USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 951 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 113 THR OG1 : rot -66:sc= 0.923 USER MOD Set 1.2: A 118 SER OG : rot 176:sc= 0.803 USER MOD Set 2.1: A 97 TYR OH : rot -107:sc= 0.404 USER MOD Set 2.2: A 99 HIS : no HD1:sc= 1.62 K(o=3.2,f=-13!) USER MOD Set 2.3: A 112 SER OG : rot -95:sc= 1.22 USER MOD Set 3.1: A 84 GLN : amide:sc= 0.265 K(o=-0.24,f=-7.5!) USER MOD Set 3.2: A 93 ASN : amide:sc= -0.357 K(o=-0.24,f=-9.3!) USER MOD Set 3.3: A 98 HIS : no HD1:sc= -0.144 K(o=-0.24,f=-7.7!) USER MOD Set 4.1: A 46 ASN :FLIP amide:sc= 0.86 F(o=0.27,f=2.1) USER MOD Set 4.2: A 64 THR OG1 : rot -69:sc= 1.19 USER MOD Set 5.1: A 41 LYS NZ :NH3+ 166:sc= 1.35 (180deg=0.244) USER MOD Set 5.2: A 48 THR OG1 : rot -140:sc= 0.79 USER MOD Set 5.3: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 50 SER OG : rot 5:sc= 0.105 USER MOD Set 6.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 38 SER OG : rot -55:sc= 1.85 USER MOD Set 7.2: A 51 GLN : amide:sc= 1.06 K(o=3.5,f=-2.5) USER MOD Set 7.3: A 123 SER OG : rot -151:sc= 0.572 USER MOD Set 8.1: A 12 LYS NZ :NH3+ 163:sc= 1.59 (180deg=0.166) USER MOD Set 8.2: A 13 ASN : amide:sc= 0.88 K(o=2.5,f=-15!) USER MOD Set 9.1: A 6 TYR OH : rot 11:sc= 1.96 USER MOD Set 9.2: A 125 LYS NZ :NH3+ -158:sc= 2.17 (180deg=0.404) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= 0.916 (180deg=-3.26!) USER MOD Single : A 10 SER OG : rot 55:sc= 1.26 USER MOD Single : A 14 TYR OH : rot -11:sc= 1.2 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 1.77 (180deg=1.3) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0.945 (180deg=0.887) USER MOD Single : A 33 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 1.94 (180deg=1.84) USER MOD Single : A 42 GLN : amide:sc= 1.15 K(o=1.1,f=-0.71) USER MOD Single : A 45 GLN : amide:sc= 0.334 K(o=0.33,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.066) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= 0.0482 K(o=0.048,f=-2.3) USER MOD Single : A 58 SER OG : rot 66:sc= 0.979 USER MOD Single : A 61 ASN : amide:sc= 1.17 K(o=1.2,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 1.62 (180deg=0.0728) USER MOD Single : A 69 CYS SG : rot 3:sc= 0.645 USER MOD Single : A 73 THR OG1 : rot -34:sc= 1.2 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 2.36 (180deg=2.19) USER MOD Single : A 78 LYS NZ :NH3+ 141:sc= 1.45 (180deg=-0.079!) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 1.63 (180deg=1.25) USER MOD Single : A 82 THR OG1 : rot 26:sc= 0.761 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= 0.139 (180deg=-1.1!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.314 USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= 2.27 (180deg=1.97) USER MOD Single : A 119 TYR OH : rot 37:sc= 1.91 USER MOD Single : A 124 LYS NZ :NH3+ 167:sc= 1.7 (180deg=1.33) USER MOD ----------------------------------------------------------------- ATOM 12 N PHE A 2 11.683 -9.663 -4.879 1.00 -0.73 N ATOM 13 CA PHE A 2 10.644 -8.630 -4.771 1.00 0.36 C ATOM 14 C PHE A 2 10.656 -7.965 -3.382 1.00 0.57 C ATOM 15 O PHE A 2 10.187 -6.840 -3.200 1.00 -0.57 O ATOM 16 CB PHE A 2 9.240 -9.194 -5.045 1.00 0.14 C ATOM 17 CG PHE A 2 8.788 -8.831 -6.440 1.00 -0.14 C ATOM 18 CD1 PHE A 2 9.199 -9.592 -7.544 1.00 -0.15 C ATOM 19 CD2 PHE A 2 8.017 -7.677 -6.650 1.00 -0.15 C ATOM 20 CE1 PHE A 2 8.858 -9.196 -8.836 1.00 -0.15 C ATOM 21 CE2 PHE A 2 7.680 -7.284 -7.945 1.00 -0.15 C ATOM 22 CZ PHE A 2 8.110 -8.037 -9.035 1.00 -0.15 C ATOM 0 HA PHE A 2 10.876 -7.884 -5.531 1.00 0.36 H new ATOM 0 HB2 PHE A 2 9.248 -10.278 -4.929 1.00 0.14 H new ATOM 0 HB3 PHE A 2 8.534 -8.800 -4.314 1.00 0.14 H new ATOM 0 HD1 PHE A 2 9.782 -10.488 -7.392 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 7.684 -7.091 -5.806 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 9.173 -9.787 -9.683 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 7.086 -6.396 -8.103 1.00 -0.15 H new ATOM 0 HZ PHE A 2 7.863 -7.722 -10.038 1.00 -0.15 H new ATOM 32 N THR A 3 11.194 -8.704 -2.361 1.00 -0.73 N ATOM 33 CA THR A 3 11.020 -8.314 -0.950 1.00 0.36 C ATOM 34 C THR A 3 11.816 -7.021 -0.640 1.00 0.57 C ATOM 35 O THR A 3 12.844 -6.705 -1.249 1.00 -0.57 O ATOM 36 CB THR A 3 11.540 -9.469 -0.062 1.00 0.28 C ATOM 37 OG1 THR A 3 11.105 -10.709 -0.649 1.00 -0.68 O ATOM 38 CG2 THR A 3 11.042 -9.420 1.374 1.00 0.00 C ATOM 0 H THR A 3 11.739 -9.555 -2.499 1.00 -0.73 H new ATOM 0 HA THR A 3 9.966 -8.121 -0.751 1.00 0.36 H new ATOM 0 HB THR A 3 12.625 -9.376 -0.020 1.00 0.28 H new ATOM 0 HG1 THR A 3 11.424 -11.459 -0.104 1.00 -0.68 H new ATOM 0 HG21 THR A 3 11.451 -10.263 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.364 -8.488 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.953 -9.473 1.384 1.00 0.00 H new ATOM 46 N GLY A 4 11.322 -6.279 0.413 1.00 -0.73 N ATOM 47 CA GLY A 4 12.062 -5.184 1.011 1.00 0.36 C ATOM 48 C GLY A 4 11.203 -4.009 1.503 1.00 0.57 C ATOM 49 O GLY A 4 9.984 -3.955 1.372 1.00 -0.57 O ATOM 0 H GLY A 4 10.411 -6.446 0.841 1.00 -0.73 H new ATOM 0 HA2 GLY A 4 12.637 -5.571 1.852 1.00 0.36 H new ATOM 0 HA3 GLY A 4 12.779 -4.809 0.281 1.00 0.36 H new ATOM 53 N LYS A 5 11.951 -3.024 2.113 1.00 -0.73 N ATOM 54 CA LYS A 5 11.411 -1.706 2.471 1.00 0.36 C ATOM 55 C LYS A 5 11.928 -0.764 1.366 1.00 0.57 C ATOM 56 O LYS A 5 13.134 -0.587 1.176 1.00 -0.57 O ATOM 57 CB LYS A 5 11.974 -1.289 3.826 1.00 0.00 C ATOM 58 CG LYS A 5 11.203 -0.102 4.407 1.00 0.00 C ATOM 59 CD LYS A 5 11.667 0.145 5.839 1.00 0.00 C ATOM 60 CE LYS A 5 10.893 1.229 6.573 1.00 0.50 C ATOM 61 NZ LYS A 5 9.522 0.801 6.832 1.00 -0.85 N ATOM 0 H LYS A 5 12.934 -3.143 2.358 1.00 -0.73 H new ATOM 0 HA LYS A 5 10.324 -1.693 2.544 1.00 0.36 H new ATOM 0 HB2 LYS A 5 11.925 -2.131 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.026 -1.025 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.370 0.788 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.132 -0.305 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.585 -0.786 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.723 0.416 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.390 1.463 7.515 1.00 0.50 H new ATOM 0 HE3 LYS A 5 10.887 2.143 5.980 1.00 0.50 H new ATOM 0 HZ1 LYS A 5 8.866 1.373 6.262 1.00 -0.85 H new ATOM 0 HZ2 LYS A 5 9.417 -0.202 6.577 1.00 -0.85 H new ATOM 0 HZ3 LYS A 5 9.304 0.927 7.841 1.00 -0.85 H new ATOM 75 N TYR A 6 10.969 -0.250 0.537 1.00 -0.73 N ATOM 76 CA TYR A 6 11.284 0.646 -0.571 1.00 0.36 C ATOM 77 C TYR A 6 10.760 2.042 -0.211 1.00 0.57 C ATOM 78 O TYR A 6 9.668 2.207 0.330 1.00 -0.57 O ATOM 79 CB TYR A 6 10.592 0.255 -1.886 1.00 0.14 C ATOM 80 CG TYR A 6 10.878 -1.123 -2.430 1.00 -0.14 C ATOM 81 CD1 TYR A 6 10.417 -2.272 -1.776 1.00 -0.15 C ATOM 82 CD2 TYR A 6 11.550 -1.269 -3.647 1.00 -0.15 C ATOM 83 CE1 TYR A 6 10.674 -3.538 -2.300 1.00 -0.15 C ATOM 84 CE2 TYR A 6 11.790 -2.530 -4.186 1.00 -0.15 C ATOM 85 CZ TYR A 6 11.370 -3.650 -3.494 1.00 0.08 C ATOM 86 OH TYR A 6 11.708 -4.874 -3.993 1.00 -0.53 O ATOM 0 H TYR A 6 9.974 -0.455 0.634 1.00 -0.73 H new ATOM 0 HA TYR A 6 12.363 0.601 -0.719 1.00 0.36 H new ATOM 0 HB2 TYR A 6 9.515 0.345 -1.741 1.00 0.14 H new ATOM 0 HB3 TYR A 6 10.873 0.984 -2.646 1.00 0.14 H new ATOM 0 HD1 TYR A 6 9.857 -2.177 -0.857 1.00 -0.15 H new ATOM 0 HD2 TYR A 6 11.888 -0.391 -4.177 1.00 -0.15 H new ATOM 0 HE1 TYR A 6 10.335 -4.422 -1.781 1.00 -0.15 H new ATOM 0 HE2 TYR A 6 12.298 -2.632 -5.133 1.00 -0.15 H new ATOM 0 HH TYR A 6 11.246 -5.573 -3.485 1.00 -0.53 H new ATOM 96 N GLU A 7 11.563 3.089 -0.586 1.00 -0.73 N ATOM 97 CA GLU A 7 11.079 4.469 -0.542 1.00 0.36 C ATOM 98 C GLU A 7 10.719 4.875 -1.985 1.00 0.57 C ATOM 99 O GLU A 7 11.210 4.311 -2.966 1.00 -0.57 O ATOM 100 CB GLU A 7 12.169 5.381 0.014 1.00 0.00 C ATOM 101 CG GLU A 7 11.581 6.533 0.819 1.00 -0.11 C ATOM 102 CD GLU A 7 12.596 7.642 1.027 1.00 0.91 C ATOM 103 OE1 GLU A 7 13.156 8.066 -0.032 1.00 -0.90 O ATOM 104 OE2 GLU A 7 12.698 8.090 2.193 1.00 -0.90 O ATOM 0 H GLU A 7 12.524 2.986 -0.912 1.00 -0.73 H new ATOM 0 HA GLU A 7 10.206 4.557 0.105 1.00 0.36 H new ATOM 0 HB2 GLU A 7 12.842 4.801 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.766 5.778 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.707 6.930 0.302 1.00 -0.11 H new ATOM 0 HG3 GLU A 7 11.239 6.165 1.786 1.00 -0.11 H new ATOM 111 N ILE A 8 9.874 5.951 -2.120 1.00 -0.73 N ATOM 112 CA ILE A 8 9.484 6.417 -3.454 1.00 0.36 C ATOM 113 C ILE A 8 10.718 7.144 -4.087 1.00 0.57 C ATOM 114 O ILE A 8 11.367 8.014 -3.500 1.00 -0.57 O ATOM 115 CB ILE A 8 8.179 7.252 -3.401 1.00 0.00 C ATOM 116 CG1 ILE A 8 6.952 6.421 -3.854 1.00 0.00 C ATOM 117 CG2 ILE A 8 8.220 8.531 -4.239 1.00 0.00 C ATOM 118 CD1 ILE A 8 6.672 5.180 -3.021 1.00 0.00 C ATOM 0 H ILE A 8 9.476 6.478 -1.343 1.00 -0.73 H new ATOM 0 HA ILE A 8 9.226 5.585 -4.110 1.00 0.36 H new ATOM 0 HB ILE A 8 8.087 7.538 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.070 7.061 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.100 6.118 -4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.269 9.057 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.026 9.173 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.394 8.276 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.795 4.667 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.533 4.512 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.487 5.470 -1.987 1.00 0.00 H new ATOM 130 N GLU A 9 11.042 6.720 -5.364 1.00 -0.73 N ATOM 131 CA GLU A 9 12.060 7.385 -6.197 1.00 0.36 C ATOM 132 C GLU A 9 11.378 8.601 -6.875 1.00 0.57 C ATOM 133 O GLU A 9 11.960 9.680 -6.997 1.00 -0.57 O ATOM 134 CB GLU A 9 12.673 6.391 -7.212 1.00 0.00 C ATOM 135 CG GLU A 9 13.975 6.873 -7.867 1.00 -0.11 C ATOM 136 CD GLU A 9 14.616 5.810 -8.756 1.00 0.91 C ATOM 137 OE1 GLU A 9 13.973 5.411 -9.770 1.00 -0.90 O ATOM 138 OE2 GLU A 9 15.748 5.356 -8.409 1.00 -0.90 O ATOM 0 H GLU A 9 10.600 5.920 -5.816 1.00 -0.73 H new ATOM 0 HA GLU A 9 12.897 7.738 -5.595 1.00 0.36 H new ATOM 0 HB2 GLU A 9 12.864 5.445 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.940 6.191 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.770 7.763 -8.462 1.00 -0.11 H new ATOM 0 HG3 GLU A 9 14.681 7.165 -7.090 1.00 -0.11 H new ATOM 145 N SER A 10 10.121 8.388 -7.402 1.00 -0.73 N ATOM 146 CA SER A 10 9.285 9.448 -7.990 1.00 0.36 C ATOM 147 C SER A 10 7.897 8.900 -8.418 1.00 0.57 C ATOM 148 O SER A 10 7.680 7.701 -8.592 1.00 -0.57 O ATOM 149 CB SER A 10 9.950 10.128 -9.202 1.00 0.28 C ATOM 150 OG SER A 10 10.780 11.217 -8.793 1.00 -0.68 O ATOM 0 H SER A 10 9.679 7.469 -7.420 1.00 -0.73 H new ATOM 0 HA SER A 10 9.160 10.195 -7.206 1.00 0.36 H new ATOM 0 HB2 SER A 10 10.547 9.398 -9.749 1.00 0.28 H new ATOM 0 HB3 SER A 10 9.182 10.490 -9.886 1.00 0.28 H new ATOM 0 HG SER A 10 11.429 10.902 -8.130 1.00 -0.68 H new ATOM 156 N GLU A 11 6.946 9.878 -8.616 1.00 -0.73 N ATOM 157 CA GLU A 11 5.591 9.656 -9.138 1.00 0.36 C ATOM 158 C GLU A 11 5.278 10.854 -10.054 1.00 0.57 C ATOM 159 O GLU A 11 5.887 11.919 -9.949 1.00 -0.57 O ATOM 160 CB GLU A 11 4.541 9.597 -8.021 1.00 0.00 C ATOM 161 CG GLU A 11 4.764 8.414 -7.091 1.00 -0.11 C ATOM 162 CD GLU A 11 3.608 7.998 -6.205 1.00 0.91 C ATOM 163 OE1 GLU A 11 2.491 8.546 -6.410 1.00 -0.90 O ATOM 164 OE2 GLU A 11 3.842 7.029 -5.420 1.00 -0.90 O ATOM 0 H GLU A 11 7.128 10.859 -8.405 1.00 -0.73 H new ATOM 0 HA GLU A 11 5.554 8.701 -9.662 1.00 0.36 H new ATOM 0 HB2 GLU A 11 4.572 10.522 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.546 9.529 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.048 7.556 -7.700 1.00 -0.11 H new ATOM 0 HG3 GLU A 11 5.614 8.645 -6.449 1.00 -0.11 H new ATOM 171 N LYS A 12 4.252 10.662 -10.964 1.00 -0.73 N ATOM 172 CA LYS A 12 3.961 11.728 -11.923 1.00 0.36 C ATOM 173 C LYS A 12 2.517 11.751 -12.466 1.00 0.57 C ATOM 174 O LYS A 12 2.218 12.403 -13.466 1.00 -0.57 O ATOM 175 CB LYS A 12 4.957 11.752 -13.104 1.00 0.00 C ATOM 176 CG LYS A 12 5.005 10.428 -13.884 1.00 0.00 C ATOM 177 CD LYS A 12 5.078 10.611 -15.407 1.00 0.00 C ATOM 178 CE LYS A 12 3.739 10.924 -16.079 1.00 0.50 C ATOM 179 NZ LYS A 12 2.841 9.775 -16.052 1.00 -0.85 N ATOM 0 H LYS A 12 3.666 9.830 -11.031 1.00 -0.73 H new ATOM 0 HA LYS A 12 4.081 12.632 -11.326 1.00 0.36 H new ATOM 0 HB2 LYS A 12 4.683 12.558 -13.785 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.954 11.979 -12.726 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.871 9.853 -13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.120 9.840 -13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.778 11.417 -15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.487 9.703 -15.849 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.267 11.767 -15.575 1.00 0.50 H new ATOM 0 HE3 LYS A 12 3.912 11.227 -17.112 1.00 0.50 H new ATOM 0 HZ1 LYS A 12 1.869 10.090 -16.244 1.00 -0.85 H new ATOM 0 HZ2 LYS A 12 3.133 9.089 -16.778 1.00 -0.85 H new ATOM 0 HZ3 LYS A 12 2.881 9.325 -15.115 1.00 -0.85 H new ATOM 193 N ASN A 13 1.560 11.081 -11.723 1.00 -0.73 N ATOM 194 CA ASN A 13 0.193 11.023 -12.278 1.00 0.36 C ATOM 195 C ASN A 13 -0.909 10.782 -11.227 1.00 0.57 C ATOM 196 O ASN A 13 -2.061 10.475 -11.540 1.00 -0.57 O ATOM 197 CB ASN A 13 0.080 9.956 -13.370 1.00 0.06 C ATOM 198 CG ASN A 13 -0.366 10.523 -14.694 1.00 0.57 C ATOM 199 OD1 ASN A 13 0.368 10.594 -15.678 1.00 -0.57 O ATOM 200 ND2 ASN A 13 -1.660 10.944 -14.742 1.00 -0.80 N ATOM 0 H ASN A 13 1.707 10.621 -10.825 1.00 -0.73 H new ATOM 0 HA ASN A 13 0.026 12.015 -12.698 1.00 0.36 H new ATOM 0 HB2 ASN A 13 1.046 9.467 -13.496 1.00 0.06 H new ATOM 0 HB3 ASN A 13 -0.626 9.189 -13.051 1.00 0.06 H new ATOM 0 HD21 ASN A 13 -2.040 11.328 -15.607 1.00 -0.80 H new ATOM 0 HD22 ASN A 13 -2.250 10.875 -13.913 1.00 -0.80 H new ATOM 207 N TYR A 14 -0.557 11.044 -9.918 1.00 -0.73 N ATOM 208 CA TYR A 14 -1.371 10.469 -8.839 1.00 0.36 C ATOM 209 C TYR A 14 -2.743 11.168 -8.765 1.00 0.57 C ATOM 210 O TYR A 14 -3.798 10.558 -8.598 1.00 -0.57 O ATOM 211 CB TYR A 14 -0.585 10.514 -7.518 1.00 0.14 C ATOM 212 CG TYR A 14 -0.872 11.627 -6.548 1.00 -0.14 C ATOM 213 CD1 TYR A 14 -1.930 11.511 -5.636 1.00 -0.15 C ATOM 214 CD2 TYR A 14 -0.075 12.779 -6.531 1.00 -0.15 C ATOM 215 CE1 TYR A 14 -2.198 12.533 -4.726 1.00 -0.15 C ATOM 216 CE2 TYR A 14 -0.333 13.790 -5.610 1.00 -0.15 C ATOM 217 CZ TYR A 14 -1.387 13.657 -4.712 1.00 0.08 C ATOM 218 OH TYR A 14 -1.522 14.653 -3.792 1.00 -0.53 O ATOM 0 H TYR A 14 0.235 11.614 -9.621 1.00 -0.73 H new ATOM 0 HA TYR A 14 -1.581 9.420 -9.046 1.00 0.36 H new ATOM 0 HB2 TYR A 14 -0.755 9.571 -6.999 1.00 0.14 H new ATOM 0 HB3 TYR A 14 0.476 10.555 -7.765 1.00 0.14 H new ATOM 0 HD1 TYR A 14 -2.543 10.622 -5.638 1.00 -0.15 H new ATOM 0 HD2 TYR A 14 0.740 12.883 -7.233 1.00 -0.15 H new ATOM 0 HE1 TYR A 14 -3.028 12.450 -4.040 1.00 -0.15 H new ATOM 0 HE2 TYR A 14 0.284 14.676 -5.593 1.00 -0.15 H new ATOM 0 HH TYR A 14 -2.357 14.528 -3.294 1.00 -0.53 H new ATOM 228 N ASP A 15 -2.690 12.543 -8.862 1.00 -0.73 N ATOM 229 CA ASP A 15 -3.807 13.403 -8.416 1.00 0.36 C ATOM 230 C ASP A 15 -5.060 13.044 -9.243 1.00 0.57 C ATOM 231 O ASP A 15 -6.153 12.815 -8.729 1.00 -0.57 O ATOM 232 CB ASP A 15 -3.359 14.844 -8.594 1.00 -0.11 C ATOM 233 CG ASP A 15 -4.396 15.856 -8.161 1.00 0.91 C ATOM 234 OD1 ASP A 15 -5.538 15.774 -8.685 1.00 -0.90 O ATOM 235 OD2 ASP A 15 -3.993 16.716 -7.320 1.00 -0.90 O ATOM 0 H ASP A 15 -1.893 13.054 -9.241 1.00 -0.73 H new ATOM 0 HA ASP A 15 -4.069 13.256 -7.368 1.00 0.36 H new ATOM 0 HB2 ASP A 15 -2.445 15.005 -8.023 1.00 -0.11 H new ATOM 0 HB3 ASP A 15 -3.114 15.013 -9.642 1.00 -0.11 H new ATOM 240 N GLU A 16 -4.844 12.971 -10.604 1.00 -0.73 N ATOM 241 CA GLU A 16 -5.929 12.670 -11.528 1.00 0.36 C ATOM 242 C GLU A 16 -6.422 11.216 -11.422 1.00 0.57 C ATOM 243 O GLU A 16 -7.557 10.891 -11.778 1.00 -0.57 O ATOM 244 CB GLU A 16 -5.515 12.972 -12.978 1.00 0.00 C ATOM 245 CG GLU A 16 -5.723 14.444 -13.344 1.00 -0.11 C ATOM 246 CD GLU A 16 -7.196 14.802 -13.190 1.00 0.91 C ATOM 247 OE1 GLU A 16 -8.008 14.124 -13.891 1.00 -0.90 O ATOM 248 OE2 GLU A 16 -7.460 15.652 -12.289 1.00 -0.90 O ATOM 0 H GLU A 16 -3.938 13.118 -11.048 1.00 -0.73 H new ATOM 0 HA GLU A 16 -6.758 13.317 -11.242 1.00 0.36 H new ATOM 0 HB2 GLU A 16 -4.466 12.710 -13.117 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.093 12.345 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.114 15.079 -12.701 1.00 -0.11 H new ATOM 0 HG3 GLU A 16 -5.399 14.624 -14.369 1.00 -0.11 H new ATOM 255 N PHE A 17 -5.499 10.304 -10.982 1.00 -0.73 N ATOM 256 CA PHE A 17 -5.856 8.901 -10.791 1.00 0.36 C ATOM 257 C PHE A 17 -6.873 8.778 -9.633 1.00 0.57 C ATOM 258 O PHE A 17 -7.788 7.950 -9.637 1.00 -0.57 O ATOM 259 CB PHE A 17 -4.601 8.081 -10.505 1.00 0.14 C ATOM 260 CG PHE A 17 -4.765 6.619 -10.812 1.00 -0.14 C ATOM 261 CD1 PHE A 17 -4.574 6.147 -12.114 1.00 -0.15 C ATOM 262 CD2 PHE A 17 -5.080 5.714 -9.796 1.00 -0.15 C ATOM 263 CE1 PHE A 17 -4.656 4.788 -12.390 1.00 -0.15 C ATOM 264 CE2 PHE A 17 -5.185 4.355 -10.078 1.00 -0.15 C ATOM 265 CZ PHE A 17 -4.976 3.896 -11.373 1.00 -0.15 C ATOM 0 H PHE A 17 -4.529 10.530 -10.763 1.00 -0.73 H new ATOM 0 HA PHE A 17 -6.317 8.513 -11.699 1.00 0.36 H new ATOM 0 HB2 PHE A 17 -3.774 8.478 -11.093 1.00 0.14 H new ATOM 0 HB3 PHE A 17 -4.331 8.197 -9.455 1.00 0.14 H new ATOM 0 HD1 PHE A 17 -4.361 6.844 -12.911 1.00 -0.15 H new ATOM 0 HD2 PHE A 17 -5.242 6.069 -8.789 1.00 -0.15 H new ATOM 0 HE1 PHE A 17 -4.472 4.426 -13.391 1.00 -0.15 H new ATOM 0 HE2 PHE A 17 -5.429 3.657 -9.291 1.00 -0.15 H new ATOM 0 HZ PHE A 17 -5.063 2.842 -11.590 1.00 -0.15 H new ATOM 275 N MET A 18 -6.688 9.641 -8.569 1.00 -0.73 N ATOM 276 CA MET A 18 -7.477 9.476 -7.347 1.00 0.36 C ATOM 277 C MET A 18 -8.974 9.748 -7.641 1.00 0.57 C ATOM 278 O MET A 18 -9.884 9.228 -6.996 1.00 -0.57 O ATOM 279 CB MET A 18 -7.045 10.394 -6.206 1.00 0.00 C ATOM 280 CG MET A 18 -5.595 10.242 -5.767 1.00 0.23 C ATOM 281 SD MET A 18 -5.082 8.547 -5.336 1.00 -0.46 S ATOM 282 CE MET A 18 -5.134 8.690 -3.534 1.00 0.23 C ATOM 0 H MET A 18 -6.024 10.415 -8.556 1.00 -0.73 H new ATOM 0 HA MET A 18 -7.310 8.448 -7.027 1.00 0.36 H new ATOM 0 HB2 MET A 18 -7.210 11.428 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.690 10.208 -5.347 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.951 10.606 -6.567 1.00 0.23 H new ATOM 0 HG3 MET A 18 -5.425 10.885 -4.904 1.00 0.23 H new ATOM 0 HE1 MET A 18 -4.847 7.739 -3.085 1.00 0.23 H new ATOM 0 HE2 MET A 18 -4.442 9.467 -3.211 1.00 0.23 H new ATOM 0 HE3 MET A 18 -6.144 8.950 -3.219 1.00 0.23 H new ATOM 292 N LYS A 19 -9.204 10.670 -8.642 1.00 -0.73 N ATOM 293 CA LYS A 19 -10.550 11.066 -9.039 1.00 0.36 C ATOM 294 C LYS A 19 -11.257 9.930 -9.819 1.00 0.57 C ATOM 295 O LYS A 19 -12.482 9.849 -9.877 1.00 -0.57 O ATOM 296 CB LYS A 19 -10.529 12.306 -9.930 1.00 0.00 C ATOM 297 CG LYS A 19 -10.272 13.608 -9.154 1.00 0.00 C ATOM 298 CD LYS A 19 -9.066 14.312 -9.758 1.00 0.00 C ATOM 299 CE LYS A 19 -8.833 15.716 -9.231 1.00 0.50 C ATOM 300 NZ LYS A 19 -7.639 16.274 -9.863 1.00 -0.85 N ATOM 0 H LYS A 19 -8.461 11.132 -9.166 1.00 -0.73 H new ATOM 0 HA LYS A 19 -11.092 11.284 -8.119 1.00 0.36 H new ATOM 0 HB2 LYS A 19 -9.757 12.186 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.482 12.385 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.148 14.254 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.093 13.390 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.176 13.712 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.192 14.359 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.698 16.345 -9.442 1.00 0.50 H new ATOM 0 HE3 LYS A 19 -8.710 15.695 -8.148 1.00 0.50 H new ATOM 0 HZ1 LYS A 19 -7.569 17.287 -9.639 1.00 -0.85 H new ATOM 0 HZ2 LYS A 19 -6.795 15.781 -9.507 1.00 -0.85 H new ATOM 0 HZ3 LYS A 19 -7.702 16.151 -10.894 1.00 -0.85 H new ATOM 314 N ARG A 20 -10.430 9.110 -10.567 1.00 -0.73 N ATOM 315 CA ARG A 20 -10.986 7.956 -11.282 1.00 0.36 C ATOM 316 C ARG A 20 -11.292 6.780 -10.316 1.00 0.57 C ATOM 317 O ARG A 20 -12.085 5.877 -10.593 1.00 -0.57 O ATOM 318 CB ARG A 20 -10.039 7.442 -12.372 1.00 0.00 C ATOM 319 CG ARG A 20 -9.460 8.490 -13.324 1.00 0.00 C ATOM 320 CD ARG A 20 -10.483 9.400 -13.986 1.00 0.33 C ATOM 321 NE ARG A 20 -9.839 10.291 -14.966 1.00 -0.84 N ATOM 322 CZ ARG A 20 -9.392 11.532 -14.690 1.00 1.20 C ATOM 323 NH1 ARG A 20 -9.297 11.986 -13.451 1.00 -0.97 N ATOM 324 NH2 ARG A 20 -8.999 12.346 -15.667 1.00 -0.97 N ATOM 0 H ARG A 20 -9.424 9.240 -10.672 1.00 -0.73 H new ATOM 0 HA ARG A 20 -11.909 8.309 -11.742 1.00 0.36 H new ATOM 0 HB2 ARG A 20 -9.210 6.926 -11.888 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.573 6.700 -12.966 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.752 9.108 -12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.896 7.977 -14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.244 8.798 -14.482 1.00 0.33 H new ATOM 0 HD3 ARG A 20 -10.991 9.995 -13.227 1.00 0.33 H new ATOM 0 HE ARG A 20 -9.723 9.945 -15.919 1.00 -0.84 H new ATOM 0 HH11 ARG A 20 -9.566 11.391 -12.668 1.00 -0.97 H new ATOM 0 HH12 ARG A 20 -8.954 12.931 -13.279 1.00 -0.97 H new ATOM 0 HH21 ARG A 20 -9.034 12.033 -16.637 1.00 -0.97 H new ATOM 0 HH22 ARG A 20 -8.663 13.283 -15.446 1.00 -0.97 H new ATOM 338 N LEU A 21 -10.517 6.750 -9.174 1.00 -0.73 N ATOM 339 CA LEU A 21 -10.732 5.753 -8.136 1.00 0.36 C ATOM 340 C LEU A 21 -11.932 6.115 -7.236 1.00 0.57 C ATOM 341 O LEU A 21 -12.503 5.245 -6.573 1.00 -0.57 O ATOM 342 CB LEU A 21 -9.516 5.618 -7.216 1.00 0.00 C ATOM 343 CG LEU A 21 -8.392 4.751 -7.794 1.00 0.00 C ATOM 344 CD1 LEU A 21 -7.140 4.921 -6.939 1.00 0.00 C ATOM 345 CD2 LEU A 21 -8.780 3.277 -7.798 1.00 0.00 C ATOM 0 H LEU A 21 -9.760 7.405 -8.981 1.00 -0.73 H new ATOM 0 HA LEU A 21 -10.917 4.818 -8.665 1.00 0.36 H new ATOM 0 HB2 LEU A 21 -9.122 6.612 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.838 5.192 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.208 5.069 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.336 4.307 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.835 5.967 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.353 4.610 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.963 2.687 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.981 2.951 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.674 3.138 -8.406 1.00 0.00 H new ATOM 357 N ALA A 22 -12.178 7.460 -7.102 1.00 -0.73 N ATOM 358 CA ALA A 22 -13.144 8.030 -6.169 1.00 0.36 C ATOM 359 C ALA A 22 -12.615 7.949 -4.722 1.00 0.57 C ATOM 360 O ALA A 22 -13.288 7.535 -3.780 1.00 -0.57 O ATOM 361 CB ALA A 22 -14.548 7.455 -6.314 1.00 0.00 C ATOM 0 H ALA A 22 -11.692 8.165 -7.657 1.00 -0.73 H new ATOM 0 HA ALA A 22 -13.252 9.083 -6.430 1.00 0.36 H new ATOM 0 HB1 ALA A 22 -15.211 7.926 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.918 7.647 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.521 6.380 -6.136 1.00 0.00 H new ATOM 433 N ILE A 28 -5.955 13.164 -1.221 1.00 -0.73 N ATOM 434 CA ILE A 28 -5.373 13.868 -2.357 1.00 0.36 C ATOM 435 C ILE A 28 -4.495 15.035 -1.872 1.00 0.57 C ATOM 436 O ILE A 28 -3.551 15.441 -2.556 1.00 -0.57 O ATOM 437 CB ILE A 28 -6.475 14.353 -3.327 1.00 0.00 C ATOM 438 CG1 ILE A 28 -7.164 13.143 -3.977 1.00 0.00 C ATOM 439 CG2 ILE A 28 -5.930 15.258 -4.436 1.00 0.00 C ATOM 440 CD1 ILE A 28 -8.452 13.492 -4.701 1.00 0.00 C ATOM 0 HA ILE A 28 -4.736 13.175 -2.907 1.00 0.36 H new ATOM 0 HB ILE A 28 -7.182 14.934 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.475 12.679 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.379 12.402 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.747 15.568 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.466 16.138 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.189 14.712 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.882 12.589 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.159 13.928 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.241 14.210 -5.494 1.00 0.00 H new ATOM 452 N ASP A 29 -4.885 15.653 -0.720 1.00 -0.73 N ATOM 453 CA ASP A 29 -4.055 16.656 -0.064 1.00 0.36 C ATOM 454 C ASP A 29 -2.791 16.016 0.550 1.00 0.57 C ATOM 455 O ASP A 29 -1.673 16.511 0.408 1.00 -0.57 O ATOM 456 CB ASP A 29 -4.848 17.447 0.969 1.00 -0.11 C ATOM 457 CG ASP A 29 -5.308 16.619 2.156 1.00 0.91 C ATOM 458 OD1 ASP A 29 -5.368 15.364 1.995 1.00 -0.90 O ATOM 459 OD2 ASP A 29 -5.507 17.241 3.240 1.00 -0.90 O ATOM 0 H ASP A 29 -5.767 15.462 -0.244 1.00 -0.73 H new ATOM 0 HA ASP A 29 -3.726 17.365 -0.824 1.00 0.36 H new ATOM 0 HB2 ASP A 29 -4.234 18.272 1.330 1.00 -0.11 H new ATOM 0 HB3 ASP A 29 -5.720 17.886 0.485 1.00 -0.11 H new ATOM 464 N LYS A 30 -2.980 14.878 1.297 1.00 -0.73 N ATOM 465 CA LYS A 30 -1.960 14.477 2.262 1.00 0.36 C ATOM 466 C LYS A 30 -0.902 13.571 1.625 1.00 0.57 C ATOM 467 O LYS A 30 0.043 13.127 2.268 1.00 -0.57 O ATOM 468 CB LYS A 30 -2.578 13.871 3.528 1.00 0.00 C ATOM 469 CG LYS A 30 -3.021 15.002 4.465 1.00 0.00 C ATOM 470 CD LYS A 30 -3.980 14.540 5.558 1.00 0.00 C ATOM 471 CE LYS A 30 -4.620 15.716 6.292 1.00 0.50 C ATOM 472 NZ LYS A 30 -5.733 16.274 5.533 1.00 -0.85 N ATOM 0 H LYS A 30 -3.794 14.266 1.239 1.00 -0.73 H new ATOM 0 HA LYS A 30 -1.439 15.380 2.581 1.00 0.36 H new ATOM 0 HB2 LYS A 30 -3.431 13.244 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.853 13.230 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.140 15.446 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.501 15.784 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.760 13.920 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.442 13.916 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.972 15.388 7.270 1.00 0.50 H new ATOM 0 HE3 LYS A 30 -3.872 16.489 6.466 1.00 0.50 H new ATOM 0 HZ1 LYS A 30 -6.251 16.954 6.126 1.00 -0.85 H new ATOM 0 HZ2 LYS A 30 -5.369 16.759 4.688 1.00 -0.85 H new ATOM 0 HZ3 LYS A 30 -6.374 15.508 5.243 1.00 -0.85 H new ATOM 486 N ALA A 31 -1.050 13.368 0.272 1.00 -0.73 N ATOM 487 CA ALA A 31 0.018 12.820 -0.545 1.00 0.36 C ATOM 488 C ALA A 31 0.839 13.891 -1.300 1.00 0.57 C ATOM 489 O ALA A 31 1.737 13.566 -2.084 1.00 -0.57 O ATOM 490 CB ALA A 31 -0.558 11.831 -1.548 1.00 0.00 C ATOM 0 H ALA A 31 -1.903 13.584 -0.244 1.00 -0.73 H new ATOM 0 HA ALA A 31 0.704 12.326 0.143 1.00 0.36 H new ATOM 0 HB1 ALA A 31 0.247 11.422 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.056 11.021 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.277 12.340 -2.189 1.00 0.00 H new ATOM 496 N ARG A 32 0.552 15.216 -1.043 1.00 -0.73 N ATOM 497 CA ARG A 32 1.091 16.286 -1.882 1.00 0.36 C ATOM 498 C ARG A 32 2.599 16.523 -1.628 1.00 0.57 C ATOM 499 O ARG A 32 3.042 17.469 -0.983 1.00 -0.57 O ATOM 500 CB ARG A 32 0.307 17.592 -1.685 1.00 0.00 C ATOM 501 CG ARG A 32 0.509 18.634 -2.795 1.00 0.00 C ATOM 502 CD ARG A 32 0.158 18.157 -4.207 1.00 0.33 C ATOM 503 NE ARG A 32 -1.107 17.428 -4.234 1.00 -0.84 N ATOM 504 CZ ARG A 32 -2.032 17.430 -5.191 1.00 1.20 C ATOM 505 NH1 ARG A 32 -1.867 18.015 -6.370 1.00 -0.97 N ATOM 506 NH2 ARG A 32 -3.178 16.811 -4.964 1.00 -0.97 N ATOM 0 H ARG A 32 -0.038 15.535 -0.274 1.00 -0.73 H new ATOM 0 HA ARG A 32 0.977 15.961 -2.916 1.00 0.36 H new ATOM 0 HB2 ARG A 32 -0.755 17.356 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.598 18.035 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.097 19.510 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.551 18.955 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.097 19.015 -4.876 1.00 0.33 H new ATOM 0 HD3 ARG A 32 0.955 17.516 -4.583 1.00 0.33 H new ATOM 0 HE ARG A 32 -1.306 16.846 -3.420 1.00 -0.84 H new ATOM 0 HH11 ARG A 32 -0.994 18.497 -6.582 1.00 -0.97 H new ATOM 0 HH12 ARG A 32 -2.614 17.983 -7.064 1.00 -0.97 H new ATOM 0 HH21 ARG A 32 -3.338 16.346 -4.071 1.00 -0.97 H new ATOM 0 HH22 ARG A 32 -3.902 16.799 -5.682 1.00 -0.97 H new ATOM 520 N ASN A 33 3.403 15.600 -2.256 1.00 -0.73 N ATOM 521 CA ASN A 33 4.864 15.629 -2.254 1.00 0.36 C ATOM 522 C ASN A 33 5.435 14.980 -0.976 1.00 0.57 C ATOM 523 O ASN A 33 6.519 15.309 -0.494 1.00 -0.57 O ATOM 524 CB ASN A 33 5.493 17.005 -2.476 1.00 0.06 C ATOM 525 CG ASN A 33 4.862 17.751 -3.627 1.00 0.57 C ATOM 526 OD1 ASN A 33 4.452 17.233 -4.660 1.00 -0.57 O ATOM 527 ND2 ASN A 33 4.805 19.106 -3.460 1.00 -0.80 N ATOM 0 H ASN A 33 3.022 14.812 -2.780 1.00 -0.73 H new ATOM 0 HA ASN A 33 5.144 15.040 -3.128 1.00 0.36 H new ATOM 0 HB2 ASN A 33 5.394 17.597 -1.566 1.00 0.06 H new ATOM 0 HB3 ASN A 33 6.560 16.887 -2.665 1.00 0.06 H new ATOM 0 HD21 ASN A 33 4.419 19.695 -4.198 1.00 -0.80 H new ATOM 0 HD22 ASN A 33 5.148 19.528 -2.597 1.00 -0.80 H new ATOM 534 N LEU A 34 4.728 13.885 -0.503 1.00 -0.73 N ATOM 535 CA LEU A 34 5.328 13.041 0.513 1.00 0.36 C ATOM 536 C LEU A 34 6.368 12.086 -0.115 1.00 0.57 C ATOM 537 O LEU A 34 6.288 11.636 -1.255 1.00 -0.57 O ATOM 538 CB LEU A 34 4.304 12.143 1.221 1.00 0.00 C ATOM 539 CG LEU A 34 3.333 12.835 2.185 1.00 0.00 C ATOM 540 CD1 LEU A 34 2.517 11.752 2.899 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.031 13.708 3.225 1.00 0.00 C ATOM 0 H LEU A 34 3.796 13.608 -0.812 1.00 -0.73 H new ATOM 0 HA LEU A 34 5.779 13.729 1.228 1.00 0.36 H new ATOM 0 HB2 LEU A 34 3.718 11.628 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.848 11.378 1.776 1.00 0.00 H new ATOM 0 HG LEU A 34 2.700 13.500 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.818 12.221 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.963 11.169 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.189 11.095 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.285 14.167 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.704 13.094 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.603 14.487 2.721 1.00 0.00 H new ATOM 553 N LYS A 35 7.333 11.680 0.786 1.00 -0.73 N ATOM 554 CA LYS A 35 8.130 10.483 0.560 1.00 0.36 C ATOM 555 C LYS A 35 7.270 9.333 1.130 1.00 0.57 C ATOM 556 O LYS A 35 7.185 9.084 2.330 1.00 -0.57 O ATOM 557 CB LYS A 35 9.474 10.590 1.290 1.00 0.00 C ATOM 558 CG LYS A 35 10.391 11.672 0.689 1.00 0.00 C ATOM 559 CD LYS A 35 11.643 11.114 0.002 1.00 0.00 C ATOM 560 CE LYS A 35 11.317 10.277 -1.225 1.00 0.50 C ATOM 561 NZ LYS A 35 12.533 9.660 -1.756 1.00 -0.85 N ATOM 0 H LYS A 35 7.551 12.176 1.651 1.00 -0.73 H new ATOM 0 HA LYS A 35 8.369 10.328 -0.492 1.00 0.36 H new ATOM 0 HB2 LYS A 35 9.295 10.814 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.982 9.626 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.822 12.256 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.697 12.356 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.291 11.941 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.202 10.506 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.593 9.505 -0.965 1.00 0.50 H new ATOM 0 HE3 LYS A 35 10.855 10.903 -1.989 1.00 0.50 H new ATOM 0 HZ1 LYS A 35 12.318 9.190 -2.658 1.00 -0.85 H new ATOM 0 HZ2 LYS A 35 13.255 10.392 -1.911 1.00 -0.85 H new ATOM 0 HZ3 LYS A 35 12.891 8.959 -1.077 1.00 -0.85 H new ATOM 575 N ILE A 36 6.476 8.707 0.194 1.00 -0.73 N ATOM 576 CA ILE A 36 5.725 7.485 0.506 1.00 0.36 C ATOM 577 C ILE A 36 6.778 6.346 0.568 1.00 0.57 C ATOM 578 O ILE A 36 7.836 6.371 -0.069 1.00 -0.57 O ATOM 579 CB ILE A 36 4.627 7.272 -0.568 1.00 0.00 C ATOM 580 CG1 ILE A 36 3.591 8.421 -0.486 1.00 0.00 C ATOM 581 CG2 ILE A 36 3.916 5.915 -0.491 1.00 0.00 C ATOM 582 CD1 ILE A 36 2.700 8.516 -1.715 1.00 0.00 C ATOM 0 H ILE A 36 6.356 9.041 -0.762 1.00 -0.73 H new ATOM 0 HA ILE A 36 5.195 7.527 1.458 1.00 0.36 H new ATOM 0 HB ILE A 36 5.140 7.279 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.967 8.276 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.117 9.366 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.165 5.853 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.645 5.115 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.433 5.812 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.998 9.341 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.315 8.691 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.148 7.584 -1.837 1.00 0.00 H new ATOM 594 N ILE A 37 6.438 5.301 1.396 1.00 -0.73 N ATOM 595 CA ILE A 37 7.308 4.147 1.598 1.00 0.36 C ATOM 596 C ILE A 37 6.466 2.913 1.208 1.00 0.57 C ATOM 597 O ILE A 37 5.384 2.669 1.746 1.00 -0.57 O ATOM 598 CB ILE A 37 7.799 4.054 3.065 1.00 0.00 C ATOM 599 CG1 ILE A 37 8.522 5.340 3.532 1.00 0.00 C ATOM 600 CG2 ILE A 37 8.756 2.871 3.242 1.00 0.00 C ATOM 601 CD1 ILE A 37 7.599 6.318 4.247 1.00 0.00 C ATOM 0 H ILE A 37 5.564 5.259 1.921 1.00 -0.73 H new ATOM 0 HA ILE A 37 8.210 4.222 0.990 1.00 0.36 H new ATOM 0 HB ILE A 37 6.906 3.917 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.340 5.068 4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.966 5.834 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.089 2.824 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.242 1.945 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.619 3.001 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.166 7.199 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.795 6.617 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.175 5.839 5.129 1.00 0.00 H new ATOM 613 N SER A 38 6.986 2.144 0.188 1.00 -0.73 N ATOM 614 CA SER A 38 6.376 0.867 -0.173 1.00 0.36 C ATOM 615 C SER A 38 7.094 -0.230 0.640 1.00 0.57 C ATOM 616 O SER A 38 8.299 -0.461 0.518 1.00 -0.57 O ATOM 617 CB SER A 38 6.516 0.521 -1.669 1.00 0.28 C ATOM 618 OG SER A 38 6.451 1.655 -2.542 1.00 -0.68 O ATOM 0 H SER A 38 7.802 2.400 -0.367 1.00 -0.73 H new ATOM 0 HA SER A 38 5.309 0.934 0.042 1.00 0.36 H new ATOM 0 HB2 SER A 38 7.466 0.010 -1.825 1.00 0.28 H new ATOM 0 HB3 SER A 38 5.728 -0.181 -1.944 1.00 0.28 H new ATOM 0 HG SER A 38 5.625 2.153 -2.370 1.00 -0.68 H new ATOM 624 N GLU A 39 6.334 -0.899 1.564 1.00 -0.73 N ATOM 625 CA GLU A 39 6.861 -2.075 2.260 1.00 0.36 C ATOM 626 C GLU A 39 6.371 -3.295 1.453 1.00 0.57 C ATOM 627 O GLU A 39 5.236 -3.336 0.970 1.00 -0.57 O ATOM 628 CB GLU A 39 6.335 -2.221 3.692 1.00 0.00 C ATOM 629 CG GLU A 39 6.262 -0.919 4.472 1.00 -0.11 C ATOM 630 CD GLU A 39 7.464 -0.392 5.188 1.00 0.91 C ATOM 631 OE1 GLU A 39 8.337 -1.184 5.632 1.00 -0.90 O ATOM 632 OE2 GLU A 39 7.494 0.863 5.403 1.00 -0.90 O ATOM 0 H GLU A 39 5.383 -0.638 1.825 1.00 -0.73 H new ATOM 0 HA GLU A 39 7.945 -1.987 2.328 1.00 0.36 H new ATOM 0 HB2 GLU A 39 5.340 -2.665 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.976 -2.918 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.938 -0.145 3.776 1.00 -0.11 H new ATOM 0 HG3 GLU A 39 5.471 -1.033 5.213 1.00 -0.11 H new ATOM 639 N VAL A 40 7.249 -4.346 1.370 1.00 -0.73 N ATOM 640 CA VAL A 40 6.917 -5.565 0.644 1.00 0.36 C ATOM 641 C VAL A 40 7.543 -6.726 1.442 1.00 0.57 C ATOM 642 O VAL A 40 8.727 -7.051 1.319 1.00 -0.57 O ATOM 643 CB VAL A 40 7.462 -5.562 -0.806 1.00 0.00 C ATOM 644 CG1 VAL A 40 6.996 -6.816 -1.557 1.00 0.00 C ATOM 645 CG2 VAL A 40 7.037 -4.321 -1.592 1.00 0.00 C ATOM 0 H VAL A 40 8.174 -4.350 1.799 1.00 -0.73 H new ATOM 0 HA VAL A 40 5.835 -5.659 0.556 1.00 0.36 H new ATOM 0 HB VAL A 40 8.549 -5.553 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.388 -6.798 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.362 -7.705 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.907 -6.838 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.447 -4.371 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.949 -4.278 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.412 -3.428 -1.092 1.00 0.00 H new ATOM 655 N LYS A 41 6.697 -7.315 2.362 1.00 -0.73 N ATOM 656 CA LYS A 41 7.017 -8.627 2.914 1.00 0.36 C ATOM 657 C LYS A 41 6.344 -9.642 1.962 1.00 0.57 C ATOM 658 O LYS A 41 5.150 -9.596 1.673 1.00 -0.57 O ATOM 659 CB LYS A 41 6.525 -8.743 4.363 1.00 0.00 C ATOM 660 CG LYS A 41 6.872 -10.082 5.030 1.00 0.00 C ATOM 661 CD LYS A 41 5.723 -11.098 5.018 1.00 0.00 C ATOM 662 CE LYS A 41 4.718 -10.864 6.145 1.00 0.50 C ATOM 663 NZ LYS A 41 3.574 -11.756 5.993 1.00 -0.85 N ATOM 0 H LYS A 41 5.832 -6.899 2.706 1.00 -0.73 H new ATOM 0 HA LYS A 41 8.090 -8.811 2.969 1.00 0.36 H new ATOM 0 HB2 LYS A 41 6.958 -7.933 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.444 -8.608 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.734 -10.517 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.169 -9.896 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.207 -11.045 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.132 -12.104 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.196 -11.035 7.110 1.00 0.50 H new ATOM 0 HE3 LYS A 41 4.384 -9.827 6.134 1.00 0.50 H new ATOM 0 HZ1 LYS A 41 3.020 -11.763 6.873 1.00 -0.85 H new ATOM 0 HZ2 LYS A 41 2.976 -11.424 5.210 1.00 -0.85 H new ATOM 0 HZ3 LYS A 41 3.909 -12.719 5.788 1.00 -0.85 H new ATOM 677 N GLN A 42 7.206 -10.555 1.403 1.00 -0.73 N ATOM 678 CA GLN A 42 6.717 -11.676 0.596 1.00 0.36 C ATOM 679 C GLN A 42 6.650 -12.868 1.565 1.00 0.57 C ATOM 680 O GLN A 42 7.556 -13.076 2.372 1.00 -0.57 O ATOM 681 CB GLN A 42 7.696 -11.927 -0.551 1.00 0.00 C ATOM 682 CG GLN A 42 7.266 -13.064 -1.470 1.00 0.06 C ATOM 683 CD GLN A 42 8.056 -13.082 -2.764 1.00 0.57 C ATOM 684 OE1 GLN A 42 8.843 -12.213 -3.124 1.00 -0.57 O ATOM 685 NE2 GLN A 42 7.806 -14.177 -3.539 1.00 -0.80 N ATOM 0 H GLN A 42 8.220 -10.520 1.506 1.00 -0.73 H new ATOM 0 HA GLN A 42 5.742 -11.493 0.145 1.00 0.36 H new ATOM 0 HB2 GLN A 42 7.800 -11.014 -1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.679 -12.154 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.395 -14.015 -0.954 1.00 0.06 H new ATOM 0 HG3 GLN A 42 6.204 -12.965 -1.695 1.00 0.06 H new ATOM 0 HE21 GLN A 42 7.148 -14.888 -3.220 1.00 -0.80 H new ATOM 0 HE22 GLN A 42 8.278 -14.285 -4.437 1.00 -0.80 H new ATOM 694 N ASP A 43 5.521 -13.645 1.465 1.00 -0.73 N ATOM 695 CA ASP A 43 5.282 -14.796 2.346 1.00 0.36 C ATOM 696 C ASP A 43 5.650 -16.087 1.571 1.00 0.57 C ATOM 697 O ASP A 43 5.973 -17.135 2.125 1.00 -0.57 O ATOM 698 CB ASP A 43 3.826 -14.842 2.779 1.00 -0.11 C ATOM 699 CG ASP A 43 3.589 -13.732 3.763 1.00 0.91 C ATOM 700 OD1 ASP A 43 3.954 -13.928 4.961 1.00 -0.90 O ATOM 701 OD2 ASP A 43 3.032 -12.668 3.356 1.00 -0.90 O ATOM 0 H ASP A 43 4.780 -13.481 0.783 1.00 -0.73 H new ATOM 0 HA ASP A 43 5.896 -14.708 3.242 1.00 0.36 H new ATOM 0 HB2 ASP A 43 3.170 -14.730 1.916 1.00 -0.11 H new ATOM 0 HB3 ASP A 43 3.595 -15.806 3.232 1.00 -0.11 H new ATOM 706 N GLY A 44 5.447 -16.025 0.205 1.00 -0.73 N ATOM 707 CA GLY A 44 5.966 -17.045 -0.687 1.00 0.36 C ATOM 708 C GLY A 44 5.332 -16.790 -2.054 1.00 0.57 C ATOM 709 O GLY A 44 5.691 -15.863 -2.778 1.00 -0.57 O ATOM 0 H GLY A 44 4.932 -15.278 -0.262 1.00 -0.73 H new ATOM 0 HA2 GLY A 44 7.053 -16.991 -0.747 1.00 0.36 H new ATOM 0 HA3 GLY A 44 5.716 -18.042 -0.323 1.00 0.36 H new ATOM 713 N GLN A 45 4.211 -17.554 -2.296 1.00 -0.73 N ATOM 714 CA GLN A 45 3.243 -17.205 -3.352 1.00 0.36 C ATOM 715 C GLN A 45 2.263 -16.124 -2.811 1.00 0.57 C ATOM 716 O GLN A 45 1.497 -15.486 -3.536 1.00 -0.57 O ATOM 717 CB GLN A 45 2.456 -18.468 -3.735 1.00 0.00 C ATOM 718 CG GLN A 45 1.552 -18.307 -4.958 1.00 0.06 C ATOM 719 CD GLN A 45 2.311 -18.305 -6.264 1.00 0.57 C ATOM 720 OE1 GLN A 45 3.527 -18.205 -6.361 1.00 -0.57 O ATOM 721 NE2 GLN A 45 1.509 -18.411 -7.361 1.00 -0.80 N ATOM 0 H GLN A 45 3.975 -18.398 -1.773 1.00 -0.73 H new ATOM 0 HA GLN A 45 3.764 -16.814 -4.226 1.00 0.36 H new ATOM 0 HB2 GLN A 45 3.162 -19.277 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.845 -18.771 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.822 -19.116 -4.971 1.00 0.06 H new ATOM 0 HG3 GLN A 45 0.993 -17.375 -4.869 1.00 0.06 H new ATOM 0 HE21 GLN A 45 0.499 -18.493 -7.248 1.00 -0.80 H new ATOM 0 HE22 GLN A 45 1.919 -18.408 -8.295 1.00 -0.80 H new ATOM 730 N ASN A 46 2.212 -16.042 -1.432 1.00 -0.73 N ATOM 731 CA ASN A 46 1.442 -15.014 -0.756 1.00 0.36 C ATOM 732 C ASN A 46 2.372 -13.807 -0.563 1.00 0.57 C ATOM 733 O ASN A 46 3.600 -13.909 -0.515 1.00 -0.57 O ATOM 734 CB ASN A 46 0.939 -15.515 0.590 1.00 0.06 C ATOM 735 CG ASN A 46 -0.398 -16.167 0.429 1.00 0.57 C ATOM 736 OD1 ASN A 46 -1.445 -15.303 0.371 1.00 -0.57 O flip ATOM 737 ND2 ASN A 46 -0.547 -17.379 0.328 1.00 -0.80 N flip ATOM 0 H ASN A 46 2.700 -16.682 -0.806 1.00 -0.73 H new ATOM 0 HA ASN A 46 0.568 -14.741 -1.347 1.00 0.36 H new ATOM 0 HB2 ASN A 46 1.650 -16.225 1.011 1.00 0.06 H new ATOM 0 HB3 ASN A 46 0.865 -14.684 1.292 1.00 0.06 H new ATOM 0 HD21 ASN A 46 0.262 -17.998 0.376 1.00 -0.80 H new ATOM 0 HD22 ASN A 46 -1.480 -17.769 0.196 1.00 -0.80 H new ATOM 744 N PHE A 47 1.717 -12.620 -0.400 1.00 -0.73 N ATOM 745 CA PHE A 47 2.410 -11.350 -0.238 1.00 0.36 C ATOM 746 C PHE A 47 1.665 -10.546 0.826 1.00 0.57 C ATOM 747 O PHE A 47 0.447 -10.640 0.985 1.00 -0.57 O ATOM 748 CB PHE A 47 2.378 -10.524 -1.527 1.00 0.14 C ATOM 749 CG PHE A 47 3.489 -10.836 -2.496 1.00 -0.14 C ATOM 750 CD1 PHE A 47 3.413 -11.936 -3.358 1.00 -0.15 C ATOM 751 CD2 PHE A 47 4.607 -9.997 -2.559 1.00 -0.15 C ATOM 752 CE1 PHE A 47 4.433 -12.186 -4.275 1.00 -0.15 C ATOM 753 CE2 PHE A 47 5.616 -10.238 -3.488 1.00 -0.15 C ATOM 754 CZ PHE A 47 5.528 -11.328 -4.349 1.00 -0.15 C ATOM 0 H PHE A 47 0.700 -12.540 -0.380 1.00 -0.73 H new ATOM 0 HA PHE A 47 3.446 -11.554 0.032 1.00 0.36 H new ATOM 0 HB2 PHE A 47 1.422 -10.687 -2.025 1.00 0.14 H new ATOM 0 HB3 PHE A 47 2.426 -9.466 -1.267 1.00 0.14 H new ATOM 0 HD1 PHE A 47 2.559 -12.595 -3.313 1.00 -0.15 H new ATOM 0 HD2 PHE A 47 4.688 -9.158 -1.884 1.00 -0.15 H new ATOM 0 HE1 PHE A 47 4.374 -13.044 -4.928 1.00 -0.15 H new ATOM 0 HE2 PHE A 47 6.469 -9.578 -3.541 1.00 -0.15 H new ATOM 0 HZ PHE A 47 6.308 -11.508 -5.074 1.00 -0.15 H new ATOM 764 N THR A 48 2.457 -9.653 1.497 1.00 -0.73 N ATOM 765 CA THR A 48 1.958 -8.667 2.449 1.00 0.36 C ATOM 766 C THR A 48 2.630 -7.341 2.034 1.00 0.57 C ATOM 767 O THR A 48 3.745 -6.994 2.424 1.00 -0.57 O ATOM 768 CB THR A 48 2.327 -9.077 3.880 1.00 0.28 C ATOM 769 OG1 THR A 48 1.813 -10.381 4.208 1.00 -0.68 O ATOM 770 CG2 THR A 48 1.770 -8.107 4.915 1.00 0.00 C ATOM 0 H THR A 48 3.469 -9.616 1.374 1.00 -0.73 H new ATOM 0 HA THR A 48 0.872 -8.577 2.437 1.00 0.36 H new ATOM 0 HB THR A 48 3.417 -9.075 3.909 1.00 0.28 H new ATOM 0 HG1 THR A 48 1.480 -10.379 5.130 1.00 -0.68 H new ATOM 0 HG21 THR A 48 2.056 -8.437 5.914 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.172 -7.110 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.683 -8.079 4.840 1.00 0.00 H new ATOM 778 N TRP A 49 1.927 -6.660 1.065 1.00 -0.73 N ATOM 779 CA TRP A 49 2.363 -5.360 0.549 1.00 0.36 C ATOM 780 C TRP A 49 1.826 -4.279 1.507 1.00 0.57 C ATOM 781 O TRP A 49 0.795 -4.426 2.170 1.00 -0.57 O ATOM 782 CB TRP A 49 1.747 -5.128 -0.840 1.00 0.18 C ATOM 783 CG TRP A 49 2.600 -4.356 -1.804 1.00 -0.18 C ATOM 784 CD1 TRP A 49 2.735 -2.982 -1.886 1.00 -0.30 C ATOM 785 CD2 TRP A 49 3.354 -4.911 -2.896 1.00 0.00 C ATOM 786 NE1 TRP A 49 3.540 -2.691 -2.958 1.00 0.03 N ATOM 787 CE2 TRP A 49 3.887 -3.847 -3.620 1.00 -0.15 C ATOM 788 CE3 TRP A 49 3.595 -6.223 -3.362 1.00 -0.15 C ATOM 789 CZ2 TRP A 49 4.619 -4.029 -4.800 1.00 -0.15 C ATOM 790 CZ3 TRP A 49 4.341 -6.426 -4.531 1.00 -0.15 C ATOM 791 CH2 TRP A 49 4.847 -5.338 -5.235 1.00 -0.15 C ATOM 0 H TRP A 49 1.065 -7.007 0.644 1.00 -0.73 H new ATOM 0 HA TRP A 49 3.450 -5.324 0.476 1.00 0.36 H new ATOM 0 HB2 TRP A 49 1.516 -6.097 -1.282 1.00 0.18 H new ATOM 0 HB3 TRP A 49 0.801 -4.600 -0.715 1.00 0.18 H new ATOM 0 HD1 TRP A 49 2.284 -2.261 -1.220 1.00 -0.30 H new ATOM 0 HE1 TRP A 49 3.838 -1.753 -3.226 1.00 0.03 H new ATOM 0 HE3 TRP A 49 3.204 -7.070 -2.817 1.00 -0.15 H new ATOM 0 HZ2 TRP A 49 4.996 -3.184 -5.357 1.00 -0.15 H new ATOM 0 HZ3 TRP A 49 4.523 -7.429 -4.886 1.00 -0.15 H new ATOM 0 HH2 TRP A 49 5.425 -5.507 -6.132 1.00 -0.15 H new ATOM 802 N SER A 50 2.523 -3.099 1.493 1.00 -0.73 N ATOM 803 CA SER A 50 2.012 -1.901 2.144 1.00 0.36 C ATOM 804 C SER A 50 2.553 -0.667 1.416 1.00 0.57 C ATOM 805 O SER A 50 3.687 -0.628 0.946 1.00 -0.57 O ATOM 806 CB SER A 50 2.382 -1.813 3.627 1.00 0.28 C ATOM 807 OG SER A 50 1.488 -0.943 4.320 1.00 -0.68 O ATOM 0 H SER A 50 3.427 -2.977 1.037 1.00 -0.73 H new ATOM 0 HA SER A 50 0.924 -1.948 2.091 1.00 0.36 H new ATOM 0 HB2 SER A 50 2.350 -2.806 4.074 1.00 0.28 H new ATOM 0 HB3 SER A 50 3.404 -1.449 3.731 1.00 0.28 H new ATOM 0 HG SER A 50 0.780 -0.648 3.710 1.00 -0.68 H new ATOM 813 N GLN A 51 1.673 0.384 1.339 1.00 -0.73 N ATOM 814 CA GLN A 51 2.070 1.735 0.951 1.00 0.36 C ATOM 815 C GLN A 51 1.844 2.603 2.202 1.00 0.57 C ATOM 816 O GLN A 51 0.721 2.939 2.591 1.00 -0.57 O ATOM 817 CB GLN A 51 1.218 2.235 -0.219 1.00 0.00 C ATOM 818 CG GLN A 51 1.736 1.688 -1.548 1.00 0.06 C ATOM 819 CD GLN A 51 2.789 2.590 -2.142 1.00 0.57 C ATOM 820 OE1 GLN A 51 3.990 2.415 -1.972 1.00 -0.57 O ATOM 821 NE2 GLN A 51 2.320 3.640 -2.869 1.00 -0.80 N ATOM 0 H GLN A 51 0.679 0.294 1.548 1.00 -0.73 H new ATOM 0 HA GLN A 51 3.107 1.772 0.617 1.00 0.36 H new ATOM 0 HB2 GLN A 51 0.182 1.929 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.229 3.325 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.152 0.692 -1.396 1.00 0.06 H new ATOM 0 HG3 GLN A 51 0.907 1.584 -2.248 1.00 0.06 H new ATOM 0 HE21 GLN A 51 1.316 3.764 -2.996 1.00 -0.80 H new ATOM 0 HE22 GLN A 51 2.973 4.303 -3.287 1.00 -0.80 H new ATOM 830 N GLN A 52 2.991 2.837 2.926 1.00 -0.73 N ATOM 831 CA GLN A 52 2.995 3.648 4.126 1.00 0.36 C ATOM 832 C GLN A 52 3.318 5.108 3.760 1.00 0.57 C ATOM 833 O GLN A 52 3.943 5.447 2.757 1.00 -0.57 O ATOM 834 CB GLN A 52 3.952 3.103 5.182 1.00 0.00 C ATOM 835 CG GLN A 52 3.598 1.658 5.524 1.00 0.06 C ATOM 836 CD GLN A 52 4.150 1.194 6.846 1.00 0.57 C ATOM 837 OE1 GLN A 52 3.486 0.547 7.650 1.00 -0.57 O ATOM 838 NE2 GLN A 52 5.456 1.485 7.091 1.00 -0.80 N ATOM 0 H GLN A 52 3.905 2.462 2.673 1.00 -0.73 H new ATOM 0 HA GLN A 52 2.001 3.611 4.572 1.00 0.36 H new ATOM 0 HB2 GLN A 52 4.977 3.156 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.902 3.719 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.513 1.553 5.537 1.00 0.06 H new ATOM 0 HG3 GLN A 52 3.972 1.005 4.735 1.00 0.06 H new ATOM 0 HE21 GLN A 52 5.994 2.024 6.413 1.00 -0.80 H new ATOM 0 HE22 GLN A 52 5.897 1.164 7.953 1.00 -0.80 H new ATOM 847 N TYR A 53 2.806 6.028 4.650 1.00 -0.73 N ATOM 848 CA TYR A 53 2.286 7.307 4.136 1.00 0.36 C ATOM 849 C TYR A 53 2.375 8.284 5.320 1.00 0.57 C ATOM 850 O TYR A 53 1.507 8.315 6.199 1.00 -0.57 O ATOM 851 CB TYR A 53 0.842 7.039 3.664 1.00 0.14 C ATOM 852 CG TYR A 53 0.020 8.157 3.073 1.00 -0.14 C ATOM 853 CD1 TYR A 53 -0.633 9.079 3.901 1.00 -0.15 C ATOM 854 CD2 TYR A 53 -0.230 8.198 1.692 1.00 -0.15 C ATOM 855 CE1 TYR A 53 -1.538 9.998 3.370 1.00 -0.15 C ATOM 856 CE2 TYR A 53 -1.153 9.107 1.163 1.00 -0.15 C ATOM 857 CZ TYR A 53 -1.806 9.994 2.009 1.00 0.08 C ATOM 858 OH TYR A 53 -2.751 10.865 1.558 1.00 -0.53 O ATOM 0 H TYR A 53 2.752 5.903 5.661 1.00 -0.73 H new ATOM 0 HA TYR A 53 2.831 7.729 3.292 1.00 0.36 H new ATOM 0 HB2 TYR A 53 0.887 6.243 2.921 1.00 0.14 H new ATOM 0 HB3 TYR A 53 0.290 6.648 4.518 1.00 0.14 H new ATOM 0 HD1 TYR A 53 -0.434 9.078 4.962 1.00 -0.15 H new ATOM 0 HD2 TYR A 53 0.294 7.522 1.033 1.00 -0.15 H new ATOM 0 HE1 TYR A 53 -2.029 10.711 4.017 1.00 -0.15 H new ATOM 0 HE2 TYR A 53 -1.357 9.119 0.102 1.00 -0.15 H new ATOM 0 HH TYR A 53 -2.848 10.768 0.588 1.00 -0.53 H new ATOM 868 N PRO A 54 3.499 9.076 5.441 1.00 -0.66 N ATOM 869 CA PRO A 54 3.752 9.888 6.644 1.00 0.36 C ATOM 870 C PRO A 54 2.885 11.174 6.671 1.00 0.57 C ATOM 871 O PRO A 54 3.335 12.315 6.692 1.00 -0.57 O ATOM 872 CB PRO A 54 5.255 10.167 6.614 1.00 0.00 C ATOM 873 CG PRO A 54 5.607 10.086 5.135 1.00 0.00 C ATOM 874 CD PRO A 54 4.706 8.973 4.628 1.00 0.30 C ATOM 0 HA PRO A 54 3.469 9.372 7.562 1.00 0.36 H new ATOM 0 HB2 PRO A 54 5.489 11.148 7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.810 9.434 7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.412 11.028 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.661 9.852 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.482 9.096 3.568 1.00 0.30 H new ATOM 0 HD3 PRO A 54 5.179 7.997 4.742 1.00 0.30 H new ATOM 882 N GLY A 55 1.533 10.911 6.762 1.00 -0.73 N ATOM 883 CA GLY A 55 0.513 11.944 6.704 1.00 0.36 C ATOM 884 C GLY A 55 -0.763 11.500 7.434 1.00 0.57 C ATOM 885 O GLY A 55 -1.840 12.070 7.288 1.00 -0.57 O ATOM 0 H GLY A 55 1.155 9.970 6.877 1.00 -0.73 H new ATOM 0 HA2 GLY A 55 0.893 12.861 7.154 1.00 0.36 H new ATOM 0 HA3 GLY A 55 0.280 12.172 5.664 1.00 0.36 H new ATOM 889 N GLY A 56 -0.587 10.453 8.319 1.00 -0.73 N ATOM 890 CA GLY A 56 -1.618 10.076 9.272 1.00 0.36 C ATOM 891 C GLY A 56 -2.618 9.039 8.743 1.00 0.57 C ATOM 892 O GLY A 56 -3.636 8.725 9.361 1.00 -0.57 O ATOM 0 H GLY A 56 0.258 9.884 8.366 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -1.141 9.679 10.168 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.164 10.970 9.571 1.00 0.36 H new ATOM 896 N HIS A 57 -2.272 8.441 7.556 1.00 -0.73 N ATOM 897 CA HIS A 57 -3.001 7.299 6.986 1.00 0.36 C ATOM 898 C HIS A 57 -1.913 6.298 6.532 1.00 0.57 C ATOM 899 O HIS A 57 -0.718 6.544 6.698 1.00 -0.57 O ATOM 900 CB HIS A 57 -3.897 7.725 5.813 1.00 0.17 C ATOM 901 CG HIS A 57 -4.958 8.741 6.126 1.00 -0.07 C ATOM 902 ND1 HIS A 57 -5.520 8.900 7.411 1.00 -0.59 N ATOM 903 CD2 HIS A 57 -5.564 9.684 5.236 1.00 0.20 C ATOM 904 CE1 HIS A 57 -6.410 9.966 7.302 1.00 0.30 C ATOM 905 NE2 HIS A 57 -6.468 10.437 5.971 1.00 -0.15 N ATOM 0 H HIS A 57 -1.484 8.748 6.986 1.00 -0.73 H new ATOM 0 HA HIS A 57 -3.675 6.854 7.718 1.00 0.36 H new ATOM 0 HB2 HIS A 57 -3.261 8.125 5.024 1.00 0.17 H new ATOM 0 HB3 HIS A 57 -4.382 6.835 5.411 1.00 0.17 H new ATOM 0 HD1 HIS A 57 -5.317 8.349 8.245 1.00 -0.59 H new ATOM 0 HD2 HIS A 57 -5.355 9.790 4.182 1.00 0.20 H new ATOM 0 HE1 HIS A 57 -6.979 10.377 8.123 1.00 0.30 H new ATOM 914 N SER A 58 -2.326 5.126 5.966 1.00 -0.73 N ATOM 915 CA SER A 58 -1.428 4.113 5.357 1.00 0.36 C ATOM 916 C SER A 58 -2.340 3.008 4.797 1.00 0.57 C ATOM 917 O SER A 58 -3.524 2.942 5.133 1.00 -0.57 O ATOM 918 CB SER A 58 -0.376 3.547 6.323 1.00 0.28 C ATOM 919 OG SER A 58 0.745 4.446 6.442 1.00 -0.68 O ATOM 0 H SER A 58 -3.310 4.860 5.922 1.00 -0.73 H new ATOM 0 HA SER A 58 -0.833 4.582 4.574 1.00 0.36 H new ATOM 0 HB2 SER A 58 -0.825 3.386 7.303 1.00 0.28 H new ATOM 0 HB3 SER A 58 -0.033 2.576 5.966 1.00 0.28 H new ATOM 0 HG SER A 58 0.455 5.275 6.877 1.00 -0.68 H new ATOM 925 N ILE A 59 -1.768 2.162 3.877 1.00 -0.73 N ATOM 926 CA ILE A 59 -2.566 1.195 3.120 1.00 0.36 C ATOM 927 C ILE A 59 -1.775 -0.132 3.036 1.00 0.57 C ATOM 928 O ILE A 59 -0.842 -0.276 2.247 1.00 -0.57 O ATOM 929 CB ILE A 59 -2.872 1.704 1.677 1.00 0.00 C ATOM 930 CG1 ILE A 59 -3.480 3.124 1.665 1.00 0.00 C ATOM 931 CG2 ILE A 59 -3.792 0.703 0.963 1.00 0.00 C ATOM 932 CD1 ILE A 59 -3.703 3.683 0.265 1.00 0.00 C ATOM 0 H ILE A 59 -0.771 2.147 3.660 1.00 -0.73 H new ATOM 0 HA ILE A 59 -3.518 1.052 3.632 1.00 0.36 H new ATOM 0 HB ILE A 59 -1.926 1.774 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.432 3.107 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.821 3.796 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.005 1.060 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.300 -0.268 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.725 0.606 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.132 4.683 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.751 3.734 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.386 3.033 -0.282 1.00 0.00 H new ATOM 944 N THR A 60 -2.172 -1.104 3.924 1.00 -0.73 N ATOM 945 CA THR A 60 -1.639 -2.481 3.882 1.00 0.36 C ATOM 946 C THR A 60 -2.534 -3.317 2.938 1.00 0.57 C ATOM 947 O THR A 60 -3.707 -3.019 2.706 1.00 -0.57 O ATOM 948 CB THR A 60 -1.640 -3.123 5.293 1.00 0.28 C ATOM 949 OG1 THR A 60 -1.173 -2.176 6.270 1.00 -0.68 O ATOM 950 CG2 THR A 60 -0.745 -4.355 5.394 1.00 0.00 C ATOM 0 H THR A 60 -2.854 -0.945 4.665 1.00 -0.73 H new ATOM 0 HA THR A 60 -0.610 -2.456 3.523 1.00 0.36 H new ATOM 0 HB THR A 60 -2.671 -3.423 5.479 1.00 0.28 H new ATOM 0 HG1 THR A 60 -1.179 -2.592 7.158 1.00 -0.68 H new ATOM 0 HG21 THR A 60 -0.791 -4.756 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.087 -5.112 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.283 -4.078 5.160 1.00 0.00 H new ATOM 958 N ASN A 61 -1.958 -4.458 2.426 1.00 -0.73 N ATOM 959 CA ASN A 61 -2.698 -5.410 1.593 1.00 0.36 C ATOM 960 C ASN A 61 -1.969 -6.765 1.629 1.00 0.57 C ATOM 961 O ASN A 61 -0.817 -6.899 1.211 1.00 -0.57 O ATOM 962 CB ASN A 61 -2.773 -4.951 0.137 1.00 0.06 C ATOM 963 CG ASN A 61 -4.189 -4.747 -0.341 1.00 0.57 C ATOM 964 OD1 ASN A 61 -4.595 -5.224 -1.397 1.00 -0.57 O ATOM 965 ND2 ASN A 61 -4.982 -3.936 0.406 1.00 -0.80 N ATOM 0 H ASN A 61 -0.985 -4.719 2.589 1.00 -0.73 H new ATOM 0 HA ASN A 61 -3.712 -5.486 1.986 1.00 0.36 H new ATOM 0 HB2 ASN A 61 -2.219 -4.019 0.026 1.00 0.06 H new ATOM 0 HB3 ASN A 61 -2.283 -5.690 -0.497 1.00 0.06 H new ATOM 0 HD21 ASN A 61 -5.927 -3.717 0.092 1.00 -0.80 H new ATOM 0 HD22 ASN A 61 -4.632 -3.546 1.281 1.00 -0.80 H new ATOM 972 N THR A 62 -2.690 -7.799 2.183 1.00 -0.73 N ATOM 973 CA THR A 62 -2.243 -9.189 2.030 1.00 0.36 C ATOM 974 C THR A 62 -2.942 -9.723 0.771 1.00 0.57 C ATOM 975 O THR A 62 -4.132 -9.506 0.544 1.00 -0.57 O ATOM 976 CB THR A 62 -2.586 -10.036 3.270 1.00 0.28 C ATOM 977 OG1 THR A 62 -1.830 -9.572 4.402 1.00 -0.68 O ATOM 978 CG2 THR A 62 -2.297 -11.526 3.107 1.00 0.00 C ATOM 0 H THR A 62 -3.551 -7.681 2.718 1.00 -0.73 H new ATOM 0 HA THR A 62 -1.159 -9.243 1.931 1.00 0.36 H new ATOM 0 HB THR A 62 -3.660 -9.917 3.413 1.00 0.28 H new ATOM 0 HG1 THR A 62 -2.053 -10.113 5.188 1.00 -0.68 H new ATOM 0 HG21 THR A 62 -2.566 -12.051 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.883 -11.922 2.277 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.236 -11.671 2.904 1.00 0.00 H new ATOM 986 N PHE A 63 -2.156 -10.467 -0.076 1.00 -0.73 N ATOM 987 CA PHE A 63 -2.679 -11.010 -1.329 1.00 0.36 C ATOM 988 C PHE A 63 -1.970 -12.342 -1.666 1.00 0.57 C ATOM 989 O PHE A 63 -1.006 -12.771 -1.028 1.00 -0.57 O ATOM 990 CB PHE A 63 -2.702 -9.973 -2.467 1.00 0.14 C ATOM 991 CG PHE A 63 -1.382 -9.526 -3.050 1.00 -0.14 C ATOM 992 CD1 PHE A 63 -0.654 -10.377 -3.897 1.00 -0.15 C ATOM 993 CD2 PHE A 63 -0.919 -8.220 -2.864 1.00 -0.15 C ATOM 994 CE1 PHE A 63 0.479 -9.928 -4.575 1.00 -0.15 C ATOM 995 CE2 PHE A 63 0.222 -7.774 -3.539 1.00 -0.15 C ATOM 996 CZ PHE A 63 0.914 -8.624 -4.398 1.00 -0.15 C ATOM 0 H PHE A 63 -1.177 -10.689 0.103 1.00 -0.73 H new ATOM 0 HA PHE A 63 -3.734 -11.251 -1.197 1.00 0.36 H new ATOM 0 HB2 PHE A 63 -3.303 -10.382 -3.279 1.00 0.14 H new ATOM 0 HB3 PHE A 63 -3.221 -9.088 -2.101 1.00 0.14 H new ATOM 0 HD1 PHE A 63 -0.978 -11.399 -4.026 1.00 -0.15 H new ATOM 0 HD2 PHE A 63 -1.444 -7.553 -2.197 1.00 -0.15 H new ATOM 0 HE1 PHE A 63 1.015 -10.594 -5.235 1.00 -0.15 H new ATOM 0 HE2 PHE A 63 0.569 -6.762 -3.393 1.00 -0.15 H new ATOM 0 HZ PHE A 63 1.787 -8.268 -4.925 1.00 -0.15 H new ATOM 1006 N THR A 64 -2.535 -13.056 -2.702 1.00 -0.73 N ATOM 1007 CA THR A 64 -1.968 -14.313 -3.225 1.00 0.36 C ATOM 1008 C THR A 64 -1.905 -14.223 -4.756 1.00 0.57 C ATOM 1009 O THR A 64 -2.842 -13.763 -5.409 1.00 -0.57 O ATOM 1010 CB THR A 64 -2.851 -15.528 -2.855 1.00 0.28 C ATOM 1011 OG1 THR A 64 -3.433 -15.370 -1.552 1.00 -0.68 O ATOM 1012 CG2 THR A 64 -2.057 -16.829 -2.867 1.00 0.00 C ATOM 0 H THR A 64 -3.387 -12.763 -3.180 1.00 -0.73 H new ATOM 0 HA THR A 64 -0.979 -14.449 -2.788 1.00 0.36 H new ATOM 0 HB THR A 64 -3.636 -15.576 -3.610 1.00 0.28 H new ATOM 0 HG1 THR A 64 -2.731 -15.428 -0.871 1.00 -0.68 H new ATOM 0 HG21 THR A 64 -2.713 -17.658 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.646 -16.995 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.243 -16.765 -2.145 1.00 0.00 H new ATOM 1020 N ILE A 65 -0.758 -14.706 -5.338 1.00 -0.73 N ATOM 1021 CA ILE A 65 -0.597 -14.762 -6.794 1.00 0.36 C ATOM 1022 C ILE A 65 -1.206 -16.075 -7.334 1.00 0.57 C ATOM 1023 O ILE A 65 -1.036 -17.163 -6.785 1.00 -0.57 O ATOM 1024 CB ILE A 65 0.901 -14.638 -7.181 1.00 0.00 C ATOM 1025 CG1 ILE A 65 1.380 -13.205 -6.843 1.00 0.00 C ATOM 1026 CG2 ILE A 65 1.171 -15.007 -8.645 1.00 0.00 C ATOM 1027 CD1 ILE A 65 2.672 -12.767 -7.508 1.00 0.00 C ATOM 0 H ILE A 65 0.045 -15.052 -4.812 1.00 -0.73 H new ATOM 0 HA ILE A 65 -1.126 -13.923 -7.246 1.00 0.36 H new ATOM 0 HB ILE A 65 1.474 -15.360 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.594 -12.504 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.505 -13.129 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.235 -14.901 -8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.867 -16.039 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.604 -14.344 -9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.912 -11.749 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.479 -13.436 -7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.553 -12.801 -8.591 1.00 0.00 H new ATOM 1039 N GLY A 66 -1.874 -15.938 -8.537 1.00 -0.73 N ATOM 1040 CA GLY A 66 -2.501 -17.082 -9.183 1.00 0.36 C ATOM 1041 C GLY A 66 -3.873 -17.395 -8.594 1.00 0.57 C ATOM 1042 O GLY A 66 -4.319 -18.538 -8.525 1.00 -0.57 O ATOM 0 H GLY A 66 -1.973 -15.057 -9.042 1.00 -0.73 H new ATOM 0 HA2 GLY A 66 -2.602 -16.884 -10.250 1.00 0.36 H new ATOM 0 HA3 GLY A 66 -1.856 -17.954 -9.080 1.00 0.36 H new ATOM 1046 N LYS A 67 -4.619 -16.288 -8.261 1.00 -0.73 N ATOM 1047 CA LYS A 67 -5.851 -16.404 -7.498 1.00 0.36 C ATOM 1048 C LYS A 67 -6.654 -15.108 -7.733 1.00 0.57 C ATOM 1049 O LYS A 67 -6.133 -14.084 -8.187 1.00 -0.57 O ATOM 1050 CB LYS A 67 -5.506 -16.542 -6.001 1.00 0.00 C ATOM 1051 CG LYS A 67 -6.508 -17.411 -5.241 1.00 0.00 C ATOM 1052 CD LYS A 67 -6.478 -17.125 -3.736 1.00 0.00 C ATOM 1053 CE LYS A 67 -7.757 -17.554 -3.026 1.00 0.50 C ATOM 1054 NZ LYS A 67 -8.880 -16.717 -3.454 1.00 -0.85 N ATOM 0 H LYS A 67 -4.369 -15.333 -8.518 1.00 -0.73 H new ATOM 0 HA LYS A 67 -6.429 -17.275 -7.806 1.00 0.36 H new ATOM 0 HB2 LYS A 67 -4.509 -16.972 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.473 -15.551 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.512 -17.231 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.284 -18.463 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.629 -17.643 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.320 -16.058 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.970 -18.600 -3.246 1.00 0.50 H new ATOM 0 HE3 LYS A 67 -7.626 -17.475 -1.947 1.00 0.50 H new ATOM 0 HZ1 LYS A 67 -9.637 -16.761 -2.742 1.00 -0.85 H new ATOM 0 HZ2 LYS A 67 -8.560 -15.733 -3.559 1.00 -0.85 H new ATOM 0 HZ3 LYS A 67 -9.242 -17.062 -4.366 1.00 -0.85 H new ATOM 1068 N GLU A 68 -7.974 -15.130 -7.332 1.00 -0.73 N ATOM 1069 CA GLU A 68 -8.620 -13.885 -6.964 1.00 0.36 C ATOM 1070 C GLU A 68 -8.361 -13.607 -5.463 1.00 0.57 C ATOM 1071 O GLU A 68 -8.206 -14.497 -4.624 1.00 -0.57 O ATOM 1072 CB GLU A 68 -10.108 -13.824 -7.333 1.00 0.00 C ATOM 1073 CG GLU A 68 -10.905 -15.125 -7.214 1.00 -0.11 C ATOM 1074 CD GLU A 68 -10.855 -15.662 -5.805 1.00 0.91 C ATOM 1075 OE1 GLU A 68 -11.580 -15.086 -4.946 1.00 -0.90 O ATOM 1076 OE2 GLU A 68 -10.028 -16.604 -5.599 1.00 -0.90 O ATOM 0 H GLU A 68 -8.556 -15.965 -7.268 1.00 -0.73 H new ATOM 0 HA GLU A 68 -8.174 -13.087 -7.557 1.00 0.36 H new ATOM 0 HB2 GLU A 68 -10.584 -13.075 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.188 -13.470 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.941 -14.949 -7.503 1.00 -0.11 H new ATOM 0 HG3 GLU A 68 -10.503 -15.867 -7.904 1.00 -0.11 H new ATOM 1083 N CYS A 69 -8.321 -12.279 -5.129 1.00 -0.73 N ATOM 1084 CA CYS A 69 -8.380 -11.811 -3.746 1.00 0.36 C ATOM 1085 C CYS A 69 -9.541 -10.807 -3.670 1.00 0.57 C ATOM 1086 O CYS A 69 -9.978 -10.226 -4.665 1.00 -0.57 O ATOM 1087 CB CYS A 69 -7.069 -11.192 -3.252 1.00 0.23 C ATOM 1088 SG CYS A 69 -5.716 -12.425 -3.251 1.00 -0.41 S ATOM 0 H CYS A 69 -8.248 -11.529 -5.816 1.00 -0.73 H new ATOM 0 HA CYS A 69 -8.542 -12.661 -3.083 1.00 0.36 H new ATOM 0 HB2 CYS A 69 -6.798 -10.351 -3.890 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -7.206 -10.798 -2.245 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.155 -13.551 -3.731 1.00 -0.41 H new ATOM 1094 N ASP A 70 -10.054 -10.655 -2.406 1.00 -0.73 N ATOM 1095 CA ASP A 70 -11.090 -9.665 -2.098 1.00 0.36 C ATOM 1096 C ASP A 70 -10.337 -8.393 -1.687 1.00 0.57 C ATOM 1097 O ASP A 70 -9.230 -8.453 -1.149 1.00 -0.57 O ATOM 1098 CB ASP A 70 -11.990 -10.137 -0.972 1.00 -0.11 C ATOM 1099 CG ASP A 70 -13.040 -11.019 -1.598 1.00 0.91 C ATOM 1100 OD1 ASP A 70 -12.674 -12.136 -2.066 1.00 -0.90 O ATOM 1101 OD2 ASP A 70 -14.220 -10.557 -1.593 1.00 -0.90 O ATOM 0 H ASP A 70 -9.756 -11.211 -1.604 1.00 -0.73 H new ATOM 0 HA ASP A 70 -11.739 -9.496 -2.957 1.00 0.36 H new ATOM 0 HB2 ASP A 70 -11.418 -10.687 -0.224 1.00 -0.11 H new ATOM 0 HB3 ASP A 70 -12.449 -9.290 -0.463 1.00 -0.11 H new ATOM 1106 N ILE A 71 -10.973 -7.216 -2.002 1.00 -0.73 N ATOM 1107 CA ILE A 71 -10.400 -5.912 -1.703 1.00 0.36 C ATOM 1108 C ILE A 71 -11.562 -4.948 -1.345 1.00 0.57 C ATOM 1109 O ILE A 71 -12.557 -4.802 -2.062 1.00 -0.57 O ATOM 1110 CB ILE A 71 -9.646 -5.320 -2.926 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.593 -6.256 -3.565 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -9.016 -3.970 -2.565 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -7.312 -6.431 -2.763 1.00 0.00 C ATOM 0 H ILE A 71 -11.882 -7.173 -2.463 1.00 -0.73 H new ATOM 0 HA ILE A 71 -9.692 -6.026 -0.882 1.00 0.36 H new ATOM 0 HB ILE A 71 -10.409 -5.187 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.045 -7.236 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.336 -5.868 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.492 -3.569 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.797 -3.274 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.310 -4.105 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.639 -7.104 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.829 -5.463 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.549 -6.852 -1.786 1.00 0.00 H new ATOM 1125 N GLU A 72 -11.351 -4.196 -0.212 1.00 -0.73 N ATOM 1126 CA GLU A 72 -12.372 -3.335 0.348 1.00 0.36 C ATOM 1127 C GLU A 72 -11.759 -1.936 0.548 1.00 0.57 C ATOM 1128 O GLU A 72 -10.567 -1.660 0.419 1.00 -0.57 O ATOM 1129 CB GLU A 72 -12.885 -3.859 1.708 1.00 0.00 C ATOM 1130 CG GLU A 72 -13.834 -5.039 1.592 1.00 -0.11 C ATOM 1131 CD GLU A 72 -13.215 -6.354 1.156 1.00 0.91 C ATOM 1132 OE1 GLU A 72 -11.981 -6.489 1.346 1.00 -0.90 O ATOM 1133 OE2 GLU A 72 -14.040 -7.172 0.641 1.00 -0.90 O ATOM 0 H GLU A 72 -10.473 -4.192 0.307 1.00 -0.73 H new ATOM 0 HA GLU A 72 -13.219 -3.307 -0.337 1.00 0.36 H new ATOM 0 HB2 GLU A 72 -12.031 -4.150 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.391 -3.048 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.314 -5.190 2.559 1.00 -0.11 H new ATOM 0 HG3 GLU A 72 -14.620 -4.778 0.883 1.00 -0.11 H new ATOM 1140 N THR A 73 -12.664 -0.989 0.962 1.00 -0.73 N ATOM 1141 CA THR A 73 -12.320 0.251 1.655 1.00 0.36 C ATOM 1142 C THR A 73 -11.928 1.415 0.724 1.00 0.57 C ATOM 1143 O THR A 73 -12.315 2.569 0.939 1.00 -0.57 O ATOM 1144 CB THR A 73 -11.270 0.124 2.793 1.00 0.28 C ATOM 1145 OG1 THR A 73 -9.931 -0.057 2.331 1.00 -0.68 O ATOM 1146 CG2 THR A 73 -11.593 -0.959 3.813 1.00 0.00 C ATOM 0 H THR A 73 -13.667 -1.091 0.809 1.00 -0.73 H new ATOM 0 HA THR A 73 -13.272 0.491 2.129 1.00 0.36 H new ATOM 0 HB THR A 73 -11.334 1.093 3.288 1.00 0.28 H new ATOM 0 HG1 THR A 73 -9.938 -0.588 1.507 1.00 -0.68 H new ATOM 0 HG21 THR A 73 -10.814 -0.985 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.552 -0.742 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.644 -1.926 3.313 1.00 0.00 H new ATOM 1154 N ILE A 74 -11.049 1.121 -0.294 1.00 -0.73 N ATOM 1155 CA ILE A 74 -10.295 2.169 -0.986 1.00 0.36 C ATOM 1156 C ILE A 74 -11.266 2.842 -2.005 1.00 0.57 C ATOM 1157 O ILE A 74 -11.380 2.540 -3.194 1.00 -0.57 O ATOM 1158 CB ILE A 74 -8.985 1.618 -1.602 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -8.032 1.022 -0.529 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -8.224 2.680 -2.407 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.603 1.985 0.574 1.00 0.00 C ATOM 0 H ILE A 74 -10.864 0.176 -0.631 1.00 -0.73 H new ATOM 0 HA ILE A 74 -9.946 2.935 -0.293 1.00 0.36 H new ATOM 0 HB ILE A 74 -9.300 0.822 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.522 0.164 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.139 0.648 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.314 2.243 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.853 3.039 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.964 3.514 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.940 1.470 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.078 2.833 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.484 2.342 1.109 1.00 0.00 H new ATOM 1173 N GLY A 75 -12.045 3.819 -1.412 1.00 -0.73 N ATOM 1174 CA GLY A 75 -13.149 4.484 -2.080 1.00 0.36 C ATOM 1175 C GLY A 75 -14.494 3.762 -1.905 1.00 0.57 C ATOM 1176 O GLY A 75 -15.435 3.969 -2.670 1.00 -0.57 O ATOM 0 H GLY A 75 -11.896 4.142 -0.456 1.00 -0.73 H new ATOM 0 HA2 GLY A 75 -13.238 5.500 -1.695 1.00 0.36 H new ATOM 0 HA3 GLY A 75 -12.924 4.565 -3.144 1.00 0.36 H new ATOM 1180 N GLY A 76 -14.601 2.938 -0.802 1.00 -0.73 N ATOM 1181 CA GLY A 76 -15.921 2.568 -0.308 1.00 0.36 C ATOM 1182 C GLY A 76 -16.658 1.491 -1.114 1.00 0.57 C ATOM 1183 O GLY A 76 -17.859 1.282 -0.962 1.00 -0.57 O ATOM 0 H GLY A 76 -13.814 2.550 -0.282 1.00 -0.73 H new ATOM 0 HA2 GLY A 76 -15.819 2.220 0.720 1.00 0.36 H new ATOM 0 HA3 GLY A 76 -16.542 3.463 -0.281 1.00 0.36 H new ATOM 1187 N LYS A 77 -15.864 0.718 -1.934 1.00 -0.73 N ATOM 1188 CA LYS A 77 -16.414 -0.443 -2.615 1.00 0.36 C ATOM 1189 C LYS A 77 -15.955 -1.711 -1.859 1.00 0.57 C ATOM 1190 O LYS A 77 -15.084 -1.690 -0.989 1.00 -0.57 O ATOM 1191 CB LYS A 77 -15.977 -0.548 -4.089 1.00 0.00 C ATOM 1192 CG LYS A 77 -15.802 0.780 -4.831 1.00 0.00 C ATOM 1193 CD LYS A 77 -14.340 1.228 -4.811 1.00 0.00 C ATOM 1194 CE LYS A 77 -14.150 2.571 -5.491 1.00 0.50 C ATOM 1195 NZ LYS A 77 -12.712 2.868 -5.545 1.00 -0.85 N ATOM 0 H LYS A 77 -14.876 0.895 -2.116 1.00 -0.73 H new ATOM 0 HA LYS A 77 -17.499 -0.341 -2.616 1.00 0.36 H new ATOM 0 HB2 LYS A 77 -15.033 -1.092 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.714 -1.147 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.139 0.672 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.427 1.544 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.994 1.291 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.724 0.479 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.570 2.549 -6.497 1.00 0.50 H new ATOM 0 HE3 LYS A 77 -14.677 3.351 -4.942 1.00 0.50 H new ATOM 0 HZ1 LYS A 77 -12.573 3.893 -5.650 1.00 -0.85 H new ATOM 0 HZ2 LYS A 77 -12.258 2.545 -4.667 1.00 -0.85 H new ATOM 0 HZ3 LYS A 77 -12.286 2.376 -6.356 1.00 -0.85 H new ATOM 1209 N LYS A 78 -16.577 -2.848 -2.311 1.00 -0.73 N ATOM 1210 CA LYS A 78 -16.192 -4.217 -1.955 1.00 0.36 C ATOM 1211 C LYS A 78 -15.997 -4.889 -3.328 1.00 0.57 C ATOM 1212 O LYS A 78 -16.950 -5.218 -4.035 1.00 -0.57 O ATOM 1213 CB LYS A 78 -17.336 -4.842 -1.153 1.00 0.00 C ATOM 1214 CG LYS A 78 -17.034 -6.202 -0.519 1.00 0.00 C ATOM 1215 CD LYS A 78 -16.855 -7.361 -1.503 1.00 0.00 C ATOM 1216 CE LYS A 78 -16.798 -8.708 -0.790 1.00 0.50 C ATOM 1217 NZ LYS A 78 -15.482 -8.951 -0.225 1.00 -0.85 N ATOM 0 H LYS A 78 -17.375 -2.815 -2.946 1.00 -0.73 H new ATOM 0 HA LYS A 78 -15.298 -4.307 -1.338 1.00 0.36 H new ATOM 0 HB2 LYS A 78 -17.623 -4.148 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.199 -4.951 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -16.127 -6.112 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.844 -6.452 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.679 -7.362 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.939 -7.214 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.547 -8.735 0.002 1.00 0.50 H new ATOM 0 HE3 LYS A 78 -17.048 -9.504 -1.492 1.00 0.50 H new ATOM 0 HZ1 LYS A 78 -15.582 -9.411 0.702 1.00 -0.85 H new ATOM 0 HZ2 LYS A 78 -14.940 -9.569 -0.861 1.00 -0.85 H new ATOM 0 HZ3 LYS A 78 -14.981 -8.047 -0.111 1.00 -0.85 H new ATOM 1231 N PHE A 79 -14.701 -4.920 -3.783 1.00 -0.73 N ATOM 1232 CA PHE A 79 -14.343 -5.567 -5.046 1.00 0.36 C ATOM 1233 C PHE A 79 -13.735 -6.955 -4.758 1.00 0.57 C ATOM 1234 O PHE A 79 -13.106 -7.204 -3.731 1.00 -0.57 O ATOM 1235 CB PHE A 79 -13.291 -4.729 -5.804 1.00 0.14 C ATOM 1236 CG PHE A 79 -13.840 -3.830 -6.895 1.00 -0.14 C ATOM 1237 CD1 PHE A 79 -14.999 -3.066 -6.715 1.00 -0.15 C ATOM 1238 CD2 PHE A 79 -13.149 -3.721 -8.112 1.00 -0.15 C ATOM 1239 CE1 PHE A 79 -15.467 -2.227 -7.729 1.00 -0.15 C ATOM 1240 CE2 PHE A 79 -13.615 -2.881 -9.125 1.00 -0.15 C ATOM 1241 CZ PHE A 79 -14.774 -2.135 -8.934 1.00 -0.15 C ATOM 0 H PHE A 79 -13.914 -4.504 -3.285 1.00 -0.73 H new ATOM 0 HA PHE A 79 -15.244 -5.659 -5.652 1.00 0.36 H new ATOM 0 HB2 PHE A 79 -12.755 -4.112 -5.083 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -12.562 -5.407 -6.248 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -15.538 -3.126 -5.781 1.00 -0.15 H new ATOM 0 HD2 PHE A 79 -12.246 -4.294 -8.266 1.00 -0.15 H new ATOM 0 HE1 PHE A 79 -16.367 -1.649 -7.579 1.00 -0.15 H new ATOM 0 HE2 PHE A 79 -13.075 -2.810 -10.058 1.00 -0.15 H new ATOM 0 HZ PHE A 79 -15.135 -1.486 -9.718 1.00 -0.15 H new ATOM 1251 N LYS A 80 -13.847 -7.866 -5.793 1.00 -0.73 N ATOM 1252 CA LYS A 80 -12.808 -8.872 -5.972 1.00 0.36 C ATOM 1253 C LYS A 80 -11.852 -8.363 -7.069 1.00 0.57 C ATOM 1254 O LYS A 80 -12.172 -7.503 -7.891 1.00 -0.57 O ATOM 1255 CB LYS A 80 -13.387 -10.227 -6.385 1.00 0.00 C ATOM 1256 CG LYS A 80 -13.636 -11.121 -5.168 1.00 0.00 C ATOM 1257 CD LYS A 80 -14.177 -12.481 -5.604 1.00 0.00 C ATOM 1258 CE LYS A 80 -14.519 -13.415 -4.449 1.00 0.50 C ATOM 1259 NZ LYS A 80 -13.334 -13.819 -3.704 1.00 -0.85 N ATOM 0 H LYS A 80 -14.614 -7.901 -6.465 1.00 -0.73 H new ATOM 0 HA LYS A 80 -12.289 -9.021 -5.025 1.00 0.36 H new ATOM 0 HB2 LYS A 80 -14.322 -10.076 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.700 -10.725 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.708 -11.254 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.346 -10.640 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.070 -12.327 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.439 -12.966 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.218 -12.918 -3.776 1.00 0.50 H new ATOM 0 HE3 LYS A 80 -15.023 -14.300 -4.836 1.00 0.50 H new ATOM 0 HZ1 LYS A 80 -13.576 -14.602 -3.064 1.00 -0.85 H new ATOM 0 HZ2 LYS A 80 -12.596 -14.130 -4.368 1.00 -0.85 H new ATOM 0 HZ3 LYS A 80 -12.983 -13.014 -3.147 1.00 -0.85 H new ATOM 1273 N ALA A 81 -10.641 -9.005 -7.086 1.00 -0.73 N ATOM 1274 CA ALA A 81 -9.621 -8.728 -8.075 1.00 0.36 C ATOM 1275 C ALA A 81 -8.872 -10.032 -8.359 1.00 0.57 C ATOM 1276 O ALA A 81 -8.591 -10.827 -7.463 1.00 -0.57 O ATOM 1277 CB ALA A 81 -8.638 -7.685 -7.562 1.00 0.00 C ATOM 0 H ALA A 81 -10.375 -9.719 -6.407 1.00 -0.73 H new ATOM 0 HA ALA A 81 -10.088 -8.339 -8.980 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -7.881 -7.493 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.171 -6.761 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.157 -8.053 -6.656 1.00 0.00 H new ATOM 1283 N THR A 82 -8.503 -10.214 -9.673 1.00 -0.73 N ATOM 1284 CA THR A 82 -7.550 -11.262 -10.034 1.00 0.36 C ATOM 1285 C THR A 82 -6.143 -10.719 -9.745 1.00 0.57 C ATOM 1286 O THR A 82 -5.824 -9.547 -9.960 1.00 -0.57 O ATOM 1287 CB THR A 82 -7.615 -11.700 -11.514 1.00 0.28 C ATOM 1288 OG1 THR A 82 -8.061 -10.658 -12.391 1.00 -0.68 O ATOM 1289 CG2 THR A 82 -8.556 -12.885 -11.695 1.00 0.00 C ATOM 0 H THR A 82 -8.850 -9.658 -10.455 1.00 -0.73 H new ATOM 0 HA THR A 82 -7.800 -12.146 -9.447 1.00 0.36 H new ATOM 0 HB THR A 82 -6.592 -11.969 -11.776 1.00 0.28 H new ATOM 0 HG1 THR A 82 -7.851 -9.786 -11.996 1.00 -0.68 H new ATOM 0 HG21 THR A 82 -8.582 -13.172 -12.746 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.202 -13.726 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.558 -12.607 -11.370 1.00 0.00 H new ATOM 1297 N VAL A 83 -5.265 -11.652 -9.249 1.00 -0.73 N ATOM 1298 CA VAL A 83 -3.942 -11.280 -8.771 1.00 0.36 C ATOM 1299 C VAL A 83 -2.981 -12.357 -9.309 1.00 0.57 C ATOM 1300 O VAL A 83 -3.188 -13.570 -9.237 1.00 -0.57 O ATOM 1301 CB VAL A 83 -3.903 -11.168 -7.242 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -2.509 -10.772 -6.770 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -4.911 -10.144 -6.708 1.00 0.00 C ATOM 0 H VAL A 83 -5.472 -12.649 -9.182 1.00 -0.73 H new ATOM 0 HA VAL A 83 -3.651 -10.292 -9.129 1.00 0.36 H new ATOM 0 HB VAL A 83 -4.169 -12.151 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.501 -10.697 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.789 -11.527 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.239 -9.808 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.845 -10.101 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.687 -9.162 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.919 -10.440 -6.999 1.00 0.00 H new ATOM 1313 N GLN A 84 -1.873 -11.842 -9.937 1.00 -0.73 N ATOM 1314 CA GLN A 84 -1.165 -12.581 -10.968 1.00 0.36 C ATOM 1315 C GLN A 84 0.303 -12.122 -11.003 1.00 0.57 C ATOM 1316 O GLN A 84 0.719 -11.091 -10.475 1.00 -0.57 O ATOM 1317 CB GLN A 84 -1.827 -12.324 -12.336 1.00 0.00 C ATOM 1318 CG GLN A 84 -2.924 -13.320 -12.706 1.00 0.06 C ATOM 1319 CD GLN A 84 -3.971 -12.700 -13.620 1.00 0.57 C ATOM 1320 OE1 GLN A 84 -4.047 -11.508 -13.904 1.00 -0.57 O ATOM 1321 NE2 GLN A 84 -4.889 -13.588 -14.097 1.00 -0.80 N ATOM 0 H GLN A 84 -1.477 -10.925 -9.730 1.00 -0.73 H new ATOM 0 HA GLN A 84 -1.206 -13.648 -10.748 1.00 0.36 H new ATOM 0 HB2 GLN A 84 -2.250 -11.320 -12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.058 -12.347 -13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.478 -14.184 -13.199 1.00 0.06 H new ATOM 0 HG3 GLN A 84 -3.405 -13.684 -11.798 1.00 0.06 H new ATOM 0 HE21 GLN A 84 -4.816 -14.576 -13.855 1.00 -0.80 H new ATOM 0 HE22 GLN A 84 -5.648 -13.264 -14.696 1.00 -0.80 H new ATOM 1330 N MET A 85 1.107 -12.973 -11.721 1.00 -0.73 N ATOM 1331 CA MET A 85 2.430 -12.577 -12.189 1.00 0.36 C ATOM 1332 C MET A 85 2.290 -12.571 -13.724 1.00 0.57 C ATOM 1333 O MET A 85 1.901 -13.553 -14.354 1.00 -0.57 O ATOM 1334 CB MET A 85 3.482 -13.571 -11.696 1.00 0.00 C ATOM 1335 CG MET A 85 4.824 -12.883 -11.462 1.00 0.23 C ATOM 1336 SD MET A 85 6.045 -14.074 -10.835 1.00 -0.46 S ATOM 1337 CE MET A 85 7.401 -12.921 -10.502 1.00 0.23 C ATOM 0 H MET A 85 0.841 -13.925 -11.974 1.00 -0.73 H new ATOM 0 HA MET A 85 2.758 -11.607 -11.816 1.00 0.36 H new ATOM 0 HB2 MET A 85 3.142 -14.035 -10.770 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.603 -14.370 -12.428 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.181 -12.442 -12.393 1.00 0.23 H new ATOM 0 HG3 MET A 85 4.702 -12.068 -10.749 1.00 0.23 H new ATOM 0 HE1 MET A 85 8.255 -13.469 -10.105 1.00 0.23 H new ATOM 0 HE2 MET A 85 7.689 -12.421 -11.427 1.00 0.23 H new ATOM 0 HE3 MET A 85 7.076 -12.178 -9.773 1.00 0.23 H new ATOM 1347 N GLU A 86 2.533 -11.346 -14.307 1.00 -0.73 N ATOM 1348 CA GLU A 86 2.810 -11.251 -15.738 1.00 0.36 C ATOM 1349 C GLU A 86 4.321 -11.603 -15.856 1.00 0.57 C ATOM 1350 O GLU A 86 5.008 -11.964 -14.897 1.00 -0.57 O ATOM 1351 CB GLU A 86 2.477 -9.843 -16.256 1.00 0.00 C ATOM 1352 CG GLU A 86 1.031 -9.682 -16.749 1.00 -0.11 C ATOM 1353 CD GLU A 86 0.697 -8.203 -16.968 1.00 0.91 C ATOM 1354 OE1 GLU A 86 1.613 -7.490 -17.452 1.00 -0.90 O ATOM 1355 OE2 GLU A 86 -0.472 -7.820 -16.638 1.00 -0.90 O ATOM 0 H GLU A 86 2.537 -10.457 -13.807 1.00 -0.73 H new ATOM 0 HA GLU A 86 2.204 -11.922 -16.347 1.00 0.36 H new ATOM 0 HB2 GLU A 86 2.660 -9.122 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.157 -9.597 -17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.895 -10.233 -17.680 1.00 -0.11 H new ATOM 0 HG3 GLU A 86 0.343 -10.112 -16.021 1.00 -0.11 H new ATOM 1362 N GLY A 87 4.878 -11.517 -17.112 1.00 -0.73 N ATOM 1363 CA GLY A 87 6.172 -12.142 -17.358 1.00 0.36 C ATOM 1364 C GLY A 87 7.339 -11.408 -16.667 1.00 0.57 C ATOM 1365 O GLY A 87 7.928 -10.469 -17.199 1.00 -0.57 O ATOM 0 H GLY A 87 4.458 -11.043 -17.911 1.00 -0.73 H new ATOM 0 HA2 GLY A 87 6.142 -13.174 -17.009 1.00 0.36 H new ATOM 0 HA3 GLY A 87 6.355 -12.173 -18.432 1.00 0.36 H new ATOM 1369 N GLY A 88 7.589 -11.836 -15.382 1.00 -0.73 N ATOM 1370 CA GLY A 88 8.611 -11.271 -14.509 1.00 0.36 C ATOM 1371 C GLY A 88 8.104 -10.220 -13.503 1.00 0.57 C ATOM 1372 O GLY A 88 8.712 -9.971 -12.465 1.00 -0.57 O ATOM 0 H GLY A 88 7.064 -12.594 -14.945 1.00 -0.73 H new ATOM 0 HA2 GLY A 88 9.083 -12.083 -13.956 1.00 0.36 H new ATOM 0 HA3 GLY A 88 9.384 -10.815 -15.128 1.00 0.36 H new ATOM 1376 N LYS A 89 6.983 -9.528 -13.918 1.00 -0.73 N ATOM 1377 CA LYS A 89 6.364 -8.500 -13.073 1.00 0.36 C ATOM 1378 C LYS A 89 5.149 -9.107 -12.343 1.00 0.57 C ATOM 1379 O LYS A 89 4.418 -9.946 -12.873 1.00 -0.57 O ATOM 1380 CB LYS A 89 5.935 -7.296 -13.920 1.00 0.00 C ATOM 1381 CG LYS A 89 4.963 -7.602 -15.063 1.00 0.00 C ATOM 1382 CD LYS A 89 5.279 -6.820 -16.345 1.00 0.00 C ATOM 1383 CE LYS A 89 6.133 -7.603 -17.340 1.00 0.50 C ATOM 1384 NZ LYS A 89 7.423 -7.985 -16.776 1.00 -0.85 N ATOM 0 H LYS A 89 6.518 -9.676 -14.814 1.00 -0.73 H new ATOM 0 HA LYS A 89 7.090 -8.153 -12.337 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.474 -6.558 -13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.828 -6.834 -14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.990 -8.670 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.948 -7.368 -14.742 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.344 -6.534 -16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.796 -5.898 -16.081 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.595 -8.498 -17.652 1.00 0.50 H new ATOM 0 HE3 LYS A 89 6.293 -6.999 -18.233 1.00 0.50 H new ATOM 0 HZ1 LYS A 89 7.829 -8.763 -17.334 1.00 -0.85 H new ATOM 0 HZ2 LYS A 89 8.068 -7.169 -16.800 1.00 -0.85 H new ATOM 0 HZ3 LYS A 89 7.293 -8.295 -15.792 1.00 -0.85 H new ATOM 1398 N VAL A 90 4.901 -8.604 -11.093 1.00 -0.73 N ATOM 1399 CA VAL A 90 3.669 -8.919 -10.362 1.00 0.36 C ATOM 1400 C VAL A 90 2.571 -7.991 -10.926 1.00 0.57 C ATOM 1401 O VAL A 90 2.825 -6.968 -11.567 1.00 -0.57 O ATOM 1402 CB VAL A 90 3.890 -8.751 -8.846 1.00 0.00 C ATOM 1403 CG1 VAL A 90 2.626 -8.921 -8.002 1.00 0.00 C ATOM 1404 CG2 VAL A 90 4.950 -9.728 -8.334 1.00 0.00 C ATOM 0 H VAL A 90 5.541 -7.988 -10.592 1.00 -0.73 H new ATOM 0 HA VAL A 90 3.363 -9.957 -10.497 1.00 0.36 H new ATOM 0 HB VAL A 90 4.223 -7.720 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.871 -8.787 -6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.887 -8.177 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.218 -9.920 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.086 -9.588 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.626 -10.751 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.894 -9.543 -8.847 1.00 0.00 H new ATOM 1414 N VAL A 91 1.279 -8.383 -10.661 1.00 -0.73 N ATOM 1415 CA VAL A 91 0.150 -7.630 -11.183 1.00 0.36 C ATOM 1416 C VAL A 91 -1.150 -7.926 -10.394 1.00 0.57 C ATOM 1417 O VAL A 91 -1.488 -9.055 -10.040 1.00 -0.57 O ATOM 1418 CB VAL A 91 -0.034 -7.845 -12.706 1.00 0.00 C ATOM 1419 CG1 VAL A 91 -0.056 -9.320 -13.081 1.00 0.00 C ATOM 1420 CG2 VAL A 91 -1.294 -7.193 -13.261 1.00 0.00 C ATOM 0 H VAL A 91 1.028 -9.198 -10.101 1.00 -0.73 H new ATOM 0 HA VAL A 91 0.376 -6.573 -11.040 1.00 0.36 H new ATOM 0 HB VAL A 91 0.834 -7.362 -13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.187 -9.420 -14.159 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.885 -9.785 -12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.881 -9.814 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.360 -7.383 -14.332 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.169 -7.611 -12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.255 -6.118 -13.085 1.00 0.00 H new ATOM 1430 N VAL A 92 -1.930 -6.805 -10.179 1.00 -0.73 N ATOM 1431 CA VAL A 92 -3.342 -6.893 -9.803 1.00 0.36 C ATOM 1432 C VAL A 92 -4.150 -6.434 -11.042 1.00 0.57 C ATOM 1433 O VAL A 92 -3.799 -5.470 -11.728 1.00 -0.57 O ATOM 1434 CB VAL A 92 -3.673 -5.992 -8.593 1.00 0.00 C ATOM 1435 CG1 VAL A 92 -5.158 -6.075 -8.228 1.00 0.00 C ATOM 1436 CG2 VAL A 92 -2.820 -6.361 -7.377 1.00 0.00 C ATOM 0 H VAL A 92 -1.582 -5.850 -10.266 1.00 -0.73 H new ATOM 0 HA VAL A 92 -3.590 -7.912 -9.506 1.00 0.36 H new ATOM 0 HB VAL A 92 -3.442 -4.967 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.359 -5.430 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.760 -5.751 -9.077 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.413 -7.104 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.076 -5.709 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.011 -7.398 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.765 -6.239 -7.622 1.00 0.00 H new ATOM 1446 N ASN A 93 -5.298 -7.149 -11.281 1.00 -0.73 N ATOM 1447 CA ASN A 93 -6.155 -6.942 -12.456 1.00 0.36 C ATOM 1448 C ASN A 93 -7.613 -7.089 -11.974 1.00 0.57 C ATOM 1449 O ASN A 93 -7.972 -8.057 -11.294 1.00 -0.57 O ATOM 1450 CB ASN A 93 -5.881 -8.016 -13.511 1.00 0.06 C ATOM 1451 CG ASN A 93 -4.668 -7.727 -14.349 1.00 0.57 C ATOM 1452 OD1 ASN A 93 -4.195 -6.609 -14.505 1.00 -0.57 O ATOM 1453 ND2 ASN A 93 -4.131 -8.816 -14.975 1.00 -0.80 N ATOM 0 H ASN A 93 -5.637 -7.879 -10.654 1.00 -0.73 H new ATOM 0 HA ASN A 93 -5.964 -5.964 -12.897 1.00 0.36 H new ATOM 0 HB2 ASN A 93 -5.751 -8.978 -13.015 1.00 0.06 H new ATOM 0 HB3 ASN A 93 -6.751 -8.107 -14.162 1.00 0.06 H new ATOM 0 HD21 ASN A 93 -3.321 -8.706 -15.585 1.00 -0.80 H new ATOM 0 HD22 ASN A 93 -4.540 -9.740 -14.832 1.00 -0.80 H new ATOM 1460 N SER A 94 -8.490 -6.098 -12.335 1.00 -0.73 N ATOM 1461 CA SER A 94 -9.885 -6.086 -11.862 1.00 0.36 C ATOM 1462 C SER A 94 -10.762 -5.212 -12.792 1.00 0.57 C ATOM 1463 O SER A 94 -10.277 -4.588 -13.744 1.00 -0.57 O ATOM 1464 CB SER A 94 -9.960 -5.676 -10.381 1.00 0.28 C ATOM 1465 OG SER A 94 -9.702 -4.293 -10.166 1.00 -0.68 O ATOM 0 H SER A 94 -8.245 -5.316 -12.943 1.00 -0.73 H new ATOM 0 HA SER A 94 -10.292 -7.096 -11.912 1.00 0.36 H new ATOM 0 HB2 SER A 94 -10.950 -5.918 -9.994 1.00 0.28 H new ATOM 0 HB3 SER A 94 -9.242 -6.265 -9.811 1.00 0.28 H new ATOM 0 HG SER A 94 -9.765 -4.093 -9.209 1.00 -0.68 H new ATOM 1471 N PRO A 95 -12.124 -5.153 -12.569 1.00 -0.66 N ATOM 1472 CA PRO A 95 -12.984 -4.436 -13.514 1.00 0.36 C ATOM 1473 C PRO A 95 -12.660 -2.929 -13.552 1.00 0.57 C ATOM 1474 O PRO A 95 -12.755 -2.186 -12.576 1.00 -0.57 O ATOM 1475 CB PRO A 95 -14.403 -4.679 -12.997 1.00 0.00 C ATOM 1476 CG PRO A 95 -14.295 -6.042 -12.330 1.00 0.00 C ATOM 1477 CD PRO A 95 -12.919 -5.997 -11.684 1.00 0.30 C ATOM 0 HA PRO A 95 -12.845 -4.787 -14.536 1.00 0.36 H new ATOM 0 HB2 PRO A 95 -14.713 -3.908 -12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.133 -4.683 -13.807 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.083 -6.194 -11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.375 -6.853 -13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.967 -5.581 -10.678 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -12.489 -6.995 -11.597 1.00 0.30 H new ATOM 1485 N ASN A 96 -12.198 -2.492 -14.782 1.00 -0.73 N ATOM 1486 CA ASN A 96 -11.807 -1.100 -15.042 1.00 0.36 C ATOM 1487 C ASN A 96 -10.462 -0.763 -14.357 1.00 0.57 C ATOM 1488 O ASN A 96 -10.181 0.374 -13.972 1.00 -0.57 O ATOM 1489 CB ASN A 96 -12.910 -0.109 -14.653 1.00 0.06 C ATOM 1490 CG ASN A 96 -12.832 1.186 -15.426 1.00 0.57 C ATOM 1491 OD1 ASN A 96 -11.873 1.553 -16.095 1.00 -0.57 O ATOM 1492 ND2 ASN A 96 -13.936 1.981 -15.289 1.00 -0.80 N ATOM 0 H ASN A 96 -12.097 -3.105 -15.591 1.00 -0.73 H new ATOM 0 HA ASN A 96 -11.664 -0.998 -16.118 1.00 0.36 H new ATOM 0 HB2 ASN A 96 -13.883 -0.570 -14.823 1.00 0.06 H new ATOM 0 HB3 ASN A 96 -12.840 0.105 -13.586 1.00 0.06 H new ATOM 0 HD21 ASN A 96 -13.968 2.892 -15.747 1.00 -0.80 H new ATOM 0 HD22 ASN A 96 -14.727 1.663 -14.729 1.00 -0.80 H new ATOM 1499 N TYR A 97 -9.531 -1.794 -14.321 1.00 -0.73 N ATOM 1500 CA TYR A 97 -8.311 -1.615 -13.526 1.00 0.36 C ATOM 1501 C TYR A 97 -7.252 -2.703 -13.848 1.00 0.57 C ATOM 1502 O TYR A 97 -7.461 -3.906 -13.678 1.00 -0.57 O ATOM 1503 CB TYR A 97 -8.672 -1.704 -12.034 1.00 0.14 C ATOM 1504 CG TYR A 97 -7.549 -1.314 -11.111 1.00 -0.14 C ATOM 1505 CD1 TYR A 97 -7.257 0.039 -10.902 1.00 -0.15 C ATOM 1506 CD2 TYR A 97 -6.788 -2.295 -10.462 1.00 -0.15 C ATOM 1507 CE1 TYR A 97 -6.213 0.404 -10.058 1.00 -0.15 C ATOM 1508 CE2 TYR A 97 -5.746 -1.926 -9.614 1.00 -0.15 C ATOM 1509 CZ TYR A 97 -5.459 -0.576 -9.432 1.00 0.08 C ATOM 1510 OH TYR A 97 -4.430 -0.172 -8.631 1.00 -0.53 O ATOM 0 H TYR A 97 -9.617 -2.686 -14.807 1.00 -0.73 H new ATOM 0 HA TYR A 97 -7.886 -0.641 -13.770 1.00 0.36 H new ATOM 0 HB2 TYR A 97 -9.530 -1.061 -11.839 1.00 0.14 H new ATOM 0 HB3 TYR A 97 -8.980 -2.724 -11.805 1.00 0.14 H new ATOM 0 HD1 TYR A 97 -7.843 0.800 -11.396 1.00 -0.15 H new ATOM 0 HD2 TYR A 97 -7.010 -3.340 -10.619 1.00 -0.15 H new ATOM 0 HE1 TYR A 97 -5.991 1.448 -9.891 1.00 -0.15 H new ATOM 0 HE2 TYR A 97 -5.166 -2.680 -9.103 1.00 -0.15 H new ATOM 0 HH TYR A 97 -3.577 -0.353 -9.078 1.00 -0.53 H new ATOM 1520 N HIS A 98 -6.052 -2.234 -14.333 1.00 -0.73 N ATOM 1521 CA HIS A 98 -4.840 -3.071 -14.433 1.00 0.36 C ATOM 1522 C HIS A 98 -3.786 -2.360 -13.556 1.00 0.57 C ATOM 1523 O HIS A 98 -3.723 -1.132 -13.472 1.00 -0.57 O ATOM 1524 CB HIS A 98 -4.344 -3.110 -15.892 1.00 0.17 C ATOM 1525 CG HIS A 98 -3.566 -4.317 -16.322 1.00 -0.07 C ATOM 1526 ND1 HIS A 98 -3.988 -5.103 -17.422 1.00 -0.59 N ATOM 1527 CD2 HIS A 98 -2.347 -4.864 -15.813 1.00 0.20 C ATOM 1528 CE1 HIS A 98 -3.047 -6.122 -17.538 1.00 0.30 C ATOM 1529 NE2 HIS A 98 -2.035 -5.970 -16.585 1.00 -0.15 N ATOM 0 H HIS A 98 -5.917 -1.276 -14.657 1.00 -0.73 H new ATOM 0 HA HIS A 98 -5.028 -4.097 -14.115 1.00 0.36 H new ATOM 0 HB2 HIS A 98 -5.211 -3.017 -16.546 1.00 0.17 H new ATOM 0 HB3 HIS A 98 -3.723 -2.231 -16.061 1.00 0.17 H new ATOM 0 HD2 HIS A 98 -1.775 -4.484 -14.979 1.00 0.20 H new ATOM 0 HE1 HIS A 98 -3.092 -6.920 -18.264 1.00 0.30 H new ATOM 0 HE2 HIS A 98 -1.215 -6.567 -16.478 1.00 -0.15 H new ATOM 1538 N HIS A 99 -2.871 -3.178 -12.934 1.00 -0.73 N ATOM 1539 CA HIS A 99 -1.835 -2.607 -12.062 1.00 0.36 C ATOM 1540 C HIS A 99 -0.670 -3.587 -12.036 1.00 0.57 C ATOM 1541 O HIS A 99 -0.678 -4.565 -11.288 1.00 -0.57 O ATOM 1542 CB HIS A 99 -2.370 -2.374 -10.650 1.00 0.17 C ATOM 1543 CG HIS A 99 -1.380 -1.839 -9.679 1.00 -0.07 C ATOM 1544 ND1 HIS A 99 -1.386 -0.486 -9.303 1.00 -0.59 N ATOM 1545 CD2 HIS A 99 -0.351 -2.521 -8.961 1.00 0.20 C ATOM 1546 CE1 HIS A 99 -0.347 -0.341 -8.396 1.00 0.30 C ATOM 1547 NE2 HIS A 99 0.274 -1.572 -8.188 1.00 -0.15 N ATOM 0 H HIS A 99 -2.845 -4.193 -13.027 1.00 -0.73 H new ATOM 0 HA HIS A 99 -1.516 -1.638 -12.445 1.00 0.36 H new ATOM 0 HB2 HIS A 99 -3.210 -1.682 -10.707 1.00 0.17 H new ATOM 0 HB3 HIS A 99 -2.759 -3.317 -10.266 1.00 0.17 H new ATOM 0 HD2 HIS A 99 -0.112 -3.573 -9.015 1.00 0.20 H new ATOM 0 HE1 HIS A 99 -0.062 0.586 -7.922 1.00 0.30 H new ATOM 0 HE2 HIS A 99 1.063 -1.741 -7.564 1.00 -0.15 H new ATOM 1556 N THR A 100 0.307 -3.362 -12.974 1.00 -0.73 N ATOM 1557 CA THR A 100 1.548 -4.135 -12.949 1.00 0.36 C ATOM 1558 C THR A 100 2.519 -3.552 -11.893 1.00 0.57 C ATOM 1559 O THR A 100 2.390 -2.431 -11.396 1.00 -0.57 O ATOM 1560 CB THR A 100 2.247 -4.180 -14.324 1.00 0.28 C ATOM 1561 OG1 THR A 100 2.364 -2.857 -14.851 1.00 -0.68 O ATOM 1562 CG2 THR A 100 1.476 -5.030 -15.323 1.00 0.00 C ATOM 0 H THR A 100 0.244 -2.672 -13.723 1.00 -0.73 H new ATOM 0 HA THR A 100 1.278 -5.157 -12.685 1.00 0.36 H new ATOM 0 HB THR A 100 3.231 -4.624 -14.173 1.00 0.28 H new ATOM 0 HG1 THR A 100 2.810 -2.891 -15.723 1.00 -0.68 H new ATOM 0 HG21 THR A 100 2.002 -5.036 -16.278 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.395 -6.050 -14.947 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.478 -4.614 -15.461 1.00 0.00 H new ATOM 1570 N ALA A 101 3.546 -4.408 -11.569 1.00 -0.73 N ATOM 1571 CA ALA A 101 4.532 -4.140 -10.530 1.00 0.36 C ATOM 1572 C ALA A 101 5.815 -4.897 -10.945 1.00 0.57 C ATOM 1573 O ALA A 101 5.988 -6.090 -10.700 1.00 -0.57 O ATOM 1574 CB ALA A 101 4.007 -4.599 -9.178 1.00 0.00 C ATOM 0 H ALA A 101 3.689 -5.301 -12.040 1.00 -0.73 H new ATOM 0 HA ALA A 101 4.742 -3.075 -10.429 1.00 0.36 H new ATOM 0 HB1 ALA A 101 4.752 -4.394 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.087 -4.063 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.805 -5.670 -9.211 1.00 0.00 H new ATOM 1580 N GLU A 102 6.641 -4.165 -11.761 1.00 -0.73 N ATOM 1581 CA GLU A 102 7.872 -4.643 -12.409 1.00 0.36 C ATOM 1582 C GLU A 102 9.103 -4.235 -11.569 1.00 0.57 C ATOM 1583 O GLU A 102 9.078 -3.308 -10.756 1.00 -0.57 O ATOM 1584 CB GLU A 102 7.905 -4.004 -13.813 1.00 0.00 C ATOM 1585 CG GLU A 102 9.116 -4.276 -14.698 1.00 -0.11 C ATOM 1586 CD GLU A 102 9.227 -5.759 -14.962 1.00 0.91 C ATOM 1587 OE1 GLU A 102 9.609 -6.460 -13.987 1.00 -0.90 O ATOM 1588 OE2 GLU A 102 8.822 -6.150 -16.096 1.00 -0.90 O ATOM 0 H GLU A 102 6.443 -3.189 -11.983 1.00 -0.73 H new ATOM 0 HA GLU A 102 7.892 -5.730 -12.489 1.00 0.36 H new ATOM 0 HB2 GLU A 102 7.017 -4.336 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.818 -2.924 -13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.020 -3.735 -15.639 1.00 -0.11 H new ATOM 0 HG3 GLU A 102 10.022 -3.914 -14.213 1.00 -0.11 H new ATOM 1595 N ILE A 103 10.240 -4.966 -11.807 1.00 -0.73 N ATOM 1596 CA ILE A 103 11.528 -4.663 -11.193 1.00 0.36 C ATOM 1597 C ILE A 103 12.477 -4.063 -12.258 1.00 0.57 C ATOM 1598 O ILE A 103 12.628 -4.540 -13.381 1.00 -0.57 O ATOM 1599 CB ILE A 103 12.160 -5.953 -10.604 1.00 0.00 C ATOM 1600 CG1 ILE A 103 11.257 -6.587 -9.526 1.00 0.00 C ATOM 1601 CG2 ILE A 103 13.586 -5.745 -10.070 1.00 0.00 C ATOM 1602 CD1 ILE A 103 11.165 -5.793 -8.227 1.00 0.00 C ATOM 0 H ILE A 103 10.264 -5.773 -12.430 1.00 -0.73 H new ATOM 0 HA ILE A 103 11.376 -3.945 -10.387 1.00 0.36 H new ATOM 0 HB ILE A 103 12.241 -6.648 -11.439 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.254 -6.706 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 103 11.630 -7.586 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.967 -6.686 -9.673 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.232 -5.405 -10.880 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.572 -4.996 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.510 -6.313 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.158 -5.695 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.761 -4.802 -8.434 1.00 0.00 H new ATOM 1614 N VAL A 104 13.246 -3.005 -11.817 1.00 -0.73 N ATOM 1615 CA VAL A 104 14.431 -2.565 -12.566 1.00 0.36 C ATOM 1616 C VAL A 104 15.409 -1.959 -11.547 1.00 0.57 C ATOM 1617 O VAL A 104 15.021 -1.510 -10.471 1.00 -0.57 O ATOM 1618 CB VAL A 104 14.088 -1.656 -13.758 1.00 0.00 C ATOM 1619 CG1 VAL A 104 13.805 -0.226 -13.324 1.00 0.00 C ATOM 1620 CG2 VAL A 104 15.183 -1.665 -14.826 1.00 0.00 C ATOM 0 H VAL A 104 13.055 -2.470 -10.970 1.00 -0.73 H new ATOM 0 HA VAL A 104 14.915 -3.410 -13.056 1.00 0.36 H new ATOM 0 HB VAL A 104 13.179 -2.070 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.568 0.379 -14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.960 -0.215 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 104 14.684 0.184 -12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 104 14.896 -1.009 -15.647 1.00 0.00 H new ATOM 0 HG22 VAL A 104 16.119 -1.313 -14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 104 15.316 -2.679 -15.202 1.00 0.00 H new ATOM 1630 N ASP A 105 16.751 -2.066 -11.808 1.00 -0.73 N ATOM 1631 CA ASP A 105 17.791 -1.447 -10.958 1.00 0.36 C ATOM 1632 C ASP A 105 17.804 -1.864 -9.451 1.00 0.57 C ATOM 1633 O ASP A 105 18.517 -1.336 -8.601 1.00 -0.57 O ATOM 1634 CB ASP A 105 18.004 0.041 -11.220 1.00 -0.11 C ATOM 1635 CG ASP A 105 17.052 1.050 -10.620 1.00 0.91 C ATOM 1636 OD1 ASP A 105 17.067 1.229 -9.369 1.00 -0.90 O ATOM 1637 OD2 ASP A 105 16.366 1.748 -11.426 1.00 -0.90 O ATOM 0 H ASP A 105 17.125 -2.579 -12.606 1.00 -0.73 H new ATOM 0 HA ASP A 105 18.704 -1.924 -11.315 1.00 0.36 H new ATOM 0 HB2 ASP A 105 19.006 0.293 -10.873 1.00 -0.11 H new ATOM 0 HB3 ASP A 105 17.994 0.186 -12.300 1.00 -0.11 H new ATOM 1642 N GLY A 106 17.040 -2.984 -9.164 1.00 -0.73 N ATOM 1643 CA GLY A 106 16.755 -3.395 -7.802 1.00 0.36 C ATOM 1644 C GLY A 106 15.549 -2.691 -7.141 1.00 0.57 C ATOM 1645 O GLY A 106 15.110 -3.066 -6.046 1.00 -0.57 O ATOM 0 H GLY A 106 16.631 -3.588 -9.877 1.00 -0.73 H new ATOM 0 HA2 GLY A 106 16.577 -4.470 -7.794 1.00 0.36 H new ATOM 0 HA3 GLY A 106 17.640 -3.214 -7.192 1.00 0.36 H new ATOM 1649 N LYS A 107 15.062 -1.614 -7.837 1.00 -0.73 N ATOM 1650 CA LYS A 107 13.850 -0.888 -7.511 1.00 0.36 C ATOM 1651 C LYS A 107 12.610 -1.607 -8.070 1.00 0.57 C ATOM 1652 O LYS A 107 12.664 -2.495 -8.917 1.00 -0.57 O ATOM 1653 CB LYS A 107 13.919 0.566 -8.008 1.00 0.00 C ATOM 1654 CG LYS A 107 13.596 0.853 -9.476 1.00 0.00 C ATOM 1655 CD LYS A 107 13.143 2.303 -9.653 1.00 0.00 C ATOM 1656 CE LYS A 107 13.237 2.778 -11.095 1.00 0.50 C ATOM 1657 NZ LYS A 107 14.516 3.442 -11.331 1.00 -0.85 N ATOM 0 H LYS A 107 15.537 -1.240 -8.658 1.00 -0.73 H new ATOM 0 HA LYS A 107 13.761 -0.861 -6.425 1.00 0.36 H new ATOM 0 HB2 LYS A 107 13.237 1.158 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.925 0.936 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 107 14.475 0.663 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.814 0.177 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.113 2.402 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.753 2.949 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.130 1.930 -11.771 1.00 0.50 H new ATOM 0 HE3 LYS A 107 12.418 3.464 -11.312 1.00 0.50 H new ATOM 0 HZ1 LYS A 107 14.579 3.730 -12.328 1.00 -0.85 H new ATOM 0 HZ2 LYS A 107 14.588 4.282 -10.722 1.00 -0.85 H new ATOM 0 HZ3 LYS A 107 15.293 2.787 -11.111 1.00 -0.85 H new ATOM 1671 N LEU A 108 11.437 -1.131 -7.535 1.00 -0.73 N ATOM 1672 CA LEU A 108 10.125 -1.446 -8.095 1.00 0.36 C ATOM 1673 C LEU A 108 9.764 -0.309 -9.079 1.00 0.57 C ATOM 1674 O LEU A 108 9.978 0.876 -8.812 1.00 -0.57 O ATOM 1675 CB LEU A 108 9.087 -1.403 -6.953 1.00 0.00 C ATOM 1676 CG LEU A 108 8.355 -2.718 -6.662 1.00 0.00 C ATOM 1677 CD1 LEU A 108 7.757 -2.649 -5.257 1.00 0.00 C ATOM 1678 CD2 LEU A 108 7.267 -2.988 -7.695 1.00 0.00 C ATOM 0 H LEU A 108 11.400 -0.527 -6.714 1.00 -0.73 H new ATOM 0 HA LEU A 108 10.133 -2.422 -8.580 1.00 0.36 H new ATOM 0 HB2 LEU A 108 9.591 -1.081 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.344 -0.642 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 108 9.067 -3.541 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.233 -3.580 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.555 -2.502 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.056 -1.816 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.767 -3.928 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.540 -2.176 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.715 -3.053 -8.687 1.00 0.00 H new ATOM 1690 N VAL A 109 9.131 -0.716 -10.221 1.00 -0.73 N ATOM 1691 CA VAL A 109 8.369 0.176 -11.087 1.00 0.36 C ATOM 1692 C VAL A 109 6.935 -0.378 -11.023 1.00 0.57 C ATOM 1693 O VAL A 109 6.677 -1.544 -11.329 1.00 -0.57 O ATOM 1694 CB VAL A 109 8.839 0.117 -12.554 1.00 0.00 C ATOM 1695 CG1 VAL A 109 8.118 1.162 -13.411 1.00 0.00 C ATOM 1696 CG2 VAL A 109 10.349 0.287 -12.684 1.00 0.00 C ATOM 0 H VAL A 109 9.148 -1.682 -10.549 1.00 -0.73 H new ATOM 0 HA VAL A 109 8.476 1.211 -10.763 1.00 0.36 H new ATOM 0 HB VAL A 109 8.583 -0.877 -12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.471 1.095 -14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.044 0.977 -13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.325 2.158 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.631 0.238 -13.736 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.643 1.253 -12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.853 -0.509 -12.136 1.00 0.00 H new ATOM 1706 N GLU A 110 5.963 0.481 -10.576 1.00 -0.73 N ATOM 1707 CA GLU A 110 4.566 0.122 -10.790 1.00 0.36 C ATOM 1708 C GLU A 110 4.053 0.904 -12.005 1.00 0.57 C ATOM 1709 O GLU A 110 4.468 2.030 -12.280 1.00 -0.57 O ATOM 1710 CB GLU A 110 3.661 0.422 -9.595 1.00 0.00 C ATOM 1711 CG GLU A 110 4.037 -0.385 -8.358 1.00 -0.11 C ATOM 1712 CD GLU A 110 2.929 -0.279 -7.337 1.00 0.91 C ATOM 1713 OE1 GLU A 110 2.584 0.877 -6.955 1.00 -0.90 O ATOM 1714 OE2 GLU A 110 2.355 -1.372 -7.041 1.00 -0.90 O ATOM 0 H GLU A 110 6.128 1.367 -10.098 1.00 -0.73 H new ATOM 0 HA GLU A 110 4.530 -0.956 -10.944 1.00 0.36 H new ATOM 0 HB2 GLU A 110 3.715 1.485 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.627 0.207 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.201 -1.429 -8.627 1.00 -0.11 H new ATOM 0 HG3 GLU A 110 4.971 -0.013 -7.937 1.00 -0.11 H new ATOM 1721 N VAL A 111 3.037 0.282 -12.695 1.00 -0.73 N ATOM 1722 CA VAL A 111 2.193 1.007 -13.640 1.00 0.36 C ATOM 1723 C VAL A 111 0.751 0.572 -13.323 1.00 0.57 C ATOM 1724 O VAL A 111 0.363 -0.589 -13.462 1.00 -0.57 O ATOM 1725 CB VAL A 111 2.513 0.737 -15.126 1.00 0.00 C ATOM 1726 CG1 VAL A 111 1.590 1.563 -16.036 1.00 0.00 C ATOM 1727 CG2 VAL A 111 3.965 1.065 -15.473 1.00 0.00 C ATOM 0 H VAL A 111 2.806 -0.707 -12.598 1.00 -0.73 H new ATOM 0 HA VAL A 111 2.363 2.077 -13.518 1.00 0.36 H new ATOM 0 HB VAL A 111 2.350 -0.328 -15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.831 1.359 -17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.552 1.292 -15.843 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.732 2.624 -15.831 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.142 0.859 -16.529 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.158 2.119 -15.271 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.631 0.452 -14.867 1.00 0.00 H new ATOM 1737 N SER A 112 -0.045 1.565 -12.800 1.00 -0.73 N ATOM 1738 CA SER A 112 -1.490 1.411 -12.723 1.00 0.36 C ATOM 1739 C SER A 112 -2.129 2.015 -13.980 1.00 0.57 C ATOM 1740 O SER A 112 -1.661 3.010 -14.536 1.00 -0.57 O ATOM 1741 CB SER A 112 -2.085 2.135 -11.515 1.00 0.28 C ATOM 1742 OG SER A 112 -1.263 2.004 -10.354 1.00 -0.68 O ATOM 0 H SER A 112 0.308 2.452 -12.440 1.00 -0.73 H new ATOM 0 HA SER A 112 -1.695 0.344 -12.633 1.00 0.36 H new ATOM 0 HB2 SER A 112 -2.212 3.191 -11.752 1.00 0.28 H new ATOM 0 HB3 SER A 112 -3.076 1.734 -11.304 1.00 0.28 H new ATOM 0 HG SER A 112 -1.582 1.254 -9.810 1.00 -0.68 H new ATOM 1748 N THR A 113 -3.317 1.438 -14.346 1.00 -0.73 N ATOM 1749 CA THR A 113 -4.073 1.845 -15.535 1.00 0.36 C ATOM 1750 C THR A 113 -5.550 1.651 -15.163 1.00 0.57 C ATOM 1751 O THR A 113 -5.981 0.582 -14.730 1.00 -0.57 O ATOM 1752 CB THR A 113 -3.696 1.012 -16.774 1.00 0.28 C ATOM 1753 OG1 THR A 113 -2.331 1.247 -17.144 1.00 -0.68 O ATOM 1754 CG2 THR A 113 -4.572 1.321 -17.984 1.00 0.00 C ATOM 0 H THR A 113 -3.758 0.686 -13.817 1.00 -0.73 H new ATOM 0 HA THR A 113 -3.853 2.877 -15.806 1.00 0.36 H new ATOM 0 HB THR A 113 -3.849 -0.029 -16.491 1.00 0.28 H new ATOM 0 HG1 THR A 113 -2.229 2.174 -17.445 1.00 -0.68 H new ATOM 0 HG21 THR A 113 -4.260 0.704 -18.826 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.613 1.106 -17.744 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.470 2.374 -18.248 1.00 0.00 H new ATOM 1762 N VAL A 114 -6.308 2.785 -15.293 1.00 -0.73 N ATOM 1763 CA VAL A 114 -7.725 2.902 -14.904 1.00 0.36 C ATOM 1764 C VAL A 114 -8.452 3.514 -16.121 1.00 0.57 C ATOM 1765 O VAL A 114 -7.856 3.845 -17.150 1.00 -0.57 O ATOM 1766 CB VAL A 114 -7.797 3.770 -13.627 1.00 0.00 C ATOM 1767 CG1 VAL A 114 -7.582 5.259 -13.902 1.00 0.00 C ATOM 1768 CG2 VAL A 114 -9.049 3.595 -12.779 1.00 0.00 C ATOM 0 H VAL A 114 -5.931 3.650 -15.679 1.00 -0.73 H new ATOM 0 HA VAL A 114 -8.204 1.954 -14.660 1.00 0.36 H new ATOM 0 HB VAL A 114 -6.965 3.381 -13.039 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.644 5.815 -12.966 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.599 5.408 -14.348 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -8.350 5.617 -14.588 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -8.994 4.250 -11.910 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.928 3.850 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.122 2.559 -12.448 1.00 0.00 H new ATOM 1778 N GLY A 115 -9.799 3.735 -15.954 1.00 -0.73 N ATOM 1779 CA GLY A 115 -10.576 4.273 -17.054 1.00 0.36 C ATOM 1780 C GLY A 115 -10.144 5.701 -17.434 1.00 0.57 C ATOM 1781 O GLY A 115 -10.481 6.706 -16.811 1.00 -0.57 O ATOM 0 H GLY A 115 -10.322 3.549 -15.098 1.00 -0.73 H new ATOM 0 HA2 GLY A 115 -10.472 3.622 -17.922 1.00 0.36 H new ATOM 0 HA3 GLY A 115 -11.632 4.276 -16.783 1.00 0.36 H new ATOM 1785 N GLY A 116 -9.271 5.732 -18.500 1.00 -0.73 N ATOM 1786 CA GLY A 116 -8.846 6.963 -19.130 1.00 0.36 C ATOM 1787 C GLY A 116 -7.588 7.635 -18.571 1.00 0.57 C ATOM 1788 O GLY A 116 -7.196 8.716 -19.011 1.00 -0.57 O ATOM 0 H GLY A 116 -8.866 4.894 -18.917 1.00 -0.73 H new ATOM 0 HA2 GLY A 116 -8.680 6.762 -20.188 1.00 0.36 H new ATOM 0 HA3 GLY A 116 -9.667 7.677 -19.066 1.00 0.36 H new ATOM 1792 N VAL A 117 -6.910 6.973 -17.576 1.00 -0.73 N ATOM 1793 CA VAL A 117 -5.672 7.499 -17.001 1.00 0.36 C ATOM 1794 C VAL A 117 -4.745 6.283 -16.748 1.00 0.57 C ATOM 1795 O VAL A 117 -5.175 5.158 -16.480 1.00 -0.57 O ATOM 1796 CB VAL A 117 -5.935 8.322 -15.714 1.00 0.00 C ATOM 1797 CG1 VAL A 117 -4.655 8.862 -15.081 1.00 0.00 C ATOM 1798 CG2 VAL A 117 -6.843 9.521 -15.985 1.00 0.00 C ATOM 0 H VAL A 117 -7.215 6.086 -17.175 1.00 -0.73 H new ATOM 0 HA VAL A 117 -5.195 8.199 -17.687 1.00 0.36 H new ATOM 0 HB VAL A 117 -6.413 7.621 -15.030 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.904 9.429 -14.184 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.002 8.031 -14.815 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.144 9.512 -15.791 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.004 10.072 -15.059 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.373 10.175 -16.720 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.801 9.172 -16.370 1.00 0.00 H new ATOM 1808 N SER A 118 -3.391 6.545 -16.813 1.00 -0.73 N ATOM 1809 CA SER A 118 -2.427 5.632 -16.187 1.00 0.36 C ATOM 1810 C SER A 118 -1.600 6.413 -15.161 1.00 0.57 C ATOM 1811 O SER A 118 -1.579 7.643 -15.129 1.00 -0.57 O ATOM 1812 CB SER A 118 -1.540 4.903 -17.200 1.00 0.28 C ATOM 1813 OG SER A 118 -2.320 3.970 -17.960 1.00 -0.68 O ATOM 0 H SER A 118 -2.979 7.354 -17.279 1.00 -0.73 H new ATOM 0 HA SER A 118 -2.984 4.842 -15.683 1.00 0.36 H new ATOM 0 HB2 SER A 118 -1.070 5.624 -17.868 1.00 0.28 H new ATOM 0 HB3 SER A 118 -0.737 4.379 -16.681 1.00 0.28 H new ATOM 0 HG SER A 118 -1.757 3.557 -18.648 1.00 -0.68 H new ATOM 1819 N TYR A 119 -0.931 5.623 -14.269 1.00 -0.73 N ATOM 1820 CA TYR A 119 -0.244 6.150 -13.093 1.00 0.36 C ATOM 1821 C TYR A 119 0.875 5.166 -12.788 1.00 0.57 C ATOM 1822 O TYR A 119 0.673 4.066 -12.277 1.00 -0.57 O ATOM 1823 CB TYR A 119 -1.216 6.281 -11.920 1.00 0.14 C ATOM 1824 CG TYR A 119 -0.672 6.481 -10.527 1.00 -0.14 C ATOM 1825 CD1 TYR A 119 0.493 7.202 -10.251 1.00 -0.15 C ATOM 1826 CD2 TYR A 119 -1.402 5.942 -9.451 1.00 -0.15 C ATOM 1827 CE1 TYR A 119 0.913 7.374 -8.929 1.00 -0.15 C ATOM 1828 CE2 TYR A 119 -0.996 6.132 -8.135 1.00 -0.15 C ATOM 1829 CZ TYR A 119 0.156 6.854 -7.883 1.00 0.08 C ATOM 1830 OH TYR A 119 0.515 7.022 -6.578 1.00 -0.53 O ATOM 0 H TYR A 119 -0.865 4.609 -14.362 1.00 -0.73 H new ATOM 0 HA TYR A 119 0.157 7.148 -13.269 1.00 0.36 H new ATOM 0 HB2 TYR A 119 -1.879 7.119 -12.136 1.00 0.14 H new ATOM 0 HB3 TYR A 119 -1.833 5.383 -11.904 1.00 0.14 H new ATOM 0 HD1 TYR A 119 1.069 7.627 -11.060 1.00 -0.15 H new ATOM 0 HD2 TYR A 119 -2.295 5.369 -9.652 1.00 -0.15 H new ATOM 0 HE1 TYR A 119 1.826 7.911 -8.719 1.00 -0.15 H new ATOM 0 HE2 TYR A 119 -1.573 5.721 -7.320 1.00 -0.15 H new ATOM 0 HH TYR A 119 0.901 7.914 -6.457 1.00 -0.53 H new ATOM 1840 N GLU A 120 2.082 5.583 -13.278 1.00 -0.73 N ATOM 1841 CA GLU A 120 3.318 4.924 -12.956 1.00 0.36 C ATOM 1842 C GLU A 120 3.952 5.534 -11.698 1.00 0.57 C ATOM 1843 O GLU A 120 3.767 6.683 -11.304 1.00 -0.57 O ATOM 1844 CB GLU A 120 4.271 4.890 -14.158 1.00 0.00 C ATOM 1845 CG GLU A 120 4.850 6.233 -14.607 1.00 -0.11 C ATOM 1846 CD GLU A 120 3.842 7.195 -15.192 1.00 0.91 C ATOM 1847 OE1 GLU A 120 3.013 7.736 -14.395 1.00 -0.90 O ATOM 1848 OE2 GLU A 120 3.933 7.498 -16.416 1.00 -0.90 O ATOM 0 H GLU A 120 2.190 6.384 -13.901 1.00 -0.73 H new ATOM 0 HA GLU A 120 3.100 3.882 -12.721 1.00 0.36 H new ATOM 0 HB2 GLU A 120 5.100 4.224 -13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.741 4.448 -15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.332 6.709 -13.753 1.00 -0.11 H new ATOM 0 HG3 GLU A 120 5.627 6.048 -15.349 1.00 -0.11 H new ATOM 1855 N ARG A 121 4.759 4.624 -11.066 1.00 -0.73 N ATOM 1856 CA ARG A 121 5.459 4.892 -9.829 1.00 0.36 C ATOM 1857 C ARG A 121 6.822 4.238 -10.015 1.00 0.57 C ATOM 1858 O ARG A 121 6.947 3.147 -10.578 1.00 -0.57 O ATOM 1859 CB ARG A 121 4.759 4.180 -8.673 1.00 0.00 C ATOM 1860 CG ARG A 121 5.248 4.641 -7.307 1.00 0.00 C ATOM 1861 CD ARG A 121 4.952 3.630 -6.218 1.00 0.33 C ATOM 1862 NE ARG A 121 3.589 3.129 -6.206 1.00 -0.84 N ATOM 1863 CZ ARG A 121 2.446 3.801 -6.171 1.00 1.20 C ATOM 1864 NH1 ARG A 121 2.354 5.085 -5.875 1.00 -0.97 N ATOM 1865 NH2 ARG A 121 1.329 3.127 -6.447 1.00 -0.97 N ATOM 0 H ARG A 121 4.923 3.685 -11.429 1.00 -0.73 H new ATOM 0 HA ARG A 121 5.506 5.959 -9.611 1.00 0.36 H new ATOM 0 HB2 ARG A 121 3.685 4.351 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.917 3.106 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 121 6.322 4.821 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.775 5.591 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.633 2.786 -6.330 1.00 0.33 H new ATOM 0 HD3 ARG A 121 5.165 4.086 -5.251 1.00 0.33 H new ATOM 0 HE ARG A 121 3.497 2.113 -6.228 1.00 -0.84 H new ATOM 0 HH11 ARG A 121 3.195 5.619 -5.656 1.00 -0.97 H new ATOM 0 HH12 ARG A 121 1.442 5.542 -5.866 1.00 -0.97 H new ATOM 0 HH21 ARG A 121 1.376 2.134 -6.674 1.00 -0.97 H new ATOM 0 HH22 ARG A 121 0.428 3.605 -6.431 1.00 -0.97 H new ATOM 1879 N VAL A 122 7.862 4.905 -9.433 1.00 -0.73 N ATOM 1880 CA VAL A 122 9.171 4.297 -9.308 1.00 0.36 C ATOM 1881 C VAL A 122 9.538 4.380 -7.807 1.00 0.57 C ATOM 1882 O VAL A 122 9.546 5.446 -7.186 1.00 -0.57 O ATOM 1883 CB VAL A 122 10.192 4.919 -10.278 1.00 0.00 C ATOM 1884 CG1 VAL A 122 9.969 4.384 -11.698 1.00 0.00 C ATOM 1885 CG2 VAL A 122 10.178 6.442 -10.350 1.00 0.00 C ATOM 0 H VAL A 122 7.796 5.850 -9.056 1.00 -0.73 H new ATOM 0 HA VAL A 122 9.175 3.250 -9.611 1.00 0.36 H new ATOM 0 HB VAL A 122 11.161 4.628 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.697 4.832 -12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 122 10.089 3.301 -11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.962 4.639 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.933 6.780 -11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 122 9.195 6.782 -10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.396 6.855 -9.365 1.00 0.00 H new ATOM 1895 N SER A 123 9.763 3.165 -7.199 1.00 -0.73 N ATOM 1896 CA SER A 123 10.002 3.010 -5.760 1.00 0.36 C ATOM 1897 C SER A 123 11.361 2.327 -5.571 1.00 0.57 C ATOM 1898 O SER A 123 11.570 1.178 -5.960 1.00 -0.57 O ATOM 1899 CB SER A 123 8.949 2.121 -5.078 1.00 0.28 C ATOM 1900 OG SER A 123 7.702 2.792 -4.941 1.00 -0.68 O ATOM 0 H SER A 123 9.779 2.283 -7.711 1.00 -0.73 H new ATOM 0 HA SER A 123 9.960 4.003 -5.312 1.00 0.36 H new ATOM 0 HB2 SER A 123 8.810 1.210 -5.660 1.00 0.28 H new ATOM 0 HB3 SER A 123 9.310 1.819 -4.095 1.00 0.28 H new ATOM 0 HG SER A 123 7.232 2.452 -4.151 1.00 -0.68 H new ATOM 1906 N LYS A 124 12.337 3.104 -4.991 1.00 -0.73 N ATOM 1907 CA LYS A 124 13.694 2.623 -4.773 1.00 0.36 C ATOM 1908 C LYS A 124 13.799 1.741 -3.526 1.00 0.57 C ATOM 1909 O LYS A 124 13.281 2.043 -2.452 1.00 -0.57 O ATOM 1910 CB LYS A 124 14.666 3.796 -4.582 1.00 0.00 C ATOM 1911 CG LYS A 124 15.617 3.947 -5.760 1.00 0.00 C ATOM 1912 CD LYS A 124 16.704 2.871 -5.823 1.00 0.00 C ATOM 1913 CE LYS A 124 17.816 3.216 -6.810 1.00 0.50 C ATOM 1914 NZ LYS A 124 17.304 3.384 -8.165 1.00 -0.85 N ATOM 0 H LYS A 124 12.181 4.062 -4.676 1.00 -0.73 H new ATOM 0 HA LYS A 124 13.952 2.042 -5.658 1.00 0.36 H new ATOM 0 HB2 LYS A 124 14.100 4.718 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 124 15.242 3.645 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 124 15.041 3.922 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 124 16.092 4.927 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 124 17.134 2.735 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 124 16.253 1.920 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 124 18.312 4.133 -6.493 1.00 0.50 H new ATOM 0 HE3 LYS A 124 18.568 2.427 -6.801 1.00 0.50 H new ATOM 0 HZ1 LYS A 124 18.033 3.827 -8.759 1.00 -0.85 H new ATOM 0 HZ2 LYS A 124 17.054 2.455 -8.559 1.00 -0.85 H new ATOM 0 HZ3 LYS A 124 16.459 3.990 -8.144 1.00 -0.85 H new ATOM 1928 N LYS A 125 14.585 0.617 -3.688 1.00 -0.73 N ATOM 1929 CA LYS A 125 15.023 -0.141 -2.525 1.00 0.36 C ATOM 1930 C LYS A 125 16.383 0.438 -2.117 1.00 0.57 C ATOM 1931 O LYS A 125 17.321 0.502 -2.910 1.00 -0.57 O ATOM 1932 CB LYS A 125 15.155 -1.632 -2.856 1.00 0.00 C ATOM 1933 CG LYS A 125 15.425 -2.476 -1.611 1.00 0.00 C ATOM 1934 CD LYS A 125 14.892 -3.909 -1.689 1.00 0.00 C ATOM 1935 CE LYS A 125 15.453 -4.774 -2.812 1.00 0.50 C ATOM 1936 NZ LYS A 125 14.577 -4.779 -3.993 1.00 -0.85 N ATOM 0 H LYS A 125 14.901 0.253 -4.587 1.00 -0.73 H new ATOM 0 HA LYS A 125 14.297 -0.061 -1.716 1.00 0.36 H new ATOM 0 HB2 LYS A 125 14.240 -1.978 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.965 -1.774 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.500 -2.511 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.978 -1.982 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.098 -4.404 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.808 -3.866 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.440 -4.407 -3.094 1.00 0.50 H new ATOM 0 HE3 LYS A 125 15.583 -5.795 -2.453 1.00 0.50 H new ATOM 0 HZ1 LYS A 125 14.770 -5.626 -4.565 1.00 -0.85 H new ATOM 0 HZ2 LYS A 125 13.583 -4.786 -3.688 1.00 -0.85 H new ATOM 0 HZ3 LYS A 125 14.758 -3.928 -4.563 1.00 -0.85 H new ATOM 1950 N LEU A 126 16.445 0.886 -0.819 1.00 -0.73 N ATOM 1951 CA LEU A 126 17.668 1.490 -0.281 1.00 0.36 C ATOM 1952 C LEU A 126 17.757 1.349 1.253 1.00 0.57 C ATOM 1953 O LEU A 126 18.513 2.020 1.949 1.00 -0.57 O ATOM 1954 CB LEU A 126 17.916 2.920 -0.792 1.00 0.00 C ATOM 1955 CG LEU A 126 17.093 4.067 -0.170 1.00 0.00 C ATOM 1956 CD1 LEU A 126 17.417 5.374 -0.904 1.00 0.00 C ATOM 1957 CD2 LEU A 126 15.586 3.841 -0.191 1.00 0.00 C ATOM 0 H LEU A 126 15.671 0.833 -0.157 1.00 -0.73 H new ATOM 0 HA LEU A 126 18.502 0.913 -0.681 1.00 0.36 H new ATOM 0 HB2 LEU A 126 18.971 3.149 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 126 17.736 2.926 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 126 17.379 4.113 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 126 16.838 6.189 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 126 18.481 5.592 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 126 17.163 5.271 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 126 15.084 4.694 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.249 3.730 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 126 15.346 2.937 0.369 1.00 0.00 H new ATOM 1969 N ALA A 127 17.020 0.303 1.766 1.00 -0.73 N ATOM 1970 CA ALA A 127 17.020 -0.050 3.182 1.00 0.36 C ATOM 1971 C ALA A 127 16.587 -1.512 3.310 1.00 0.66 C ATOM 1972 O ALA A 127 16.103 -2.207 2.425 1.00 -0.57 O ATOM 1973 CB ALA A 127 16.068 0.848 3.952 1.00 0.00 C ATOM 1974 OXT ALA A 127 16.788 -2.015 4.544 1.00 -0.65 O ATOM 0 H ALA A 127 16.425 -0.296 1.193 1.00 -0.73 H new ATOM 0 HA ALA A 127 18.018 0.084 3.598 1.00 0.36 H new ATOM 0 HB1 ALA A 127 16.080 0.572 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 127 16.381 1.887 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.059 0.731 3.558 1.00 0.00 H new