.896 -22.094 1.00 74.33 C ATOM 0 H ALA A 101 2.524 -2.416 -23.888 1.00 42.04 H new ATOM 0 HA ALA A 101 2.332 -1.632 -21.147 1.00 1.23 H new ATOM 0 HB1 ALA A 101 0.391 -3.164 -21.163 1.00 74.33 H new ATOM 0 HB2 ALA A 101 0.370 -2.057 -22.556 1.00 74.33 H new ATOM 0 HB3 ALA A 101 0.876 -3.749 -22.772 1.00 74.33 H new ATOM 1563 N ARG A 102 3.702 -4.502 -21.857 1.00 72.25 N ATOM 1564 CA ARG A 102 4.432 -5.631 -21.294 1.00 64.34 C ATOM 1565 C ARG A 102 5.551 -5.151 -20.375 1.00 44.20 C ATOM 1566 O ARG A 102 5.655 -5.582 -19.226 1.00 71.21 O ATOM 1567 CB ARG A 102 5.014 -6.499 -22.412 1.00 55.34 C ATOM 1568 CG ARG A 102 5.067 -7.979 -22.070 1.00 3.43 C ATOM 1569 CD ARG A 102 6.500 -8.483 -22.003 1.00 63.21 C ATOM 1570 NE ARG A 102 7.007 -8.868 -23.318 1.00 12.32 N ATOM 1571 CZ ARG A 102 8.293 -9.077 -23.578 1.00 13.34 C ATOM 1572 NH1 ARG A 102 9.197 -8.939 -22.618 1.00 21.41 N ATOM 1573 NH2 ARG A 102 8.676 -9.424 -24.799 1.00 71.35 N ATOM 0 H ARG A 102 3.735 -4.443 -22.875 1.00 72.25 H new ATOM 0 HA ARG A 102 3.733 -6.227 -20.707 1.00 64.34 H new ATOM 0 HB2 ARG A 102 4.416 -6.364 -23.313 1.00 55.34 H new ATOM 0 HB3 ARG A 102 6.021 -6.152 -22.643 1.00 55.34 H new ATOM 0 HG2 ARG A 102 4.574 -8.150 -21.113 1.00 3.43 H new ATOM 0 HG3 ARG A 102 4.515 -8.547 -22.819 1.00 3.43 H new ATOM 0 HD2 ARG A 102 7.138 -7.706 -21.582 1.00 63.21 H new ATOM 0 HD3 ARG A 102 6.552 -9.339 -21.330 1.00 63.21 H new ATOM 0 HE ARG A 102 6.337 -8.983 -24.078 1.00 12.32 H new ATOM 0 HH11 ARG A 102 8.906 -8.672 -21.678 1.00 21.41 H new ATOM 0 HH12 ARG A 102 10.184 -9.100 -22.820 1.00 21.41 H new ATOM 0 HH21 ARG A 102 7.983 -9.531 -25.540 1.00 71.35 H new ATOM 0 HH22 ARG A 102 9.664 -9.584 -24.997 1.00 71.35 H new ATOM 1587 N THR A 103 6.389 -4.255 -20.888 1.00 54.35 N ATOM 1588 CA THR A 103 7.501 -3.717 -20.115 1.00 53.33 C ATOM 1589 C THR A 103 7.002 -2.922 -18.914 1.00 34.11 C ATOM 1590 O THR A 103 7.625 -2.926 -17.852 1.00 72.01 O ATOM 1591 CB THR A 103 8.399 -2.811 -20.979 1.00 12.45 C ATOM 1592 OG1 THR A 103 9.433 -2.235 -20.172 1.00 52.25 O ATOM 1593 CG2 THR A 103 7.583 -1.705 -21.632 1.00 64.21 C ATOM 0 H THR A 103 6.318 -3.887 -21.837 1.00 54.35 H new ATOM 0 HA THR A 103 8.085 -4.569 -19.766 1.00 53.33 H new ATOM 0 HB THR A 103 8.847 -3.421 -21.763 1.00 12.45 H new ATOM 0 HG1 THR A 103 10.001 -1.662 -20.728 1.00 52.25 H new ATOM 0 HG21 THR A 103 8.238 -1.078 -22.237 1.00 64.21 H new ATOM 0 HG22 THR A 103 6.815 -2.146 -22.267 1.00 64.21 H new ATOM 0 HG23 THR A 103 7.111 -1.097 -20.860 1.00 64.21 H new ATOM 1601 N PHE A 104 5.874 -2.242 -19.088 1.00 14.42 N ATOM 1602 CA PHE A 104 5.291 -1.441 -18.017 1.00 34.50 C ATOM 1603 C PHE A 104 4.922 -2.317 -16.823 1.00 32.01 C ATOM 1604 O PHE A 104 5.299 -2.027 -15.688 1.00 54.21 O ATOM 1605 CB PHE A 104 4.051 -0.700 -18.522 1.00 62.13 C ATOM 1606 CG PHE A 104 3.350 0.092 -17.456 1.00 21.11 C ATOM 1607 CD1 PHE A 104 3.777 1.369 -17.129 1.00 62.21 C ATOM 1608 CD2 PHE A 104 2.264 -0.441 -16.780 1.00 3.21 C ATOM 1609 CE1 PHE A 104 3.134 2.101 -16.149 1.00 21.54 C ATOM 1610 CE2 PHE A 104 1.617 0.286 -15.799 1.00 10.31 C ATOM 1611 CZ PHE A 104 2.053 1.558 -15.482 1.00 22.01 C ATOM 0 H PHE A 104 5.345 -2.229 -19.960 1.00 14.42 H new ATOM 0 HA PHE A 104 6.035 -0.712 -17.696 1.00 34.50 H new ATOM 0 HB2 PHE A 104 4.343 -0.029 -19.330 1.00 62.13 H new ATOM 0 HB3 PHE A 104 3.353 -1.423 -18.945 1.00 62.13 H new ATOM 0 HD1 PHE A 104 4.623 1.797 -17.646 1.00 62.21 H new ATOM 0 HD2 PHE A 104 1.920 -1.435 -17.023 1.00 3.21 H new ATOM 0 HE1 PHE A 104 3.476 3.096 -15.905 1.00 21.54 H new ATOM 0 HE2 PHE A 104 0.771 -0.140 -15.280 1.00 10.31 H new ATOM 0 HZ PHE A 104 1.550 2.127 -14.714 1.00 22.01 H new ATOM 1621 N GLU A 105 4.182 -3.389 -17.089 1.00 30.12 N ATOM 1622 CA GLU A 105 3.761 -4.306 -16.036 1.00 71.01 C ATOM 1623 C GLU A 105 4.960 -4.793 -15.227 1.00 72.45 C ATOM 1624 O GLU A 105 4.908 -4.865 -13.999 1.00 54.14 O ATOM 1625 CB GLU A 105 3.017 -5.501 -16.637 1.00 45.20 C ATOM 1626 CG GLU A 105 1.537 -5.246 -16.862 1.00 53.42 C ATOM 1627 CD GLU A 105 0.813 -6.458 -17.415 1.00 62.12 C ATOM 1628 OE1 GLU A 105 1.391 -7.152 -18.278 1.00 55.21 O ATOM 1629 OE2 GLU A 105 -0.331 -6.713 -16.984 1.00 60.12 O ATOM 0 H GLU A 105 3.862 -3.644 -18.023 1.00 30.12 H new ATOM 0 HA GLU A 105 3.089 -3.768 -15.368 1.00 71.01 H new ATOM 0 HB2 GLU A 105 3.480 -5.766 -17.588 1.00 45.20 H new ATOM 0 HB3 GLU A 105 3.133 -6.360 -15.976 1.00 45.20 H new ATOM 0 HG2 GLU A 105 1.076 -4.951 -15.920 1.00 53.42 H new ATOM 0 HG3 GLU A 105 1.417 -4.410 -17.551 1.00 53.42 H new ATOM 1636 N LYS A 106 6.040 -5.128 -15.925 1.00 73.52 N ATOM 1637 CA LYS A 106 7.253 -5.609 -15.275 1.00 0.33 C ATOM 1638 C LYS A 106 7.706 -4.641 -14.186 1.00 20.21 C ATOM 1639 O LYS A 106 7.964 -5.044 -13.052 1.00 21.35 O ATOM 1640 CB LYS A 106 8.370 -5.793 -16.305 1.00 32.24 C ATOM 1641 CG LYS A 106 9.541 -6.612 -15.791 1.00 65.12 C ATOM 1642 CD LYS A 106 9.233 -8.100 -15.811 1.00 1.13 C ATOM 1643 CE LYS A 106 9.153 -8.671 -14.403 1.00 63.03 C ATOM 1644 NZ LYS A 106 9.691 -10.058 -14.336 1.00 61.13 N ATOM 0 H LYS A 106 6.100 -5.075 -16.942 1.00 73.52 H new ATOM 0 HA LYS A 106 7.031 -6.571 -14.813 1.00 0.33 H new ATOM 0 HB2 LYS A 106 7.960 -6.277 -17.191 1.00 32.24 H new ATOM 0 HB3 LYS A 106 8.731 -4.813 -16.616 1.00 32.24 H new ATOM 0 HG2 LYS A 106 10.421 -6.414 -16.403 1.00 65.12 H new ATOM 0 HG3 LYS A 106 9.783 -6.303 -14.774 1.00 65.12 H new ATOM 0 HD2 LYS A 106 8.289 -8.270 -16.328 1.00 1.13 H new ATOM 0 HD3 LYS A 106 10.004 -8.625 -16.375 1.00 1.13 H new ATOM 0 HE2 LYS A 106 9.711 -8.031 -13.719 1.00 63.03 H new ATOM 0 HE3 LYS A 106 8.116 -8.667 -14.068 1.00 63.03 H new ATOM 0 HZ1 LYS A 106 9.619 -10.412 -13.361 1.00 61.13 H new ATOM 0 HZ2 LYS A 106 9.142 -10.674 -14.969 1.00 61.13 H new ATOM 0 HZ3 LYS A 106 10.688 -10.058 -14.631 1.00 61.13 H new ATOM 1658 N PHE A 107 7.799 -3.363 -14.538 1.00 23.23 N ATOM 1659 CA PHE A 107 8.221 -2.338 -13.590 1.00 34.10 C ATOM 1660 C PHE A 107 7.391 -2.406 -12.311 1.00 2.00 C ATOM 1661 O PHE A 107 7.929 -2.342 -11.206 1.00 13.41 O ATOM 1662 CB PHE A 107 8.095 -0.949 -14.219 1.00 62.14 C ATOM 1663 CG PHE A 107 9.382 -0.435 -14.799 1.00 60.32 C ATOM 1664 CD1 PHE A 107 9.810 -0.854 -16.049 1.00 10.52 C ATOM 1665 CD2 PHE A 107 10.164 0.465 -14.094 1.00 50.52 C ATOM 1666 CE1 PHE A 107 10.993 -0.382 -16.585 1.00 65.45 C ATOM 1667 CE2 PHE A 107 11.348 0.940 -14.626 1.00 0.32 C ATOM 1668 CZ PHE A 107 11.764 0.515 -15.872 1.00 71.04 C ATOM 0 H PHE A 107 7.588 -3.012 -15.472 1.00 23.23 H new ATOM 0 HA PHE A 107 9.265 -2.521 -13.336 1.00 34.10 H new ATOM 0 HB2 PHE A 107 7.339 -0.981 -15.004 1.00 62.14 H new ATOM 0 HB3 PHE A 107 7.740 -0.248 -13.464 1.00 62.14 H new ATOM 0 HD1 PHE A 107 9.212 -1.557 -16.610 1.00 10.52 H new ATOM 0 HD2 PHE A 107 9.845 0.799 -13.118 1.00 50.52 H new ATOM 0 HE1 PHE A 107 11.315 -0.714 -17.561 1.00 65.45 H new ATOM 0 HE2 PHE A 107 11.948 1.643 -14.067 1.00 0.32 H new ATOM 0 HZ PHE A 107 12.690 0.883 -16.288 1.00 71.04 H new ATOM 1678 N ALA A 108 6.078 -2.536 -12.471 1.00 2.14 N ATOM 1679 CA ALA A 108 5.174 -2.614 -11.330 1.00 1.01 C ATOM 1680 C ALA A 108 5.490 -3.827 -10.461 1.00 75.04 C ATOM 1681 O ALA A 108 5.494 -3.739 -9.234 1.00 3.20 O ATOM 1682 CB ALA A 108 3.729 -2.663 -11.804 1.00 62.31 C ATOM 0 H ALA A 108 5.617 -2.589 -13.379 1.00 2.14 H new ATOM 0 HA ALA A 108 5.315 -1.719 -10.724 1.00 1.01 H new ATOM 0 HB1 ALA A 108 3.065 -2.721 -10.942 1.00 62.31 H new ATOM 0 HB2 ALA A 108 3.503 -1.763 -12.376 1.00 62.31 H new ATOM 0 HB3 ALA A 108 3.582 -3.540 -12.434 1.00 62.31 H new ATOM 1688 N MET A 109 5.752 -4.959 -11.107 1.00 12.13 N ATOM 1689 CA MET A 109 6.069 -6.190 -10.392 1.00 12.21 C ATOM 1690 C MET A 109 7.308 -6.009 -9.521 1.00 63.34 C ATOM 1691 O MET A 109 7.323 -6.403 -8.356 1.00 12.41 O ATOM 1692 CB MET A 109 6.288 -7.337 -11.380 1.00 40.23 C ATOM 1693 CG MET A 109 5.807 -8.684 -10.865 1.00 4.43 C ATOM 1694 SD MET A 109 6.002 -10.002 -12.079 1.00 42.02 S ATOM 1695 CE MET A 109 5.607 -11.439 -11.086 1.00 11.25 C ATOM 0 H MET A 109 5.751 -5.049 -12.123 1.00 12.13 H new ATOM 0 HA MET A 109 5.225 -6.433 -9.746 1.00 12.21 H new ATOM 0 HB2 MET A 109 5.770 -7.107 -12.311 1.00 40.23 H new ATOM 0 HB3 MET A 109 7.350 -7.405 -11.615 1.00 40.23 H new ATOM 0 HG2 MET A 109 6.361 -8.942 -9.962 1.00 4.43 H new ATOM 0 HG3 MET A 109 4.757 -8.607 -10.584 1.00 4.43 H new ATOM 0 HE1 MET A 109 5.684 -12.337 -11.699 1.00 11.25 H new ATOM 0 HE2 MET A 109 6.305 -11.508 -10.252 1.00 11.25 H new ATOM 0 HE3 MET A 109 4.591 -11.348 -10.702 1.00 11.25 H new ATOM 1705 N GLY A 110 8.348 -5.412 -10.096 1.00 51.31 N ATOM 1706 CA GLY A 110 9.578 -5.190 -9.358 1.00 34.31 C ATOM 1707 C GLY A 110 9.363 -4.355 -8.111 1.00 40.03 C ATOM 1708 O GLY A 110 10.041 -4.547 -7.102 1.00 2.53 O ATOM 0 H GLY A 110 8.361 -5.078 -11.060 1.00 51.31 H new ATOM 0 HA2 GLY A 110 10.009 -6.151 -9.078 1.00 34.31 H new ATOM 0 HA3 GLY A 110 10.301 -4.693 -10.004 1.00 34.31 H new ATOM 1712 N LYS A 111 8.418 -3.424 -8.181 1.00 11.44 N ATOM 1713 CA LYS A 111 8.115 -2.555 -7.050 1.00 1.53 C ATOM 1714 C LYS A 111 7.569 -3.360 -5.875 1.00 72.23 C ATOM 1715 O LYS A 111 7.962 -3.147 -4.728 1.00 63.11 O ATOM 1716 CB LYS A 111 7.104 -1.482 -7.461 1.00 34.23 C ATOM 1717 CG LYS A 111 7.309 -0.151 -6.758 1.00 60.23 C ATOM 1718 CD LYS A 111 6.145 0.180 -5.839 1.00 61.23 C ATOM 1719 CE LYS A 111 5.144 1.102 -6.518 1.00 73.30 C ATOM 1720 NZ LYS A 111 4.694 0.562 -7.831 1.00 30.41 N ATOM 0 H LYS A 111 7.848 -3.252 -9.009 1.00 11.44 H new ATOM 0 HA LYS A 111 9.041 -2.072 -6.737 1.00 1.53 H new ATOM 0 HB2 LYS A 111 7.168 -1.328 -8.538 1.00 34.23 H new ATOM 0 HB3 LYS A 111 6.098 -1.843 -7.250 1.00 34.23 H new ATOM 0 HG2 LYS A 111 8.233 -0.182 -6.180 1.00 60.23 H new ATOM 0 HG3 LYS A 111 7.424 0.639 -7.500 1.00 60.23 H new ATOM 0 HD2 LYS A 111 5.646 -0.741 -5.536 1.00 61.23 H new ATOM 0 HD3 LYS A 111 6.520 0.653 -4.931 1.00 61.23 H new ATOM 0 HE2 LYS A 111 4.280 1.242 -5.868 1.00 73.30 H new ATOM 0 HE3 LYS A 111 5.595 2.083 -6.664 1.00 73.30 H new ATOM 0 HZ1 LYS A 111 3.872 1.104 -8.166 1.00 30.41 H new ATOM 0 HZ2 LYS A 111 5.467 0.642 -8.522 1.00 30.41 H new ATOM 0 HZ3 LYS A 111 4.428 -0.438 -7.723 1.00 30.41 H new ATOM 1734 N ILE A 112 6.662 -4.286 -6.170 1.00 23.04 N ATOM 1735 CA ILE A 112 6.065 -5.125 -5.138 1.00 0.30 C ATOM 1736 C ILE A 112 7.130 -5.921 -4.392 1.00 2.34 C ATOM 1737 O ILE A 112 7.057 -6.085 -3.174 1.00 23.23 O ATOM 1738 CB ILE A 112 5.034 -6.101 -5.734 1.00 32.34 C ATOM 1739 CG1 ILE A 112 3.928 -5.331 -6.458 1.00 1.42 C ATOM 1740 CG2 ILE A 112 4.445 -6.981 -4.641 1.00 62.40 C ATOM 1741 CD1 ILE A 112 3.580 -5.904 -7.814 1.00 21.35 C ATOM 0 H ILE A 112 6.325 -4.474 -7.114 1.00 23.04 H new ATOM 0 HA ILE A 112 5.560 -4.457 -4.441 1.00 0.30 H new ATOM 0 HB ILE A 112 5.538 -6.741 -6.458 1.00 32.34 H new ATOM 0 HG12 ILE A 112 3.034 -5.324 -5.835 1.00 1.42 H new ATOM 0 HG13 ILE A 112 4.239 -4.293 -6.580 1.00 1.42 H new ATOM 0 HG21 ILE A 112 3.718 -7.666 -5.078 1.00 62.40 H new ATOM 0 HG22 ILE A 112 5.242 -7.553 -4.165 1.00 62.40 H new ATOM 0 HG23 ILE A 112 3.953 -6.356 -3.896 1.00 62.40 H new ATOM 0 HD11 ILE A 112 2.789 -5.308 -8.269 1.00 21.35 H new ATOM 0 HD12 ILE A 112 4.462 -5.885 -8.454 1.00 21.35 H new ATOM 0 HD13 ILE A 112 3.238 -6.932 -7.698 1.00 21.35 H new ATOM 1753 N ASP A 113 8.120 -6.411 -5.130 1.00 11.13 N ATOM 1754 CA ASP A 113 9.203 -7.188 -4.538 1.00 0.43 C ATOM 1755 C ASP A 113 9.964 -6.361 -3.506 1.00 14.32 C ATOM 1756 O ASP A 113 10.167 -6.798 -2.374 1.00 4.13 O ATOM 1757 CB ASP A 113 10.162 -7.677 -5.625 1.00 14.35 C ATOM 1758 CG ASP A 113 9.659 -8.926 -6.320 1.00 70.42 C ATOM 1759 OD1 ASP A 113 9.873 -10.033 -5.781 1.00 41.33 O ATOM 1760 OD2 ASP A 113 9.051 -8.798 -7.403 1.00 72.11 O ATOM 0 H ASP A 113 8.195 -6.284 -6.139 1.00 11.13 H new ATOM 0 HA ASP A 113 8.765 -8.051 -4.035 1.00 0.43 H new ATOM 0 HB2 ASP A 113 10.305 -6.887 -6.362 1.00 14.35 H new ATOM 0 HB3 ASP A 113 11.137 -7.879 -5.181 1.00 14.35 H new ATOM 1765 N ALA A 114 10.382 -5.164 -3.905 1.00 74.14 N ATOM 1766 CA ALA A 114 11.119 -4.276 -3.015 1.00 53.13 C ATOM 1767 C ALA A 114 10.274 -3.884 -1.808 1.00 30.02 C ATOM 1768 O ALA A 114 10.788 -3.742 -0.698 1.00 61.10 O ATOM 1769 CB ALA A 114 11.575 -3.035 -3.768 1.00 2.43 C ATOM 0 H ALA A 114 10.223 -4.787 -4.839 1.00 74.14 H new ATOM 0 HA ALA A 114 11.997 -4.811 -2.653 1.00 53.13 H new ATOM 0 HB1 ALA A 114 12.124 -2.380 -3.091 1.00 2.43 H new ATOM 0 HB2 ALA A 114 12.222 -3.328 -4.594 1.00 2.43 H new ATOM 0 HB3 ALA A 114 10.705 -2.506 -4.158 1.00 2.43 H new ATOM 1775 N TYR A 115 8.976 -3.710 -2.031 1.00 42.11 N ATOM 1776 CA TYR A 115 8.061 -3.331 -0.961 1.00 74.14 C ATOM 1777 C TYR A 115 8.198 -4.272 0.232 1.00 74.14 C ATOM 1778 O TYR A 115 8.391 -3.831 1.365 1.00 34.10 O ATOM 1779 CB TYR A 115 6.618 -3.340 -1.469 1.00 71.44 C ATOM 1780 CG TYR A 115 5.621 -2.798 -0.470 1.00 73.44 C ATOM 1781 CD1 TYR A 115 5.908 -1.668 0.284 1.00 11.05 C ATOM 1782 CD2 TYR A 115 4.391 -3.417 -0.282 1.00 55.42 C ATOM 1783 CE1 TYR A 115 5.000 -1.170 1.199 1.00 61.02 C ATOM 1784 CE2 TYR A 115 3.476 -2.925 0.629 1.00 51.31 C ATOM 1785 CZ TYR A 115 3.785 -1.802 1.367 1.00 5.43 C ATOM 1786 OH TYR A 115 2.878 -1.308 2.276 1.00 11.21 O ATOM 0 H TYR A 115 8.534 -3.825 -2.943 1.00 42.11 H new ATOM 0 HA TYR A 115 8.319 -2.323 -0.637 1.00 74.14 H new ATOM 0 HB2 TYR A 115 6.560 -2.750 -2.384 1.00 71.44 H new ATOM 0 HB3 TYR A 115 6.340 -4.361 -1.730 1.00 71.44 H new ATOM 0 HD1 TYR A 115 6.857 -1.170 0.153 1.00 11.05 H new ATOM 0 HD2 TYR A 115 4.146 -4.297 -0.858 1.00 55.42 H new ATOM 0 HE1 TYR A 115 5.240 -0.291 1.779 1.00 61.02 H new ATOM 0 HE2 TYR A 115 2.524 -3.417 0.762 1.00 51.31 H new ATOM 0 HH TYR A 115 2.265 -0.692 1.824 1.00 11.21 H new ATOM 1796 N ILE A 116 8.097 -5.570 -0.033 1.00 20.33 N ATOM 1797 CA ILE A 116 8.211 -6.574 1.018 1.00 63.42 C ATOM 1798 C ILE A 116 9.570 -6.497 1.706 1.00 33.35 C ATOM 1799 O ILE A 116 9.664 -6.599 2.930 1.00 54.14 O ATOM 1800 CB ILE A 116 8.010 -7.996 0.462 1.00 63.43 C ATOM 1801 CG1 ILE A 116 6.640 -8.117 -0.208 1.00 52.40 C ATOM 1802 CG2 ILE A 116 8.155 -9.025 1.573 1.00 32.12 C ATOM 1803 CD1 ILE A 116 6.488 -9.361 -1.055 1.00 2.21 C ATOM 0 H ILE A 116 7.937 -5.951 -0.965 1.00 20.33 H new ATOM 0 HA ILE A 116 7.426 -6.362 1.744 1.00 63.42 H new ATOM 0 HB ILE A 116 8.778 -8.188 -0.287 1.00 63.43 H new ATOM 0 HG12 ILE A 116 5.867 -8.114 0.561 1.00 52.40 H new ATOM 0 HG13 ILE A 116 6.471 -7.240 -0.832 1.00 52.40 H new ATOM 0 HG21 ILE A 116 8.010 -10.025 1.164 1.00 32.12 H new ATOM 0 HG22 ILE A 116 9.151 -8.952 2.009 1.00 32.12 H new ATOM 0 HG23 ILE A 116 7.407 -8.836 2.343 1.00 32.12 H new ATOM 0 HD11 ILE A 116 5.492 -9.380 -1.498 1.00 2.21 H new ATOM 0 HD12 ILE A 116 7.238 -9.356 -1.846 1.00 2.21 H new ATOM 0 HD13 ILE A 116 6.624 -10.245 -0.431 1.00 2.21 H new ATOM 1815 N SER A 117 10.620 -6.315 0.913 1.00 61.24 N ATOM 1816 CA SER A 117 11.975 -6.226 1.445 1.00 35.03 C ATOM 1817 C SER A 117 12.076 -5.119 2.490 1.00 14.12 C ATOM 1818 O SER A 117 12.864 -5.209 3.430 1.00 23.45 O ATOM 1819 CB SER A 117 12.974 -5.969 0.316 1.00 73.44 C ATOM 1820 OG SER A 117 13.978 -6.969 0.286 1.00 73.02 O ATOM 0 H SER A 117 10.559 -6.226 -0.101 1.00 61.24 H new ATOM 0 HA SER A 117 12.214 -7.176 1.922 1.00 35.03 H new ATOM 0 HB2 SER A 117 12.450 -5.947 -0.639 1.00 73.44 H new ATOM 0 HB3 SER A 117 13.435 -4.990 0.450 1.00 73.44 H new ATOM 0 HG SER A 117 14.603 -6.783 -0.445 1.00 73.02 H new ATOM 1826 N GLN A 118 11.271 -4.075 2.317 1.00 31.41 N ATOM 1827 CA GLN A 118 11.270 -2.950 3.244 1.00 31.03 C ATOM 1828 C GLN A 118 9.868 -2.693 3.787 1.00 51.23 C ATOM 1829 O GLN A 118 9.099 -1.923 3.210 1.00 31.41 O ATOM 1830 CB GLN A 118 11.801 -1.693 2.554 1.00 42.41 C ATOM 1831 CG GLN A 118 11.134 -1.404 1.219 1.00 51.40 C ATOM 1832 CD GLN A 118 12.127 -1.316 0.077 1.00 71.11 C ATOM 1833 OE1 GLN A 118 13.021 -2.294 -0.006 1.00 10.20 O flip ATOM 1834 NE2 GLN A 118 12.091 -0.380 -0.722 1.00 64.04 N flip ATOM 0 H GLN A 118 10.612 -3.985 1.544 1.00 31.41 H new ATOM 0 HA GLN A 118 11.923 -3.200 4.080 1.00 31.03 H new ATOM 0 HB2 GLN A 118 11.658 -0.838 3.215 1.00 42.41 H new ATOM 0 HB3 GLN A 118 12.875 -1.800 2.399 1.00 42.41 H new ATOM 0 HG2 GLN A 118 10.407 -2.187 1.004 1.00 51.40 H new ATOM 0 HG3 GLN A 118 10.582 -0.467 1.288 1.00 51.40 H new ATOM 0 HE21 GLN A 118 11.386 0.350 -0.620 1.00 64.04 H new ATOM 0 HE22 GLN A 118 12.766 -0.335 -1.486 1.00 64.04 H new ATOM 1843 N LYS A 119 9.541 -3.342 4.899 1.00 50.01 N ATOM 1844 CA LYS A 119 8.232 -3.184 5.521 1.00 12.30 C ATOM 1845 C LYS A 119 8.365 -2.624 6.934 1.00 73.32 C ATOM 1846 O LYS A 119 7.755 -1.609 7.270 1.00 2.11 O ATOM 1847 CB LYS A 119 7.497 -4.526 5.560 1.00 41.45 C ATOM 1848 CG LYS A 119 6.193 -4.483 6.337 1.00 22.14 C ATOM 1849 CD LYS A 119 5.569 -5.863 6.456 1.00 62.51 C ATOM 1850 CE LYS A 119 5.108 -6.147 7.877 1.00 3.34 C ATOM 1851 NZ LYS A 119 3.860 -6.958 7.904 1.00 13.35 N ATOM 0 H LYS A 119 10.165 -3.983 5.388 1.00 50.01 H new ATOM 0 HA LYS A 119 7.656 -2.479 4.922 1.00 12.30 H new ATOM 0 HB2 LYS A 119 7.291 -4.848 4.539 1.00 41.45 H new ATOM 0 HB3 LYS A 119 8.151 -5.276 6.005 1.00 41.45 H new ATOM 0 HG2 LYS A 119 6.375 -4.078 7.332 1.00 22.14 H new ATOM 0 HG3 LYS A 119 5.495 -3.809 5.841 1.00 22.14 H new ATOM 0 HD2 LYS A 119 4.721 -5.940 5.775 1.00 62.51 H new ATOM 0 HD3 LYS A 119 6.293 -6.618 6.150 1.00 62.51 H new ATOM 0 HE2 LYS A 119 5.895 -6.674 8.416 1.00 3.34 H new ATOM 0 HE3 LYS A 119 4.940 -5.205 8.399 1.00 3.34 H new ATOM 0 HZ1 LYS A 119 3.579 -7.130 8.890 1.00 13.35 H new ATOM 0 HZ2 LYS A 119 3.101 -6.444 7.412 1.00 13.35 H new ATOM 0 HZ3 LYS A 119 4.027 -7.868 7.428 1.00 13.35 H new ATOM 1865 N VAL A 120 9.167 -3.292 7.757 1.00 34.30 N ATOM 1866 CA VAL A 120 9.382 -2.860 9.133 1.00 74.12 C ATOM 1867 C VAL A 120 10.306 -1.649 9.190 1.00 14.23 C ATOM 1868 O VAL A 120 10.430 -0.998 10.227 1.00 73.20 O ATOM 1869 CB VAL A 120 9.982 -3.991 9.989 1.00 11.01 C ATOM 1870 CG1 VAL A 120 11.386 -4.332 9.515 1.00 63.11 C ATOM 1871 CG2 VAL A 120 9.987 -3.600 11.459 1.00 32.23 C ATOM 0 H VAL A 120 9.679 -4.135 7.495 1.00 34.30 H new ATOM 0 HA VAL A 120 8.406 -2.588 9.536 1.00 74.12 H new ATOM 0 HB VAL A 120 9.360 -4.879 9.875 1.00 11.01 H new ATOM 0 HG11 VAL A 120 11.794 -5.133 10.132 1.00 63.11 H new ATOM 0 HG12 VAL A 120 11.350 -4.657 8.475 1.00 63.11 H new ATOM 0 HG13 VAL A 120 12.022 -3.451 9.598 1.00 63.11 H new ATOM 0 HG21 VAL A 120 10.414 -4.410 12.050 1.00 32.23 H new ATOM 0 HG22 VAL A 120 10.585 -2.699 11.594 1.00 32.23 H new ATOM 0 HG23 VAL A 120 8.965 -3.410 11.789 1.00 32.23 H new ATOM 1881 N GLY A 121 10.953 -1.351 8.068 1.00 71.14 N ATOM 1882 CA GLY A 121 11.858 -0.218 8.011 1.00 14.21 C ATOM 1883 C GLY A 121 11.132 1.109 8.113 1.00 12.03 C ATOM 1884 O GLY A 121 11.691 2.096 8.590 1.00 23.51 O ATOM 0 H GLY A 121 10.867 -1.874 7.197 1.00 71.14 H new ATOM 0 HA2 GLY A 121 12.583 -0.295 8.821 1.00 14.21 H new ATOM 0 HA3 GLY A 121 12.419 -0.251 7.077 1.00 14.21 H new ATOM 1888 N GLY A 122 9.881 1.134 7.662 1.00 2.33 N ATOM 1889 CA GLY A 122 9.099 2.356 7.712 1.00 21.35 C ATOM 1890 C GLY A 122 8.183 2.507 6.515 1.00 73.05 C ATOM 1891 O GLY A 122 7.302 3.368 6.502 1.00 44.54 O ATOM 0 H GLY A 122 9.396 0.330 7.263 1.00 2.33 H new ATOM 0 HA2 GLY A 122 8.503 2.365 8.625 1.00 21.35 H new ATOM 0 HA3 GLY A 122 9.772 3.212 7.761 1.00 21.35 H new ATOM 1895 N LEU A 123 8.389 1.669 5.504 1.00 3.53 N ATOM 1896 CA LEU A 123 7.576 1.715 4.294 1.00 35.44 C ATOM 1897 C LEU A 123 6.368 0.790 4.415 1.00 1.54 C ATOM 1898 O LEU A 123 5.370 0.964 3.718 1.00 53.24 O ATOM 1899 CB LEU A 123 8.414 1.320 3.077 1.00 11.32 C ATOM 1900 CG LEU A 123 7.977 1.917 1.739 1.00 15.11 C ATOM 1901 CD1 LEU A 123 8.368 3.384 1.656 1.00 54.44 C ATOM 1902 CD2 LEU A 123 8.583 1.135 0.583 1.00 55.12 C ATOM 0 H LEU A 123 9.112 0.950 5.499 1.00 3.53 H new ATOM 0 HA LEU A 123 7.218 2.736 4.165 1.00 35.44 H new ATOM 0 HB2 LEU A 123 9.448 1.612 3.262 1.00 11.32 H new ATOM 0 HB3 LEU A 123 8.401 0.234 2.989 1.00 11.32 H new ATOM 0 HG LEU A 123 6.891 1.847 1.669 1.00 15.11 H new ATOM 0 HD11 LEU A 123 8.049 3.792 0.697 1.00 54.44 H new ATOM 0 HD12 LEU A 123 7.886 3.935 2.463 1.00 54.44 H new ATOM 0 HD13 LEU A 123 9.450 3.478 1.748 1.00 54.44 H new ATOM 0 HD21 LEU A 123 8.261 1.574 -0.361 1.00 55.12 H new ATOM 0 HD22 LEU A 123 9.670 1.172 0.649 1.00 55.12 H new ATOM 0 HD23 LEU A 123 8.252 0.098 0.632 1.00 55.12 H new ATOM 1914 N GLU A 124 6.467 -0.190 5.307 1.00 20.44 N ATOM 1915 CA GLU A 124 5.382 -1.141 5.520 1.00 13.43 C ATOM 1916 C GLU A 124 5.009 -1.842 4.217 1.00 10.21 C ATOM 1917 O GLU A 124 5.684 -2.778 3.790 1.00 53.22 O ATOM 1918 CB GLU A 124 4.157 -0.429 6.098 1.00 55.44 C ATOM 1919 CG GLU A 124 4.418 0.246 7.434 1.00 41.14 C ATOM 1920 CD GLU A 124 3.151 0.451 8.241 1.00 3.15 C ATOM 1921 OE1 GLU A 124 2.092 -0.061 7.823 1.00 70.12 O ATOM 1922 OE2 GLU A 124 3.219 1.123 9.291 1.00 12.55 O ATOM 0 H GLU A 124 7.287 -0.346 5.894 1.00 20.44 H new ATOM 0 HA GLU A 124 5.726 -1.893 6.231 1.00 13.43 H new ATOM 0 HB2 GLU A 124 3.812 0.319 5.384 1.00 55.44 H new ATOM 0 HB3 GLU A 124 3.350 -1.152 6.217 1.00 55.44 H new ATOM 0 HG2 GLU A 124 5.118 -0.358 8.011 1.00 41.14 H new ATOM 0 HG3 GLU A 124 4.895 1.211 7.262 1.00 41.14 H new