USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 906 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 130 GLN : amide:sc= -0.704 K(o=0.45,f=-2.6!) USER MOD Set 1.2: A 135 TYR OH : rot -146:sc= 1.16 USER MOD Set 2.1: A 75 TYR OH : rot 150:sc= -0.461 USER MOD Set 2.2: A 79 MET CE :methyl 180:sc= -0.375 (180deg=-0.375) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -168:sc= 1.27 (180deg=0.754) USER MOD Set 3.2: A 74 ASN : amide:sc= -1.22 K(o=0.24,f=-5.9!) USER MOD Set 3.3: A 77 GLN : amide:sc= 0.197 K(o=0.24,f=-2) USER MOD Set 4.1: A 37 CYS SG : rot 84:sc= 0.35 USER MOD Set 4.2: A 41 MET CE :methyl -142:sc= -0.143 (180deg=-0.687) USER MOD Set 5.1: A 31 LYS NZ :NH3+ 163:sc= 2.23 (180deg=1.24) USER MOD Set 5.2: A 56 TYR OH : rot 73:sc= -1.04! USER MOD Set 6.1: A 15 LYS NZ :NH3+ 163:sc= 1.72 (180deg=1.78) USER MOD Set 6.2: A 25 HIS : no HE2:sc= 0.333 K(o=2.1,f=-4.7!) USER MOD Set 7.1: A 10 GLN : amide:sc= -3.37! C(o=-4!,f=-2.1!) USER MOD Set 7.2: A 83 ASN : amide:sc= -0.602 K(o=-4,f=-2.1) USER MOD Single : A 7 THR OG1 : rot 133:sc= 0.945 USER MOD Single : A 11 MET CE :methyl -173:sc= 0 (180deg=-0.0918) USER MOD Single : A 12 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.048) USER MOD Single : A 16 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 17 SER OG : rot 54:sc= 0.476 USER MOD Single : A 24 ASN : amide:sc= 1.2 K(o=1.2,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -64:sc= 1.09 USER MOD Single : A 40 SER OG : rot -143:sc= 0.197 USER MOD Single : A 49 THR OG1 : rot 38:sc= 0.273 USER MOD Single : A 55 GLN : amide:sc= 0.413 K(o=0.41,f=-0.46) USER MOD Single : A 60 TYR OH : rot 130:sc= -0.285 USER MOD Single : A 61 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 64 THR OG1 : rot -157:sc= 1.13 USER MOD Single : A 68 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.075) USER MOD Single : A 71 SER OG : rot -117:sc= 1.05 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.0608 USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= -2.42! (180deg=-3.5!) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -2.32! (180deg=-3.18!) USER MOD Single : A 93 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 97 SER OG : rot 77:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 70:sc= 0.182 USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.522 (180deg=0.297) USER MOD Single : A 105 SER OG : rot 72:sc= 1.22 USER MOD Single : A 107 THR OG1 : rot -69:sc= 0.914 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 111 MET CE :methyl -171:sc= -0.556 (180deg=-1.03) USER MOD Single : A 112 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.5!) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= 0.249 (180deg=0.126) USER MOD Single : A 116 MET CE :methyl -167:sc= -0.491 (180deg=-0.944) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 120 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.28) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= 2.36 (180deg=1.69) USER MOD Single : A 127 ASN : amide:sc= -0.0081 K(o=-0.0081,f=-1) USER MOD Single : A 137 TYR OH : rot -155:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -13.791 14.230 4.657 1.00 73.42 N ATOM 41 CA GLY A 5 -13.118 13.748 5.843 1.00 61.44 C ATOM 42 C GLY A 5 -11.832 13.064 5.464 1.00 32.32 C ATOM 43 O GLY A 5 -10.945 12.875 6.280 1.00 24.50 O ATOM 0 HA2 GLY A 5 -12.912 14.579 6.517 1.00 61.44 H new ATOM 0 HA3 GLY A 5 -13.764 13.054 6.381 1.00 61.44 H new ATOM 47 N VAL A 6 -11.775 12.642 4.226 1.00 44.10 N ATOM 48 CA VAL A 6 -10.602 12.049 3.668 1.00 22.54 C ATOM 49 C VAL A 6 -10.048 13.000 2.637 1.00 1.21 C ATOM 50 O VAL A 6 -10.772 13.904 2.181 1.00 32.14 O ATOM 51 CB VAL A 6 -10.896 10.646 3.059 1.00 52.13 C ATOM 52 CG1 VAL A 6 -11.727 10.704 1.789 1.00 22.41 C ATOM 53 CG2 VAL A 6 -9.627 9.859 2.849 1.00 63.11 C ATOM 0 H VAL A 6 -12.557 12.705 3.574 1.00 44.10 H new ATOM 0 HA VAL A 6 -9.864 11.882 4.453 1.00 22.54 H new ATOM 0 HB VAL A 6 -11.505 10.121 3.795 1.00 52.13 H new ATOM 0 HG11 VAL A 6 -11.895 9.693 1.418 1.00 22.41 H new ATOM 0 HG12 VAL A 6 -12.686 11.176 2.003 1.00 22.41 H new ATOM 0 HG13 VAL A 6 -11.197 11.285 1.034 1.00 22.41 H new ATOM 0 HG21 VAL A 6 -9.869 8.885 2.423 1.00 63.11 H new ATOM 0 HG22 VAL A 6 -8.972 10.401 2.167 1.00 63.11 H new ATOM 0 HG23 VAL A 6 -9.122 9.721 3.805 1.00 63.11 H new ATOM 63 N THR A 7 -8.799 12.824 2.313 1.00 53.52 N ATOM 64 CA THR A 7 -8.108 13.613 1.329 1.00 1.24 C ATOM 65 C THR A 7 -8.883 13.654 -0.019 1.00 20.12 C ATOM 66 O THR A 7 -9.481 12.632 -0.469 1.00 64.13 O ATOM 67 CB THR A 7 -6.611 13.118 1.147 1.00 14.45 C ATOM 68 OG1 THR A 7 -6.280 12.942 -0.214 1.00 71.43 O ATOM 69 CG2 THR A 7 -6.299 11.828 1.916 1.00 55.22 C ATOM 0 H THR A 7 -8.214 12.105 2.739 1.00 53.52 H new ATOM 0 HA THR A 7 -8.064 14.639 1.694 1.00 1.24 H new ATOM 0 HB THR A 7 -5.997 13.913 1.570 1.00 14.45 H new ATOM 0 HG1 THR A 7 -5.416 13.366 -0.398 1.00 71.43 H new ATOM 0 HG21 THR A 7 -5.260 11.546 1.747 1.00 55.22 H new ATOM 0 HG22 THR A 7 -6.463 11.991 2.981 1.00 55.22 H new ATOM 0 HG23 THR A 7 -6.953 11.029 1.566 1.00 55.22 H new ATOM 77 N ALA A 8 -8.885 14.820 -0.654 1.00 41.35 N ATOM 78 CA ALA A 8 -9.600 15.014 -1.902 1.00 41.53 C ATOM 79 C ALA A 8 -8.887 14.248 -2.984 1.00 54.01 C ATOM 80 O ALA A 8 -9.500 13.734 -3.924 1.00 14.44 O ATOM 81 CB ALA A 8 -9.682 16.494 -2.247 1.00 72.11 C ATOM 0 H ALA A 8 -8.394 15.649 -0.319 1.00 41.35 H new ATOM 0 HA ALA A 8 -10.621 14.645 -1.806 1.00 41.53 H new ATOM 0 HB1 ALA A 8 -10.221 16.619 -3.186 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -10.208 17.024 -1.453 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -8.676 16.900 -2.350 1.00 72.11 H new ATOM 87 N GLU A 9 -7.591 14.159 -2.814 1.00 73.41 N ATOM 88 CA GLU A 9 -6.726 13.395 -3.662 1.00 52.44 C ATOM 89 C GLU A 9 -7.134 11.926 -3.561 1.00 42.04 C ATOM 90 O GLU A 9 -7.204 11.225 -4.574 1.00 34.40 O ATOM 91 CB GLU A 9 -5.232 13.550 -3.262 1.00 72.23 C ATOM 92 CG GLU A 9 -4.769 14.978 -2.914 1.00 13.22 C ATOM 93 CD GLU A 9 -5.245 15.408 -1.536 1.00 0.52 C ATOM 94 OE1 GLU A 9 -4.643 14.978 -0.547 1.00 31.24 O ATOM 95 OE2 GLU A 9 -6.300 16.066 -1.435 1.00 13.20 O ATOM 0 H GLU A 9 -7.099 14.633 -2.057 1.00 73.41 H new ATOM 0 HA GLU A 9 -6.827 13.761 -4.684 1.00 52.44 H new ATOM 0 HB2 GLU A 9 -5.038 12.907 -2.403 1.00 72.23 H new ATOM 0 HB3 GLU A 9 -4.617 13.180 -4.082 1.00 72.23 H new ATOM 0 HG2 GLU A 9 -3.681 15.027 -2.954 1.00 13.22 H new ATOM 0 HG3 GLU A 9 -5.147 15.675 -3.662 1.00 13.22 H new ATOM 102 N GLN A 10 -7.457 11.455 -2.330 1.00 62.21 N ATOM 103 CA GLN A 10 -7.916 10.078 -2.174 1.00 1.42 C ATOM 104 C GLN A 10 -9.169 9.903 -2.927 1.00 15.14 C ATOM 105 O GLN A 10 -9.349 8.916 -3.584 1.00 5.21 O ATOM 106 CB GLN A 10 -8.223 9.627 -0.762 1.00 64.21 C ATOM 107 CG GLN A 10 -8.230 8.111 -0.736 1.00 31.03 C ATOM 108 CD GLN A 10 -8.590 7.522 0.612 1.00 44.25 C ATOM 109 OE1 GLN A 10 -9.759 7.244 0.896 1.00 63.13 O ATOM 110 NE2 GLN A 10 -7.603 7.358 1.452 1.00 75.14 N ATOM 0 H GLN A 10 -7.407 11.997 -1.467 1.00 62.21 H new ATOM 0 HA GLN A 10 -7.077 9.481 -2.531 1.00 1.42 H new ATOM 0 HB2 GLN A 10 -7.476 10.015 -0.069 1.00 64.21 H new ATOM 0 HB3 GLN A 10 -9.189 10.017 -0.441 1.00 64.21 H new ATOM 0 HG2 GLN A 10 -8.938 7.748 -1.481 1.00 31.03 H new ATOM 0 HG3 GLN A 10 -7.245 7.748 -1.029 1.00 31.03 H new ATOM 0 HE21 GLN A 10 -6.652 7.601 1.175 1.00 75.14 H new ATOM 0 HE22 GLN A 10 -7.783 6.987 2.385 1.00 75.14 H new ATOM 119 N MET A 11 -10.036 10.884 -2.844 1.00 41.42 N ATOM 120 CA MET A 11 -11.300 10.841 -3.565 1.00 35.43 C ATOM 121 C MET A 11 -11.084 10.721 -5.071 1.00 33.21 C ATOM 122 O MET A 11 -11.968 10.290 -5.794 1.00 33.00 O ATOM 123 CB MET A 11 -12.180 12.044 -3.237 1.00 15.03 C ATOM 124 CG MET A 11 -12.667 12.068 -1.807 1.00 2.21 C ATOM 125 SD MET A 11 -13.655 13.520 -1.425 1.00 41.32 S ATOM 126 CE MET A 11 -14.143 13.125 0.243 1.00 12.45 C ATOM 0 H MET A 11 -9.895 11.726 -2.285 1.00 41.42 H new ATOM 0 HA MET A 11 -11.824 9.946 -3.230 1.00 35.43 H new ATOM 0 HB2 MET A 11 -11.620 12.958 -3.436 1.00 15.03 H new ATOM 0 HB3 MET A 11 -13.041 12.046 -3.905 1.00 15.03 H new ATOM 0 HG2 MET A 11 -13.258 11.173 -1.615 1.00 2.21 H new ATOM 0 HG3 MET A 11 -11.809 12.033 -1.136 1.00 2.21 H new ATOM 0 HE1 MET A 11 -14.865 13.862 0.595 1.00 12.45 H new ATOM 0 HE2 MET A 11 -14.596 12.134 0.265 1.00 12.45 H new ATOM 0 HE3 MET A 11 -13.267 13.138 0.891 1.00 12.45 H new ATOM 136 N GLN A 12 -9.897 11.086 -5.531 1.00 45.34 N ATOM 137 CA GLN A 12 -9.558 10.953 -6.920 1.00 11.44 C ATOM 138 C GLN A 12 -8.901 9.591 -7.165 1.00 60.43 C ATOM 139 O GLN A 12 -9.124 8.975 -8.204 1.00 53.31 O ATOM 140 CB GLN A 12 -8.612 12.077 -7.379 1.00 0.30 C ATOM 141 CG GLN A 12 -9.127 13.498 -7.144 1.00 32.12 C ATOM 142 CD GLN A 12 -10.479 13.763 -7.782 1.00 42.52 C ATOM 143 OE1 GLN A 12 -10.567 14.169 -8.927 1.00 35.34 O ATOM 144 NE2 GLN A 12 -11.531 13.569 -7.032 1.00 53.32 N ATOM 0 H GLN A 12 -9.155 11.478 -4.950 1.00 45.34 H new ATOM 0 HA GLN A 12 -10.478 11.028 -7.500 1.00 11.44 H new ATOM 0 HB2 GLN A 12 -7.660 11.963 -6.861 1.00 0.30 H new ATOM 0 HB3 GLN A 12 -8.413 11.951 -8.443 1.00 0.30 H new ATOM 0 HG2 GLN A 12 -9.198 13.678 -6.071 1.00 32.12 H new ATOM 0 HG3 GLN A 12 -8.402 14.209 -7.539 1.00 32.12 H new ATOM 0 HE21 GLN A 12 -11.421 13.228 -6.077 1.00 53.32 H new ATOM 0 HE22 GLN A 12 -12.463 13.759 -7.401 1.00 53.32 H new ATOM 153 N GLU A 13 -8.144 9.079 -6.177 1.00 52.15 N ATOM 154 CA GLU A 13 -7.419 7.841 -6.398 1.00 51.43 C ATOM 155 C GLU A 13 -8.302 6.641 -6.145 1.00 1.44 C ATOM 156 O GLU A 13 -8.348 5.721 -6.943 1.00 41.44 O ATOM 157 CB GLU A 13 -6.120 7.782 -5.579 1.00 54.04 C ATOM 158 CG GLU A 13 -5.311 6.504 -5.801 1.00 22.31 C ATOM 159 CD GLU A 13 -5.137 6.183 -7.277 1.00 35.40 C ATOM 160 OE1 GLU A 13 -4.428 6.928 -7.974 1.00 54.21 O ATOM 161 OE2 GLU A 13 -5.748 5.190 -7.747 1.00 24.30 O ATOM 0 H GLU A 13 -8.028 9.495 -5.253 1.00 52.15 H new ATOM 0 HA GLU A 13 -7.125 7.816 -7.447 1.00 51.43 H new ATOM 0 HB2 GLU A 13 -5.501 8.642 -5.834 1.00 54.04 H new ATOM 0 HB3 GLU A 13 -6.364 7.868 -4.520 1.00 54.04 H new ATOM 0 HG2 GLU A 13 -4.331 6.611 -5.336 1.00 22.31 H new ATOM 0 HG3 GLU A 13 -5.809 5.670 -5.306 1.00 22.31 H new ATOM 168 N PHE A 14 -9.101 6.699 -5.098 1.00 22.12 N ATOM 169 CA PHE A 14 -9.952 5.596 -4.776 1.00 2.23 C ATOM 170 C PHE A 14 -10.992 5.458 -5.870 1.00 63.20 C ATOM 171 O PHE A 14 -11.480 4.381 -6.148 1.00 60.23 O ATOM 172 CB PHE A 14 -10.502 5.673 -3.319 1.00 21.15 C ATOM 173 CG PHE A 14 -11.737 6.413 -3.110 1.00 3.14 C ATOM 174 CD1 PHE A 14 -12.863 5.921 -3.620 1.00 54.14 C ATOM 175 CD2 PHE A 14 -11.778 7.559 -2.390 1.00 44.13 C ATOM 176 CE1 PHE A 14 -14.011 6.503 -3.471 1.00 22.44 C ATOM 177 CE2 PHE A 14 -12.955 8.194 -2.207 1.00 21.31 C ATOM 178 CZ PHE A 14 -14.105 7.665 -2.755 1.00 65.13 C ATOM 0 H PHE A 14 -9.171 7.497 -4.466 1.00 22.12 H new ATOM 0 HA PHE A 14 -9.386 4.665 -4.760 1.00 2.23 H new ATOM 0 HB2 PHE A 14 -10.655 4.655 -2.962 1.00 21.15 H new ATOM 0 HB3 PHE A 14 -9.731 6.119 -2.691 1.00 21.15 H new ATOM 0 HD1 PHE A 14 -12.818 4.999 -4.181 1.00 54.14 H new ATOM 0 HD2 PHE A 14 -10.872 7.964 -1.964 1.00 44.13 H new ATOM 0 HE1 PHE A 14 -14.896 6.070 -3.913 1.00 22.44 H new ATOM 0 HE2 PHE A 14 -12.996 9.110 -1.636 1.00 21.31 H new ATOM 0 HZ PHE A 14 -15.057 8.157 -2.622 1.00 65.13 H new ATOM 188 N LYS A 15 -11.247 6.580 -6.527 1.00 64.04 N ATOM 189 CA LYS A 15 -12.067 6.643 -7.696 1.00 24.31 C ATOM 190 C LYS A 15 -11.446 5.815 -8.816 1.00 63.10 C ATOM 191 O LYS A 15 -12.127 5.023 -9.404 1.00 72.30 O ATOM 192 CB LYS A 15 -12.306 8.135 -8.077 1.00 41.21 C ATOM 193 CG LYS A 15 -12.355 8.529 -9.590 1.00 13.34 C ATOM 194 CD LYS A 15 -13.412 7.810 -10.446 1.00 53.13 C ATOM 195 CE LYS A 15 -14.848 8.114 -10.060 1.00 51.43 C ATOM 196 NZ LYS A 15 -15.786 7.431 -10.985 1.00 43.41 N ATOM 0 H LYS A 15 -10.874 7.486 -6.243 1.00 64.04 H new ATOM 0 HA LYS A 15 -13.047 6.205 -7.505 1.00 24.31 H new ATOM 0 HB2 LYS A 15 -13.249 8.444 -7.625 1.00 41.21 H new ATOM 0 HB3 LYS A 15 -11.519 8.725 -7.608 1.00 41.21 H new ATOM 0 HG2 LYS A 15 -12.531 9.602 -9.659 1.00 13.34 H new ATOM 0 HG3 LYS A 15 -11.374 8.338 -10.025 1.00 13.34 H new ATOM 0 HD2 LYS A 15 -13.264 8.085 -11.490 1.00 53.13 H new ATOM 0 HD3 LYS A 15 -13.250 6.735 -10.374 1.00 53.13 H new ATOM 0 HE2 LYS A 15 -15.033 7.787 -9.037 1.00 51.43 H new ATOM 0 HE3 LYS A 15 -15.019 9.190 -10.087 1.00 51.43 H new ATOM 0 HZ1 LYS A 15 -16.734 7.402 -10.559 1.00 43.41 H new ATOM 0 HZ2 LYS A 15 -15.827 7.951 -11.885 1.00 43.41 H new ATOM 0 HZ3 LYS A 15 -15.455 6.461 -11.161 1.00 43.41 H new ATOM 210 N GLN A 16 -10.142 5.942 -9.030 1.00 50.05 N ATOM 211 CA GLN A 16 -9.471 5.236 -10.125 1.00 71.41 C ATOM 212 C GLN A 16 -9.426 3.754 -9.780 1.00 61.43 C ATOM 213 O GLN A 16 -9.826 2.874 -10.583 1.00 11.11 O ATOM 214 CB GLN A 16 -8.032 5.731 -10.276 1.00 21.40 C ATOM 215 CG GLN A 16 -7.382 5.341 -11.598 1.00 53.33 C ATOM 216 CD GLN A 16 -5.858 5.407 -11.585 1.00 23.51 C ATOM 217 OE1 GLN A 16 -5.200 4.709 -12.355 1.00 73.23 O ATOM 218 NE2 GLN A 16 -5.290 6.144 -10.669 1.00 62.31 N ATOM 0 H GLN A 16 -9.526 6.525 -8.464 1.00 50.05 H new ATOM 0 HA GLN A 16 -10.015 5.414 -11.053 1.00 71.41 H new ATOM 0 HB2 GLN A 16 -8.020 6.817 -10.182 1.00 21.40 H new ATOM 0 HB3 GLN A 16 -7.433 5.334 -9.456 1.00 21.40 H new ATOM 0 HG2 GLN A 16 -7.689 4.328 -11.857 1.00 53.33 H new ATOM 0 HG3 GLN A 16 -7.757 5.998 -12.383 1.00 53.33 H new ATOM 0 HE21 GLN A 16 -5.862 6.713 -10.045 1.00 62.31 H new ATOM 0 HE22 GLN A 16 -4.274 6.151 -10.578 1.00 62.31 H new ATOM 227 N SER A 17 -8.972 3.499 -8.566 1.00 14.03 N ATOM 228 CA SER A 17 -8.839 2.179 -8.036 1.00 65.12 C ATOM 229 C SER A 17 -10.175 1.413 -8.017 1.00 21.34 C ATOM 230 O SER A 17 -10.186 0.190 -8.209 1.00 44.13 O ATOM 231 CB SER A 17 -8.206 2.227 -6.651 1.00 10.43 C ATOM 232 OG SER A 17 -6.886 2.781 -6.685 1.00 71.40 O ATOM 0 H SER A 17 -8.682 4.230 -7.916 1.00 14.03 H new ATOM 0 HA SER A 17 -8.179 1.624 -8.703 1.00 65.12 H new ATOM 0 HB2 SER A 17 -8.832 2.822 -5.986 1.00 10.43 H new ATOM 0 HB3 SER A 17 -8.166 1.220 -6.235 1.00 10.43 H new ATOM 0 HG SER A 17 -6.910 3.657 -7.123 1.00 71.40 H new ATOM 238 N PHE A 18 -11.305 2.096 -7.778 1.00 1.32 N ATOM 239 CA PHE A 18 -12.549 1.378 -7.859 1.00 62.54 C ATOM 240 C PHE A 18 -12.984 1.224 -9.286 1.00 74.12 C ATOM 241 O PHE A 18 -13.371 0.162 -9.684 1.00 33.13 O ATOM 242 CB PHE A 18 -13.715 1.929 -6.991 1.00 34.33 C ATOM 243 CG PHE A 18 -14.466 3.220 -7.354 1.00 75.05 C ATOM 244 CD1 PHE A 18 -15.170 3.373 -8.563 1.00 4.22 C ATOM 245 CD2 PHE A 18 -14.545 4.240 -6.437 1.00 53.45 C ATOM 246 CE1 PHE A 18 -15.884 4.501 -8.818 1.00 42.21 C ATOM 247 CE2 PHE A 18 -15.266 5.379 -6.708 1.00 12.21 C ATOM 248 CZ PHE A 18 -15.931 5.500 -7.901 1.00 52.54 C ATOM 0 H PHE A 18 -11.369 3.086 -7.542 1.00 1.32 H new ATOM 0 HA PHE A 18 -12.322 0.405 -7.423 1.00 62.54 H new ATOM 0 HB2 PHE A 18 -14.462 1.138 -6.931 1.00 34.33 H new ATOM 0 HB3 PHE A 18 -13.318 2.069 -5.986 1.00 34.33 H new ATOM 0 HD1 PHE A 18 -15.142 2.583 -9.299 1.00 4.22 H new ATOM 0 HD2 PHE A 18 -14.034 4.146 -5.490 1.00 53.45 H new ATOM 0 HE1 PHE A 18 -16.415 4.602 -9.753 1.00 42.21 H new ATOM 0 HE2 PHE A 18 -15.308 6.177 -5.982 1.00 12.21 H new ATOM 0 HZ PHE A 18 -16.496 6.396 -8.112 1.00 52.54 H new ATOM 258 N ASP A 19 -12.812 2.301 -10.054 1.00 12.13 N ATOM 259 CA ASP A 19 -13.323 2.456 -11.436 1.00 44.14 C ATOM 260 C ASP A 19 -12.840 1.367 -12.330 1.00 32.24 C ATOM 261 O ASP A 19 -13.563 0.883 -13.183 1.00 31.43 O ATOM 262 CB ASP A 19 -12.856 3.783 -11.985 1.00 1.25 C ATOM 263 CG ASP A 19 -13.969 4.628 -12.549 1.00 42.13 C ATOM 264 OD1 ASP A 19 -14.769 5.196 -11.752 1.00 30.43 O ATOM 265 OD2 ASP A 19 -14.029 4.821 -13.767 1.00 74.21 O ATOM 0 H ASP A 19 -12.298 3.121 -9.730 1.00 12.13 H new ATOM 0 HA ASP A 19 -14.411 2.408 -11.402 1.00 44.14 H new ATOM 0 HB2 ASP A 19 -12.355 4.339 -11.192 1.00 1.25 H new ATOM 0 HB3 ASP A 19 -12.116 3.604 -12.765 1.00 1.25 H new ATOM 270 N ALA A 20 -11.598 0.981 -12.129 1.00 43.44 N ATOM 271 CA ALA A 20 -11.017 -0.107 -12.881 1.00 13.44 C ATOM 272 C ALA A 20 -11.840 -1.400 -12.698 1.00 23.42 C ATOM 273 O ALA A 20 -12.045 -2.162 -13.636 1.00 42.12 O ATOM 274 CB ALA A 20 -9.578 -0.325 -12.422 1.00 15.33 C ATOM 0 H ALA A 20 -10.970 1.408 -11.448 1.00 43.44 H new ATOM 0 HA ALA A 20 -11.026 0.149 -13.940 1.00 13.44 H new ATOM 0 HB1 ALA A 20 -9.136 -1.145 -12.987 1.00 15.33 H new ATOM 0 HB2 ALA A 20 -9.001 0.584 -12.590 1.00 15.33 H new ATOM 0 HB3 ALA A 20 -9.568 -0.570 -11.360 1.00 15.33 H new ATOM 280 N PHE A 21 -12.265 -1.633 -11.475 1.00 3.10 N ATOM 281 CA PHE A 21 -12.984 -2.837 -11.097 1.00 50.23 C ATOM 282 C PHE A 21 -14.497 -2.624 -10.908 1.00 44.23 C ATOM 283 O PHE A 21 -15.176 -3.512 -10.405 1.00 5.30 O ATOM 284 CB PHE A 21 -12.350 -3.417 -9.849 1.00 51.42 C ATOM 285 CG PHE A 21 -10.866 -3.625 -10.000 1.00 51.53 C ATOM 286 CD1 PHE A 21 -10.372 -4.569 -10.880 1.00 34.02 C ATOM 287 CD2 PHE A 21 -9.970 -2.858 -9.274 1.00 23.44 C ATOM 288 CE1 PHE A 21 -9.013 -4.743 -11.034 1.00 35.03 C ATOM 289 CE2 PHE A 21 -8.610 -3.031 -9.418 1.00 34.25 C ATOM 290 CZ PHE A 21 -8.130 -3.973 -10.301 1.00 23.04 C ATOM 0 H PHE A 21 -12.120 -0.984 -10.702 1.00 3.10 H new ATOM 0 HA PHE A 21 -12.900 -3.542 -11.924 1.00 50.23 H new ATOM 0 HB2 PHE A 21 -12.536 -2.750 -9.007 1.00 51.42 H new ATOM 0 HB3 PHE A 21 -12.825 -4.369 -9.613 1.00 51.42 H new ATOM 0 HD1 PHE A 21 -11.057 -5.176 -11.453 1.00 34.02 H new ATOM 0 HD2 PHE A 21 -10.342 -2.114 -8.585 1.00 23.44 H new ATOM 0 HE1 PHE A 21 -8.638 -5.481 -11.728 1.00 35.03 H new ATOM 0 HE2 PHE A 21 -7.923 -2.430 -8.840 1.00 34.25 H new ATOM 0 HZ PHE A 21 -7.065 -4.110 -10.420 1.00 23.04 H new ATOM 300 N ASP A 22 -15.000 -1.470 -11.295 1.00 21.34 N ATOM 301 CA ASP A 22 -16.416 -1.124 -11.085 1.00 43.14 C ATOM 302 C ASP A 22 -17.002 -0.503 -12.318 1.00 44.04 C ATOM 303 O ASP A 22 -16.474 0.472 -12.846 1.00 24.41 O ATOM 304 CB ASP A 22 -16.582 -0.156 -9.894 1.00 1.33 C ATOM 305 CG ASP A 22 -17.984 0.449 -9.791 1.00 65.33 C ATOM 306 OD1 ASP A 22 -18.894 -0.188 -9.230 1.00 73.52 O ATOM 307 OD2 ASP A 22 -18.190 1.573 -10.283 1.00 12.22 O ATOM 0 H ASP A 22 -14.457 -0.743 -11.760 1.00 21.34 H new ATOM 0 HA ASP A 22 -16.948 -2.049 -10.863 1.00 43.14 H new ATOM 0 HB2 ASP A 22 -16.355 -0.687 -8.970 1.00 1.33 H new ATOM 0 HB3 ASP A 22 -15.853 0.649 -9.986 1.00 1.33 H new ATOM 312 N GLY A 23 -18.079 -1.060 -12.783 1.00 55.31 N ATOM 313 CA GLY A 23 -18.717 -0.534 -13.947 1.00 33.50 C ATOM 314 C GLY A 23 -19.832 0.456 -13.647 1.00 43.11 C ATOM 315 O GLY A 23 -20.684 0.692 -14.510 1.00 61.44 O ATOM 0 H GLY A 23 -18.532 -1.877 -12.374 1.00 55.31 H new ATOM 0 HA2 GLY A 23 -17.968 -0.044 -14.569 1.00 33.50 H new ATOM 0 HA3 GLY A 23 -19.125 -1.360 -14.530 1.00 33.50 H new ATOM 319 N ASN A 24 -19.854 1.051 -12.453 1.00 31.20 N ATOM 320 CA ASN A 24 -20.922 2.002 -12.149 1.00 5.35 C ATOM 321 C ASN A 24 -20.374 3.422 -12.118 1.00 53.24 C ATOM 322 O ASN A 24 -21.101 4.371 -12.401 1.00 33.35 O ATOM 323 CB ASN A 24 -21.558 1.695 -10.773 1.00 31.02 C ATOM 324 CG ASN A 24 -22.153 0.300 -10.664 1.00 42.31 C ATOM 325 OD1 ASN A 24 -23.322 0.084 -10.985 1.00 20.42 O ATOM 326 ND2 ASN A 24 -21.375 -0.643 -10.181 1.00 22.14 N ATOM 0 H ASN A 24 -19.174 0.900 -11.708 1.00 31.20 H new ATOM 0 HA ASN A 24 -21.677 1.909 -12.930 1.00 5.35 H new ATOM 0 HB2 ASN A 24 -20.801 1.817 -9.999 1.00 31.02 H new ATOM 0 HB3 ASN A 24 -22.339 2.429 -10.573 1.00 31.02 H new ATOM 0 HD21 ASN A 24 -21.735 -1.590 -10.062 1.00 22.14 H new ATOM 0 HD22 ASN A 24 -20.411 -0.428 -9.926 1.00 22.14 H new ATOM 333 N HIS A 25 -19.062 3.548 -11.841 1.00 13.40 N ATOM 334 CA HIS A 25 -18.289 4.818 -11.891 1.00 35.13 C ATOM 335 C HIS A 25 -18.958 6.003 -11.078 1.00 70.33 C ATOM 336 O HIS A 25 -18.516 7.155 -11.147 1.00 22.24 O ATOM 337 CB HIS A 25 -18.040 5.137 -13.406 1.00 22.11 C ATOM 338 CG HIS A 25 -17.340 6.437 -13.789 1.00 54.04 C ATOM 339 ND1 HIS A 25 -16.002 6.533 -14.084 1.00 32.31 N ATOM 340 CD2 HIS A 25 -17.840 7.688 -13.984 1.00 72.22 C ATOM 341 CE1 HIS A 25 -15.729 7.780 -14.438 1.00 10.32 C ATOM 342 NE2 HIS A 25 -16.810 8.533 -14.391 1.00 35.40 N ATOM 0 H HIS A 25 -18.488 2.750 -11.568 1.00 13.40 H new ATOM 0 HA HIS A 25 -17.334 4.699 -11.379 1.00 35.13 H new ATOM 0 HB2 HIS A 25 -17.457 4.316 -13.822 1.00 22.11 H new ATOM 0 HB3 HIS A 25 -19.008 5.126 -13.907 1.00 22.11 H new ATOM 0 HD1 HIS A 25 -15.328 5.769 -14.038 1.00 32.31 H new ATOM 0 HD2 HIS A 25 -18.871 7.979 -13.845 1.00 72.22 H new ATOM 0 HE1 HIS A 25 -14.750 8.133 -14.727 1.00 10.32 H new ATOM 350 N ASP A 26 -19.862 5.662 -10.181 1.00 23.44 N ATOM 351 CA ASP A 26 -20.709 6.652 -9.454 1.00 11.22 C ATOM 352 C ASP A 26 -19.962 7.424 -8.361 1.00 1.33 C ATOM 353 O ASP A 26 -20.170 8.617 -8.161 1.00 64.43 O ATOM 354 CB ASP A 26 -21.903 5.911 -8.829 1.00 2.52 C ATOM 355 CG ASP A 26 -22.750 6.782 -7.916 1.00 64.21 C ATOM 356 OD1 ASP A 26 -22.385 6.911 -6.725 1.00 30.22 O ATOM 357 OD2 ASP A 26 -23.783 7.297 -8.373 1.00 15.13 O ATOM 0 H ASP A 26 -20.048 4.694 -9.918 1.00 23.44 H new ATOM 0 HA ASP A 26 -21.031 7.394 -10.185 1.00 11.22 H new ATOM 0 HB2 ASP A 26 -22.532 5.516 -9.626 1.00 2.52 H new ATOM 0 HB3 ASP A 26 -21.533 5.057 -8.262 1.00 2.52 H new ATOM 362 N GLY A 27 -19.001 6.788 -7.778 1.00 1.04 N ATOM 363 CA GLY A 27 -18.369 7.324 -6.588 1.00 42.24 C ATOM 364 C GLY A 27 -18.686 6.427 -5.441 1.00 3.45 C ATOM 365 O GLY A 27 -17.913 6.333 -4.484 1.00 21.21 O ATOM 0 H GLY A 27 -18.626 5.894 -8.096 1.00 1.04 H new ATOM 0 HA2 GLY A 27 -17.290 7.392 -6.729 1.00 42.24 H new ATOM 0 HA3 GLY A 27 -18.728 8.334 -6.390 1.00 42.24 H new ATOM 369 N ILE A 28 -19.802 5.743 -5.537 1.00 11.50 N ATOM 370 CA ILE A 28 -20.072 4.675 -4.626 1.00 4.14 C ATOM 371 C ILE A 28 -19.947 3.380 -5.441 1.00 75.52 C ATOM 372 O ILE A 28 -19.914 3.430 -6.679 1.00 40.41 O ATOM 373 CB ILE A 28 -21.483 4.739 -3.948 1.00 72.21 C ATOM 374 CG1 ILE A 28 -22.612 4.446 -4.959 1.00 63.21 C ATOM 375 CG2 ILE A 28 -21.696 6.098 -3.299 1.00 73.31 C ATOM 376 CD1 ILE A 28 -24.004 4.421 -4.354 1.00 32.14 C ATOM 0 H ILE A 28 -20.528 5.911 -6.234 1.00 11.50 H new ATOM 0 HA ILE A 28 -19.364 4.737 -3.800 1.00 4.14 H new ATOM 0 HB ILE A 28 -21.517 3.968 -3.179 1.00 72.21 H new ATOM 0 HG12 ILE A 28 -22.584 5.201 -5.745 1.00 63.21 H new ATOM 0 HG13 ILE A 28 -22.418 3.484 -5.433 1.00 63.21 H new ATOM 0 HG21 ILE A 28 -22.680 6.128 -2.832 1.00 73.31 H new ATOM 0 HG22 ILE A 28 -20.930 6.264 -2.542 1.00 73.31 H new ATOM 0 HG23 ILE A 28 -21.631 6.878 -4.058 1.00 73.31 H new ATOM 0 HD11 ILE A 28 -24.736 4.209 -5.133 1.00 32.14 H new ATOM 0 HD12 ILE A 28 -24.054 3.647 -3.588 1.00 32.14 H new ATOM 0 HD13 ILE A 28 -24.223 5.390 -3.905 1.00 32.14 H new ATOM 388 N LEU A 29 -19.850 2.255 -4.787 1.00 42.21 N ATOM 389 CA LEU A 29 -19.599 1.018 -5.483 1.00 75.32 C ATOM 390 C LEU A 29 -20.571 -0.111 -5.024 1.00 25.45 C ATOM 391 O LEU A 29 -21.028 -0.119 -3.875 1.00 4.40 O ATOM 392 CB LEU A 29 -18.158 0.658 -5.185 1.00 75.14 C ATOM 393 CG LEU A 29 -17.346 -0.005 -6.251 1.00 33.43 C ATOM 394 CD1 LEU A 29 -15.962 -0.078 -5.781 1.00 13.12 C ATOM 395 CD2 LEU A 29 -17.810 -1.363 -6.511 1.00 31.32 C ATOM 0 H LEU A 29 -19.940 2.167 -3.775 1.00 42.21 H new ATOM 0 HA LEU A 29 -19.768 1.132 -6.554 1.00 75.32 H new ATOM 0 HB2 LEU A 29 -17.641 1.574 -4.898 1.00 75.14 H new ATOM 0 HB3 LEU A 29 -18.155 0.004 -4.313 1.00 75.14 H new ATOM 0 HG LEU A 29 -17.437 0.573 -7.171 1.00 33.43 H new ATOM 0 HD11 LEU A 29 -15.345 -0.558 -6.540 1.00 13.12 H new ATOM 0 HD12 LEU A 29 -15.588 0.928 -5.593 1.00 13.12 H new ATOM 0 HD13 LEU A 29 -15.921 -0.659 -4.859 1.00 13.12 H new ATOM 0 HD21 LEU A 29 -17.197 -1.814 -7.291 1.00 31.32 H new ATOM 0 HD22 LEU A 29 -17.731 -1.955 -5.599 1.00 31.32 H new ATOM 0 HD23 LEU A 29 -18.850 -1.336 -6.837 1.00 31.32 H new ATOM 407 N ASP A 30 -20.869 -1.042 -5.925 1.00 2.21 N ATOM 408 CA ASP A 30 -21.686 -2.250 -5.623 1.00 2.02 C ATOM 409 C ASP A 30 -20.882 -3.295 -4.784 1.00 61.15 C ATOM 410 O ASP A 30 -19.666 -3.240 -4.727 1.00 54.52 O ATOM 411 CB ASP A 30 -22.197 -2.889 -6.941 1.00 74.33 C ATOM 412 CG ASP A 30 -22.748 -4.288 -6.737 1.00 54.14 C ATOM 413 OD1 ASP A 30 -23.793 -4.431 -6.094 1.00 75.32 O ATOM 414 OD2 ASP A 30 -22.047 -5.252 -7.096 1.00 33.33 O ATOM 0 H ASP A 30 -20.557 -0.995 -6.895 1.00 2.21 H new ATOM 0 HA ASP A 30 -22.540 -1.936 -5.023 1.00 2.02 H new ATOM 0 HB2 ASP A 30 -22.974 -2.256 -7.370 1.00 74.33 H new ATOM 0 HB3 ASP A 30 -21.381 -2.926 -7.663 1.00 74.33 H new ATOM 419 N LYS A 31 -21.585 -4.246 -4.163 1.00 32.33 N ATOM 420 CA LYS A 31 -20.990 -5.282 -3.313 1.00 52.54 C ATOM 421 C LYS A 31 -20.097 -6.241 -4.142 1.00 73.10 C ATOM 422 O LYS A 31 -18.941 -6.559 -3.750 1.00 60.51 O ATOM 423 CB LYS A 31 -22.114 -6.106 -2.648 1.00 54.31 C ATOM 424 CG LYS A 31 -21.638 -7.137 -1.623 1.00 72.44 C ATOM 425 CD LYS A 31 -22.772 -8.062 -1.185 1.00 43.34 C ATOM 426 CE LYS A 31 -22.374 -8.973 -0.013 1.00 22.24 C ATOM 427 NZ LYS A 31 -21.280 -9.959 -0.310 1.00 0.11 N ATOM 0 H LYS A 31 -22.600 -4.319 -4.238 1.00 32.33 H new ATOM 0 HA LYS A 31 -20.375 -4.791 -2.559 1.00 52.54 H new ATOM 0 HB2 LYS A 31 -22.805 -5.421 -2.158 1.00 54.31 H new ATOM 0 HB3 LYS A 31 -22.675 -6.622 -3.427 1.00 54.31 H new ATOM 0 HG2 LYS A 31 -20.830 -7.730 -2.051 1.00 72.44 H new ATOM 0 HG3 LYS A 31 -21.230 -6.623 -0.752 1.00 72.44 H new ATOM 0 HD2 LYS A 31 -23.635 -7.461 -0.896 1.00 43.34 H new ATOM 0 HD3 LYS A 31 -23.080 -8.678 -2.030 1.00 43.34 H new ATOM 0 HE2 LYS A 31 -22.060 -8.347 0.822 1.00 22.24 H new ATOM 0 HE3 LYS A 31 -23.257 -9.522 0.315 1.00 22.24 H new ATOM 0 HZ1 LYS A 31 -20.885 -10.319 0.582 1.00 0.11 H new ATOM 0 HZ2 LYS A 31 -21.667 -10.751 -0.862 1.00 0.11 H new ATOM 0 HZ3 LYS A 31 -20.529 -9.491 -0.857 1.00 0.11 H new ATOM 441 N LEU A 32 -20.605 -6.665 -5.286 1.00 42.02 N ATOM 442 CA LEU A 32 -19.939 -7.666 -6.104 1.00 11.54 C ATOM 443 C LEU A 32 -18.801 -7.034 -6.852 1.00 74.15 C ATOM 444 O LEU A 32 -17.695 -7.590 -6.902 1.00 34.30 O ATOM 445 CB LEU A 32 -20.924 -8.333 -7.069 1.00 54.20 C ATOM 446 CG LEU A 32 -22.119 -9.049 -6.423 1.00 23.35 C ATOM 447 CD1 LEU A 32 -23.035 -9.624 -7.488 1.00 41.22 C ATOM 448 CD2 LEU A 32 -21.647 -10.150 -5.476 1.00 31.34 C ATOM 0 H LEU A 32 -21.486 -6.328 -5.673 1.00 42.02 H new ATOM 0 HA LEU A 32 -19.543 -8.444 -5.451 1.00 11.54 H new ATOM 0 HB2 LEU A 32 -21.306 -7.572 -7.750 1.00 54.20 H new ATOM 0 HB3 LEU A 32 -20.376 -9.056 -7.674 1.00 54.20 H new ATOM 0 HG LEU A 32 -22.679 -8.316 -5.842 1.00 23.35 H new ATOM 0 HD11 LEU A 32 -23.876 -10.128 -7.011 1.00 41.22 H new ATOM 0 HD12 LEU A 32 -23.406 -8.819 -8.122 1.00 41.22 H new ATOM 0 HD13 LEU A 32 -22.481 -10.339 -8.097 1.00 41.22 H new ATOM 0 HD21 LEU A 32 -22.512 -10.642 -5.031 1.00 31.34 H new ATOM 0 HD22 LEU A 32 -21.059 -10.881 -6.032 1.00 31.34 H new ATOM 0 HD23 LEU A 32 -21.033 -9.714 -4.688 1.00 31.34 H new ATOM 460 N GLU A 33 -19.058 -5.867 -7.398 1.00 34.13 N ATOM 461 CA GLU A 33 -18.031 -5.087 -8.064 1.00 61.24 C ATOM 462 C GLU A 33 -16.902 -4.764 -7.060 1.00 3.11 C ATOM 463 O GLU A 33 -15.707 -4.901 -7.367 1.00 34.44 O ATOM 464 CB GLU A 33 -18.636 -3.801 -8.633 1.00 52.32 C ATOM 465 CG GLU A 33 -19.650 -4.003 -9.750 1.00 32.31 C ATOM 466 CD GLU A 33 -19.012 -4.431 -11.054 1.00 74.14 C ATOM 467 OE1 GLU A 33 -18.720 -5.635 -11.217 1.00 30.35 O ATOM 468 OE2 GLU A 33 -18.822 -3.551 -11.934 1.00 2.31 O ATOM 0 H GLU A 33 -19.980 -5.430 -7.395 1.00 34.13 H new ATOM 0 HA GLU A 33 -17.614 -5.661 -8.891 1.00 61.24 H new ATOM 0 HB2 GLU A 33 -19.117 -3.254 -7.822 1.00 52.32 H new ATOM 0 HB3 GLU A 33 -17.828 -3.172 -9.006 1.00 52.32 H new ATOM 0 HG2 GLU A 33 -20.377 -4.755 -9.443 1.00 32.31 H new ATOM 0 HG3 GLU A 33 -20.199 -3.075 -9.907 1.00 32.31 H new ATOM 475 N PHE A 34 -17.279 -4.415 -5.817 1.00 64.43 N ATOM 476 CA PHE A 34 -16.284 -4.090 -4.799 1.00 44.32 C ATOM 477 C PHE A 34 -15.459 -5.312 -4.476 1.00 1.12 C ATOM 478 O PHE A 34 -14.255 -5.201 -4.169 1.00 20.22 O ATOM 479 CB PHE A 34 -16.904 -3.473 -3.532 1.00 54.41 C ATOM 480 CG PHE A 34 -15.908 -2.807 -2.619 1.00 11.02 C ATOM 481 CD1 PHE A 34 -14.919 -1.992 -3.148 1.00 43.42 C ATOM 482 CD2 PHE A 34 -15.967 -2.979 -1.248 1.00 21.42 C ATOM 483 CE1 PHE A 34 -14.012 -1.356 -2.353 1.00 11.41 C ATOM 484 CE2 PHE A 34 -15.060 -2.345 -0.420 1.00 50.44 C ATOM 485 CZ PHE A 34 -14.081 -1.528 -0.965 1.00 41.21 C ATOM 0 H PHE A 34 -18.248 -4.353 -5.504 1.00 64.43 H new ATOM 0 HA PHE A 34 -15.630 -3.322 -5.212 1.00 44.32 H new ATOM 0 HB2 PHE A 34 -17.655 -2.741 -3.828 1.00 54.41 H new ATOM 0 HB3 PHE A 34 -17.423 -4.255 -2.977 1.00 54.41 H new ATOM 0 HD1 PHE A 34 -14.866 -1.857 -4.218 1.00 43.42 H new ATOM 0 HD2 PHE A 34 -16.729 -3.614 -0.821 1.00 21.42 H new ATOM 0 HE1 PHE A 34 -13.250 -0.727 -2.789 1.00 11.41 H new ATOM 0 HE2 PHE A 34 -15.114 -2.486 0.649 1.00 50.44 H new ATOM 0 HZ PHE A 34 -13.374 -1.026 -0.321 1.00 41.21 H new ATOM 495 N ARG A 35 -16.084 -6.497 -4.563 1.00 22.51 N ATOM 496 CA ARG A 35 -15.303 -7.702 -4.440 1.00 54.15 C ATOM 497 C ARG A 35 -14.261 -7.762 -5.552 1.00 22.24 C ATOM 498 O ARG A 35 -13.121 -8.049 -5.281 1.00 72.44 O ATOM 499 CB ARG A 35 -16.107 -9.020 -4.427 1.00 15.53 C ATOM 500 CG ARG A 35 -15.142 -10.209 -4.392 1.00 13.42 C ATOM 501 CD ARG A 35 -15.764 -11.578 -4.479 1.00 20.51 C ATOM 502 NE ARG A 35 -14.687 -12.575 -4.664 1.00 71.42 N ATOM 503 CZ ARG A 35 -14.735 -13.868 -4.331 1.00 22.11 C ATOM 504 NH1 ARG A 35 -15.785 -14.360 -3.658 1.00 45.30 N ATOM 505 NH2 ARG A 35 -13.699 -14.669 -4.644 1.00 72.33 N ATOM 0 H ARG A 35 -17.084 -6.629 -4.712 1.00 22.51 H new ATOM 0 HA ARG A 35 -14.840 -7.633 -3.456 1.00 54.15 H new ATOM 0 HB2 ARG A 35 -16.766 -9.048 -3.559 1.00 15.53 H new ATOM 0 HB3 ARG A 35 -16.742 -9.080 -5.311 1.00 15.53 H new ATOM 0 HG2 ARG A 35 -14.437 -10.101 -5.216 1.00 13.42 H new ATOM 0 HG3 ARG A 35 -14.565 -10.154 -3.469 1.00 13.42 H new ATOM 0 HD2 ARG A 35 -16.329 -11.795 -3.572 1.00 20.51 H new ATOM 0 HD3 ARG A 35 -16.467 -11.622 -5.311 1.00 20.51 H new ATOM 0 HE ARG A 35 -13.821 -12.242 -5.088 1.00 71.42 H new ATOM 0 HH11 ARG A 35 -16.556 -13.746 -3.396 1.00 45.30 H new ATOM 0 HH12 ARG A 35 -15.813 -15.349 -3.408 1.00 45.30 H new ATOM 0 HH21 ARG A 35 -12.888 -14.287 -5.131 1.00 72.33 H new ATOM 0 HH22 ARG A 35 -13.725 -15.658 -4.394 1.00 72.33 H new ATOM 519 N SER A 36 -14.646 -7.384 -6.776 1.00 13.22 N ATOM 520 CA SER A 36 -13.755 -7.469 -7.929 1.00 54.02 C ATOM 521 C SER A 36 -12.522 -6.605 -7.668 1.00 12.24 C ATOM 522 O SER A 36 -11.373 -7.025 -7.914 1.00 70.15 O ATOM 523 CB SER A 36 -14.502 -7.025 -9.211 1.00 73.44 C ATOM 524 OG SER A 36 -13.697 -7.133 -10.368 1.00 73.21 O ATOM 0 H SER A 36 -15.573 -7.016 -6.990 1.00 13.22 H new ATOM 0 HA SER A 36 -13.432 -8.499 -8.079 1.00 54.02 H new ATOM 0 HB2 SER A 36 -15.397 -7.634 -9.336 1.00 73.44 H new ATOM 0 HB3 SER A 36 -14.833 -5.993 -9.097 1.00 73.44 H new ATOM 0 HG SER A 36 -14.210 -6.844 -11.151 1.00 73.21 H new ATOM 530 N CYS A 37 -12.770 -5.436 -7.084 1.00 12.33 N ATOM 531 CA CYS A 37 -11.719 -4.520 -6.706 1.00 70.14 C ATOM 532 C CYS A 37 -10.764 -5.185 -5.699 1.00 73.13 C ATOM 533 O CYS A 37 -9.576 -5.354 -5.977 1.00 70.21 O ATOM 534 CB CYS A 37 -12.326 -3.219 -6.135 1.00 63.41 C ATOM 535 SG CYS A 37 -11.129 -1.903 -5.784 1.00 15.13 S ATOM 0 H CYS A 37 -13.709 -5.105 -6.863 1.00 12.33 H new ATOM 0 HA CYS A 37 -11.139 -4.260 -7.591 1.00 70.14 H new ATOM 0 HB2 CYS A 37 -13.063 -2.839 -6.842 1.00 63.41 H new ATOM 0 HB3 CYS A 37 -12.860 -3.458 -5.215 1.00 63.41 H new ATOM 0 HG CYS A 37 -10.893 -1.230 -6.871 1.00 15.13 H new ATOM 541 N LEU A 38 -11.303 -5.637 -4.577 1.00 2.23 N ATOM 542 CA LEU A 38 -10.485 -6.238 -3.512 1.00 54.41 C ATOM 543 C LEU A 38 -9.874 -7.594 -3.905 1.00 31.41 C ATOM 544 O LEU A 38 -8.826 -7.981 -3.384 1.00 21.42 O ATOM 545 CB LEU A 38 -11.262 -6.352 -2.195 1.00 4.41 C ATOM 546 CG LEU A 38 -11.381 -5.109 -1.294 1.00 3.12 C ATOM 547 CD1 LEU A 38 -11.875 -3.914 -2.048 1.00 42.44 C ATOM 548 CD2 LEU A 38 -12.318 -5.403 -0.128 1.00 23.05 C ATOM 0 H LEU A 38 -12.302 -5.603 -4.372 1.00 2.23 H new ATOM 0 HA LEU A 38 -9.651 -5.552 -3.361 1.00 54.41 H new ATOM 0 HB2 LEU A 38 -12.272 -6.683 -2.435 1.00 4.41 H new ATOM 0 HB3 LEU A 38 -10.799 -7.144 -1.606 1.00 4.41 H new ATOM 0 HG LEU A 38 -10.383 -4.877 -0.921 1.00 3.12 H new ATOM 0 HD11 LEU A 38 -11.944 -3.061 -1.373 1.00 42.44 H new ATOM 0 HD12 LEU A 38 -11.182 -3.682 -2.857 1.00 42.44 H new ATOM 0 HD13 LEU A 38 -12.860 -4.128 -2.464 1.00 42.44 H new ATOM 0 HD21 LEU A 38 -12.398 -4.520 0.506 1.00 23.05 H new ATOM 0 HD22 LEU A 38 -13.304 -5.666 -0.511 1.00 23.05 H new ATOM 0 HD23 LEU A 38 -11.923 -6.234 0.456 1.00 23.05 H new ATOM 560 N SER A 39 -10.517 -8.320 -4.786 1.00 61.05 N ATOM 561 CA SER A 39 -9.978 -9.574 -5.258 1.00 21.23 C ATOM 562 C SER A 39 -8.759 -9.337 -6.139 1.00 5.04 C ATOM 563 O SER A 39 -7.682 -9.865 -5.867 1.00 61.30 O ATOM 564 CB SER A 39 -11.043 -10.405 -5.989 1.00 11.44 C ATOM 565 OG SER A 39 -12.109 -10.741 -5.112 1.00 12.34 O ATOM 0 H SER A 39 -11.417 -8.064 -5.192 1.00 61.05 H new ATOM 0 HA SER A 39 -9.660 -10.151 -4.389 1.00 21.23 H new ATOM 0 HB2 SER A 39 -11.429 -9.843 -6.839 1.00 11.44 H new ATOM 0 HB3 SER A 39 -10.592 -11.314 -6.386 1.00 11.44 H new ATOM 0 HG SER A 39 -11.774 -11.322 -4.397 1.00 12.34 H new ATOM 571 N SER A 40 -8.894 -8.470 -7.131 1.00 75.54 N ATOM 572 CA SER A 40 -7.802 -8.218 -8.041 1.00 23.22 C ATOM 573 C SER A 40 -6.737 -7.322 -7.389 1.00 5.02 C ATOM 574 O SER A 40 -5.627 -7.200 -7.899 1.00 1.12 O ATOM 575 CB SER A 40 -8.314 -7.629 -9.358 1.00 42.02 C ATOM 576 OG SER A 40 -7.267 -7.493 -10.310 1.00 73.54 O ATOM 0 H SER A 40 -9.743 -7.937 -7.320 1.00 75.54 H new ATOM 0 HA SER A 40 -7.325 -9.170 -8.274 1.00 23.22 H new ATOM 0 HB2 SER A 40 -9.096 -8.270 -9.765 1.00 42.02 H new ATOM 0 HB3 SER A 40 -8.766 -6.655 -9.171 1.00 42.02 H new ATOM 0 HG SER A 40 -7.405 -6.676 -10.834 1.00 73.54 H new ATOM 582 N MET A 41 -7.091 -6.687 -6.273 1.00 4.31 N ATOM 583 CA MET A 41 -6.137 -5.896 -5.494 1.00 54.43 C ATOM 584 C MET A 41 -5.212 -6.830 -4.701 1.00 4.40 C ATOM 585 O MET A 41 -4.154 -6.425 -4.236 1.00 25.22 O ATOM 586 CB MET A 41 -6.889 -4.954 -4.538 1.00 33.30 C ATOM 587 CG MET A 41 -6.010 -3.973 -3.766 1.00 34.14 C ATOM 588 SD MET A 41 -6.961 -2.910 -2.648 1.00 61.05 S ATOM 589 CE MET A 41 -8.050 -2.068 -3.799 1.00 15.25 C ATOM 0 H MET A 41 -8.035 -6.705 -5.886 1.00 4.31 H new ATOM 0 HA MET A 41 -5.533 -5.294 -6.174 1.00 54.43 H new ATOM 0 HB2 MET A 41 -7.620 -4.386 -5.114 1.00 33.30 H new ATOM 0 HB3 MET A 41 -7.446 -5.558 -3.822 1.00 33.30 H new ATOM 0 HG2 MET A 41 -5.271 -4.530 -3.190 1.00 34.14 H new ATOM 0 HG3 MET A 41 -5.461 -3.351 -4.472 1.00 34.14 H new ATOM 0 HE1 MET A 41 -8.175 -1.031 -3.489 1.00 15.25 H new ATOM 0 HE2 MET A 41 -7.616 -2.098 -4.799 1.00 15.25 H new ATOM 0 HE3 MET A 41 -9.021 -2.563 -3.810 1.00 15.25 H new ATOM 599 N GLY A 42 -5.623 -8.085 -4.568 1.00 63.23 N ATOM 600 CA GLY A 42 -4.830 -9.053 -3.844 1.00 34.23 C ATOM 601 C GLY A 42 -5.232 -9.148 -2.393 1.00 12.14 C ATOM 602 O GLY A 42 -4.452 -9.567 -1.551 1.00 61.40 O ATOM 0 H GLY A 42 -6.496 -8.448 -4.951 1.00 63.23 H new ATOM 0 HA2 GLY A 42 -4.936 -10.031 -4.313 1.00 34.23 H new ATOM 0 HA3 GLY A 42 -3.777 -8.780 -3.910 1.00 34.23 H new ATOM 606 N LEU A 43 -6.454 -8.761 -2.102 1.00 14.05 N ATOM 607 CA LEU A 43 -6.949 -8.791 -0.744 1.00 3.33 C ATOM 608 C LEU A 43 -7.863 -9.968 -0.486 1.00 51.40 C ATOM 609 O LEU A 43 -7.601 -10.785 0.387 1.00 34.23 O ATOM 610 CB LEU A 43 -7.694 -7.494 -0.388 1.00 41.24 C ATOM 611 CG LEU A 43 -6.845 -6.222 -0.211 1.00 13.32 C ATOM 612 CD1 LEU A 43 -7.736 -5.022 0.069 1.00 73.30 C ATOM 613 CD2 LEU A 43 -5.833 -6.393 0.916 1.00 5.25 C ATOM 0 H LEU A 43 -7.125 -8.421 -2.790 1.00 14.05 H new ATOM 0 HA LEU A 43 -6.068 -8.893 -0.110 1.00 3.33 H new ATOM 0 HB2 LEU A 43 -8.431 -7.303 -1.168 1.00 41.24 H new ATOM 0 HB3 LEU A 43 -8.245 -7.664 0.537 1.00 41.24 H new ATOM 0 HG LEU A 43 -6.301 -6.051 -1.140 1.00 13.32 H new ATOM 0 HD11 LEU A 43 -7.119 -4.132 0.191 1.00 73.30 H new ATOM 0 HD12 LEU A 43 -8.423 -4.876 -0.765 1.00 73.30 H new ATOM 0 HD13 LEU A 43 -8.306 -5.197 0.982 1.00 73.30 H new ATOM 0 HD21 LEU A 43 -5.246 -5.480 1.020 1.00 5.25 H new ATOM 0 HD22 LEU A 43 -6.359 -6.595 1.849 1.00 5.25 H new ATOM 0 HD23 LEU A 43 -5.169 -7.227 0.686 1.00 5.25 H new ATOM 625 N ILE A 44 -8.936 -10.068 -1.240 1.00 50.12 N ATOM 626 CA ILE A 44 -9.950 -11.044 -0.891 1.00 51.34 C ATOM 627 C ILE A 44 -10.231 -12.063 -2.007 1.00 60.31 C ATOM 628 O ILE A 44 -10.679 -11.712 -3.088 1.00 44.24 O ATOM 629 CB ILE A 44 -11.291 -10.339 -0.460 1.00 33.23 C ATOM 630 CG1 ILE A 44 -11.975 -9.647 -1.661 1.00 14.22 C ATOM 631 CG2 ILE A 44 -11.040 -9.344 0.678 1.00 54.35 C ATOM 632 CD1 ILE A 44 -13.241 -8.902 -1.347 1.00 75.43 C ATOM 0 H ILE A 44 -9.128 -9.508 -2.071 1.00 50.12 H new ATOM 0 HA ILE A 44 -9.542 -11.601 -0.047 1.00 51.34 H new ATOM 0 HB ILE A 44 -11.970 -11.109 -0.095 1.00 33.23 H new ATOM 0 HG12 ILE A 44 -11.266 -8.950 -2.108 1.00 14.22 H new ATOM 0 HG13 ILE A 44 -12.197 -10.403 -2.415 1.00 14.22 H new ATOM 0 HG21 ILE A 44 -11.980 -8.869 0.960 1.00 54.35 H new ATOM 0 HG22 ILE A 44 -10.628 -9.872 1.538 1.00 54.35 H new ATOM 0 HG23 ILE A 44 -10.334 -8.583 0.347 1.00 54.35 H new ATOM 0 HD11 ILE A 44 -13.636 -8.456 -2.259 1.00 75.43 H new ATOM 0 HD12 ILE A 44 -13.976 -9.592 -0.932 1.00 75.43 H new ATOM 0 HD13 ILE A 44 -13.031 -8.117 -0.621 1.00 75.43 H new ATOM 644 N ASP A 45 -9.879 -13.295 -1.782 1.00 35.13 N ATOM 645 CA ASP A 45 -10.310 -14.361 -2.669 1.00 75.53 C ATOM 646 C ASP A 45 -10.384 -15.670 -1.907 1.00 25.23 C ATOM 647 O ASP A 45 -10.196 -15.665 -0.679 1.00 0.44 O ATOM 648 CB ASP A 45 -9.548 -14.470 -3.993 1.00 1.41 C ATOM 649 CG ASP A 45 -10.487 -15.035 -5.054 1.00 40.20 C ATOM 650 OD1 ASP A 45 -11.258 -14.243 -5.656 1.00 63.10 O ATOM 651 OD2 ASP A 45 -10.556 -16.262 -5.199 1.00 14.23 O ATOM 0 H ASP A 45 -9.298 -13.596 -0.999 1.00 35.13 H new ATOM 0 HA ASP A 45 -11.312 -14.092 -3.003 1.00 75.53 H new ATOM 0 HB2 ASP A 45 -9.179 -13.491 -4.298 1.00 1.41 H new ATOM 0 HB3 ASP A 45 -8.678 -15.116 -3.876 1.00 1.41 H new ATOM 656 N ILE A 46 -10.705 -16.761 -2.584 1.00 12.44 N ATOM 657 CA ILE A 46 -10.891 -18.065 -1.961 1.00 43.31 C ATOM 658 C ILE A 46 -9.537 -18.648 -1.510 1.00 43.25 C ATOM 659 O ILE A 46 -8.917 -19.443 -2.213 1.00 50.03 O ATOM 660 CB ILE A 46 -11.554 -19.085 -2.928 1.00 54.54 C ATOM 661 CG1 ILE A 46 -12.730 -18.465 -3.726 1.00 24.11 C ATOM 662 CG2 ILE A 46 -12.015 -20.335 -2.169 1.00 23.44 C ATOM 663 CD1 ILE A 46 -13.868 -17.923 -2.888 1.00 41.42 C ATOM 0 H ILE A 46 -10.846 -16.768 -3.594 1.00 12.44 H new ATOM 0 HA ILE A 46 -11.546 -17.907 -1.104 1.00 43.31 H new ATOM 0 HB ILE A 46 -10.793 -19.375 -3.653 1.00 54.54 H new ATOM 0 HG12 ILE A 46 -12.341 -17.657 -4.346 1.00 24.11 H new ATOM 0 HG13 ILE A 46 -13.127 -19.222 -4.402 1.00 24.11 H new ATOM 0 HG21 ILE A 46 -12.476 -21.035 -2.866 1.00 23.44 H new ATOM 0 HG22 ILE A 46 -11.156 -20.809 -1.693 1.00 23.44 H new ATOM 0 HG23 ILE A 46 -12.741 -20.051 -1.407 1.00 23.44 H new ATOM 0 HD11 ILE A 46 -14.638 -17.512 -3.542 1.00 41.42 H new ATOM 0 HD12 ILE A 46 -14.293 -18.727 -2.288 1.00 41.42 H new ATOM 0 HD13 ILE A 46 -13.494 -17.138 -2.230 1.00 41.42 H new ATOM 675 N ASP A 47 -9.064 -18.158 -0.411 1.00 32.34 N ATOM 676 CA ASP A 47 -7.840 -18.648 0.220 1.00 72.11 C ATOM 677 C ASP A 47 -8.223 -19.572 1.353 1.00 41.45 C ATOM 678 O ASP A 47 -8.006 -20.788 1.299 1.00 14.15 O ATOM 679 CB ASP A 47 -7.002 -17.469 0.751 1.00 32.31 C ATOM 680 CG ASP A 47 -5.762 -17.912 1.517 1.00 24.42 C ATOM 681 OD1 ASP A 47 -4.715 -18.131 0.882 1.00 12.12 O ATOM 682 OD2 ASP A 47 -5.839 -18.013 2.761 1.00 60.13 O ATOM 0 H ASP A 47 -9.510 -17.394 0.097 1.00 32.34 H new ATOM 0 HA ASP A 47 -7.237 -19.187 -0.511 1.00 72.11 H new ATOM 0 HB2 ASP A 47 -6.699 -16.841 -0.087 1.00 32.31 H new ATOM 0 HB3 ASP A 47 -7.623 -16.854 1.402 1.00 32.31 H new ATOM 687 N PHE A 48 -8.854 -18.992 2.354 1.00 32.42 N ATOM 688 CA PHE A 48 -9.331 -19.729 3.489 1.00 4.32 C ATOM 689 C PHE A 48 -10.572 -20.514 3.102 1.00 30.03 C ATOM 690 O PHE A 48 -11.676 -19.949 3.001 1.00 4.43 O ATOM 691 CB PHE A 48 -9.653 -18.786 4.660 1.00 23.11 C ATOM 692 CG PHE A 48 -8.494 -17.941 5.120 1.00 71.24 C ATOM 693 CD1 PHE A 48 -7.563 -18.445 6.011 1.00 4.23 C ATOM 694 CD2 PHE A 48 -8.339 -16.640 4.660 1.00 52.24 C ATOM 695 CE1 PHE A 48 -6.499 -17.670 6.436 1.00 15.02 C ATOM 696 CE2 PHE A 48 -7.280 -15.861 5.081 1.00 11.22 C ATOM 697 CZ PHE A 48 -6.359 -16.376 5.971 1.00 62.52 C ATOM 0 H PHE A 48 -9.047 -17.991 2.396 1.00 32.42 H new ATOM 0 HA PHE A 48 -8.548 -20.417 3.809 1.00 4.32 H new ATOM 0 HB2 PHE A 48 -10.471 -18.129 4.366 1.00 23.11 H new ATOM 0 HB3 PHE A 48 -10.009 -19.381 5.501 1.00 23.11 H new ATOM 0 HD1 PHE A 48 -7.668 -19.455 6.379 1.00 4.23 H new ATOM 0 HD2 PHE A 48 -9.057 -16.232 3.964 1.00 52.24 H new ATOM 0 HE1 PHE A 48 -5.778 -18.076 7.131 1.00 15.02 H new ATOM 0 HE2 PHE A 48 -7.172 -14.851 4.715 1.00 11.22 H new ATOM 0 HZ PHE A 48 -5.530 -15.769 6.303 1.00 62.52 H new ATOM 707 N THR A 49 -10.373 -21.786 2.834 1.00 61.44 N ATOM 708 CA THR A 49 -11.436 -22.692 2.487 1.00 14.40 C ATOM 709 C THR A 49 -12.389 -22.862 3.664 1.00 21.15 C ATOM 710 O THR A 49 -11.968 -23.270 4.764 1.00 33.12 O ATOM 711 CB THR A 49 -10.849 -24.048 2.074 1.00 50.21 C ATOM 712 OG1 THR A 49 -9.912 -24.476 3.081 1.00 54.20 O ATOM 713 CG2 THR A 49 -10.140 -23.943 0.728 1.00 10.23 C ATOM 0 H THR A 49 -9.451 -22.223 2.853 1.00 61.44 H new ATOM 0 HA THR A 49 -11.995 -22.279 1.647 1.00 14.40 H new ATOM 0 HB THR A 49 -11.658 -24.772 1.980 1.00 50.21 H new ATOM 0 HG1 THR A 49 -10.251 -24.233 3.968 1.00 54.20 H new ATOM 0 HG21 THR A 49 -9.732 -24.916 0.455 1.00 10.23 H new ATOM 0 HG22 THR A 49 -10.851 -23.621 -0.033 1.00 10.23 H new ATOM 0 HG23 THR A 49 -9.330 -23.217 0.799 1.00 10.23 H new ATOM 721 N GLY A 50 -13.629 -22.542 3.440 1.00 73.54 N ATOM 722 CA GLY A 50 -14.623 -22.564 4.475 1.00 64.54 C ATOM 723 C GLY A 50 -15.108 -21.165 4.724 1.00 65.14 C ATOM 724 O GLY A 50 -16.048 -20.932 5.487 1.00 41.42 O ATOM 0 H GLY A 50 -13.983 -22.256 2.527 1.00 73.54 H new ATOM 0 HA2 GLY A 50 -15.456 -23.204 4.182 1.00 64.54 H new ATOM 0 HA3 GLY A 50 -14.204 -22.984 5.389 1.00 64.54 H new ATOM 728 N GLY A 51 -14.439 -20.232 4.084 1.00 52.43 N ATOM 729 CA GLY A 51 -14.784 -18.853 4.188 1.00 10.20 C ATOM 730 C GLY A 51 -15.358 -18.357 2.898 1.00 43.55 C ATOM 731 O GLY A 51 -16.388 -17.678 2.882 1.00 73.21 O ATOM 0 H GLY A 51 -13.640 -20.420 3.478 1.00 52.43 H new ATOM 0 HA2 GLY A 51 -15.506 -18.713 4.992 1.00 10.20 H new ATOM 0 HA3 GLY A 51 -13.901 -18.270 4.448 1.00 10.20 H new ATOM 735 N GLU A 52 -14.685 -18.710 1.820 1.00 13.22 N ATOM 736 CA GLU A 52 -15.045 -18.362 0.456 1.00 62.01 C ATOM 737 C GLU A 52 -15.421 -16.889 0.246 1.00 4.05 C ATOM 738 O GLU A 52 -14.548 -16.022 0.205 1.00 21.24 O ATOM 739 CB GLU A 52 -16.083 -19.335 -0.151 1.00 74.31 C ATOM 740 CG GLU A 52 -15.533 -20.730 -0.493 1.00 12.31 C ATOM 741 CD GLU A 52 -14.944 -21.474 0.688 1.00 55.41 C ATOM 742 OE1 GLU A 52 -13.770 -21.229 1.023 1.00 3.14 O ATOM 743 OE2 GLU A 52 -15.636 -22.278 1.295 1.00 10.13 O ATOM 0 H GLU A 52 -13.835 -19.272 1.872 1.00 13.22 H new ATOM 0 HA GLU A 52 -14.122 -18.488 -0.110 1.00 62.01 H new ATOM 0 HB2 GLU A 52 -16.909 -19.447 0.551 1.00 74.31 H new ATOM 0 HB3 GLU A 52 -16.493 -18.889 -1.057 1.00 74.31 H new ATOM 0 HG2 GLU A 52 -16.336 -21.330 -0.921 1.00 12.31 H new ATOM 0 HG3 GLU A 52 -14.767 -20.627 -1.262 1.00 12.31 H new ATOM 750 N ASP A 53 -16.705 -16.603 0.155 1.00 51.40 N ATOM 751 CA ASP A 53 -17.151 -15.231 -0.081 1.00 10.53 C ATOM 752 C ASP A 53 -17.461 -14.572 1.245 1.00 75.25 C ATOM 753 O ASP A 53 -17.213 -13.390 1.439 1.00 21.33 O ATOM 754 CB ASP A 53 -18.378 -15.191 -1.001 1.00 33.31 C ATOM 755 CG ASP A 53 -18.659 -13.791 -1.537 1.00 2.44 C ATOM 756 OD1 ASP A 53 -17.979 -13.400 -2.526 1.00 73.24 O ATOM 757 OD2 ASP A 53 -19.544 -13.088 -1.002 1.00 33.34 O ATOM 0 H ASP A 53 -17.455 -17.289 0.239 1.00 51.40 H new ATOM 0 HA ASP A 53 -16.351 -14.686 -0.582 1.00 10.53 H new ATOM 0 HB2 ASP A 53 -18.224 -15.873 -1.837 1.00 33.31 H new ATOM 0 HB3 ASP A 53 -19.250 -15.549 -0.454 1.00 33.31 H new ATOM 762 N ALA A 54 -17.886 -15.399 2.207 1.00 63.41 N ATOM 763 CA ALA A 54 -18.255 -14.944 3.546 1.00 30.41 C ATOM 764 C ALA A 54 -17.031 -14.409 4.274 1.00 61.13 C ATOM 765 O ALA A 54 -17.139 -13.593 5.197 1.00 40.54 O ATOM 766 CB ALA A 54 -18.902 -16.076 4.337 1.00 52.44 C ATOM 0 H ALA A 54 -17.983 -16.406 2.075 1.00 63.41 H new ATOM 0 HA ALA A 54 -18.982 -14.137 3.453 1.00 30.41 H new ATOM 0 HB1 ALA A 54 -19.170 -15.718 5.331 1.00 52.44 H new ATOM 0 HB2 ALA A 54 -19.799 -16.415 3.819 1.00 52.44 H new ATOM 0 HB3 ALA A 54 -18.200 -16.905 4.427 1.00 52.44 H new ATOM 772 N GLN A 55 -15.857 -14.868 3.829 1.00 50.55 N ATOM 773 CA GLN A 55 -14.593 -14.380 4.336 1.00 14.44 C ATOM 774 C GLN A 55 -14.516 -12.878 4.120 1.00 2.31 C ATOM 775 O GLN A 55 -14.119 -12.130 5.020 1.00 11.34 O ATOM 776 CB GLN A 55 -13.413 -15.073 3.639 1.00 62.11 C ATOM 777 CG GLN A 55 -12.034 -14.599 4.103 1.00 75.25 C ATOM 778 CD GLN A 55 -11.804 -14.806 5.592 1.00 73.34 C ATOM 779 OE1 GLN A 55 -11.321 -15.836 6.014 1.00 1.14 O ATOM 780 NE2 GLN A 55 -12.160 -13.829 6.390 1.00 44.43 N ATOM 0 H GLN A 55 -15.768 -15.586 3.110 1.00 50.55 H new ATOM 0 HA GLN A 55 -14.531 -14.605 5.401 1.00 14.44 H new ATOM 0 HB2 GLN A 55 -13.489 -16.147 3.806 1.00 62.11 H new ATOM 0 HB3 GLN A 55 -13.496 -14.911 2.564 1.00 62.11 H new ATOM 0 HG2 GLN A 55 -11.265 -15.133 3.545 1.00 75.25 H new ATOM 0 HG3 GLN A 55 -11.921 -13.541 3.867 1.00 75.25 H new ATOM 0 HE21 GLN A 55 -12.563 -12.976 6.003 1.00 44.43 H new ATOM 0 HE22 GLN A 55 -12.034 -13.922 7.398 1.00 44.43 H new ATOM 789 N TYR A 56 -14.884 -12.432 2.930 1.00 40.13 N ATOM 790 CA TYR A 56 -14.899 -11.026 2.685 1.00 21.15 C ATOM 791 C TYR A 56 -16.134 -10.436 3.208 1.00 43.44 C ATOM 792 O TYR A 56 -16.141 -9.270 3.529 1.00 14.31 O ATOM 793 CB TYR A 56 -14.703 -10.627 1.215 1.00 53.13 C ATOM 794 CG TYR A 56 -15.950 -10.150 0.411 1.00 34.21 C ATOM 795 CD1 TYR A 56 -16.637 -8.918 0.697 1.00 21.13 C ATOM 796 CD2 TYR A 56 -16.401 -10.890 -0.657 1.00 0.11 C ATOM 797 CE1 TYR A 56 -17.691 -8.520 -0.071 1.00 13.33 C ATOM 798 CE2 TYR A 56 -17.457 -10.462 -1.424 1.00 50.23 C ATOM 799 CZ TYR A 56 -18.091 -9.285 -1.133 1.00 3.33 C ATOM 800 OH TYR A 56 -19.143 -8.864 -1.914 1.00 15.52 O ATOM 0 H TYR A 56 -15.168 -13.018 2.145 1.00 40.13 H new ATOM 0 HA TYR A 56 -14.032 -10.629 3.212 1.00 21.15 H new ATOM 0 HB2 TYR A 56 -13.960 -9.830 1.182 1.00 53.13 H new ATOM 0 HB3 TYR A 56 -14.276 -11.482 0.691 1.00 53.13 H new ATOM 0 HD1 TYR A 56 -16.315 -8.305 1.526 1.00 21.13 H new ATOM 0 HD2 TYR A 56 -15.916 -11.825 -0.897 1.00 0.11 H new ATOM 0 HE1 TYR A 56 -18.210 -7.601 0.159 1.00 13.33 H new ATOM 0 HE2 TYR A 56 -17.789 -11.058 -2.261 1.00 50.23 H new ATOM 0 HH TYR A 56 -18.857 -8.108 -2.469 1.00 15.52 H new ATOM 810 N ASP A 57 -17.204 -11.208 3.236 1.00 74.10 N ATOM 811 CA ASP A 57 -18.478 -10.669 3.637 1.00 35.32 C ATOM 812 C ASP A 57 -18.374 -10.070 4.999 1.00 35.53 C ATOM 813 O ASP A 57 -18.831 -9.006 5.191 1.00 25.12 O ATOM 814 CB ASP A 57 -19.627 -11.655 3.537 1.00 53.42 C ATOM 815 CG ASP A 57 -20.947 -10.916 3.420 1.00 32.21 C ATOM 816 OD1 ASP A 57 -21.264 -10.475 2.284 1.00 50.13 O ATOM 817 OD2 ASP A 57 -21.656 -10.749 4.424 1.00 32.53 O ATOM 0 H ASP A 57 -17.212 -12.197 2.988 1.00 74.10 H new ATOM 0 HA ASP A 57 -18.726 -9.885 2.921 1.00 35.32 H new ATOM 0 HB2 ASP A 57 -19.486 -12.301 2.670 1.00 53.42 H new ATOM 0 HB3 ASP A 57 -19.640 -12.299 4.416 1.00 53.42 H new ATOM 822 N ALA A 58 -17.620 -10.719 5.894 1.00 22.25 N ATOM 823 CA ALA A 58 -17.335 -10.165 7.238 1.00 44.12 C ATOM 824 C ALA A 58 -16.627 -8.776 7.149 1.00 53.45 C ATOM 825 O ALA A 58 -16.790 -7.918 8.009 1.00 12.54 O ATOM 826 CB ALA A 58 -16.482 -11.141 8.034 1.00 21.31 C ATOM 0 H ALA A 58 -17.193 -11.629 5.719 1.00 22.25 H new ATOM 0 HA ALA A 58 -18.287 -10.019 7.749 1.00 44.12 H new ATOM 0 HB1 ALA A 58 -16.278 -10.725 9.021 1.00 21.31 H new ATOM 0 HB2 ALA A 58 -17.015 -12.086 8.142 1.00 21.31 H new ATOM 0 HB3 ALA A 58 -15.541 -11.313 7.511 1.00 21.31 H new ATOM 832 N ILE A 59 -15.869 -8.580 6.084 1.00 5.41 N ATOM 833 CA ILE A 59 -15.167 -7.320 5.794 1.00 74.53 C ATOM 834 C ILE A 59 -16.186 -6.308 5.256 1.00 42.02 C ATOM 835 O ILE A 59 -16.199 -5.132 5.650 1.00 53.54 O ATOM 836 CB ILE A 59 -14.036 -7.560 4.738 1.00 41.45 C ATOM 837 CG1 ILE A 59 -12.992 -8.546 5.306 1.00 3.14 C ATOM 838 CG2 ILE A 59 -13.388 -6.242 4.272 1.00 41.33 C ATOM 839 CD1 ILE A 59 -11.927 -8.987 4.320 1.00 44.32 C ATOM 0 H ILE A 59 -15.715 -9.299 5.377 1.00 5.41 H new ATOM 0 HA ILE A 59 -14.706 -6.936 6.704 1.00 74.53 H new ATOM 0 HB ILE A 59 -14.485 -8.004 3.850 1.00 41.45 H new ATOM 0 HG12 ILE A 59 -12.503 -8.081 6.163 1.00 3.14 H new ATOM 0 HG13 ILE A 59 -13.512 -9.430 5.676 1.00 3.14 H new ATOM 0 HG21 ILE A 59 -12.610 -6.458 3.540 1.00 41.33 H new ATOM 0 HG22 ILE A 59 -14.146 -5.605 3.817 1.00 41.33 H new ATOM 0 HG23 ILE A 59 -12.949 -5.730 5.128 1.00 41.33 H new ATOM 0 HD11 ILE A 59 -11.241 -9.677 4.810 1.00 44.32 H new ATOM 0 HD12 ILE A 59 -12.399 -9.485 3.473 1.00 44.32 H new ATOM 0 HD13 ILE A 59 -11.375 -8.116 3.967 1.00 44.32 H new ATOM 851 N TYR A 60 -17.069 -6.787 4.380 1.00 32.42 N ATOM 852 CA TYR A 60 -18.158 -5.975 3.853 1.00 74.32 C ATOM 853 C TYR A 60 -19.077 -5.586 4.993 1.00 13.11 C ATOM 854 O TYR A 60 -19.601 -4.474 5.052 1.00 34.52 O ATOM 855 CB TYR A 60 -18.940 -6.727 2.760 1.00 21.31 C ATOM 856 CG TYR A 60 -20.184 -5.998 2.282 1.00 60.13 C ATOM 857 CD1 TYR A 60 -20.100 -4.909 1.416 1.00 22.04 C ATOM 858 CD2 TYR A 60 -21.443 -6.381 2.734 1.00 54.23 C ATOM 859 CE1 TYR A 60 -21.239 -4.230 1.016 1.00 74.34 C ATOM 860 CE2 TYR A 60 -22.577 -5.705 2.346 1.00 5.15 C ATOM 861 CZ TYR A 60 -22.473 -4.634 1.489 1.00 1.24 C ATOM 862 OH TYR A 60 -23.605 -3.950 1.127 1.00 22.32 O ATOM 0 H TYR A 60 -17.048 -7.741 4.020 1.00 32.42 H new ATOM 0 HA TYR A 60 -17.741 -5.079 3.394 1.00 74.32 H new ATOM 0 HB2 TYR A 60 -18.281 -6.898 1.909 1.00 21.31 H new ATOM 0 HB3 TYR A 60 -19.229 -7.706 3.142 1.00 21.31 H new ATOM 0 HD1 TYR A 60 -19.134 -4.591 1.052 1.00 22.04 H new ATOM 0 HD2 TYR A 60 -21.532 -7.225 3.402 1.00 54.23 H new ATOM 0 HE1 TYR A 60 -21.163 -3.391 0.340 1.00 74.34 H new ATOM 0 HE2 TYR A 60 -23.545 -6.014 2.713 1.00 5.15 H new ATOM 0 HH TYR A 60 -24.280 -4.583 0.804 1.00 22.32 H new ATOM 872 N ASN A 61 -19.212 -6.502 5.900 1.00 74.23 N ATOM 873 CA ASN A 61 -20.040 -6.304 7.135 1.00 71.42 C ATOM 874 C ASN A 61 -19.435 -5.209 8.011 1.00 53.41 C ATOM 875 O ASN A 61 -20.099 -4.645 8.861 1.00 20.41 O ATOM 876 CB ASN A 61 -20.194 -7.579 8.024 1.00 44.41 C ATOM 877 CG ASN A 61 -20.782 -8.828 7.361 1.00 13.14 C ATOM 878 OD1 ASN A 61 -20.495 -9.940 7.795 1.00 23.04 O ATOM 879 ND2 ASN A 61 -21.580 -8.674 6.326 1.00 42.34 N ATOM 0 H ASN A 61 -18.769 -7.419 5.842 1.00 74.23 H new ATOM 0 HA ASN A 61 -21.029 -6.035 6.763 1.00 71.42 H new ATOM 0 HB2 ASN A 61 -19.211 -7.837 8.418 1.00 44.41 H new ATOM 0 HB3 ASN A 61 -20.822 -7.322 8.877 1.00 44.41 H new ATOM 0 HD21 ASN A 61 -21.978 -9.491 5.863 1.00 42.34 H new ATOM 0 HD22 ASN A 61 -21.801 -7.738 5.987 1.00 42.34 H new ATOM 886 N ASN A 62 -18.156 -4.948 7.822 1.00 5.24 N ATOM 887 CA ASN A 62 -17.481 -3.893 8.553 1.00 21.23 C ATOM 888 C ASN A 62 -17.685 -2.566 7.839 1.00 24.10 C ATOM 889 O ASN A 62 -17.992 -1.555 8.474 1.00 31.43 O ATOM 890 CB ASN A 62 -15.980 -4.199 8.717 1.00 41.24 C ATOM 891 CG ASN A 62 -15.200 -3.129 9.500 1.00 64.21 C ATOM 892 OD1 ASN A 62 -14.027 -2.905 9.248 1.00 25.13 O ATOM 893 ND2 ASN A 62 -15.831 -2.487 10.463 1.00 12.45 N ATOM 0 H ASN A 62 -17.561 -5.454 7.166 1.00 5.24 H new ATOM 0 HA ASN A 62 -17.913 -3.831 9.552 1.00 21.23 H new ATOM 0 HB2 ASN A 62 -15.869 -5.157 9.225 1.00 41.24 H new ATOM 0 HB3 ASN A 62 -15.533 -4.308 7.729 1.00 41.24 H new ATOM 0 HD21 ASN A 62 -15.339 -1.786 11.016 1.00 12.45 H new ATOM 0 HD22 ASN A 62 -16.812 -2.692 10.655 1.00 12.45 H new ATOM 900 N VAL A 63 -17.513 -2.568 6.515 1.00 23.15 N ATOM 901 CA VAL A 63 -17.735 -1.353 5.723 1.00 63.35 C ATOM 902 C VAL A 63 -19.186 -0.842 5.791 1.00 34.33 C ATOM 903 O VAL A 63 -19.422 0.342 6.097 1.00 40.31 O ATOM 904 CB VAL A 63 -17.157 -1.416 4.240 1.00 42.13 C ATOM 905 CG1 VAL A 63 -17.203 -2.793 3.655 1.00 33.24 C ATOM 906 CG2 VAL A 63 -17.895 -0.479 3.302 1.00 2.21 C ATOM 0 H VAL A 63 -17.225 -3.383 5.974 1.00 23.15 H new ATOM 0 HA VAL A 63 -17.128 -0.593 6.215 1.00 63.35 H new ATOM 0 HB VAL A 63 -16.116 -1.105 4.332 1.00 42.13 H new ATOM 0 HG11 VAL A 63 -16.796 -2.773 2.644 1.00 33.24 H new ATOM 0 HG12 VAL A 63 -16.611 -3.470 4.271 1.00 33.24 H new ATOM 0 HG13 VAL A 63 -18.236 -3.141 3.624 1.00 33.24 H new ATOM 0 HG21 VAL A 63 -17.468 -0.554 2.302 1.00 2.21 H new ATOM 0 HG22 VAL A 63 -18.949 -0.754 3.268 1.00 2.21 H new ATOM 0 HG23 VAL A 63 -17.799 0.546 3.661 1.00 2.21 H new ATOM 916 N THR A 64 -20.137 -1.688 5.515 1.00 40.53 N ATOM 917 CA THR A 64 -21.510 -1.287 5.626 1.00 42.11 C ATOM 918 C THR A 64 -22.069 -1.578 6.992 1.00 15.33 C ATOM 919 O THR A 64 -21.881 -2.658 7.522 1.00 5.32 O ATOM 920 CB THR A 64 -22.381 -1.869 4.525 1.00 34.22 C ATOM 921 OG1 THR A 64 -22.034 -3.239 4.305 1.00 33.44 O ATOM 922 CG2 THR A 64 -22.200 -1.071 3.261 1.00 63.11 C ATOM 0 H THR A 64 -19.989 -2.651 5.214 1.00 40.53 H new ATOM 0 HA THR A 64 -21.526 -0.205 5.492 1.00 42.11 H new ATOM 0 HB THR A 64 -23.428 -1.819 4.826 1.00 34.22 H new ATOM 0 HG1 THR A 64 -22.302 -3.503 3.400 1.00 33.44 H new ATOM 0 HG21 THR A 64 -22.826 -1.490 2.473 1.00 63.11 H new ATOM 0 HG22 THR A 64 -22.488 -0.035 3.440 1.00 63.11 H new ATOM 0 HG23 THR A 64 -21.155 -1.109 2.953 1.00 63.11 H new ATOM 930 N LYS A 65 -22.746 -0.611 7.537 1.00 34.44 N ATOM 931 CA LYS A 65 -23.322 -0.700 8.855 1.00 54.50 C ATOM 932 C LYS A 65 -24.695 -1.360 8.743 1.00 50.25 C ATOM 933 O LYS A 65 -24.963 -2.385 9.359 1.00 64.03 O ATOM 934 CB LYS A 65 -23.422 0.722 9.412 1.00 32.03 C ATOM 935 CG LYS A 65 -22.063 1.424 9.517 1.00 54.02 C ATOM 936 CD LYS A 65 -22.200 2.941 9.641 1.00 73.10 C ATOM 937 CE LYS A 65 -22.575 3.608 8.300 1.00 22.31 C ATOM 938 NZ LYS A 65 -21.511 3.474 7.283 1.00 23.32 N ATOM 0 H LYS A 65 -22.919 0.281 7.073 1.00 34.44 H new ATOM 0 HA LYS A 65 -22.713 -1.303 9.528 1.00 54.50 H new ATOM 0 HB2 LYS A 65 -24.080 1.311 8.773 1.00 32.03 H new ATOM 0 HB3 LYS A 65 -23.884 0.688 10.399 1.00 32.03 H new ATOM 0 HG2 LYS A 65 -21.524 1.039 10.382 1.00 54.02 H new ATOM 0 HG3 LYS A 65 -21.465 1.186 8.637 1.00 54.02 H new ATOM 0 HD2 LYS A 65 -22.961 3.175 10.386 1.00 73.10 H new ATOM 0 HD3 LYS A 65 -21.261 3.360 10.002 1.00 73.10 H new ATOM 0 HE2 LYS A 65 -23.494 3.161 7.920 1.00 22.31 H new ATOM 0 HE3 LYS A 65 -22.780 4.665 8.469 1.00 22.31 H new ATOM 0 HZ1 LYS A 65 -21.717 4.102 6.480 1.00 23.32 H new ATOM 0 HZ2 LYS A 65 -20.596 3.736 7.702 1.00 23.32 H new ATOM 0 HZ3 LYS A 65 -21.471 2.489 6.951 1.00 23.32 H new ATOM 952 N GLY A 66 -25.549 -0.751 7.959 1.00 54.54 N ATOM 953 CA GLY A 66 -26.840 -1.313 7.638 1.00 30.42 C ATOM 954 C GLY A 66 -27.185 -0.971 6.211 1.00 4.53 C ATOM 955 O GLY A 66 -28.346 -1.001 5.796 1.00 54.35 O ATOM 0 H GLY A 66 -25.369 0.153 7.523 1.00 54.54 H new ATOM 0 HA2 GLY A 66 -26.823 -2.395 7.772 1.00 30.42 H new ATOM 0 HA3 GLY A 66 -27.600 -0.920 8.313 1.00 30.42 H new ATOM 959 N GLU A 67 -26.153 -0.651 5.465 1.00 72.53 N ATOM 960 CA GLU A 67 -26.281 -0.206 4.101 1.00 14.45 C ATOM 961 C GLU A 67 -26.058 -1.347 3.161 1.00 12.03 C ATOM 962 O GLU A 67 -25.659 -2.451 3.550 1.00 11.11 O ATOM 963 CB GLU A 67 -25.289 0.938 3.754 1.00 24.41 C ATOM 964 CG GLU A 67 -25.240 2.140 4.707 1.00 11.34 C ATOM 965 CD GLU A 67 -24.577 1.822 6.032 1.00 42.25 C ATOM 966 OE1 GLU A 67 -23.343 1.584 6.063 1.00 3.21 O ATOM 967 OE2 GLU A 67 -25.259 1.746 7.043 1.00 61.23 O ATOM 0 H GLU A 67 -25.189 -0.694 5.795 1.00 72.53 H new ATOM 0 HA GLU A 67 -27.294 0.182 3.991 1.00 14.45 H new ATOM 0 HB2 GLU A 67 -24.288 0.511 3.698 1.00 24.41 H new ATOM 0 HB3 GLU A 67 -25.534 1.307 2.758 1.00 24.41 H new ATOM 0 HG2 GLU A 67 -24.702 2.956 4.225 1.00 11.34 H new ATOM 0 HG3 GLU A 67 -26.255 2.492 4.891 1.00 11.34 H new ATOM 974 N ASN A 68 -26.296 -1.068 1.935 1.00 23.41 N ATOM 975 CA ASN A 68 -26.173 -2.008 0.897 1.00 12.12 C ATOM 976 C ASN A 68 -25.476 -1.340 -0.264 1.00 2.31 C ATOM 977 O ASN A 68 -26.049 -0.525 -0.970 1.00 30.33 O ATOM 978 CB ASN A 68 -27.557 -2.616 0.544 1.00 3.41 C ATOM 979 CG ASN A 68 -28.649 -1.611 0.148 1.00 32.14 C ATOM 980 OD1 ASN A 68 -28.847 -1.304 -1.012 1.00 62.23 O ATOM 981 ND2 ASN A 68 -29.377 -1.111 1.126 1.00 10.25 N ATOM 0 H ASN A 68 -26.592 -0.144 1.619 1.00 23.41 H new ATOM 0 HA ASN A 68 -25.562 -2.858 1.202 1.00 12.12 H new ATOM 0 HB2 ASN A 68 -27.424 -3.321 -0.277 1.00 3.41 H new ATOM 0 HB3 ASN A 68 -27.910 -3.188 1.402 1.00 3.41 H new ATOM 0 HD21 ASN A 68 -30.126 -0.451 0.918 1.00 10.25 H new ATOM 0 HD22 ASN A 68 -29.191 -1.384 2.091 1.00 10.25 H new ATOM 988 N GLY A 69 -24.195 -1.597 -0.369 1.00 74.54 N ATOM 989 CA GLY A 69 -23.410 -0.964 -1.363 1.00 44.31 C ATOM 990 C GLY A 69 -22.507 -0.032 -0.666 1.00 5.44 C ATOM 991 O GLY A 69 -22.876 0.527 0.365 1.00 5.12 O ATOM 0 H GLY A 69 -23.686 -2.245 0.231 1.00 74.54 H new ATOM 0 HA2 GLY A 69 -22.841 -1.699 -1.932 1.00 44.31 H new ATOM 0 HA3 GLY A 69 -24.042 -0.431 -2.073 1.00 44.31 H new ATOM 995 N VAL A 70 -21.343 0.144 -1.160 1.00 4.22 N ATOM 996 CA VAL A 70 -20.421 0.953 -0.463 1.00 23.10 C ATOM 997 C VAL A 70 -20.575 2.413 -0.878 1.00 0.15 C ATOM 998 O VAL A 70 -20.164 2.845 -1.955 1.00 35.24 O ATOM 999 CB VAL A 70 -18.961 0.427 -0.555 1.00 2.13 C ATOM 1000 CG1 VAL A 70 -18.869 -0.986 -0.016 1.00 74.13 C ATOM 1001 CG2 VAL A 70 -18.486 0.453 -1.943 1.00 4.51 C ATOM 0 H VAL A 70 -21.007 -0.256 -2.036 1.00 4.22 H new ATOM 0 HA VAL A 70 -20.659 0.895 0.599 1.00 23.10 H new ATOM 0 HB VAL A 70 -18.331 1.081 0.048 1.00 2.13 H new ATOM 0 HG11 VAL A 70 -17.840 -1.337 -0.089 1.00 74.13 H new ATOM 0 HG12 VAL A 70 -19.184 -0.999 1.027 1.00 74.13 H new ATOM 0 HG13 VAL A 70 -19.517 -1.641 -0.598 1.00 74.13 H new ATOM 0 HG21 VAL A 70 -17.462 0.081 -1.984 1.00 4.51 H new ATOM 0 HG22 VAL A 70 -19.127 -0.178 -2.559 1.00 4.51 H new ATOM 0 HG23 VAL A 70 -18.516 1.476 -2.319 1.00 4.51 H new ATOM 1011 N SER A 71 -21.264 3.116 -0.043 1.00 15.31 N ATOM 1012 CA SER A 71 -21.525 4.518 -0.167 1.00 40.53 C ATOM 1013 C SER A 71 -20.227 5.334 0.019 1.00 14.11 C ATOM 1014 O SER A 71 -19.157 4.767 0.228 1.00 50.22 O ATOM 1015 CB SER A 71 -22.556 4.836 0.899 1.00 61.34 C ATOM 1016 OG SER A 71 -22.842 6.222 1.041 1.00 12.33 O ATOM 0 H SER A 71 -21.685 2.709 0.792 1.00 15.31 H new ATOM 0 HA SER A 71 -21.898 4.781 -1.157 1.00 40.53 H new ATOM 0 HB2 SER A 71 -23.480 4.308 0.663 1.00 61.34 H new ATOM 0 HB3 SER A 71 -22.204 4.450 1.855 1.00 61.34 H new ATOM 0 HG SER A 71 -22.585 6.519 1.939 1.00 12.33 H new ATOM 1022 N PHE A 72 -20.337 6.653 -0.034 1.00 30.24 N ATOM 1023 CA PHE A 72 -19.187 7.538 0.106 1.00 50.11 C ATOM 1024 C PHE A 72 -18.568 7.365 1.484 1.00 70.01 C ATOM 1025 O PHE A 72 -17.348 7.278 1.628 1.00 3.14 O ATOM 1026 CB PHE A 72 -19.592 9.007 -0.099 1.00 62.44 C ATOM 1027 CG PHE A 72 -20.186 9.309 -1.450 1.00 55.41 C ATOM 1028 CD1 PHE A 72 -19.375 9.441 -2.566 1.00 0.44 C ATOM 1029 CD2 PHE A 72 -21.558 9.464 -1.600 1.00 64.43 C ATOM 1030 CE1 PHE A 72 -19.918 9.722 -3.807 1.00 3.34 C ATOM 1031 CE2 PHE A 72 -22.105 9.745 -2.839 1.00 34.23 C ATOM 1032 CZ PHE A 72 -21.284 9.873 -3.944 1.00 14.35 C ATOM 0 H PHE A 72 -21.222 7.140 -0.175 1.00 30.24 H new ATOM 0 HA PHE A 72 -18.458 7.273 -0.659 1.00 50.11 H new ATOM 0 HB2 PHE A 72 -20.313 9.283 0.671 1.00 62.44 H new ATOM 0 HB3 PHE A 72 -18.714 9.636 0.047 1.00 62.44 H new ATOM 0 HD1 PHE A 72 -18.306 9.323 -2.466 1.00 0.44 H new ATOM 0 HD2 PHE A 72 -22.204 9.364 -0.741 1.00 64.43 H new ATOM 0 HE1 PHE A 72 -19.274 9.823 -4.668 1.00 3.34 H new ATOM 0 HE2 PHE A 72 -23.173 9.864 -2.943 1.00 34.23 H new ATOM 0 HZ PHE A 72 -21.710 10.091 -4.912 1.00 14.35 H new ATOM 1042 N ASP A 73 -19.426 7.267 2.481 1.00 24.22 N ATOM 1043 CA ASP A 73 -18.996 7.076 3.852 1.00 42.04 C ATOM 1044 C ASP A 73 -18.439 5.670 4.009 1.00 70.00 C ATOM 1045 O ASP A 73 -17.360 5.493 4.531 1.00 14.51 O ATOM 1046 CB ASP A 73 -20.165 7.315 4.845 1.00 44.13 C ATOM 1047 CG ASP A 73 -21.302 6.323 4.675 1.00 40.43 C ATOM 1048 OD1 ASP A 73 -21.980 6.379 3.620 1.00 4.23 O ATOM 1049 OD2 ASP A 73 -21.466 5.436 5.552 1.00 30.55 O ATOM 0 H ASP A 73 -20.438 7.317 2.364 1.00 24.22 H new ATOM 0 HA ASP A 73 -18.218 7.804 4.083 1.00 42.04 H new ATOM 0 HB2 ASP A 73 -19.786 7.253 5.865 1.00 44.13 H new ATOM 0 HB3 ASP A 73 -20.549 8.326 4.709 1.00 44.13 H new ATOM 1054 N ASN A 74 -19.171 4.697 3.482 1.00 53.31 N ATOM 1055 CA ASN A 74 -18.821 3.272 3.535 1.00 50.03 C ATOM 1056 C ASN A 74 -17.476 2.998 2.940 1.00 50.22 C ATOM 1057 O ASN A 74 -16.615 2.406 3.581 1.00 13.21 O ATOM 1058 CB ASN A 74 -19.832 2.452 2.750 1.00 35.50 C ATOM 1059 CG ASN A 74 -21.169 2.299 3.400 1.00 14.42 C ATOM 1060 OD1 ASN A 74 -22.179 2.336 2.727 1.00 14.35 O ATOM 1061 ND2 ASN A 74 -21.189 2.000 4.654 1.00 73.52 N ATOM 0 H ASN A 74 -20.048 4.875 2.992 1.00 53.31 H new ATOM 0 HA ASN A 74 -18.816 2.997 4.590 1.00 50.03 H new ATOM 0 HB2 ASN A 74 -19.972 2.915 1.773 1.00 35.50 H new ATOM 0 HB3 ASN A 74 -19.415 1.460 2.576 1.00 35.50 H new ATOM 0 HD21 ASN A 74 -22.074 1.784 5.113 1.00 73.52 H new ATOM 0 HD22 ASN A 74 -20.320 1.979 5.187 1.00 73.52 H new ATOM 1068 N TYR A 75 -17.301 3.425 1.712 1.00 72.11 N ATOM 1069 CA TYR A 75 -16.110 3.154 0.970 1.00 32.53 C ATOM 1070 C TYR A 75 -14.922 3.738 1.695 1.00 23.11 C ATOM 1071 O TYR A 75 -13.980 3.035 2.000 1.00 21.10 O ATOM 1072 CB TYR A 75 -16.210 3.735 -0.446 1.00 24.45 C ATOM 1073 CG TYR A 75 -15.141 3.232 -1.385 1.00 1.51 C ATOM 1074 CD1 TYR A 75 -13.821 3.595 -1.227 1.00 43.25 C ATOM 1075 CD2 TYR A 75 -15.455 2.374 -2.415 1.00 24.35 C ATOM 1076 CE1 TYR A 75 -12.852 3.127 -2.063 1.00 71.23 C ATOM 1077 CE2 TYR A 75 -14.483 1.902 -3.259 1.00 34.44 C ATOM 1078 CZ TYR A 75 -13.186 2.278 -3.083 1.00 51.52 C ATOM 1079 OH TYR A 75 -12.217 1.803 -3.936 1.00 51.41 O ATOM 0 H TYR A 75 -17.993 3.975 1.202 1.00 72.11 H new ATOM 0 HA TYR A 75 -15.984 2.075 0.884 1.00 32.53 H new ATOM 0 HB2 TYR A 75 -17.189 3.493 -0.860 1.00 24.45 H new ATOM 0 HB3 TYR A 75 -16.149 4.822 -0.388 1.00 24.45 H new ATOM 0 HD1 TYR A 75 -13.549 4.264 -0.424 1.00 43.25 H new ATOM 0 HD2 TYR A 75 -16.481 2.069 -2.560 1.00 24.35 H new ATOM 0 HE1 TYR A 75 -11.824 3.425 -1.921 1.00 71.23 H new ATOM 0 HE2 TYR A 75 -14.746 1.232 -4.064 1.00 34.44 H new ATOM 0 HH TYR A 75 -12.475 0.915 -4.262 1.00 51.41 H new ATOM 1089 N VAL A 76 -15.009 5.000 2.025 1.00 34.33 N ATOM 1090 CA VAL A 76 -13.925 5.701 2.678 1.00 45.13 C ATOM 1091 C VAL A 76 -13.687 5.189 4.111 1.00 53.22 C ATOM 1092 O VAL A 76 -12.580 5.296 4.640 1.00 75.05 O ATOM 1093 CB VAL A 76 -14.155 7.231 2.617 1.00 4.20 C ATOM 1094 CG1 VAL A 76 -13.129 7.992 3.431 1.00 75.02 C ATOM 1095 CG2 VAL A 76 -14.098 7.682 1.160 1.00 31.13 C ATOM 0 H VAL A 76 -15.833 5.575 1.850 1.00 34.33 H new ATOM 0 HA VAL A 76 -13.005 5.489 2.134 1.00 45.13 H new ATOM 0 HB VAL A 76 -15.134 7.447 3.045 1.00 4.20 H new ATOM 0 HG11 VAL A 76 -13.328 9.061 3.360 1.00 75.02 H new ATOM 0 HG12 VAL A 76 -13.188 7.681 4.474 1.00 75.02 H new ATOM 0 HG13 VAL A 76 -12.131 7.783 3.046 1.00 75.02 H new ATOM 0 HG21 VAL A 76 -14.259 8.759 1.106 1.00 31.13 H new ATOM 0 HG22 VAL A 76 -13.121 7.440 0.742 1.00 31.13 H new ATOM 0 HG23 VAL A 76 -14.873 7.170 0.590 1.00 31.13 H new ATOM 1105 N GLN A 77 -14.720 4.606 4.700 1.00 51.21 N ATOM 1106 CA GLN A 77 -14.652 3.983 6.026 1.00 32.33 C ATOM 1107 C GLN A 77 -13.768 2.732 5.928 1.00 20.53 C ATOM 1108 O GLN A 77 -13.233 2.254 6.913 1.00 65.13 O ATOM 1109 CB GLN A 77 -16.067 3.565 6.455 1.00 22.14 C ATOM 1110 CG GLN A 77 -16.265 3.257 7.927 1.00 65.11 C ATOM 1111 CD GLN A 77 -17.599 2.571 8.173 1.00 4.14 C ATOM 1112 OE1 GLN A 77 -18.649 3.214 8.374 1.00 21.12 O ATOM 1113 NE2 GLN A 77 -17.568 1.273 8.186 1.00 0.24 N ATOM 0 H GLN A 77 -15.643 4.548 4.271 1.00 51.21 H new ATOM 0 HA GLN A 77 -14.239 4.682 6.753 1.00 32.33 H new ATOM 0 HB2 GLN A 77 -16.757 4.362 6.177 1.00 22.14 H new ATOM 0 HB3 GLN A 77 -16.351 2.683 5.881 1.00 22.14 H new ATOM 0 HG2 GLN A 77 -15.455 2.619 8.279 1.00 65.11 H new ATOM 0 HG3 GLN A 77 -16.217 4.181 8.504 1.00 65.11 H new ATOM 0 HE21 GLN A 77 -16.690 0.782 8.017 1.00 0.24 H new ATOM 0 HE22 GLN A 77 -18.422 0.744 8.365 1.00 0.24 H new ATOM 1122 N TYR A 78 -13.703 2.163 4.733 1.00 62.23 N ATOM 1123 CA TYR A 78 -12.844 1.042 4.487 1.00 52.21 C ATOM 1124 C TYR A 78 -11.470 1.507 3.973 1.00 53.31 C ATOM 1125 O TYR A 78 -10.414 1.123 4.484 1.00 64.42 O ATOM 1126 CB TYR A 78 -13.475 0.080 3.471 1.00 71.45 C ATOM 1127 CG TYR A 78 -12.603 -1.120 3.182 1.00 24.44 C ATOM 1128 CD1 TYR A 78 -12.476 -2.137 4.112 1.00 63.54 C ATOM 1129 CD2 TYR A 78 -11.874 -1.216 2.000 1.00 11.42 C ATOM 1130 CE1 TYR A 78 -11.660 -3.218 3.877 1.00 51.34 C ATOM 1131 CE2 TYR A 78 -11.049 -2.292 1.760 1.00 73.40 C ATOM 1132 CZ TYR A 78 -10.947 -3.292 2.701 1.00 31.42 C ATOM 1133 OH TYR A 78 -10.113 -4.362 2.475 1.00 44.25 O ATOM 0 H TYR A 78 -14.242 2.470 3.923 1.00 62.23 H new ATOM 0 HA TYR A 78 -12.709 0.517 5.433 1.00 52.21 H new ATOM 0 HB2 TYR A 78 -14.439 -0.260 3.849 1.00 71.45 H new ATOM 0 HB3 TYR A 78 -13.668 0.616 2.542 1.00 71.45 H new ATOM 0 HD1 TYR A 78 -13.028 -2.080 5.039 1.00 63.54 H new ATOM 0 HD2 TYR A 78 -11.957 -0.434 1.260 1.00 11.42 H new ATOM 0 HE1 TYR A 78 -11.578 -4.006 4.611 1.00 51.34 H new ATOM 0 HE2 TYR A 78 -10.486 -2.351 0.840 1.00 73.40 H new ATOM 0 HH TYR A 78 -10.463 -5.153 2.937 1.00 44.25 H new ATOM 1143 N MET A 79 -11.527 2.331 2.939 1.00 13.44 N ATOM 1144 CA MET A 79 -10.371 2.757 2.169 1.00 10.14 C ATOM 1145 C MET A 79 -9.385 3.582 2.952 1.00 2.32 C ATOM 1146 O MET A 79 -8.211 3.283 2.924 1.00 40.52 O ATOM 1147 CB MET A 79 -10.798 3.506 0.905 1.00 65.14 C ATOM 1148 CG MET A 79 -9.632 3.957 0.023 1.00 31.21 C ATOM 1149 SD MET A 79 -8.604 2.585 -0.561 1.00 15.13 S ATOM 1150 CE MET A 79 -9.767 1.650 -1.546 1.00 14.05 C ATOM 0 H MET A 79 -12.403 2.732 2.604 1.00 13.44 H new ATOM 0 HA MET A 79 -9.853 1.839 1.893 1.00 10.14 H new ATOM 0 HB2 MET A 79 -11.455 2.863 0.319 1.00 65.14 H new ATOM 0 HB3 MET A 79 -11.381 4.381 1.193 1.00 65.14 H new ATOM 0 HG2 MET A 79 -10.025 4.500 -0.837 1.00 31.21 H new ATOM 0 HG3 MET A 79 -9.010 4.655 0.584 1.00 31.21 H new ATOM 0 HE1 MET A 79 -9.268 0.777 -1.967 1.00 14.05 H new ATOM 0 HE2 MET A 79 -10.598 1.326 -0.919 1.00 14.05 H new ATOM 0 HE3 MET A 79 -10.145 2.276 -2.354 1.00 14.05 H new ATOM 1160 N LYS A 80 -9.857 4.588 3.669 1.00 33.53 N ATOM 1161 CA LYS A 80 -8.965 5.498 4.394 1.00 24.55 C ATOM 1162 C LYS A 80 -8.149 4.707 5.413 1.00 51.35 C ATOM 1163 O LYS A 80 -6.940 4.796 5.461 1.00 21.43 O ATOM 1164 CB LYS A 80 -9.799 6.557 5.095 1.00 33.31 C ATOM 1165 CG LYS A 80 -9.034 7.584 5.903 1.00 74.21 C ATOM 1166 CD LYS A 80 -9.704 7.910 7.259 1.00 65.01 C ATOM 1167 CE LYS A 80 -11.221 8.203 7.188 1.00 14.43 C ATOM 1168 NZ LYS A 80 -12.065 6.959 7.147 1.00 74.04 N ATOM 0 H LYS A 80 -10.850 4.801 3.769 1.00 33.53 H new ATOM 0 HA LYS A 80 -8.281 5.983 3.697 1.00 24.55 H new ATOM 0 HB2 LYS A 80 -10.388 7.082 4.343 1.00 33.31 H new ATOM 0 HB3 LYS A 80 -10.503 6.055 5.758 1.00 33.31 H new ATOM 0 HG2 LYS A 80 -8.023 7.217 6.083 1.00 74.21 H new ATOM 0 HG3 LYS A 80 -8.941 8.501 5.320 1.00 74.21 H new ATOM 0 HD2 LYS A 80 -9.543 7.072 7.937 1.00 65.01 H new ATOM 0 HD3 LYS A 80 -9.203 8.774 7.696 1.00 65.01 H new ATOM 0 HE2 LYS A 80 -11.509 8.801 8.052 1.00 14.43 H new ATOM 0 HE3 LYS A 80 -11.427 8.803 6.302 1.00 14.43 H new ATOM 0 HZ1 LYS A 80 -12.901 7.087 7.752 1.00 74.04 H new ATOM 0 HZ2 LYS A 80 -12.369 6.778 6.169 1.00 74.04 H new ATOM 0 HZ3 LYS A 80 -11.509 6.151 7.492 1.00 74.04 H new ATOM 1182 N GLU A 81 -8.839 3.894 6.161 1.00 74.25 N ATOM 1183 CA GLU A 81 -8.266 3.033 7.169 1.00 72.34 C ATOM 1184 C GLU A 81 -7.240 2.043 6.577 1.00 12.41 C ATOM 1185 O GLU A 81 -6.428 1.507 7.287 1.00 5.40 O ATOM 1186 CB GLU A 81 -9.389 2.277 7.910 1.00 3.54 C ATOM 1187 CG GLU A 81 -10.249 3.123 8.887 1.00 42.32 C ATOM 1188 CD GLU A 81 -10.896 4.371 8.283 1.00 71.45 C ATOM 1189 OE1 GLU A 81 -11.270 4.374 7.092 1.00 61.52 O ATOM 1190 OE2 GLU A 81 -11.044 5.389 8.989 1.00 44.31 O ATOM 0 H GLU A 81 -9.852 3.806 6.087 1.00 74.25 H new ATOM 0 HA GLU A 81 -7.725 3.662 7.876 1.00 72.34 H new ATOM 0 HB2 GLU A 81 -10.051 1.831 7.168 1.00 3.54 H new ATOM 0 HB3 GLU A 81 -8.940 1.457 8.470 1.00 3.54 H new ATOM 0 HG2 GLU A 81 -11.036 2.488 9.294 1.00 42.32 H new ATOM 0 HG3 GLU A 81 -9.621 3.429 9.724 1.00 42.32 H new ATOM 1197 N LYS A 82 -7.343 1.742 5.299 1.00 73.42 N ATOM 1198 CA LYS A 82 -6.362 0.886 4.623 1.00 22.33 C ATOM 1199 C LYS A 82 -5.222 1.699 3.986 1.00 14.30 C ATOM 1200 O LYS A 82 -4.069 1.320 4.059 1.00 52.24 O ATOM 1201 CB LYS A 82 -7.044 -0.006 3.588 1.00 24.32 C ATOM 1202 CG LYS A 82 -7.971 -1.096 4.160 1.00 13.54 C ATOM 1203 CD LYS A 82 -7.210 -2.276 4.810 1.00 41.04 C ATOM 1204 CE LYS A 82 -7.218 -2.281 6.356 1.00 11.22 C ATOM 1205 NZ LYS A 82 -6.405 -1.215 6.971 1.00 2.25 N ATOM 0 H LYS A 82 -8.096 2.074 4.696 1.00 73.42 H new ATOM 0 HA LYS A 82 -5.911 0.249 5.384 1.00 22.33 H new ATOM 0 HB2 LYS A 82 -7.626 0.626 2.917 1.00 24.32 H new ATOM 0 HB3 LYS A 82 -6.274 -0.488 2.985 1.00 24.32 H new ATOM 0 HG2 LYS A 82 -8.631 -0.647 4.902 1.00 13.54 H new ATOM 0 HG3 LYS A 82 -8.604 -1.479 3.360 1.00 13.54 H new ATOM 0 HD2 LYS A 82 -7.646 -3.210 4.456 1.00 41.04 H new ATOM 0 HD3 LYS A 82 -6.176 -2.256 4.466 1.00 41.04 H new ATOM 0 HE2 LYS A 82 -8.247 -2.183 6.703 1.00 11.22 H new ATOM 0 HE3 LYS A 82 -6.854 -3.247 6.706 1.00 11.22 H new ATOM 0 HZ1 LYS A 82 -6.210 -1.456 7.964 1.00 2.25 H new ATOM 0 HZ2 LYS A 82 -5.507 -1.122 6.455 1.00 2.25 H new ATOM 0 HZ3 LYS A 82 -6.924 -0.315 6.929 1.00 2.25 H new ATOM 1219 N ASN A 83 -5.577 2.808 3.383 1.00 72.40 N ATOM 1220 CA ASN A 83 -4.642 3.682 2.660 1.00 61.23 C ATOM 1221 C ASN A 83 -3.752 4.462 3.607 1.00 12.15 C ATOM 1222 O ASN A 83 -2.528 4.395 3.537 1.00 74.21 O ATOM 1223 CB ASN A 83 -5.442 4.657 1.762 1.00 65.21 C ATOM 1224 CG ASN A 83 -4.598 5.767 1.135 1.00 11.51 C ATOM 1225 OD1 ASN A 83 -4.036 5.605 0.058 1.00 15.31 O ATOM 1226 ND2 ASN A 83 -4.558 6.921 1.778 1.00 63.53 N ATOM 0 H ASN A 83 -6.539 3.148 3.372 1.00 72.40 H new ATOM 0 HA ASN A 83 -3.996 3.054 2.047 1.00 61.23 H new ATOM 0 HB2 ASN A 83 -5.923 4.088 0.966 1.00 65.21 H new ATOM 0 HB3 ASN A 83 -6.236 5.111 2.355 1.00 65.21 H new ATOM 0 HD21 ASN A 83 -4.049 7.710 1.379 1.00 63.53 H new ATOM 0 HD22 ASN A 83 -5.037 7.023 2.673 1.00 63.53 H new ATOM 1345 N LEU A 92 12.218 1.533 4.803 1.00 40.22 N ATOM 1346 CA LEU A 92 13.426 1.584 3.978 1.00 42.43 C ATOM 1347 C LEU A 92 14.379 0.419 4.335 1.00 64.03 C ATOM 1348 O LEU A 92 14.996 -0.173 3.461 1.00 52.14 O ATOM 1349 CB LEU A 92 14.136 2.985 4.035 1.00 44.33 C ATOM 1350 CG LEU A 92 14.668 3.542 5.394 1.00 41.11 C ATOM 1351 CD1 LEU A 92 15.931 2.837 5.879 1.00 74.43 C ATOM 1352 CD2 LEU A 92 14.918 5.039 5.287 1.00 41.30 C ATOM 0 HA LEU A 92 13.123 1.455 2.939 1.00 42.43 H new ATOM 0 HB2 LEU A 92 14.982 2.947 3.348 1.00 44.33 H new ATOM 0 HB3 LEU A 92 13.435 3.719 3.637 1.00 44.33 H new ATOM 0 HG LEU A 92 13.893 3.345 6.135 1.00 41.11 H new ATOM 0 HD11 LEU A 92 16.249 3.271 6.827 1.00 74.43 H new ATOM 0 HD12 LEU A 92 15.725 1.775 6.016 1.00 74.43 H new ATOM 0 HD13 LEU A 92 16.723 2.960 5.140 1.00 74.43 H new ATOM 0 HD21 LEU A 92 15.288 5.415 6.241 1.00 41.30 H new ATOM 0 HD22 LEU A 92 15.658 5.230 4.510 1.00 41.30 H new ATOM 0 HD23 LEU A 92 13.987 5.546 5.034 1.00 41.30 H new ATOM 1364 N ASN A 93 14.399 0.035 5.623 1.00 2.34 N ATOM 1365 CA ASN A 93 15.245 -1.076 6.086 1.00 12.33 C ATOM 1366 C ASN A 93 14.723 -2.397 5.513 1.00 41.13 C ATOM 1367 O ASN A 93 15.489 -3.288 5.154 1.00 64.14 O ATOM 1368 CB ASN A 93 15.255 -1.136 7.627 1.00 63.42 C ATOM 1369 CG ASN A 93 16.147 -2.248 8.181 1.00 32.12 C ATOM 1370 OD1 ASN A 93 17.324 -2.047 8.410 1.00 1.14 O ATOM 1371 ND2 ASN A 93 15.579 -3.412 8.428 1.00 43.34 N ATOM 0 H ASN A 93 13.843 0.475 6.356 1.00 2.34 H new ATOM 0 HA ASN A 93 16.265 -0.912 5.738 1.00 12.33 H new ATOM 0 HB2 ASN A 93 15.595 -0.177 8.019 1.00 63.42 H new ATOM 0 HB3 ASN A 93 14.236 -1.284 7.985 1.00 63.42 H new ATOM 0 HD21 ASN A 93 16.130 -4.175 8.822 1.00 43.34 H new ATOM 0 HD22 ASN A 93 14.589 -3.550 8.225 1.00 43.34 H new ATOM 1378 N GLU A 94 13.416 -2.467 5.378 1.00 34.13 N ATOM 1379 CA GLU A 94 12.702 -3.629 4.877 1.00 63.01 C ATOM 1380 C GLU A 94 13.069 -3.858 3.411 1.00 54.31 C ATOM 1381 O GLU A 94 13.640 -4.903 3.058 1.00 23.30 O ATOM 1382 CB GLU A 94 11.203 -3.361 5.046 1.00 51.53 C ATOM 1383 CG GLU A 94 10.250 -4.308 4.362 1.00 13.04 C ATOM 1384 CD GLU A 94 8.831 -3.789 4.470 1.00 64.23 C ATOM 1385 OE1 GLU A 94 8.517 -2.761 3.804 1.00 52.44 O ATOM 1386 OE2 GLU A 94 8.054 -4.352 5.243 1.00 14.25 O ATOM 0 H GLU A 94 12.798 -1.693 5.621 1.00 34.13 H new ATOM 0 HA GLU A 94 12.972 -4.530 5.428 1.00 63.01 H new ATOM 0 HB2 GLU A 94 10.977 -3.367 6.112 1.00 51.53 H new ATOM 0 HB3 GLU A 94 10.997 -2.354 4.682 1.00 51.53 H new ATOM 0 HG2 GLU A 94 10.526 -4.419 3.313 1.00 13.04 H new ATOM 0 HG3 GLU A 94 10.319 -5.296 4.816 1.00 13.04 H new ATOM 1393 N ILE A 95 12.825 -2.847 2.578 1.00 20.14 N ATOM 1394 CA ILE A 95 13.115 -2.948 1.155 1.00 14.22 C ATOM 1395 C ILE A 95 14.613 -3.215 0.910 1.00 3.31 C ATOM 1396 O ILE A 95 14.971 -4.038 0.050 1.00 13.33 O ATOM 1397 CB ILE A 95 12.590 -1.715 0.333 1.00 23.30 C ATOM 1398 CG1 ILE A 95 12.842 -1.885 -1.175 1.00 65.32 C ATOM 1399 CG2 ILE A 95 13.183 -0.412 0.824 1.00 21.12 C ATOM 1400 CD1 ILE A 95 12.111 -3.061 -1.801 1.00 41.21 C ATOM 0 H ILE A 95 12.428 -1.953 2.866 1.00 20.14 H new ATOM 0 HA ILE A 95 12.560 -3.808 0.781 1.00 14.22 H new ATOM 0 HB ILE A 95 11.513 -1.674 0.494 1.00 23.30 H new ATOM 0 HG12 ILE A 95 12.542 -0.971 -1.687 1.00 65.32 H new ATOM 0 HG13 ILE A 95 13.912 -2.007 -1.341 1.00 65.32 H new ATOM 0 HG21 ILE A 95 12.793 0.413 0.228 1.00 21.12 H new ATOM 0 HG22 ILE A 95 12.916 -0.262 1.870 1.00 21.12 H new ATOM 0 HG23 ILE A 95 14.268 -0.447 0.728 1.00 21.12 H new ATOM 0 HD11 ILE A 95 12.343 -3.109 -2.865 1.00 41.21 H new ATOM 0 HD12 ILE A 95 12.428 -3.985 -1.318 1.00 41.21 H new ATOM 0 HD13 ILE A 95 11.037 -2.933 -1.669 1.00 41.21 H new ATOM 1412 N PHE A 96 15.491 -2.592 1.720 1.00 73.13 N ATOM 1413 CA PHE A 96 16.924 -2.866 1.611 1.00 53.21 C ATOM 1414 C PHE A 96 17.220 -4.329 1.891 1.00 5.33 C ATOM 1415 O PHE A 96 18.062 -4.914 1.238 1.00 64.10 O ATOM 1416 CB PHE A 96 17.804 -1.967 2.507 1.00 71.23 C ATOM 1417 CG PHE A 96 17.889 -0.516 2.091 1.00 51.25 C ATOM 1418 CD1 PHE A 96 17.966 -0.161 0.753 1.00 32.13 C ATOM 1419 CD2 PHE A 96 17.897 0.491 3.042 1.00 2.41 C ATOM 1420 CE1 PHE A 96 18.046 1.162 0.377 1.00 65.52 C ATOM 1421 CE2 PHE A 96 17.979 1.819 2.668 1.00 75.43 C ATOM 1422 CZ PHE A 96 18.052 2.153 1.333 1.00 43.15 C ATOM 0 H PHE A 96 15.236 -1.913 2.437 1.00 73.13 H new ATOM 0 HA PHE A 96 17.188 -2.628 0.581 1.00 53.21 H new ATOM 0 HB2 PHE A 96 17.420 -2.013 3.526 1.00 71.23 H new ATOM 0 HB3 PHE A 96 18.812 -2.380 2.528 1.00 71.23 H new ATOM 0 HD1 PHE A 96 17.963 -0.931 -0.004 1.00 32.13 H new ATOM 0 HD2 PHE A 96 17.838 0.235 4.090 1.00 2.41 H new ATOM 0 HE1 PHE A 96 18.104 1.422 -0.670 1.00 65.52 H new ATOM 0 HE2 PHE A 96 17.986 2.594 3.421 1.00 75.43 H new ATOM 0 HZ PHE A 96 18.114 3.190 1.037 1.00 43.15 H new ATOM 1432 N SER A 97 16.451 -4.942 2.778 1.00 12.02 N ATOM 1433 CA SER A 97 16.675 -6.334 3.126 1.00 15.24 C ATOM 1434 C SER A 97 16.188 -7.245 1.988 1.00 24.13 C ATOM 1435 O SER A 97 16.556 -8.408 1.905 1.00 63.42 O ATOM 1436 CB SER A 97 15.957 -6.674 4.439 1.00 3.20 C ATOM 1437 OG SER A 97 16.384 -5.818 5.496 1.00 41.44 O ATOM 0 H SER A 97 15.672 -4.500 3.266 1.00 12.02 H new ATOM 0 HA SER A 97 17.743 -6.498 3.268 1.00 15.24 H new ATOM 0 HB2 SER A 97 14.880 -6.579 4.303 1.00 3.20 H new ATOM 0 HB3 SER A 97 16.154 -7.712 4.706 1.00 3.20 H new ATOM 0 HG SER A 97 15.955 -4.942 5.401 1.00 41.44 H new ATOM 1443 N THR A 98 15.391 -6.683 1.096 1.00 1.54 N ATOM 1444 CA THR A 98 14.861 -7.422 -0.009 1.00 45.41 C ATOM 1445 C THR A 98 15.817 -7.323 -1.214 1.00 45.51 C ATOM 1446 O THR A 98 16.053 -8.291 -1.915 1.00 22.23 O ATOM 1447 CB THR A 98 13.472 -6.867 -0.390 1.00 52.14 C ATOM 1448 OG1 THR A 98 12.652 -6.795 0.789 1.00 4.42 O ATOM 1449 CG2 THR A 98 12.784 -7.760 -1.419 1.00 13.44 C ATOM 0 H THR A 98 15.101 -5.706 1.127 1.00 1.54 H new ATOM 0 HA THR A 98 14.760 -8.469 0.277 1.00 45.41 H new ATOM 0 HB THR A 98 13.606 -5.876 -0.825 1.00 52.14 H new ATOM 0 HG1 THR A 98 12.985 -6.085 1.376 1.00 4.42 H new ATOM 0 HG21 THR A 98 11.808 -7.343 -1.668 1.00 13.44 H new ATOM 0 HG22 THR A 98 13.395 -7.815 -2.320 1.00 13.44 H new ATOM 0 HG23 THR A 98 12.657 -8.760 -1.005 1.00 13.44 H new ATOM 1457 N ILE A 99 16.381 -6.148 -1.432 1.00 54.24 N ATOM 1458 CA ILE A 99 17.261 -5.952 -2.585 1.00 30.45 C ATOM 1459 C ILE A 99 18.708 -6.223 -2.337 1.00 40.53 C ATOM 1460 O ILE A 99 19.483 -6.389 -3.283 1.00 72.24 O ATOM 1461 CB ILE A 99 17.156 -4.591 -3.200 1.00 31.33 C ATOM 1462 CG1 ILE A 99 17.263 -3.464 -2.154 1.00 65.32 C ATOM 1463 CG2 ILE A 99 15.930 -4.501 -4.040 1.00 1.33 C ATOM 1464 CD1 ILE A 99 17.158 -2.066 -2.723 1.00 54.43 C ATOM 0 H ILE A 99 16.253 -5.326 -0.842 1.00 54.24 H new ATOM 0 HA ILE A 99 16.883 -6.706 -3.275 1.00 30.45 H new ATOM 0 HB ILE A 99 18.013 -4.444 -3.858 1.00 31.33 H new ATOM 0 HG12 ILE A 99 16.477 -3.600 -1.411 1.00 65.32 H new ATOM 0 HG13 ILE A 99 18.215 -3.559 -1.632 1.00 65.32 H new ATOM 0 HG21 ILE A 99 15.864 -3.507 -4.482 1.00 1.33 H new ATOM 0 HG22 ILE A 99 15.976 -5.248 -4.832 1.00 1.33 H new ATOM 0 HG23 ILE A 99 15.051 -4.682 -3.421 1.00 1.33 H new ATOM 0 HD11 ILE A 99 17.244 -1.338 -1.917 1.00 54.43 H new ATOM 0 HD12 ILE A 99 17.960 -1.905 -3.444 1.00 54.43 H new ATOM 0 HD13 ILE A 99 16.195 -1.946 -3.219 1.00 54.43 H new ATOM 1476 N ALA A 100 19.106 -6.227 -1.114 1.00 22.53 N ATOM 1477 CA ALA A 100 20.488 -6.476 -0.799 1.00 32.43 C ATOM 1478 C ALA A 100 20.711 -7.966 -0.613 1.00 24.11 C ATOM 1479 O ALA A 100 21.804 -8.427 -0.296 1.00 54.44 O ATOM 1480 CB ALA A 100 20.867 -5.684 0.407 1.00 62.03 C ATOM 0 H ALA A 100 18.503 -6.062 -0.308 1.00 22.53 H new ATOM 0 HA ALA A 100 21.132 -6.157 -1.619 1.00 32.43 H new ATOM 0 HB1 ALA A 100 21.913 -5.869 0.650 1.00 62.03 H new ATOM 0 HB2 ALA A 100 20.724 -4.623 0.205 1.00 62.03 H new ATOM 0 HB3 ALA A 100 20.241 -5.981 1.249 1.00 62.03 H new ATOM 1486 N ALA A 101 19.649 -8.686 -0.868 1.00 24.30 N ATOM 1487 CA ALA A 101 19.571 -10.113 -0.812 1.00 41.35 C ATOM 1488 C ALA A 101 20.587 -10.754 -1.759 1.00 52.14 C ATOM 1489 O ALA A 101 20.457 -10.662 -2.982 1.00 14.41 O ATOM 1490 CB ALA A 101 18.174 -10.493 -1.229 1.00 32.22 C ATOM 0 H ALA A 101 18.763 -8.259 -1.137 1.00 24.30 H new ATOM 0 HA ALA A 101 19.796 -10.465 0.195 1.00 41.35 H new ATOM 0 HB1 ALA A 101 18.068 -11.577 -1.201 1.00 32.22 H new ATOM 0 HB2 ALA A 101 17.455 -10.041 -0.546 1.00 32.22 H new ATOM 0 HB3 ALA A 101 17.987 -10.136 -2.242 1.00 32.22 H new ATOM 1496 N GLY A 102 21.620 -11.335 -1.191 1.00 72.24 N ATOM 1497 CA GLY A 102 22.609 -12.031 -1.986 1.00 34.31 C ATOM 1498 C GLY A 102 23.798 -11.166 -2.318 1.00 63.51 C ATOM 1499 O GLY A 102 24.694 -11.589 -3.032 1.00 0.45 O ATOM 0 H GLY A 102 21.798 -11.340 -0.187 1.00 72.24 H new ATOM 0 HA2 GLY A 102 22.947 -12.915 -1.446 1.00 34.31 H new ATOM 0 HA3 GLY A 102 22.148 -12.379 -2.910 1.00 34.31 H new ATOM 1503 N LYS A 103 23.793 -9.953 -1.825 1.00 50.31 N ATOM 1504 CA LYS A 103 24.891 -9.042 -2.055 1.00 11.33 C ATOM 1505 C LYS A 103 25.641 -8.823 -0.750 1.00 22.42 C ATOM 1506 O LYS A 103 25.239 -9.335 0.303 1.00 5.21 O ATOM 1507 CB LYS A 103 24.409 -7.645 -2.566 1.00 34.13 C ATOM 1508 CG LYS A 103 23.713 -7.561 -3.945 1.00 43.33 C ATOM 1509 CD LYS A 103 22.327 -8.197 -3.965 1.00 71.33 C ATOM 1510 CE LYS A 103 21.557 -7.846 -5.238 1.00 75.04 C ATOM 1511 NZ LYS A 103 21.303 -6.388 -5.329 1.00 41.03 N ATOM 0 H LYS A 103 23.037 -9.570 -1.258 1.00 50.31 H new ATOM 0 HA LYS A 103 25.526 -9.492 -2.818 1.00 11.33 H new ATOM 0 HB2 LYS A 103 23.722 -7.240 -1.823 1.00 34.13 H new ATOM 0 HB3 LYS A 103 25.276 -6.985 -2.592 1.00 34.13 H new ATOM 0 HG2 LYS A 103 23.628 -6.514 -4.238 1.00 43.33 H new ATOM 0 HG3 LYS A 103 24.340 -8.051 -4.690 1.00 43.33 H new ATOM 0 HD2 LYS A 103 22.423 -9.280 -3.886 1.00 71.33 H new ATOM 0 HD3 LYS A 103 21.762 -7.863 -3.095 1.00 71.33 H new ATOM 0 HE2 LYS A 103 22.123 -8.174 -6.110 1.00 75.04 H new ATOM 0 HE3 LYS A 103 20.609 -8.384 -5.252 1.00 75.04 H new ATOM 0 HZ1 LYS A 103 20.693 -6.192 -6.148 1.00 41.03 H new ATOM 0 HZ2 LYS A 103 20.832 -6.063 -4.461 1.00 41.03 H new ATOM 0 HZ3 LYS A 103 22.206 -5.885 -5.442 1.00 41.03 H new ATOM 1525 N ASP A 104 26.732 -8.126 -0.847 1.00 21.54 N ATOM 1526 CA ASP A 104 27.461 -7.576 0.292 1.00 52.30 C ATOM 1527 C ASP A 104 27.368 -6.060 0.151 1.00 54.53 C ATOM 1528 O ASP A 104 26.989 -5.329 1.077 1.00 23.33 O ATOM 1529 CB ASP A 104 28.948 -8.023 0.270 1.00 4.45 C ATOM 1530 CG ASP A 104 29.664 -7.620 -1.018 1.00 12.02 C ATOM 1531 OD1 ASP A 104 29.224 -8.064 -2.103 1.00 0.15 O ATOM 1532 OD2 ASP A 104 30.566 -6.772 -0.967 1.00 2.33 O ATOM 0 H ASP A 104 27.167 -7.908 -1.744 1.00 21.54 H new ATOM 0 HA ASP A 104 27.039 -7.926 1.234 1.00 52.30 H new ATOM 0 HB2 ASP A 104 29.468 -7.585 1.122 1.00 4.45 H new ATOM 0 HB3 ASP A 104 29.000 -9.106 0.387 1.00 4.45 H new ATOM 1537 N SER A 105 27.636 -5.617 -1.043 1.00 71.32 N ATOM 1538 CA SER A 105 27.566 -4.267 -1.404 1.00 13.25 C ATOM 1539 C SER A 105 26.356 -4.052 -2.304 1.00 34.40 C ATOM 1540 O SER A 105 26.180 -4.739 -3.317 1.00 11.11 O ATOM 1541 CB SER A 105 28.862 -3.876 -2.111 1.00 52.11 C ATOM 1542 OG SER A 105 29.985 -4.106 -1.273 1.00 20.52 O ATOM 0 H SER A 105 27.919 -6.228 -1.809 1.00 71.32 H new ATOM 0 HA SER A 105 27.450 -3.638 -0.522 1.00 13.25 H new ATOM 0 HB2 SER A 105 28.966 -4.450 -3.032 1.00 52.11 H new ATOM 0 HB3 SER A 105 28.824 -2.824 -2.394 1.00 52.11 H new ATOM 0 HG SER A 105 30.145 -5.070 -1.198 1.00 20.52 H new ATOM 1548 N ILE A 106 25.511 -3.143 -1.913 1.00 63.32 N ATOM 1549 CA ILE A 106 24.346 -2.802 -2.680 1.00 5.52 C ATOM 1550 C ILE A 106 24.743 -1.676 -3.635 1.00 12.13 C ATOM 1551 O ILE A 106 25.704 -0.967 -3.380 1.00 62.12 O ATOM 1552 CB ILE A 106 23.139 -2.397 -1.735 1.00 63.43 C ATOM 1553 CG1 ILE A 106 21.871 -2.100 -2.519 1.00 53.33 C ATOM 1554 CG2 ILE A 106 23.471 -1.183 -0.879 1.00 72.53 C ATOM 1555 CD1 ILE A 106 20.637 -1.997 -1.652 1.00 65.31 C ATOM 0 H ILE A 106 25.611 -2.613 -1.047 1.00 63.32 H new ATOM 0 HA ILE A 106 23.994 -3.659 -3.254 1.00 5.52 H new ATOM 0 HB ILE A 106 22.969 -3.260 -1.092 1.00 63.43 H new ATOM 0 HG12 ILE A 106 22.001 -1.165 -3.065 1.00 53.33 H new ATOM 0 HG13 ILE A 106 21.720 -2.884 -3.261 1.00 53.33 H new ATOM 0 HG21 ILE A 106 22.617 -0.939 -0.247 1.00 72.53 H new ATOM 0 HG22 ILE A 106 24.335 -1.405 -0.253 1.00 72.53 H new ATOM 0 HG23 ILE A 106 23.699 -0.334 -1.524 1.00 72.53 H new ATOM 0 HD11 ILE A 106 19.770 -1.784 -2.277 1.00 65.31 H new ATOM 0 HD12 ILE A 106 20.482 -2.939 -1.126 1.00 65.31 H new ATOM 0 HD13 ILE A 106 20.768 -1.194 -0.927 1.00 65.31 H new ATOM 1567 N THR A 107 24.092 -1.560 -4.745 1.00 23.50 N ATOM 1568 CA THR A 107 24.425 -0.514 -5.666 1.00 33.03 C ATOM 1569 C THR A 107 23.325 0.546 -5.630 1.00 30.52 C ATOM 1570 O THR A 107 22.211 0.260 -5.166 1.00 31.32 O ATOM 1571 CB THR A 107 24.547 -1.079 -7.101 1.00 72.30 C ATOM 1572 OG1 THR A 107 23.309 -1.700 -7.484 1.00 43.22 O ATOM 1573 CG2 THR A 107 25.678 -2.098 -7.196 1.00 31.12 C ATOM 0 H THR A 107 23.330 -2.171 -5.039 1.00 23.50 H new ATOM 0 HA THR A 107 25.381 -0.075 -5.380 1.00 33.03 H new ATOM 0 HB THR A 107 24.771 -0.252 -7.775 1.00 72.30 H new ATOM 0 HG1 THR A 107 23.175 -2.515 -6.957 1.00 43.22 H new ATOM 0 HG21 THR A 107 25.740 -2.478 -8.216 1.00 31.12 H new ATOM 0 HG22 THR A 107 26.621 -1.621 -6.928 1.00 31.12 H new ATOM 0 HG23 THR A 107 25.482 -2.924 -6.512 1.00 31.12 H new ATOM 1581 N GLU A 108 23.606 1.762 -6.097 1.00 65.54 N ATOM 1582 CA GLU A 108 22.553 2.769 -6.209 1.00 43.31 C ATOM 1583 C GLU A 108 21.472 2.269 -7.139 1.00 74.42 C ATOM 1584 O GLU A 108 20.272 2.433 -6.889 1.00 2.40 O ATOM 1585 CB GLU A 108 23.072 4.092 -6.733 1.00 61.40 C ATOM 1586 CG GLU A 108 21.930 4.956 -7.210 1.00 12.51 C ATOM 1587 CD GLU A 108 22.355 6.280 -7.757 1.00 74.12 C ATOM 1588 OE1 GLU A 108 22.457 7.247 -6.976 1.00 22.32 O ATOM 1589 OE2 GLU A 108 22.550 6.360 -8.967 1.00 75.05 O ATOM 0 H GLU A 108 24.531 2.069 -6.397 1.00 65.54 H new ATOM 0 HA GLU A 108 22.159 2.935 -5.206 1.00 43.31 H new ATOM 0 HB2 GLU A 108 23.624 4.609 -5.948 1.00 61.40 H new ATOM 0 HB3 GLU A 108 23.770 3.917 -7.552 1.00 61.40 H new ATOM 0 HG2 GLU A 108 21.378 4.417 -7.980 1.00 12.51 H new ATOM 0 HG3 GLU A 108 21.242 5.121 -6.381 1.00 12.51 H new ATOM 1596 N THR A 109 21.915 1.643 -8.187 1.00 74.42 N ATOM 1597 CA THR A 109 21.083 1.047 -9.161 1.00 65.42 C ATOM 1598 C THR A 109 20.195 -0.056 -8.522 1.00 33.11 C ATOM 1599 O THR A 109 19.259 -0.507 -9.114 1.00 50.42 O ATOM 1600 CB THR A 109 21.971 0.489 -10.255 1.00 73.22 C ATOM 1601 OG1 THR A 109 22.871 1.533 -10.684 1.00 44.43 O ATOM 1602 CG2 THR A 109 21.168 -0.049 -11.442 1.00 11.03 C ATOM 0 H THR A 109 22.910 1.535 -8.385 1.00 74.42 H new ATOM 0 HA THR A 109 20.404 1.786 -9.587 1.00 65.42 H new ATOM 0 HB THR A 109 22.528 -0.358 -9.854 1.00 73.22 H new ATOM 0 HG1 THR A 109 23.456 1.190 -11.392 1.00 44.43 H new ATOM 0 HG21 THR A 109 21.851 -0.437 -12.198 1.00 11.03 H new ATOM 0 HG22 THR A 109 20.509 -0.849 -11.103 1.00 11.03 H new ATOM 0 HG23 THR A 109 20.571 0.755 -11.872 1.00 11.03 H new ATOM 1610 N ASP A 110 20.568 -0.546 -7.355 1.00 14.43 N ATOM 1611 CA ASP A 110 19.680 -1.393 -6.583 1.00 1.14 C ATOM 1612 C ASP A 110 18.701 -0.544 -5.820 1.00 50.43 C ATOM 1613 O ASP A 110 17.495 -0.718 -5.925 1.00 53.22 O ATOM 1614 CB ASP A 110 20.428 -2.307 -5.618 1.00 64.44 C ATOM 1615 CG ASP A 110 20.934 -3.557 -6.260 1.00 70.11 C ATOM 1616 OD1 ASP A 110 20.108 -4.329 -6.849 1.00 61.02 O ATOM 1617 OD2 ASP A 110 22.142 -3.845 -6.140 1.00 33.54 O ATOM 0 H ASP A 110 21.476 -0.373 -6.923 1.00 14.43 H new ATOM 0 HA ASP A 110 19.154 -2.033 -7.291 1.00 1.14 H new ATOM 0 HB2 ASP A 110 21.268 -1.761 -5.189 1.00 64.44 H new ATOM 0 HB3 ASP A 110 19.766 -2.572 -4.793 1.00 64.44 H new ATOM 1622 N MET A 111 19.253 0.414 -5.105 1.00 4.41 N ATOM 1623 CA MET A 111 18.518 1.301 -4.205 1.00 71.04 C ATOM 1624 C MET A 111 17.425 2.150 -4.879 1.00 62.53 C ATOM 1625 O MET A 111 16.254 1.966 -4.576 1.00 12.52 O ATOM 1626 CB MET A 111 19.484 2.173 -3.395 1.00 52.21 C ATOM 1627 CG MET A 111 20.316 1.405 -2.389 1.00 31.43 C ATOM 1628 SD MET A 111 21.366 2.454 -1.359 1.00 14.43 S ATOM 1629 CE MET A 111 22.499 3.130 -2.560 1.00 43.24 C ATOM 0 H MET A 111 20.254 0.609 -5.129 1.00 4.41 H new ATOM 0 HA MET A 111 17.974 0.640 -3.530 1.00 71.04 H new ATOM 0 HB2 MET A 111 20.152 2.691 -4.083 1.00 52.21 H new ATOM 0 HB3 MET A 111 18.912 2.938 -2.869 1.00 52.21 H new ATOM 0 HG2 MET A 111 19.651 0.829 -1.745 1.00 31.43 H new ATOM 0 HG3 MET A 111 20.943 0.690 -2.921 1.00 31.43 H new ATOM 0 HE1 MET A 111 23.297 3.665 -2.046 1.00 43.24 H new ATOM 0 HE2 MET A 111 22.927 2.321 -3.152 1.00 43.24 H new ATOM 0 HE3 MET A 111 21.966 3.817 -3.217 1.00 43.24 H new ATOM 1639 N GLN A 112 17.784 3.059 -5.804 1.00 65.14 N ATOM 1640 CA GLN A 112 16.754 3.944 -6.410 1.00 40.41 C ATOM 1641 C GLN A 112 15.810 3.177 -7.294 1.00 34.04 C ATOM 1642 O GLN A 112 14.650 3.539 -7.448 1.00 61.10 O ATOM 1643 CB GLN A 112 17.319 5.186 -7.136 1.00 21.42 C ATOM 1644 CG GLN A 112 18.344 4.928 -8.227 1.00 42.24 C ATOM 1645 CD GLN A 112 18.529 6.154 -9.119 1.00 73.01 C ATOM 1646 OE1 GLN A 112 17.592 6.911 -9.338 1.00 31.22 O ATOM 1647 NE2 GLN A 112 19.723 6.393 -9.595 1.00 22.50 N ATOM 0 H GLN A 112 18.736 3.203 -6.142 1.00 65.14 H new ATOM 0 HA GLN A 112 16.193 4.337 -5.562 1.00 40.41 H new ATOM 0 HB2 GLN A 112 16.485 5.733 -7.575 1.00 21.42 H new ATOM 0 HB3 GLN A 112 17.772 5.840 -6.391 1.00 21.42 H new ATOM 0 HG2 GLN A 112 19.298 4.658 -7.775 1.00 42.24 H new ATOM 0 HG3 GLN A 112 18.027 4.080 -8.833 1.00 42.24 H new ATOM 0 HE21 GLN A 112 20.489 5.748 -9.399 1.00 22.50 H new ATOM 0 HE22 GLN A 112 19.889 7.225 -10.162 1.00 22.50 H new ATOM 1656 N LYS A 113 16.320 2.102 -7.842 1.00 42.45 N ATOM 1657 CA LYS A 113 15.534 1.171 -8.659 1.00 65.10 C ATOM 1658 C LYS A 113 14.333 0.642 -7.865 1.00 23.12 C ATOM 1659 O LYS A 113 13.235 0.546 -8.377 1.00 11.42 O ATOM 1660 CB LYS A 113 16.431 0.013 -9.031 1.00 74.15 C ATOM 1661 CG LYS A 113 15.834 -1.098 -9.899 1.00 3.04 C ATOM 1662 CD LYS A 113 16.861 -2.221 -10.115 1.00 32.55 C ATOM 1663 CE LYS A 113 17.259 -2.913 -8.798 1.00 61.14 C ATOM 1664 NZ LYS A 113 18.555 -3.635 -8.930 1.00 75.01 N ATOM 0 H LYS A 113 17.299 1.834 -7.741 1.00 42.45 H new ATOM 0 HA LYS A 113 15.163 1.682 -9.547 1.00 65.10 H new ATOM 0 HB2 LYS A 113 17.300 0.415 -9.552 1.00 74.15 H new ATOM 0 HB3 LYS A 113 16.794 -0.440 -8.109 1.00 74.15 H new ATOM 0 HG2 LYS A 113 14.941 -1.501 -9.422 1.00 3.04 H new ATOM 0 HG3 LYS A 113 15.525 -0.690 -10.861 1.00 3.04 H new ATOM 0 HD2 LYS A 113 16.448 -2.961 -10.801 1.00 32.55 H new ATOM 0 HD3 LYS A 113 17.752 -1.809 -10.590 1.00 32.55 H new ATOM 0 HE2 LYS A 113 17.335 -2.170 -8.004 1.00 61.14 H new ATOM 0 HE3 LYS A 113 16.479 -3.615 -8.504 1.00 61.14 H new ATOM 0 HZ1 LYS A 113 18.911 -3.885 -7.985 1.00 75.01 H new ATOM 0 HZ2 LYS A 113 18.414 -4.501 -9.488 1.00 75.01 H new ATOM 0 HZ3 LYS A 113 19.246 -3.023 -9.409 1.00 75.01 H new ATOM 1678 N ALA A 114 14.548 0.382 -6.586 1.00 14.10 N ATOM 1679 CA ALA A 114 13.530 -0.203 -5.712 1.00 43.44 C ATOM 1680 C ALA A 114 12.471 0.822 -5.270 1.00 51.35 C ATOM 1681 O ALA A 114 11.755 0.600 -4.296 1.00 11.21 O ATOM 1682 CB ALA A 114 14.202 -0.821 -4.506 1.00 11.43 C ATOM 0 H ALA A 114 15.435 0.569 -6.118 1.00 14.10 H new ATOM 0 HA ALA A 114 13.003 -0.970 -6.281 1.00 43.44 H new ATOM 0 HB1 ALA A 114 13.447 -1.258 -3.853 1.00 11.43 H new ATOM 0 HB2 ALA A 114 14.893 -1.598 -4.833 1.00 11.43 H new ATOM 0 HB3 ALA A 114 14.752 -0.053 -3.962 1.00 11.43 H new ATOM 1688 N GLY A 115 12.354 1.904 -6.021 1.00 40.33 N ATOM 1689 CA GLY A 115 11.398 2.959 -5.709 1.00 31.34 C ATOM 1690 C GLY A 115 11.725 3.701 -4.423 1.00 62.32 C ATOM 1691 O GLY A 115 10.837 4.225 -3.756 1.00 33.23 O ATOM 0 H GLY A 115 12.912 2.078 -6.857 1.00 40.33 H new ATOM 0 HA2 GLY A 115 11.369 3.670 -6.534 1.00 31.34 H new ATOM 0 HA3 GLY A 115 10.401 2.525 -5.627 1.00 31.34 H new ATOM 1695 N MET A 116 12.992 3.751 -4.090 1.00 0.24 N ATOM 1696 CA MET A 116 13.434 4.412 -2.879 1.00 55.11 C ATOM 1697 C MET A 116 13.608 5.900 -3.067 1.00 64.31 C ATOM 1698 O MET A 116 14.055 6.357 -4.123 1.00 4.25 O ATOM 1699 CB MET A 116 14.717 3.788 -2.334 1.00 41.25 C ATOM 1700 CG MET A 116 14.500 2.625 -1.387 1.00 32.54 C ATOM 1701 SD MET A 116 13.696 3.139 0.156 1.00 11.42 S ATOM 1702 CE MET A 116 14.866 4.355 0.779 1.00 53.14 C ATOM 0 H MET A 116 13.743 3.339 -4.644 1.00 0.24 H new ATOM 0 HA MET A 116 12.642 4.265 -2.144 1.00 55.11 H new ATOM 0 HB2 MET A 116 15.325 3.448 -3.173 1.00 41.25 H new ATOM 0 HB3 MET A 116 15.289 4.558 -1.817 1.00 41.25 H new ATOM 0 HG2 MET A 116 13.889 1.868 -1.878 1.00 32.54 H new ATOM 0 HG3 MET A 116 15.459 2.161 -1.158 1.00 32.54 H new ATOM 0 HE1 MET A 116 14.631 4.587 1.818 1.00 53.14 H new ATOM 0 HE2 MET A 116 15.877 3.952 0.717 1.00 53.14 H new ATOM 0 HE3 MET A 116 14.800 5.264 0.180 1.00 53.14 H new ATOM 1712 N SER A 117 13.235 6.637 -2.042 1.00 50.23 N ATOM 1713 CA SER A 117 13.351 8.075 -1.983 1.00 1.03 C ATOM 1714 C SER A 117 14.815 8.520 -2.216 1.00 50.15 C ATOM 1715 O SER A 117 15.710 8.255 -1.392 1.00 43.41 O ATOM 1716 CB SER A 117 12.860 8.500 -0.616 1.00 3.10 C ATOM 1717 OG SER A 117 11.595 7.904 -0.345 1.00 41.51 O ATOM 0 H SER A 117 12.828 6.234 -1.198 1.00 50.23 H new ATOM 0 HA SER A 117 12.756 8.545 -2.766 1.00 1.03 H new ATOM 0 HB2 SER A 117 13.581 8.205 0.146 1.00 3.10 H new ATOM 0 HB3 SER A 117 12.776 9.586 -0.572 1.00 3.10 H new ATOM 0 HG SER A 117 11.285 8.183 0.542 1.00 41.51 H new ATOM 1723 N ALA A 118 15.035 9.187 -3.343 1.00 51.02 N ATOM 1724 CA ALA A 118 16.362 9.590 -3.818 1.00 13.34 C ATOM 1725 C ALA A 118 17.157 10.390 -2.790 1.00 45.05 C ATOM 1726 O ALA A 118 18.356 10.161 -2.613 1.00 35.33 O ATOM 1727 CB ALA A 118 16.240 10.369 -5.118 1.00 74.45 C ATOM 0 H ALA A 118 14.282 9.471 -3.969 1.00 51.02 H new ATOM 0 HA ALA A 118 16.922 8.671 -3.990 1.00 13.34 H new ATOM 0 HB1 ALA A 118 17.232 10.663 -5.461 1.00 74.45 H new ATOM 0 HB2 ALA A 118 15.766 9.743 -5.874 1.00 74.45 H new ATOM 0 HB3 ALA A 118 15.635 11.260 -4.953 1.00 74.45 H new ATOM 1733 N GLU A 119 16.486 11.263 -2.072 1.00 55.12 N ATOM 1734 CA GLU A 119 17.142 12.139 -1.113 1.00 54.35 C ATOM 1735 C GLU A 119 17.581 11.344 0.116 1.00 12.51 C ATOM 1736 O GLU A 119 18.528 11.713 0.814 1.00 51.01 O ATOM 1737 CB GLU A 119 16.208 13.327 -0.728 1.00 50.25 C ATOM 1738 CG GLU A 119 15.028 13.015 0.225 1.00 14.45 C ATOM 1739 CD GLU A 119 14.234 11.777 -0.139 1.00 23.52 C ATOM 1740 OE1 GLU A 119 13.873 11.606 -1.328 1.00 51.23 O ATOM 1741 OE2 GLU A 119 14.019 10.935 0.757 1.00 25.44 O ATOM 0 H GLU A 119 15.476 11.389 -2.132 1.00 55.12 H new ATOM 0 HA GLU A 119 18.036 12.561 -1.573 1.00 54.35 H new ATOM 0 HB2 GLU A 119 16.819 14.103 -0.267 1.00 50.25 H new ATOM 0 HB3 GLU A 119 15.799 13.748 -1.647 1.00 50.25 H new ATOM 0 HG2 GLU A 119 15.416 12.897 1.237 1.00 14.45 H new ATOM 0 HG3 GLU A 119 14.354 13.872 0.240 1.00 14.45 H new ATOM 1748 N GLN A 120 16.921 10.222 0.335 1.00 55.12 N ATOM 1749 CA GLN A 120 17.198 9.390 1.458 1.00 4.13 C ATOM 1750 C GLN A 120 18.399 8.554 1.097 1.00 63.45 C ATOM 1751 O GLN A 120 19.342 8.400 1.879 1.00 61.41 O ATOM 1752 CB GLN A 120 15.993 8.494 1.732 1.00 13.54 C ATOM 1753 CG GLN A 120 15.787 8.161 3.188 1.00 2.42 C ATOM 1754 CD GLN A 120 15.468 9.400 4.024 1.00 75.31 C ATOM 1755 OE1 GLN A 120 15.798 9.458 5.198 1.00 12.03 O ATOM 1756 NE2 GLN A 120 14.823 10.393 3.429 1.00 14.12 N ATOM 0 H GLN A 120 16.178 9.874 -0.271 1.00 55.12 H new ATOM 0 HA GLN A 120 17.395 9.979 2.354 1.00 4.13 H new ATOM 0 HB2 GLN A 120 15.096 8.984 1.353 1.00 13.54 H new ATOM 0 HB3 GLN A 120 16.110 7.566 1.172 1.00 13.54 H new ATOM 0 HG2 GLN A 120 14.974 7.442 3.283 1.00 2.42 H new ATOM 0 HG3 GLN A 120 16.684 7.682 3.580 1.00 2.42 H new ATOM 0 HE21 GLN A 120 14.561 10.315 2.446 1.00 14.12 H new ATOM 0 HE22 GLN A 120 14.589 11.236 3.954 1.00 14.12 H new ATOM 1765 N ILE A 121 18.383 8.077 -0.144 1.00 52.22 N ATOM 1766 CA ILE A 121 19.456 7.277 -0.706 1.00 71.43 C ATOM 1767 C ILE A 121 20.760 8.051 -0.661 1.00 41.43 C ATOM 1768 O ILE A 121 21.798 7.490 -0.363 1.00 13.41 O ATOM 1769 CB ILE A 121 19.152 6.877 -2.174 1.00 34.15 C ATOM 1770 CG1 ILE A 121 17.847 6.095 -2.242 1.00 2.04 C ATOM 1771 CG2 ILE A 121 20.293 6.049 -2.769 1.00 44.31 C ATOM 1772 CD1 ILE A 121 17.419 5.764 -3.641 1.00 53.21 C ATOM 0 H ILE A 121 17.613 8.240 -0.793 1.00 52.22 H new ATOM 0 HA ILE A 121 19.541 6.370 -0.108 1.00 71.43 H new ATOM 0 HB ILE A 121 19.055 7.790 -2.761 1.00 34.15 H new ATOM 0 HG12 ILE A 121 17.957 5.170 -1.676 1.00 2.04 H new ATOM 0 HG13 ILE A 121 17.061 6.673 -1.757 1.00 2.04 H new ATOM 0 HG21 ILE A 121 20.052 5.783 -3.798 1.00 44.31 H new ATOM 0 HG22 ILE A 121 21.214 6.632 -2.751 1.00 44.31 H new ATOM 0 HG23 ILE A 121 20.428 5.141 -2.182 1.00 44.31 H new ATOM 0 HD11 ILE A 121 16.483 5.207 -3.613 1.00 53.21 H new ATOM 0 HD12 ILE A 121 17.276 6.685 -4.205 1.00 53.21 H new ATOM 0 HD13 ILE A 121 18.187 5.159 -4.123 1.00 53.21 H new ATOM 1784 N GLU A 122 20.679 9.347 -0.903 1.00 52.50 N ATOM 1785 CA GLU A 122 21.846 10.211 -0.894 1.00 53.00 C ATOM 1786 C GLU A 122 22.470 10.245 0.527 1.00 51.32 C ATOM 1787 O GLU A 122 23.677 10.373 0.686 1.00 44.12 O ATOM 1788 CB GLU A 122 21.453 11.613 -1.371 1.00 64.30 C ATOM 1789 CG GLU A 122 22.591 12.402 -2.010 1.00 10.34 C ATOM 1790 CD GLU A 122 23.168 11.688 -3.229 1.00 43.21 C ATOM 1791 OE1 GLU A 122 22.387 11.257 -4.114 1.00 40.21 O ATOM 1792 OE2 GLU A 122 24.388 11.492 -3.294 1.00 13.02 O ATOM 0 H GLU A 122 19.805 9.829 -1.111 1.00 52.50 H new ATOM 0 HA GLU A 122 22.599 9.820 -1.578 1.00 53.00 H new ATOM 0 HB2 GLU A 122 20.639 11.524 -2.091 1.00 64.30 H new ATOM 0 HB3 GLU A 122 21.067 12.178 -0.522 1.00 64.30 H new ATOM 0 HG2 GLU A 122 22.229 13.387 -2.305 1.00 10.34 H new ATOM 0 HG3 GLU A 122 23.380 12.560 -1.275 1.00 10.34 H new ATOM 1799 N TYR A 123 21.634 10.055 1.556 1.00 65.42 N ATOM 1800 CA TYR A 123 22.127 9.987 2.927 1.00 52.43 C ATOM 1801 C TYR A 123 22.750 8.611 3.159 1.00 33.12 C ATOM 1802 O TYR A 123 23.813 8.471 3.801 1.00 3.24 O ATOM 1803 CB TYR A 123 20.990 10.255 3.939 1.00 64.45 C ATOM 1804 CG TYR A 123 21.385 10.021 5.385 1.00 20.45 C ATOM 1805 CD1 TYR A 123 22.166 10.939 6.075 1.00 31.44 C ATOM 1806 CD2 TYR A 123 20.986 8.865 6.054 1.00 0.13 C ATOM 1807 CE1 TYR A 123 22.540 10.712 7.387 1.00 11.21 C ATOM 1808 CE2 TYR A 123 21.350 8.635 7.363 1.00 44.52 C ATOM 1809 CZ TYR A 123 22.128 9.560 8.026 1.00 65.25 C ATOM 1810 OH TYR A 123 22.505 9.326 9.327 1.00 74.03 O ATOM 0 H TYR A 123 20.624 9.947 1.462 1.00 65.42 H new ATOM 0 HA TYR A 123 22.882 10.758 3.078 1.00 52.43 H new ATOM 0 HB2 TYR A 123 20.653 11.286 3.827 1.00 64.45 H new ATOM 0 HB3 TYR A 123 20.142 9.614 3.696 1.00 64.45 H new ATOM 0 HD1 TYR A 123 22.486 11.844 5.580 1.00 31.44 H new ATOM 0 HD2 TYR A 123 20.380 8.136 5.537 1.00 0.13 H new ATOM 0 HE1 TYR A 123 23.152 11.433 7.909 1.00 11.21 H new ATOM 0 HE2 TYR A 123 21.028 7.736 7.866 1.00 44.52 H new ATOM 0 HH TYR A 123 22.130 8.472 9.628 1.00 74.03 H new ATOM 1820 N VAL A 124 22.093 7.603 2.606 1.00 21.02 N ATOM 1821 CA VAL A 124 22.564 6.224 2.659 1.00 22.24 C ATOM 1822 C VAL A 124 23.977 6.143 2.065 1.00 52.43 C ATOM 1823 O VAL A 124 24.837 5.458 2.595 1.00 62.52 O ATOM 1824 CB VAL A 124 21.592 5.269 1.891 1.00 3.31 C ATOM 1825 CG1 VAL A 124 22.091 3.835 1.893 1.00 44.04 C ATOM 1826 CG2 VAL A 124 20.197 5.329 2.496 1.00 41.03 C ATOM 0 H VAL A 124 21.212 7.718 2.104 1.00 21.02 H new ATOM 0 HA VAL A 124 22.591 5.902 3.700 1.00 22.24 H new ATOM 0 HB VAL A 124 21.553 5.611 0.857 1.00 3.31 H new ATOM 0 HG11 VAL A 124 21.388 3.204 1.350 1.00 44.04 H new ATOM 0 HG12 VAL A 124 23.067 3.789 1.411 1.00 44.04 H new ATOM 0 HG13 VAL A 124 22.177 3.481 2.920 1.00 44.04 H new ATOM 0 HG21 VAL A 124 19.534 4.658 1.949 1.00 41.03 H new ATOM 0 HG22 VAL A 124 20.240 5.024 3.541 1.00 41.03 H new ATOM 0 HG23 VAL A 124 19.816 6.348 2.431 1.00 41.03 H new ATOM 1836 N LYS A 125 24.203 6.917 1.009 1.00 53.24 N ATOM 1837 CA LYS A 125 25.502 7.010 0.341 1.00 71.51 C ATOM 1838 C LYS A 125 26.566 7.595 1.267 1.00 61.31 C ATOM 1839 O LYS A 125 27.752 7.287 1.145 1.00 51.30 O ATOM 1840 CB LYS A 125 25.408 7.902 -0.892 1.00 15.45 C ATOM 1841 CG LYS A 125 24.421 7.455 -1.945 1.00 65.42 C ATOM 1842 CD LYS A 125 24.428 8.412 -3.109 1.00 31.24 C ATOM 1843 CE LYS A 125 23.407 8.033 -4.151 1.00 23.42 C ATOM 1844 NZ LYS A 125 23.322 9.034 -5.230 1.00 1.04 N ATOM 0 H LYS A 125 23.484 7.504 0.586 1.00 53.24 H new ATOM 0 HA LYS A 125 25.785 5.997 0.056 1.00 71.51 H new ATOM 0 HB2 LYS A 125 25.139 8.908 -0.571 1.00 15.45 H new ATOM 0 HB3 LYS A 125 26.396 7.966 -1.349 1.00 15.45 H new ATOM 0 HG2 LYS A 125 24.675 6.452 -2.289 1.00 65.42 H new ATOM 0 HG3 LYS A 125 23.421 7.401 -1.516 1.00 65.42 H new ATOM 0 HD2 LYS A 125 24.225 9.421 -2.751 1.00 31.24 H new ATOM 0 HD3 LYS A 125 25.420 8.428 -3.561 1.00 31.24 H new ATOM 0 HE2 LYS A 125 23.665 7.063 -4.576 1.00 23.42 H new ATOM 0 HE3 LYS A 125 22.430 7.925 -3.679 1.00 23.42 H new ATOM 0 HZ1 LYS A 125 22.739 8.660 -6.006 1.00 1.04 H new ATOM 0 HZ2 LYS A 125 22.890 9.905 -4.862 1.00 1.04 H new ATOM 0 HZ3 LYS A 125 24.277 9.244 -5.585 1.00 1.04 H new ATOM 1858 N ALA A 126 26.145 8.438 2.182 1.00 41.35 N ATOM 1859 CA ALA A 126 27.066 9.080 3.078 1.00 34.42 C ATOM 1860 C ALA A 126 27.451 8.132 4.195 1.00 34.02 C ATOM 1861 O ALA A 126 28.641 8.040 4.581 1.00 71.02 O ATOM 1862 CB ALA A 126 26.467 10.366 3.635 1.00 54.23 C ATOM 0 H ALA A 126 25.167 8.692 2.322 1.00 41.35 H new ATOM 0 HA ALA A 126 27.967 9.345 2.525 1.00 34.42 H new ATOM 0 HB1 ALA A 126 27.181 10.837 4.311 1.00 54.23 H new ATOM 0 HB2 ALA A 126 26.241 11.047 2.815 1.00 54.23 H new ATOM 0 HB3 ALA A 126 25.550 10.135 4.178 1.00 54.23 H new ATOM 1868 N ASN A 127 26.471 7.398 4.704 1.00 50.54 N ATOM 1869 CA ASN A 127 26.749 6.478 5.798 1.00 44.10 C ATOM 1870 C ASN A 127 27.407 5.195 5.283 1.00 70.01 C ATOM 1871 O ASN A 127 28.500 4.835 5.728 1.00 42.15 O ATOM 1872 CB ASN A 127 25.488 6.139 6.600 1.00 1.14 C ATOM 1873 CG ASN A 127 25.824 5.353 7.864 1.00 45.43 C ATOM 1874 OD1 ASN A 127 26.877 5.540 8.452 1.00 64.55 O ATOM 1875 ND2 ASN A 127 24.943 4.480 8.283 1.00 21.40 N ATOM 0 H ASN A 127 25.501 7.419 4.388 1.00 50.54 H new ATOM 0 HA ASN A 127 27.443 6.986 6.468 1.00 44.10 H new ATOM 0 HB2 ASN A 127 24.969 7.059 6.869 1.00 1.14 H new ATOM 0 HB3 ASN A 127 24.806 5.558 5.979 1.00 1.14 H new ATOM 0 HD21 ASN A 127 25.127 3.933 9.124 1.00 21.40 H new ATOM 0 HD22 ASN A 127 24.072 4.347 7.769 1.00 21.40 H new ATOM 1882 N LEU A 128 26.804 4.571 4.281 1.00 72.32 N ATOM 1883 CA LEU A 128 27.342 3.336 3.714 1.00 23.42 C ATOM 1884 C LEU A 128 28.555 3.668 2.869 1.00 44.44 C ATOM 1885 O LEU A 128 28.645 4.765 2.313 1.00 71.12 O ATOM 1886 CB LEU A 128 26.284 2.523 2.896 1.00 43.42 C ATOM 1887 CG LEU A 128 25.203 1.736 3.689 1.00 14.14 C ATOM 1888 CD1 LEU A 128 24.349 2.637 4.570 1.00 10.13 C ATOM 1889 CD2 LEU A 128 24.327 0.938 2.732 1.00 4.03 C ATOM 0 H LEU A 128 25.943 4.897 3.842 1.00 72.32 H new ATOM 0 HA LEU A 128 27.632 2.686 4.540 1.00 23.42 H new ATOM 0 HB2 LEU A 128 25.772 3.216 2.229 1.00 43.42 H new ATOM 0 HB3 LEU A 128 26.821 1.813 2.267 1.00 43.42 H new ATOM 0 HG LEU A 128 25.728 1.052 4.356 1.00 14.14 H new ATOM 0 HD11 LEU A 128 23.611 2.034 5.100 1.00 10.13 H new ATOM 0 HD12 LEU A 128 24.985 3.149 5.292 1.00 10.13 H new ATOM 0 HD13 LEU A 128 23.838 3.373 3.950 1.00 10.13 H new ATOM 0 HD21 LEU A 128 23.574 0.391 3.299 1.00 4.03 H new ATOM 0 HD22 LEU A 128 23.835 1.618 2.036 1.00 4.03 H new ATOM 0 HD23 LEU A 128 24.945 0.233 2.175 1.00 4.03 H new ATOM 1901 N PRO A 129 29.540 2.790 2.800 1.00 54.41 N ATOM 1902 CA PRO A 129 30.740 3.076 2.095 1.00 30.41 C ATOM 1903 C PRO A 129 30.658 3.061 0.573 1.00 44.42 C ATOM 1904 O PRO A 129 30.890 2.048 -0.055 1.00 4.10 O ATOM 1905 CB PRO A 129 31.749 2.060 2.622 1.00 42.13 C ATOM 1906 CG PRO A 129 30.923 0.903 3.019 1.00 52.14 C ATOM 1907 CD PRO A 129 29.595 1.463 3.455 1.00 64.42 C ATOM 0 HA PRO A 129 31.020 4.113 2.281 1.00 30.41 H new ATOM 0 HB2 PRO A 129 32.476 1.787 1.857 1.00 42.13 H new ATOM 0 HB3 PRO A 129 32.310 2.458 3.468 1.00 42.13 H new ATOM 0 HG2 PRO A 129 30.799 0.210 2.187 1.00 52.14 H new ATOM 0 HG3 PRO A 129 31.396 0.347 3.829 1.00 52.14 H new ATOM 0 HD2 PRO A 129 28.769 0.826 3.139 1.00 64.42 H new ATOM 0 HD3 PRO A 129 29.534 1.549 4.540 1.00 64.42 H new ATOM 1915 N GLN A 130 30.243 4.210 0.000 1.00 25.31 N ATOM 1916 CA GLN A 130 30.537 4.477 -1.420 1.00 32.41 C ATOM 1917 C GLN A 130 31.931 5.054 -1.435 1.00 24.43 C ATOM 1918 O GLN A 130 32.528 5.349 -2.461 1.00 61.41 O ATOM 1919 CB GLN A 130 29.562 5.443 -2.097 1.00 1.24 C ATOM 1920 CG GLN A 130 29.471 6.827 -1.484 1.00 62.03 C ATOM 1921 CD GLN A 130 28.658 7.774 -2.348 1.00 61.13 C ATOM 1922 OE1 GLN A 130 27.769 7.360 -3.088 1.00 21.24 O ATOM 1923 NE2 GLN A 130 28.935 9.047 -2.250 1.00 75.51 N ATOM 0 H GLN A 130 29.721 4.944 0.480 1.00 25.31 H new ATOM 0 HA GLN A 130 30.440 3.552 -1.988 1.00 32.41 H new ATOM 0 HB2 GLN A 130 29.851 5.548 -3.143 1.00 1.24 H new ATOM 0 HB3 GLN A 130 28.569 4.995 -2.084 1.00 1.24 H new ATOM 0 HG2 GLN A 130 29.018 6.757 -0.495 1.00 62.03 H new ATOM 0 HG3 GLN A 130 30.474 7.231 -1.347 1.00 62.03 H new ATOM 0 HE21 GLN A 130 29.679 9.361 -1.627 1.00 75.51 H new ATOM 0 HE22 GLN A 130 28.407 9.727 -2.797 1.00 75.51 H new ATOM 1973 N GLY A 134 31.252 0.361 -4.218 1.00 21.23 N ATOM 1974 CA GLY A 134 29.814 0.108 -4.067 1.00 25.34 C ATOM 1975 C GLY A 134 29.216 0.734 -2.824 1.00 72.34 C ATOM 1976 O GLY A 134 29.418 1.906 -2.575 1.00 5.25 O ATOM 0 HA2 GLY A 134 29.292 0.491 -4.944 1.00 25.34 H new ATOM 0 HA3 GLY A 134 29.644 -0.968 -4.040 1.00 25.34 H new ATOM 1980 N TYR A 135 28.426 -0.045 -2.094 1.00 42.11 N ATOM 1981 CA TYR A 135 27.796 0.391 -0.847 1.00 55.22 C ATOM 1982 C TYR A 135 27.626 -0.815 0.060 1.00 62.21 C ATOM 1983 O TYR A 135 26.632 -1.532 -0.050 1.00 13.43 O ATOM 1984 CB TYR A 135 26.385 1.002 -1.076 1.00 32.10 C ATOM 1985 CG TYR A 135 26.312 2.224 -1.951 1.00 53.53 C ATOM 1986 CD1 TYR A 135 26.125 2.111 -3.323 1.00 64.21 C ATOM 1987 CD2 TYR A 135 26.412 3.485 -1.412 1.00 24.33 C ATOM 1988 CE1 TYR A 135 26.046 3.219 -4.126 1.00 62.11 C ATOM 1989 CE2 TYR A 135 26.334 4.596 -2.211 1.00 71.41 C ATOM 1990 CZ TYR A 135 26.153 4.460 -3.564 1.00 72.55 C ATOM 1991 OH TYR A 135 26.068 5.576 -4.356 1.00 75.13 O ATOM 0 H TYR A 135 28.201 -1.006 -2.351 1.00 42.11 H new ATOM 0 HA TYR A 135 28.439 1.154 -0.408 1.00 55.22 H new ATOM 0 HB2 TYR A 135 25.748 0.233 -1.512 1.00 32.10 H new ATOM 0 HB3 TYR A 135 25.961 1.254 -0.104 1.00 32.10 H new ATOM 0 HD1 TYR A 135 26.040 1.130 -3.766 1.00 64.21 H new ATOM 0 HD2 TYR A 135 26.554 3.601 -0.348 1.00 24.33 H new ATOM 0 HE1 TYR A 135 25.901 3.112 -5.191 1.00 62.11 H new ATOM 0 HE2 TYR A 135 26.415 5.580 -1.774 1.00 71.41 H new ATOM 0 HH TYR A 135 26.654 6.276 -3.999 1.00 75.13 H new ATOM 2001 N ASP A 136 28.606 -1.091 0.874 1.00 11.12 N ATOM 2002 CA ASP A 136 28.511 -2.209 1.831 1.00 0.41 C ATOM 2003 C ASP A 136 27.342 -2.021 2.796 1.00 14.42 C ATOM 2004 O ASP A 136 27.329 -1.086 3.612 1.00 13.02 O ATOM 2005 CB ASP A 136 29.821 -2.393 2.607 1.00 50.41 C ATOM 2006 CG ASP A 136 29.653 -3.271 3.824 1.00 74.12 C ATOM 2007 OD1 ASP A 136 29.093 -4.362 3.702 1.00 33.15 O ATOM 2008 OD2 ASP A 136 30.010 -2.822 4.941 1.00 51.34 O ATOM 0 H ASP A 136 29.484 -0.573 0.911 1.00 11.12 H new ATOM 0 HA ASP A 136 28.329 -3.113 1.250 1.00 0.41 H new ATOM 0 HB2 ASP A 136 30.572 -2.830 1.948 1.00 50.41 H new ATOM 0 HB3 ASP A 136 30.197 -1.418 2.916 1.00 50.41 H new ATOM 2013 N TYR A 137 26.357 -2.914 2.732 1.00 62.34 N ATOM 2014 CA TYR A 137 25.192 -2.768 3.591 1.00 3.41 C ATOM 2015 C TYR A 137 25.523 -3.175 5.002 1.00 23.12 C ATOM 2016 O TYR A 137 24.788 -2.860 5.947 1.00 65.50 O ATOM 2017 CB TYR A 137 23.922 -3.490 3.078 1.00 53.43 C ATOM 2018 CG TYR A 137 23.977 -5.006 3.020 1.00 3.44 C ATOM 2019 CD1 TYR A 137 23.948 -5.784 4.183 1.00 41.24 C ATOM 2020 CD2 TYR A 137 24.023 -5.654 1.813 1.00 54.52 C ATOM 2021 CE1 TYR A 137 23.972 -7.157 4.123 1.00 31.21 C ATOM 2022 CE2 TYR A 137 24.047 -7.020 1.745 1.00 55.34 C ATOM 2023 CZ TYR A 137 24.023 -7.773 2.894 1.00 14.45 C ATOM 2024 OH TYR A 137 24.041 -9.145 2.805 1.00 42.43 O ATOM 0 H TYR A 137 26.343 -3.724 2.112 1.00 62.34 H new ATOM 0 HA TYR A 137 24.938 -1.708 3.571 1.00 3.41 H new ATOM 0 HB2 TYR A 137 23.086 -3.204 3.717 1.00 53.43 H new ATOM 0 HB3 TYR A 137 23.700 -3.119 2.077 1.00 53.43 H new ATOM 0 HD1 TYR A 137 23.906 -5.296 5.146 1.00 41.24 H new ATOM 0 HD2 TYR A 137 24.041 -5.076 0.901 1.00 54.52 H new ATOM 0 HE1 TYR A 137 23.951 -7.745 5.029 1.00 31.21 H new ATOM 0 HE2 TYR A 137 24.085 -7.509 0.783 1.00 55.34 H new ATOM 0 HH TYR A 137 24.459 -9.413 1.960 1.00 42.43 H new ATOM 2034 N ALA A 138 26.664 -3.834 5.166 1.00 45.21 N ATOM 2035 CA ALA A 138 27.116 -4.216 6.460 1.00 23.53 C ATOM 2036 C ALA A 138 27.672 -2.992 7.187 1.00 34.54 C ATOM 2037 O ALA A 138 28.159 -3.096 8.310 1.00 3.43 O ATOM 2038 CB ALA A 138 28.127 -5.362 6.395 1.00 63.13 C ATOM 0 H ALA A 138 27.282 -4.107 4.402 1.00 45.21 H new ATOM 0 HA ALA A 138 26.270 -4.599 7.030 1.00 23.53 H new ATOM 0 HB1 ALA A 138 28.447 -5.623 7.404 1.00 63.13 H new ATOM 0 HB2 ALA A 138 27.664 -6.230 5.925 1.00 63.13 H new ATOM 0 HB3 ALA A 138 28.992 -5.051 5.809 1.00 63.13 H new ATOM 2044 N ALA A 139 27.609 -1.818 6.528 1.00 4.41 N ATOM 2045 CA ALA A 139 27.904 -0.548 7.170 1.00 63.43 C ATOM 2046 C ALA A 139 27.009 -0.384 8.362 1.00 32.32 C ATOM 2047 O ALA A 139 27.442 -0.056 9.419 1.00 35.43 O ATOM 2048 CB ALA A 139 27.652 0.598 6.226 1.00 33.54 C ATOM 0 H ALA A 139 27.353 -1.737 5.544 1.00 4.41 H new ATOM 0 HA ALA A 139 28.953 -0.544 7.467 1.00 63.43 H new ATOM 0 HB1 ALA A 139 27.879 1.539 6.727 1.00 33.54 H new ATOM 0 HB2 ALA A 139 28.288 0.492 5.347 1.00 33.54 H new ATOM 0 HB3 ALA A 139 26.606 0.594 5.919 1.00 33.54 H new ATOM 2054 N TRP A 140 25.751 -0.716 8.175 1.00 51.01 N ATOM 2055 CA TRP A 140 24.748 -0.612 9.221 1.00 51.11 C ATOM 2056 C TRP A 140 25.078 -1.567 10.394 1.00 32.13 C ATOM 2057 O TRP A 140 24.731 -1.315 11.536 1.00 63.23 O ATOM 2058 CB TRP A 140 23.367 -0.904 8.599 1.00 32.32 C ATOM 2059 CG TRP A 140 22.221 -0.954 9.566 1.00 44.22 C ATOM 2060 CD1 TRP A 140 21.603 0.105 10.162 1.00 74.03 C ATOM 2061 CD2 TRP A 140 21.542 -2.129 10.030 1.00 15.23 C ATOM 2062 NE1 TRP A 140 20.592 -0.339 10.977 1.00 41.35 N ATOM 2063 CE2 TRP A 140 20.533 -1.705 10.912 1.00 74.41 C ATOM 2064 CE3 TRP A 140 21.694 -3.498 9.786 1.00 23.23 C ATOM 2065 CZ2 TRP A 140 19.676 -2.599 11.551 1.00 5.35 C ATOM 2066 CZ3 TRP A 140 20.845 -4.384 10.421 1.00 62.13 C ATOM 2067 CH2 TRP A 140 19.847 -3.932 11.293 1.00 42.43 C ATOM 0 H TRP A 140 25.389 -1.068 7.289 1.00 51.01 H new ATOM 0 HA TRP A 140 24.739 0.394 9.640 1.00 51.11 H new ATOM 0 HB2 TRP A 140 23.156 -0.140 7.851 1.00 32.32 H new ATOM 0 HB3 TRP A 140 23.419 -1.858 8.074 1.00 32.32 H new ATOM 0 HD1 TRP A 140 21.870 1.141 10.014 1.00 74.03 H new ATOM 0 HE1 TRP A 140 19.983 0.254 11.541 1.00 41.35 H new ATOM 0 HE3 TRP A 140 22.460 -3.856 9.114 1.00 23.23 H new ATOM 0 HZ2 TRP A 140 18.906 -2.253 12.224 1.00 5.35 H new ATOM 0 HZ3 TRP A 140 20.953 -5.444 10.242 1.00 62.13 H new ATOM 0 HH2 TRP A 140 19.199 -4.651 11.772 1.00 42.43 H new