USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 Single : A 1 PHE N :NH3+ 143:sc= 0.337 (180deg=0.012) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= -0.514 (180deg=-2.52!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 87:sc= 0.331 USER MOD Single : A 38 SER OG : rot 82:sc= 1.18 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.0256 (180deg=-0.161) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -4.467 -36.094 8.832 1.00 11.00 N ATOM 2 CA PHE A 1 -3.982 -35.150 7.779 1.00 24.22 C ATOM 3 C PHE A 1 -3.986 -35.840 6.398 1.00 0.02 C ATOM 4 O PHE A 1 -3.503 -36.971 6.278 1.00 10.13 O ATOM 5 CB PHE A 1 -2.547 -34.649 8.113 1.00 12.34 C ATOM 6 CG PHE A 1 -2.427 -33.908 9.451 1.00 22.51 C ATOM 7 CD1 PHE A 1 -2.656 -32.535 9.536 1.00 32.34 C ATOM 8 CD2 PHE A 1 -2.077 -34.587 10.626 1.00 32.45 C ATOM 9 CE1 PHE A 1 -2.541 -31.866 10.742 1.00 50.15 C ATOM 10 CE2 PHE A 1 -1.964 -33.917 11.832 1.00 55.42 C ATOM 11 CZ PHE A 1 -2.194 -32.556 11.889 1.00 60.50 C ATOM 0 H1 PHE A 1 -3.930 -35.941 9.709 1.00 11.00 H new ATOM 0 H2 PHE A 1 -5.478 -35.925 9.011 1.00 11.00 H new ATOM 0 H3 PHE A 1 -4.331 -37.073 8.510 1.00 11.00 H new ATOM 0 HA PHE A 1 -4.656 -34.294 7.751 1.00 24.22 H new ATOM 0 HB2 PHE A 1 -1.871 -35.504 8.124 1.00 12.34 H new ATOM 0 HB3 PHE A 1 -2.212 -33.987 7.314 1.00 12.34 H new ATOM 0 HD1 PHE A 1 -2.927 -31.985 8.647 1.00 32.34 H new ATOM 0 HD2 PHE A 1 -1.892 -35.650 10.590 1.00 32.45 H new ATOM 0 HE1 PHE A 1 -2.723 -30.802 10.787 1.00 50.15 H new ATOM 0 HE2 PHE A 1 -1.696 -34.458 12.728 1.00 55.42 H new ATOM 0 HZ PHE A 1 -2.103 -32.031 12.829 1.00 60.50 H new ATOM 23 N THR A 2 -4.528 -35.169 5.362 1.00 31.51 N ATOM 24 CA THR A 2 -4.511 -35.678 3.972 1.00 14.11 C ATOM 25 C THR A 2 -3.713 -34.730 3.071 1.00 44.14 C ATOM 26 O THR A 2 -3.864 -33.507 3.166 1.00 74.02 O ATOM 27 CB THR A 2 -5.957 -35.894 3.399 1.00 63.42 C ATOM 28 OG1 THR A 2 -5.890 -36.200 1.993 1.00 54.34 O ATOM 29 CG2 THR A 2 -6.868 -34.680 3.623 1.00 42.53 C ATOM 0 H THR A 2 -4.988 -34.264 5.462 1.00 31.51 H new ATOM 0 HA THR A 2 -4.025 -36.653 3.989 1.00 14.11 H new ATOM 0 HB THR A 2 -6.394 -36.732 3.943 1.00 63.42 H new ATOM 0 HG1 THR A 2 -6.796 -36.335 1.644 1.00 54.34 H new ATOM 0 HG21 THR A 2 -7.855 -34.884 3.207 1.00 42.53 H new ATOM 0 HG22 THR A 2 -6.958 -34.485 4.692 1.00 42.53 H new ATOM 0 HG23 THR A 2 -6.440 -33.808 3.129 1.00 42.53 H new ATOM 37 N LEU A 3 -2.884 -35.321 2.183 1.00 11.10 N ATOM 38 CA LEU A 3 -2.015 -34.581 1.237 1.00 35.44 C ATOM 39 C LEU A 3 -2.814 -33.602 0.359 1.00 35.40 C ATOM 40 O LEU A 3 -2.275 -32.609 -0.115 1.00 52.05 O ATOM 41 CB LEU A 3 -1.252 -35.585 0.339 1.00 73.34 C ATOM 42 CG LEU A 3 -0.374 -36.631 1.088 1.00 21.24 C ATOM 43 CD1 LEU A 3 0.309 -37.593 0.095 1.00 43.54 C ATOM 44 CD2 LEU A 3 0.662 -35.939 1.999 1.00 63.25 C ATOM 0 H LEU A 3 -2.797 -36.334 2.101 1.00 11.10 H new ATOM 0 HA LEU A 3 -1.311 -33.993 1.826 1.00 35.44 H new ATOM 0 HB2 LEU A 3 -1.978 -36.120 -0.274 1.00 73.34 H new ATOM 0 HB3 LEU A 3 -0.613 -35.022 -0.341 1.00 73.34 H new ATOM 0 HG LEU A 3 -1.031 -37.223 1.726 1.00 21.24 H new ATOM 0 HD11 LEU A 3 0.916 -38.313 0.645 1.00 43.54 H new ATOM 0 HD12 LEU A 3 -0.451 -38.123 -0.480 1.00 43.54 H new ATOM 0 HD13 LEU A 3 0.946 -37.024 -0.583 1.00 43.54 H new ATOM 0 HD21 LEU A 3 1.260 -36.694 2.509 1.00 63.25 H new ATOM 0 HD22 LEU A 3 1.313 -35.307 1.395 1.00 63.25 H new ATOM 0 HD23 LEU A 3 0.145 -35.326 2.738 1.00 63.25 H new ATOM 56 N ILE A 4 -4.111 -33.914 0.177 1.00 20.31 N ATOM 57 CA ILE A 4 -5.043 -33.085 -0.609 1.00 13.03 C ATOM 58 C ILE A 4 -5.247 -31.709 0.057 1.00 62.35 C ATOM 59 O ILE A 4 -4.917 -30.679 -0.534 1.00 51.12 O ATOM 60 CB ILE A 4 -6.432 -33.815 -0.797 1.00 52.24 C ATOM 61 CG1 ILE A 4 -6.236 -35.178 -1.538 1.00 51.41 C ATOM 62 CG2 ILE A 4 -7.464 -32.917 -1.539 1.00 4.04 C ATOM 63 CD1 ILE A 4 -5.597 -35.062 -2.915 1.00 21.41 C ATOM 0 H ILE A 4 -4.542 -34.750 0.572 1.00 20.31 H new ATOM 0 HA ILE A 4 -4.602 -32.931 -1.594 1.00 13.03 H new ATOM 0 HB ILE A 4 -6.839 -34.014 0.194 1.00 52.24 H new ATOM 0 HG12 ILE A 4 -5.618 -35.828 -0.918 1.00 51.41 H new ATOM 0 HG13 ILE A 4 -7.206 -35.664 -1.641 1.00 51.41 H new ATOM 0 HG21 ILE A 4 -8.405 -33.457 -1.647 1.00 4.04 H new ATOM 0 HG22 ILE A 4 -7.633 -32.006 -0.965 1.00 4.04 H new ATOM 0 HG23 ILE A 4 -7.079 -32.658 -2.525 1.00 4.04 H new ATOM 0 HD11 ILE A 4 -5.499 -36.054 -3.356 1.00 21.41 H new ATOM 0 HD12 ILE A 4 -6.223 -34.441 -3.555 1.00 21.41 H new ATOM 0 HD13 ILE A 4 -4.611 -34.608 -2.821 1.00 21.41 H new ATOM 75 N GLU A 5 -5.721 -31.716 1.319 1.00 13.05 N ATOM 76 CA GLU A 5 -6.040 -30.474 2.054 1.00 60.11 C ATOM 77 C GLU A 5 -4.775 -29.658 2.380 1.00 41.44 C ATOM 78 O GLU A 5 -4.791 -28.434 2.284 1.00 4.52 O ATOM 79 CB GLU A 5 -6.863 -30.771 3.338 1.00 14.12 C ATOM 80 CG GLU A 5 -8.233 -31.447 3.082 1.00 12.11 C ATOM 81 CD GLU A 5 -9.131 -30.695 2.078 1.00 4.31 C ATOM 82 OE1 GLU A 5 -9.835 -29.745 2.480 1.00 35.34 O ATOM 83 OE2 GLU A 5 -9.147 -31.060 0.882 1.00 42.32 O ATOM 0 H GLU A 5 -5.892 -32.569 1.852 1.00 13.05 H new ATOM 0 HA GLU A 5 -6.658 -29.863 1.396 1.00 60.11 H new ATOM 0 HB2 GLU A 5 -6.273 -31.412 3.992 1.00 14.12 H new ATOM 0 HB3 GLU A 5 -7.028 -29.836 3.873 1.00 14.12 H new ATOM 0 HG2 GLU A 5 -8.063 -32.459 2.714 1.00 12.11 H new ATOM 0 HG3 GLU A 5 -8.764 -31.538 4.030 1.00 12.11 H new ATOM 90 N LEU A 6 -3.679 -30.359 2.720 1.00 63.21 N ATOM 91 CA LEU A 6 -2.361 -29.728 2.984 1.00 25.30 C ATOM 92 C LEU A 6 -1.805 -29.005 1.735 1.00 42.13 C ATOM 93 O LEU A 6 -1.260 -27.902 1.846 1.00 3.13 O ATOM 94 CB LEU A 6 -1.353 -30.796 3.483 1.00 0.02 C ATOM 95 CG LEU A 6 -1.782 -31.602 4.752 1.00 14.10 C ATOM 96 CD1 LEU A 6 -0.771 -32.724 5.081 1.00 45.31 C ATOM 97 CD2 LEU A 6 -2.010 -30.680 5.977 1.00 25.41 C ATOM 0 H LEU A 6 -3.675 -31.374 2.821 1.00 63.21 H new ATOM 0 HA LEU A 6 -2.503 -28.974 3.758 1.00 25.30 H new ATOM 0 HB2 LEU A 6 -1.171 -31.502 2.673 1.00 0.02 H new ATOM 0 HB3 LEU A 6 -0.405 -30.302 3.694 1.00 0.02 H new ATOM 0 HG LEU A 6 -2.737 -32.072 4.518 1.00 14.10 H new ATOM 0 HD11 LEU A 6 -1.102 -33.263 5.969 1.00 45.31 H new ATOM 0 HD12 LEU A 6 -0.707 -33.415 4.240 1.00 45.31 H new ATOM 0 HD13 LEU A 6 0.210 -32.287 5.266 1.00 45.31 H new ATOM 0 HD21 LEU A 6 -2.307 -31.282 6.836 1.00 25.41 H new ATOM 0 HD22 LEU A 6 -1.087 -30.148 6.208 1.00 25.41 H new ATOM 0 HD23 LEU A 6 -2.797 -29.961 5.750 1.00 25.41 H new ATOM 109 N LEU A 7 -1.953 -29.640 0.559 1.00 34.34 N ATOM 110 CA LEU A 7 -1.514 -29.070 -0.729 1.00 14.43 C ATOM 111 C LEU A 7 -2.336 -27.814 -1.113 1.00 21.22 C ATOM 112 O LEU A 7 -1.778 -26.852 -1.640 1.00 55.42 O ATOM 113 CB LEU A 7 -1.624 -30.144 -1.838 1.00 3.01 C ATOM 114 CG LEU A 7 -1.051 -29.768 -3.242 1.00 1.12 C ATOM 115 CD1 LEU A 7 0.454 -29.428 -3.160 1.00 52.21 C ATOM 116 CD2 LEU A 7 -1.312 -30.900 -4.265 1.00 62.11 C ATOM 0 H LEU A 7 -2.380 -30.562 0.474 1.00 34.34 H new ATOM 0 HA LEU A 7 -0.475 -28.758 -0.623 1.00 14.43 H new ATOM 0 HB2 LEU A 7 -1.113 -31.043 -1.492 1.00 3.01 H new ATOM 0 HB3 LEU A 7 -2.676 -30.402 -1.958 1.00 3.01 H new ATOM 0 HG LEU A 7 -1.572 -28.875 -3.587 1.00 1.12 H new ATOM 0 HD11 LEU A 7 0.823 -29.171 -4.153 1.00 52.21 H new ATOM 0 HD12 LEU A 7 0.600 -28.582 -2.488 1.00 52.21 H new ATOM 0 HD13 LEU A 7 1.002 -30.291 -2.781 1.00 52.21 H new ATOM 0 HD21 LEU A 7 -0.904 -30.615 -5.235 1.00 62.11 H new ATOM 0 HD22 LEU A 7 -0.831 -31.817 -3.924 1.00 62.11 H new ATOM 0 HD23 LEU A 7 -2.385 -31.066 -4.358 1.00 62.11 H new ATOM 128 N ILE A 8 -3.660 -27.837 -0.854 1.00 54.11 N ATOM 129 CA ILE A 8 -4.542 -26.689 -1.108 1.00 61.23 C ATOM 130 C ILE A 8 -4.231 -25.505 -0.161 1.00 45.20 C ATOM 131 O ILE A 8 -4.178 -24.367 -0.608 1.00 62.12 O ATOM 132 CB ILE A 8 -6.040 -27.125 -0.970 1.00 32.21 C ATOM 133 CG1 ILE A 8 -6.392 -28.252 -1.995 1.00 75.01 C ATOM 134 CG2 ILE A 8 -6.990 -25.921 -1.134 1.00 32.15 C ATOM 135 CD1 ILE A 8 -7.722 -28.939 -1.748 1.00 34.04 C ATOM 0 H ILE A 8 -4.141 -28.648 -0.466 1.00 54.11 H new ATOM 0 HA ILE A 8 -4.361 -26.345 -2.126 1.00 61.23 H new ATOM 0 HB ILE A 8 -6.176 -27.525 0.035 1.00 32.21 H new ATOM 0 HG12 ILE A 8 -6.400 -27.824 -2.997 1.00 75.01 H new ATOM 0 HG13 ILE A 8 -5.602 -29.002 -1.976 1.00 75.01 H new ATOM 0 HG21 ILE A 8 -8.022 -26.256 -1.033 1.00 32.15 H new ATOM 0 HG22 ILE A 8 -6.773 -25.179 -0.366 1.00 32.15 H new ATOM 0 HG23 ILE A 8 -6.847 -25.477 -2.119 1.00 32.15 H new ATOM 0 HD11 ILE A 8 -7.882 -29.705 -2.507 1.00 34.04 H new ATOM 0 HD12 ILE A 8 -7.715 -29.402 -0.761 1.00 34.04 H new ATOM 0 HD13 ILE A 8 -8.526 -28.205 -1.799 1.00 34.04 H new ATOM 147 N VAL A 9 -4.028 -25.795 1.143 1.00 54.40 N ATOM 148 CA VAL A 9 -3.661 -24.780 2.147 1.00 55.41 C ATOM 149 C VAL A 9 -2.317 -24.089 1.801 1.00 2.11 C ATOM 150 O VAL A 9 -2.236 -22.854 1.814 1.00 20.03 O ATOM 151 CB VAL A 9 -3.626 -25.421 3.595 1.00 52.33 C ATOM 152 CG1 VAL A 9 -2.993 -24.479 4.636 1.00 34.25 C ATOM 153 CG2 VAL A 9 -5.052 -25.835 4.040 1.00 33.11 C ATOM 0 H VAL A 9 -4.114 -26.737 1.525 1.00 54.40 H new ATOM 0 HA VAL A 9 -4.427 -24.005 2.135 1.00 55.41 H new ATOM 0 HB VAL A 9 -2.997 -26.309 3.537 1.00 52.33 H new ATOM 0 HG11 VAL A 9 -2.992 -24.964 5.612 1.00 34.25 H new ATOM 0 HG12 VAL A 9 -1.968 -24.250 4.344 1.00 34.25 H new ATOM 0 HG13 VAL A 9 -3.570 -23.556 4.690 1.00 34.25 H new ATOM 0 HG21 VAL A 9 -5.009 -26.274 5.037 1.00 33.11 H new ATOM 0 HG22 VAL A 9 -5.697 -24.957 4.057 1.00 33.11 H new ATOM 0 HG23 VAL A 9 -5.454 -26.566 3.339 1.00 33.11 H new ATOM 163 N VAL A 10 -1.279 -24.879 1.466 1.00 63.11 N ATOM 164 CA VAL A 10 0.033 -24.329 1.077 1.00 12.33 C ATOM 165 C VAL A 10 -0.045 -23.558 -0.278 1.00 41.43 C ATOM 166 O VAL A 10 0.708 -22.597 -0.499 1.00 61.14 O ATOM 167 CB VAL A 10 1.136 -25.465 1.030 1.00 51.44 C ATOM 168 CG1 VAL A 10 1.071 -26.333 -0.248 1.00 2.05 C ATOM 169 CG2 VAL A 10 2.539 -24.873 1.241 1.00 41.32 C ATOM 0 H VAL A 10 -1.324 -25.898 1.457 1.00 63.11 H new ATOM 0 HA VAL A 10 0.326 -23.610 1.842 1.00 12.33 H new ATOM 0 HB VAL A 10 0.918 -26.142 1.856 1.00 51.44 H new ATOM 0 HG11 VAL A 10 1.854 -27.090 -0.214 1.00 2.05 H new ATOM 0 HG12 VAL A 10 0.098 -26.820 -0.308 1.00 2.05 H new ATOM 0 HG13 VAL A 10 1.215 -25.701 -1.125 1.00 2.05 H new ATOM 0 HG21 VAL A 10 3.280 -25.672 1.205 1.00 41.32 H new ATOM 0 HG22 VAL A 10 2.749 -24.147 0.456 1.00 41.32 H new ATOM 0 HG23 VAL A 10 2.584 -24.380 2.212 1.00 41.32 H new ATOM 179 N ALA A 11 -0.988 -23.975 -1.166 1.00 4.51 N ATOM 180 CA ALA A 11 -1.206 -23.324 -2.480 1.00 62.45 C ATOM 181 C ALA A 11 -1.873 -21.939 -2.333 1.00 23.25 C ATOM 182 O ALA A 11 -1.358 -20.945 -2.863 1.00 41.04 O ATOM 183 CB ALA A 11 -2.049 -24.230 -3.399 1.00 24.54 C ATOM 0 H ALA A 11 -1.610 -24.764 -0.991 1.00 4.51 H new ATOM 0 HA ALA A 11 -0.227 -23.171 -2.934 1.00 62.45 H new ATOM 0 HB1 ALA A 11 -2.199 -23.736 -4.359 1.00 24.54 H new ATOM 0 HB2 ALA A 11 -1.529 -25.175 -3.555 1.00 24.54 H new ATOM 0 HB3 ALA A 11 -3.016 -24.421 -2.934 1.00 24.54 H new ATOM 189 N ILE A 12 -3.007 -21.881 -1.590 1.00 71.43 N ATOM 190 CA ILE A 12 -3.807 -20.649 -1.432 1.00 5.33 C ATOM 191 C ILE A 12 -3.012 -19.557 -0.685 1.00 41.23 C ATOM 192 O ILE A 12 -2.951 -18.430 -1.155 1.00 41.05 O ATOM 193 CB ILE A 12 -5.201 -20.926 -0.733 1.00 3.34 C ATOM 194 CG1 ILE A 12 -5.028 -21.512 0.709 1.00 31.03 C ATOM 195 CG2 ILE A 12 -6.076 -21.853 -1.621 1.00 53.20 C ATOM 196 CD1 ILE A 12 -6.321 -21.821 1.442 1.00 0.54 C ATOM 0 H ILE A 12 -3.387 -22.684 -1.088 1.00 71.43 H new ATOM 0 HA ILE A 12 -4.023 -20.280 -2.435 1.00 5.33 H new ATOM 0 HB ILE A 12 -5.714 -19.971 -0.622 1.00 3.34 H new ATOM 0 HG12 ILE A 12 -4.439 -22.427 0.644 1.00 31.03 H new ATOM 0 HG13 ILE A 12 -4.452 -20.804 1.305 1.00 31.03 H new ATOM 0 HG21 ILE A 12 -7.031 -22.034 -1.127 1.00 53.20 H new ATOM 0 HG22 ILE A 12 -6.251 -21.375 -2.585 1.00 53.20 H new ATOM 0 HG23 ILE A 12 -5.561 -22.801 -1.775 1.00 53.20 H new ATOM 0 HD11 ILE A 12 -6.093 -22.222 2.430 1.00 0.54 H new ATOM 0 HD12 ILE A 12 -6.907 -20.908 1.547 1.00 0.54 H new ATOM 0 HD13 ILE A 12 -6.893 -22.556 0.876 1.00 0.54 H new ATOM 208 N ILE A 13 -2.345 -19.929 0.439 1.00 75.20 N ATOM 209 CA ILE A 13 -1.481 -19.020 1.218 1.00 33.11 C ATOM 210 C ILE A 13 -0.252 -18.578 0.377 1.00 41.32 C ATOM 211 O ILE A 13 0.274 -17.467 0.558 1.00 12.14 O ATOM 212 CB ILE A 13 -1.040 -19.724 2.563 1.00 63.35 C ATOM 213 CG1 ILE A 13 -2.295 -20.027 3.453 1.00 2.52 C ATOM 214 CG2 ILE A 13 0.003 -18.890 3.345 1.00 10.22 C ATOM 215 CD1 ILE A 13 -2.002 -20.780 4.741 1.00 41.20 C ATOM 0 H ILE A 13 -2.395 -20.871 0.826 1.00 75.20 H new ATOM 0 HA ILE A 13 -2.043 -18.121 1.471 1.00 33.11 H new ATOM 0 HB ILE A 13 -0.558 -20.665 2.299 1.00 63.35 H new ATOM 0 HG12 ILE A 13 -2.780 -19.084 3.704 1.00 2.52 H new ATOM 0 HG13 ILE A 13 -3.007 -20.606 2.865 1.00 2.52 H new ATOM 0 HG21 ILE A 13 0.275 -19.414 4.261 1.00 10.22 H new ATOM 0 HG22 ILE A 13 0.892 -18.749 2.730 1.00 10.22 H new ATOM 0 HG23 ILE A 13 -0.422 -17.918 3.596 1.00 10.22 H new ATOM 0 HD11 ILE A 13 -2.931 -20.942 5.287 1.00 41.20 H new ATOM 0 HD12 ILE A 13 -1.547 -21.742 4.505 1.00 41.20 H new ATOM 0 HD13 ILE A 13 -1.317 -20.196 5.356 1.00 41.20 H new ATOM 227 N GLY A 14 0.178 -19.461 -0.555 1.00 44.32 N ATOM 228 CA GLY A 14 1.221 -19.132 -1.536 1.00 22.11 C ATOM 229 C GLY A 14 0.828 -17.966 -2.456 1.00 14.12 C ATOM 230 O GLY A 14 1.661 -17.101 -2.761 1.00 31.40 O ATOM 0 H GLY A 14 -0.188 -20.409 -0.642 1.00 44.32 H new ATOM 0 HA2 GLY A 14 2.141 -18.879 -1.010 1.00 22.11 H new ATOM 0 HA3 GLY A 14 1.433 -20.012 -2.143 1.00 22.11 H new ATOM 234 N ILE A 15 -0.459 -17.942 -2.874 1.00 44.42 N ATOM 235 CA ILE A 15 -1.030 -16.860 -3.702 1.00 12.31 C ATOM 236 C ILE A 15 -1.235 -15.584 -2.868 1.00 72.24 C ATOM 237 O ILE A 15 -0.879 -14.500 -3.311 1.00 50.33 O ATOM 238 CB ILE A 15 -2.406 -17.318 -4.311 1.00 62.14 C ATOM 239 CG1 ILE A 15 -2.238 -18.668 -5.090 1.00 11.54 C ATOM 240 CG2 ILE A 15 -3.031 -16.223 -5.220 1.00 12.52 C ATOM 241 CD1 ILE A 15 -3.490 -19.513 -5.138 1.00 62.30 C ATOM 0 H ILE A 15 -1.130 -18.675 -2.645 1.00 44.42 H new ATOM 0 HA ILE A 15 -0.330 -16.641 -4.508 1.00 12.31 H new ATOM 0 HB ILE A 15 -3.097 -17.478 -3.483 1.00 62.14 H new ATOM 0 HG12 ILE A 15 -1.921 -18.450 -6.110 1.00 11.54 H new ATOM 0 HG13 ILE A 15 -1.440 -19.246 -4.625 1.00 11.54 H new ATOM 0 HG21 ILE A 15 -3.980 -16.580 -5.620 1.00 12.52 H new ATOM 0 HG22 ILE A 15 -3.201 -15.319 -4.636 1.00 12.52 H new ATOM 0 HG23 ILE A 15 -2.351 -16.001 -6.043 1.00 12.52 H new ATOM 0 HD11 ILE A 15 -3.290 -20.429 -5.694 1.00 62.30 H new ATOM 0 HD12 ILE A 15 -3.798 -19.765 -4.123 1.00 62.30 H new ATOM 0 HD13 ILE A 15 -4.286 -18.956 -5.631 1.00 62.30 H new ATOM 253 N LEU A 16 -1.795 -15.748 -1.643 1.00 31.34 N ATOM 254 CA LEU A 16 -2.116 -14.619 -0.733 1.00 71.02 C ATOM 255 C LEU A 16 -0.857 -13.804 -0.390 1.00 21.01 C ATOM 256 O LEU A 16 -0.917 -12.588 -0.275 1.00 55.22 O ATOM 257 CB LEU A 16 -2.792 -15.112 0.583 1.00 74.33 C ATOM 258 CG LEU A 16 -4.056 -16.025 0.434 1.00 13.30 C ATOM 259 CD1 LEU A 16 -4.778 -16.247 1.784 1.00 2.35 C ATOM 260 CD2 LEU A 16 -5.024 -15.515 -0.659 1.00 75.03 C ATOM 0 H LEU A 16 -2.036 -16.662 -1.260 1.00 31.34 H new ATOM 0 HA LEU A 16 -2.820 -13.979 -1.265 1.00 71.02 H new ATOM 0 HB2 LEU A 16 -2.047 -15.657 1.163 1.00 74.33 H new ATOM 0 HB3 LEU A 16 -3.074 -14.236 1.168 1.00 74.33 H new ATOM 0 HG LEU A 16 -3.694 -16.999 0.104 1.00 13.30 H new ATOM 0 HD11 LEU A 16 -5.648 -16.886 1.631 1.00 2.35 H new ATOM 0 HD12 LEU A 16 -4.096 -16.725 2.487 1.00 2.35 H new ATOM 0 HD13 LEU A 16 -5.100 -15.287 2.187 1.00 2.35 H new ATOM 0 HD21 LEU A 16 -5.884 -16.182 -0.723 1.00 75.03 H new ATOM 0 HD22 LEU A 16 -5.362 -14.510 -0.406 1.00 75.03 H new ATOM 0 HD23 LEU A 16 -4.509 -15.493 -1.620 1.00 75.03 H new ATOM 272 N ALA A 17 0.278 -14.503 -0.238 1.00 43.54 N ATOM 273 CA ALA A 17 1.591 -13.870 -0.025 1.00 72.41 C ATOM 274 C ALA A 17 2.064 -13.168 -1.321 1.00 63.23 C ATOM 275 O ALA A 17 2.326 -11.962 -1.337 1.00 31.35 O ATOM 276 CB ALA A 17 2.607 -14.927 0.433 1.00 74.23 C ATOM 0 H ALA A 17 0.313 -15.522 -0.259 1.00 43.54 H new ATOM 0 HA ALA A 17 1.505 -13.113 0.754 1.00 72.41 H new ATOM 0 HB1 ALA A 17 3.577 -14.455 0.590 1.00 74.23 H new ATOM 0 HB2 ALA A 17 2.268 -15.378 1.366 1.00 74.23 H new ATOM 0 HB3 ALA A 17 2.698 -15.699 -0.331 1.00 74.23 H new ATOM 282 N ALA A 18 2.092 -13.944 -2.411 1.00 51.34 N ATOM 283 CA ALA A 18 2.560 -13.501 -3.743 1.00 33.35 C ATOM 284 C ALA A 18 1.790 -12.281 -4.310 1.00 14.24 C ATOM 285 O ALA A 18 2.296 -11.599 -5.208 1.00 44.41 O ATOM 286 CB ALA A 18 2.501 -14.682 -4.731 1.00 4.23 C ATOM 0 H ALA A 18 1.786 -14.917 -2.399 1.00 51.34 H new ATOM 0 HA ALA A 18 3.589 -13.164 -3.614 1.00 33.35 H new ATOM 0 HB1 ALA A 18 2.846 -14.354 -5.711 1.00 4.23 H new ATOM 0 HB2 ALA A 18 3.141 -15.489 -4.373 1.00 4.23 H new ATOM 0 HB3 ALA A 18 1.475 -15.040 -4.809 1.00 4.23 H new ATOM 292 N ILE A 19 0.561 -12.029 -3.814 1.00 63.54 N ATOM 293 CA ILE A 19 -0.216 -10.825 -4.185 1.00 15.01 C ATOM 294 C ILE A 19 -0.082 -9.697 -3.140 1.00 33.33 C ATOM 295 O ILE A 19 -0.012 -8.534 -3.511 1.00 20.44 O ATOM 296 CB ILE A 19 -1.726 -11.157 -4.506 1.00 63.32 C ATOM 297 CG1 ILE A 19 -2.507 -11.780 -3.296 1.00 35.03 C ATOM 298 CG2 ILE A 19 -1.825 -12.064 -5.758 1.00 41.01 C ATOM 299 CD1 ILE A 19 -3.149 -10.765 -2.373 1.00 73.00 C ATOM 0 H ILE A 19 0.084 -12.643 -3.155 1.00 63.54 H new ATOM 0 HA ILE A 19 0.224 -10.451 -5.110 1.00 15.01 H new ATOM 0 HB ILE A 19 -2.213 -10.204 -4.711 1.00 63.32 H new ATOM 0 HG12 ILE A 19 -3.282 -12.442 -3.682 1.00 35.03 H new ATOM 0 HG13 ILE A 19 -1.821 -12.397 -2.716 1.00 35.03 H new ATOM 0 HG21 ILE A 19 -2.872 -12.284 -5.966 1.00 41.01 H new ATOM 0 HG22 ILE A 19 -1.385 -11.552 -6.614 1.00 41.01 H new ATOM 0 HG23 ILE A 19 -1.288 -12.995 -5.576 1.00 41.01 H new ATOM 0 HD11 ILE A 19 -3.667 -11.283 -1.566 1.00 73.00 H new ATOM 0 HD12 ILE A 19 -2.380 -10.117 -1.953 1.00 73.00 H new ATOM 0 HD13 ILE A 19 -3.863 -10.163 -2.935 1.00 73.00 H new ATOM 311 N ALA A 20 -0.007 -10.051 -1.846 1.00 62.11 N ATOM 312 CA ALA A 20 -0.039 -9.059 -0.735 1.00 44.43 C ATOM 313 C ALA A 20 1.230 -8.203 -0.672 1.00 74.01 C ATOM 314 O ALA A 20 1.138 -6.989 -0.512 1.00 63.22 O ATOM 315 CB ALA A 20 -0.280 -9.745 0.617 1.00 12.25 C ATOM 0 H ALA A 20 0.077 -11.018 -1.533 1.00 62.11 H new ATOM 0 HA ALA A 20 -0.874 -8.391 -0.947 1.00 44.43 H new ATOM 0 HB1 ALA A 20 -0.298 -8.995 1.408 1.00 12.25 H new ATOM 0 HB2 ALA A 20 -1.235 -10.270 0.593 1.00 12.25 H new ATOM 0 HB3 ALA A 20 0.521 -10.458 0.811 1.00 12.25 H new ATOM 321 N ILE A 21 2.402 -8.851 -0.782 1.00 40.30 N ATOM 322 CA ILE A 21 3.708 -8.157 -0.721 1.00 12.31 C ATOM 323 C ILE A 21 3.844 -7.045 -1.822 1.00 5.33 C ATOM 324 O ILE A 21 4.097 -5.891 -1.468 1.00 72.22 O ATOM 325 CB ILE A 21 4.928 -9.185 -0.745 1.00 34.31 C ATOM 326 CG1 ILE A 21 5.105 -9.900 0.639 1.00 41.43 C ATOM 327 CG2 ILE A 21 6.251 -8.514 -1.188 1.00 10.53 C ATOM 328 CD1 ILE A 21 4.086 -10.980 0.966 1.00 60.31 C ATOM 0 H ILE A 21 2.476 -9.860 -0.914 1.00 40.30 H new ATOM 0 HA ILE A 21 3.747 -7.643 0.239 1.00 12.31 H new ATOM 0 HB ILE A 21 4.681 -9.942 -1.490 1.00 34.31 H new ATOM 0 HG12 ILE A 21 6.100 -10.345 0.671 1.00 41.43 H new ATOM 0 HG13 ILE A 21 5.068 -9.144 1.423 1.00 41.43 H new ATOM 0 HG21 ILE A 21 7.052 -9.254 -1.189 1.00 10.53 H new ATOM 0 HG22 ILE A 21 6.134 -8.106 -2.192 1.00 10.53 H new ATOM 0 HG23 ILE A 21 6.501 -7.710 -0.496 1.00 10.53 H new ATOM 0 HD11 ILE A 21 4.307 -11.404 1.946 1.00 60.31 H new ATOM 0 HD12 ILE A 21 3.086 -10.546 0.975 1.00 60.31 H new ATOM 0 HD13 ILE A 21 4.133 -11.765 0.212 1.00 60.31 H new ATOM 340 N PRO A 22 3.657 -7.342 -3.160 1.00 62.43 N ATOM 341 CA PRO A 22 3.726 -6.298 -4.226 1.00 33.24 C ATOM 342 C PRO A 22 2.562 -5.277 -4.185 1.00 24.31 C ATOM 343 O PRO A 22 2.752 -4.109 -4.525 1.00 11.12 O ATOM 344 CB PRO A 22 3.664 -7.109 -5.533 1.00 51.24 C ATOM 345 CG PRO A 22 2.949 -8.366 -5.156 1.00 4.53 C ATOM 346 CD PRO A 22 3.405 -8.685 -3.755 1.00 74.10 C ATOM 0 HA PRO A 22 4.624 -5.691 -4.109 1.00 33.24 H new ATOM 0 HB2 PRO A 22 3.129 -6.566 -6.313 1.00 51.24 H new ATOM 0 HB3 PRO A 22 4.662 -7.319 -5.918 1.00 51.24 H new ATOM 0 HG2 PRO A 22 1.868 -8.229 -5.195 1.00 4.53 H new ATOM 0 HG3 PRO A 22 3.193 -9.177 -5.842 1.00 4.53 H new ATOM 0 HD2 PRO A 22 2.644 -9.234 -3.200 1.00 74.10 H new ATOM 0 HD3 PRO A 22 4.305 -9.300 -3.755 1.00 74.10 H new ATOM 354 N GLN A 23 1.358 -5.746 -3.807 1.00 71.04 N ATOM 355 CA GLN A 23 0.140 -4.890 -3.737 1.00 22.12 C ATOM 356 C GLN A 23 0.311 -3.805 -2.655 1.00 71.15 C ATOM 357 O GLN A 23 -0.101 -2.651 -2.827 1.00 4.32 O ATOM 358 CB GLN A 23 -1.117 -5.760 -3.424 1.00 50.44 C ATOM 359 CG GLN A 23 -2.442 -4.986 -3.305 1.00 63.32 C ATOM 360 CD GLN A 23 -3.633 -5.859 -2.881 1.00 23.34 C ATOM 361 OE1 GLN A 23 -4.345 -6.417 -3.709 1.00 32.04 O ATOM 362 NE2 GLN A 23 -3.846 -5.989 -1.592 1.00 21.20 N ATOM 0 H GLN A 23 1.194 -6.717 -3.542 1.00 71.04 H new ATOM 0 HA GLN A 23 0.001 -4.406 -4.704 1.00 22.12 H new ATOM 0 HB2 GLN A 23 -1.223 -6.510 -4.208 1.00 50.44 H new ATOM 0 HB3 GLN A 23 -0.944 -6.296 -2.491 1.00 50.44 H new ATOM 0 HG2 GLN A 23 -2.318 -4.180 -2.581 1.00 63.32 H new ATOM 0 HG3 GLN A 23 -2.668 -4.521 -4.264 1.00 63.32 H new ATOM 0 HE21 GLN A 23 -3.239 -5.514 -0.924 1.00 21.20 H new ATOM 0 HE22 GLN A 23 -4.619 -6.565 -1.258 1.00 21.20 H new ATOM 371 N PHE A 24 0.970 -4.205 -1.565 1.00 52.40 N ATOM 372 CA PHE A 24 1.159 -3.350 -0.367 1.00 74.45 C ATOM 373 C PHE A 24 2.411 -2.464 -0.520 1.00 1.50 C ATOM 374 O PHE A 24 2.437 -1.331 -0.041 1.00 13.53 O ATOM 375 CB PHE A 24 1.253 -4.223 0.898 1.00 75.13 C ATOM 376 CG PHE A 24 1.305 -3.454 2.219 1.00 72.30 C ATOM 377 CD1 PHE A 24 0.205 -2.708 2.649 1.00 72.24 C ATOM 378 CD2 PHE A 24 2.438 -3.486 3.034 1.00 1.42 C ATOM 379 CE1 PHE A 24 0.237 -2.023 3.850 1.00 65.04 C ATOM 380 CE2 PHE A 24 2.467 -2.799 4.229 1.00 71.41 C ATOM 381 CZ PHE A 24 1.369 -2.070 4.639 1.00 21.22 C ATOM 0 H PHE A 24 1.392 -5.130 -1.478 1.00 52.40 H new ATOM 0 HA PHE A 24 0.296 -2.692 -0.268 1.00 74.45 H new ATOM 0 HB2 PHE A 24 0.395 -4.895 0.921 1.00 75.13 H new ATOM 0 HB3 PHE A 24 2.144 -4.847 0.824 1.00 75.13 H new ATOM 0 HD1 PHE A 24 -0.683 -2.666 2.035 1.00 72.24 H new ATOM 0 HD2 PHE A 24 3.302 -4.056 2.725 1.00 1.42 H new ATOM 0 HE1 PHE A 24 -0.622 -1.452 4.170 1.00 65.04 H new ATOM 0 HE2 PHE A 24 3.352 -2.831 4.847 1.00 71.41 H new ATOM 0 HZ PHE A 24 1.395 -1.536 5.577 1.00 21.22 H new ATOM 391 N SER A 25 3.450 -3.015 -1.174 1.00 72.24 N ATOM 392 CA SER A 25 4.639 -2.247 -1.598 1.00 50.01 C ATOM 393 C SER A 25 4.221 -1.067 -2.500 1.00 74.42 C ATOM 394 O SER A 25 4.504 0.086 -2.184 1.00 65.20 O ATOM 395 CB SER A 25 5.638 -3.168 -2.337 1.00 74.33 C ATOM 396 OG SER A 25 6.805 -2.468 -2.745 1.00 62.20 O ATOM 0 H SER A 25 3.491 -4.003 -1.424 1.00 72.24 H new ATOM 0 HA SER A 25 5.130 -1.846 -0.711 1.00 50.01 H new ATOM 0 HB2 SER A 25 5.920 -3.994 -1.685 1.00 74.33 H new ATOM 0 HB3 SER A 25 5.152 -3.603 -3.210 1.00 74.33 H new ATOM 0 HG SER A 25 7.412 -3.084 -3.206 1.00 62.20 H new ATOM 402 N ALA A 26 3.489 -1.389 -3.586 1.00 11.21 N ATOM 403 CA ALA A 26 2.939 -0.400 -4.546 1.00 25.13 C ATOM 404 C ALA A 26 1.942 0.579 -3.881 1.00 60.13 C ATOM 405 O ALA A 26 1.818 1.736 -4.311 1.00 64.42 O ATOM 406 CB ALA A 26 2.263 -1.125 -5.717 1.00 15.54 C ATOM 0 H ALA A 26 3.259 -2.353 -3.827 1.00 11.21 H new ATOM 0 HA ALA A 26 3.776 0.194 -4.913 1.00 25.13 H new ATOM 0 HB1 ALA A 26 1.862 -0.391 -6.417 1.00 15.54 H new ATOM 0 HB2 ALA A 26 2.994 -1.752 -6.228 1.00 15.54 H new ATOM 0 HB3 ALA A 26 1.452 -1.748 -5.340 1.00 15.54 H new ATOM 412 N TYR A 27 1.228 0.103 -2.833 1.00 44.25 N ATOM 413 CA TYR A 27 0.314 0.948 -2.037 1.00 62.54 C ATOM 414 C TYR A 27 1.108 2.049 -1.309 1.00 35.11 C ATOM 415 O TYR A 27 0.782 3.226 -1.406 1.00 13.22 O ATOM 416 CB TYR A 27 -0.447 0.093 -0.998 1.00 64.32 C ATOM 417 CG TYR A 27 -1.542 0.858 -0.223 1.00 4.32 C ATOM 418 CD1 TYR A 27 -2.804 1.071 -0.787 1.00 53.31 C ATOM 419 CD2 TYR A 27 -1.319 1.372 1.063 1.00 1.02 C ATOM 420 CE1 TYR A 27 -3.794 1.758 -0.108 1.00 33.32 C ATOM 421 CE2 TYR A 27 -2.310 2.062 1.742 1.00 71.43 C ATOM 422 CZ TYR A 27 -3.546 2.249 1.154 1.00 42.01 C ATOM 423 OH TYR A 27 -4.542 2.925 1.835 1.00 50.35 O ATOM 0 H TYR A 27 1.270 -0.867 -2.520 1.00 44.25 H new ATOM 0 HA TYR A 27 -0.405 1.407 -2.716 1.00 62.54 H new ATOM 0 HB2 TYR A 27 -0.905 -0.755 -1.508 1.00 64.32 H new ATOM 0 HB3 TYR A 27 0.270 -0.313 -0.284 1.00 64.32 H new ATOM 0 HD1 TYR A 27 -3.010 0.690 -1.776 1.00 53.31 H new ATOM 0 HD2 TYR A 27 -0.357 1.227 1.532 1.00 1.02 H new ATOM 0 HE1 TYR A 27 -4.760 1.909 -0.567 1.00 33.32 H new ATOM 0 HE2 TYR A 27 -2.117 2.453 2.730 1.00 71.43 H new ATOM 0 HH TYR A 27 -4.206 3.205 2.712 1.00 50.35 H new ATOM 433 N ARG A 28 2.163 1.621 -0.588 1.00 34.03 N ATOM 434 CA ARG A 28 3.049 2.523 0.174 1.00 14.50 C ATOM 435 C ARG A 28 3.870 3.430 -0.751 1.00 11.11 C ATOM 436 O ARG A 28 4.284 4.503 -0.335 1.00 52.42 O ATOM 437 CB ARG A 28 4.001 1.709 1.085 1.00 74.53 C ATOM 438 CG ARG A 28 3.297 0.924 2.211 1.00 44.11 C ATOM 439 CD ARG A 28 4.292 0.123 3.070 1.00 41.23 C ATOM 440 NE ARG A 28 5.315 0.995 3.676 1.00 34.25 N ATOM 441 CZ ARG A 28 6.470 0.599 4.176 1.00 74.32 C ATOM 442 NH1 ARG A 28 6.776 -0.653 4.282 1.00 51.53 N ATOM 443 NH2 ARG A 28 7.306 1.482 4.609 1.00 74.10 N ATOM 0 H ARG A 28 2.425 0.638 -0.518 1.00 34.03 H new ATOM 0 HA ARG A 28 2.411 3.156 0.791 1.00 14.50 H new ATOM 0 HB2 ARG A 28 4.562 1.008 0.467 1.00 74.53 H new ATOM 0 HB3 ARG A 28 4.725 2.390 1.533 1.00 74.53 H new ATOM 0 HG2 ARG A 28 2.747 1.618 2.847 1.00 44.11 H new ATOM 0 HG3 ARG A 28 2.566 0.243 1.775 1.00 44.11 H new ATOM 0 HD2 ARG A 28 3.752 -0.405 3.856 1.00 41.23 H new ATOM 0 HD3 ARG A 28 4.778 -0.634 2.454 1.00 41.23 H new ATOM 0 HE ARG A 28 5.112 1.994 3.712 1.00 34.25 H new ATOM 0 HH11 ARG A 28 6.116 -1.367 3.974 1.00 51.53 H new ATOM 0 HH12 ARG A 28 7.678 -0.926 4.673 1.00 51.53 H new ATOM 0 HH21 ARG A 28 7.070 2.473 4.562 1.00 74.10 H new ATOM 0 HH22 ARG A 28 8.202 1.188 4.998 1.00 74.10 H new ATOM 457 N VAL A 29 4.098 2.981 -1.998 1.00 63.10 N ATOM 458 CA VAL A 29 4.814 3.792 -3.018 1.00 11.23 C ATOM 459 C VAL A 29 3.965 5.005 -3.433 1.00 15.21 C ATOM 460 O VAL A 29 4.414 6.157 -3.330 1.00 34.40 O ATOM 461 CB VAL A 29 5.234 2.944 -4.289 1.00 24.12 C ATOM 462 CG1 VAL A 29 5.687 3.835 -5.478 1.00 55.52 C ATOM 463 CG2 VAL A 29 6.345 1.932 -3.925 1.00 31.23 C ATOM 0 H VAL A 29 3.800 2.064 -2.330 1.00 63.10 H new ATOM 0 HA VAL A 29 5.736 4.142 -2.555 1.00 11.23 H new ATOM 0 HB VAL A 29 4.346 2.402 -4.613 1.00 24.12 H new ATOM 0 HG11 VAL A 29 5.963 3.203 -6.322 1.00 55.52 H new ATOM 0 HG12 VAL A 29 4.870 4.494 -5.771 1.00 55.52 H new ATOM 0 HG13 VAL A 29 6.546 4.434 -5.177 1.00 55.52 H new ATOM 0 HG21 VAL A 29 6.620 1.359 -4.811 1.00 31.23 H new ATOM 0 HG22 VAL A 29 7.218 2.468 -3.554 1.00 31.23 H new ATOM 0 HG23 VAL A 29 5.981 1.254 -3.153 1.00 31.23 H new ATOM 473 N LYS A 30 2.724 4.728 -3.862 1.00 64.42 N ATOM 474 CA LYS A 30 1.774 5.780 -4.279 1.00 64.20 C ATOM 475 C LYS A 30 1.311 6.624 -3.068 1.00 74.41 C ATOM 476 O LYS A 30 0.902 7.763 -3.239 1.00 13.21 O ATOM 477 CB LYS A 30 0.539 5.167 -4.999 1.00 64.42 C ATOM 478 CG LYS A 30 -0.494 4.504 -4.059 1.00 1.21 C ATOM 479 CD LYS A 30 -1.695 3.839 -4.783 1.00 71.00 C ATOM 480 CE LYS A 30 -2.703 4.848 -5.396 1.00 44.30 C ATOM 481 NZ LYS A 30 -2.182 5.556 -6.600 1.00 21.13 N ATOM 0 H LYS A 30 2.351 3.781 -3.931 1.00 64.42 H new ATOM 0 HA LYS A 30 2.297 6.431 -4.979 1.00 64.20 H new ATOM 0 HB2 LYS A 30 0.041 5.952 -5.568 1.00 64.42 H new ATOM 0 HB3 LYS A 30 0.886 4.424 -5.717 1.00 64.42 H new ATOM 0 HG2 LYS A 30 0.013 3.750 -3.458 1.00 1.21 H new ATOM 0 HG3 LYS A 30 -0.875 5.258 -3.370 1.00 1.21 H new ATOM 0 HD2 LYS A 30 -1.316 3.194 -5.575 1.00 71.00 H new ATOM 0 HD3 LYS A 30 -2.223 3.199 -4.076 1.00 71.00 H new ATOM 0 HE2 LYS A 30 -3.617 4.318 -5.664 1.00 44.30 H new ATOM 0 HE3 LYS A 30 -2.972 5.585 -4.639 1.00 44.30 H new ATOM 0 HZ1 LYS A 30 -2.940 5.642 -7.307 1.00 21.13 H new ATOM 0 HZ2 LYS A 30 -1.852 6.504 -6.329 1.00 21.13 H new ATOM 0 HZ3 LYS A 30 -1.391 5.016 -7.005 1.00 21.13 H new ATOM 495 N ALA A 31 1.377 6.038 -1.842 1.00 24.24 N ATOM 496 CA ALA A 31 0.964 6.728 -0.595 1.00 52.13 C ATOM 497 C ALA A 31 2.077 7.661 -0.094 1.00 70.24 C ATOM 498 O ALA A 31 1.804 8.708 0.497 1.00 23.42 O ATOM 499 CB ALA A 31 0.580 5.703 0.490 1.00 65.45 C ATOM 0 H ALA A 31 1.714 5.087 -1.694 1.00 24.24 H new ATOM 0 HA ALA A 31 0.087 7.336 -0.816 1.00 52.13 H new ATOM 0 HB1 ALA A 31 0.280 6.228 1.397 1.00 65.45 H new ATOM 0 HB2 ALA A 31 -0.248 5.090 0.135 1.00 65.45 H new ATOM 0 HB3 ALA A 31 1.436 5.065 0.707 1.00 65.45 H new ATOM 505 N TYR A 32 3.342 7.271 -0.362 1.00 2.31 N ATOM 506 CA TYR A 32 4.535 8.073 0.008 1.00 14.52 C ATOM 507 C TYR A 32 4.675 9.288 -0.927 1.00 13.33 C ATOM 508 O TYR A 32 5.376 10.244 -0.617 1.00 71.44 O ATOM 509 CB TYR A 32 5.823 7.192 -0.038 1.00 40.24 C ATOM 510 CG TYR A 32 6.949 7.630 0.926 1.00 4.24 C ATOM 511 CD1 TYR A 32 7.874 8.623 0.582 1.00 64.10 C ATOM 512 CD2 TYR A 32 7.079 7.038 2.188 1.00 32.40 C ATOM 513 CE1 TYR A 32 8.874 9.003 1.457 1.00 20.42 C ATOM 514 CE2 TYR A 32 8.078 7.417 3.061 1.00 31.32 C ATOM 515 CZ TYR A 32 8.972 8.398 2.692 1.00 14.14 C ATOM 516 OH TYR A 32 9.961 8.781 3.572 1.00 64.14 O ATOM 0 H TYR A 32 3.567 6.397 -0.838 1.00 2.31 H new ATOM 0 HA TYR A 32 4.406 8.436 1.028 1.00 14.52 H new ATOM 0 HB2 TYR A 32 5.549 6.162 0.191 1.00 40.24 H new ATOM 0 HB3 TYR A 32 6.213 7.199 -1.056 1.00 40.24 H new ATOM 0 HD1 TYR A 32 7.805 9.101 -0.384 1.00 64.10 H new ATOM 0 HD2 TYR A 32 6.382 6.268 2.485 1.00 32.40 H new ATOM 0 HE1 TYR A 32 9.577 9.772 1.174 1.00 20.42 H new ATOM 0 HE2 TYR A 32 8.159 6.946 4.030 1.00 31.32 H new ATOM 0 HH TYR A 32 9.887 8.256 4.396 1.00 64.14 H new ATOM 526 N ASN A 33 4.014 9.208 -2.083 1.00 53.13 N ATOM 527 CA ASN A 33 3.939 10.308 -3.060 1.00 15.53 C ATOM 528 C ASN A 33 2.697 11.181 -2.808 1.00 61.24 C ATOM 529 O ASN A 33 2.804 12.403 -2.668 1.00 21.55 O ATOM 530 CB ASN A 33 3.892 9.736 -4.495 1.00 14.35 C ATOM 531 CG ASN A 33 5.133 8.930 -4.900 1.00 2.12 C ATOM 532 OD1 ASN A 33 5.031 7.938 -5.614 1.00 33.44 O ATOM 533 ND2 ASN A 33 6.317 9.356 -4.492 1.00 63.23 N ATOM 0 H ASN A 33 3.509 8.371 -2.375 1.00 53.13 H new ATOM 0 HA ASN A 33 4.828 10.929 -2.945 1.00 15.53 H new ATOM 0 HB2 ASN A 33 3.013 9.098 -4.590 1.00 14.35 H new ATOM 0 HB3 ASN A 33 3.765 10.560 -5.197 1.00 14.35 H new ATOM 0 HD21 ASN A 33 7.162 8.858 -4.771 1.00 63.23 H new ATOM 0 HD22 ASN A 33 6.385 10.183 -3.898 1.00 63.23 H new ATOM 540 N SER A 34 1.524 10.527 -2.738 1.00 64.13 N ATOM 541 CA SER A 34 0.213 11.214 -2.628 1.00 21.24 C ATOM 542 C SER A 34 0.080 11.974 -1.299 1.00 65.34 C ATOM 543 O SER A 34 -0.095 13.193 -1.305 1.00 1.30 O ATOM 544 CB SER A 34 -0.947 10.207 -2.780 1.00 52.23 C ATOM 545 OG SER A 34 -2.218 10.828 -2.641 1.00 63.50 O ATOM 0 H SER A 34 1.452 9.510 -2.756 1.00 64.13 H new ATOM 0 HA SER A 34 0.160 11.941 -3.439 1.00 21.24 H new ATOM 0 HB2 SER A 34 -0.884 9.727 -3.757 1.00 52.23 H new ATOM 0 HB3 SER A 34 -0.844 9.421 -2.031 1.00 52.23 H new ATOM 0 HG SER A 34 -2.924 10.156 -2.746 1.00 63.50 H new ATOM 551 N ALA A 35 0.184 11.244 -0.165 1.00 74.24 N ATOM 552 CA ALA A 35 0.057 11.838 1.183 1.00 44.00 C ATOM 553 C ALA A 35 1.146 12.896 1.457 1.00 52.13 C ATOM 554 O ALA A 35 0.853 13.950 2.009 1.00 20.22 O ATOM 555 CB ALA A 35 0.088 10.752 2.263 1.00 74.42 C ATOM 0 H ALA A 35 0.356 10.239 -0.159 1.00 74.24 H new ATOM 0 HA ALA A 35 -0.908 12.343 1.218 1.00 44.00 H new ATOM 0 HB1 ALA A 35 -0.007 11.214 3.246 1.00 74.42 H new ATOM 0 HB2 ALA A 35 -0.739 10.059 2.106 1.00 74.42 H new ATOM 0 HB3 ALA A 35 1.032 10.210 2.207 1.00 74.42 H new ATOM 561 N ALA A 36 2.399 12.621 1.021 1.00 34.32 N ATOM 562 CA ALA A 36 3.543 13.538 1.256 1.00 5.24 C ATOM 563 C ALA A 36 3.333 14.883 0.528 1.00 62.24 C ATOM 564 O ALA A 36 3.510 15.950 1.117 1.00 15.12 O ATOM 565 CB ALA A 36 4.855 12.879 0.826 1.00 42.21 C ATOM 0 H ALA A 36 2.644 11.775 0.506 1.00 34.32 H new ATOM 0 HA ALA A 36 3.600 13.746 2.324 1.00 5.24 H new ATOM 0 HB1 ALA A 36 5.683 13.565 1.005 1.00 42.21 H new ATOM 0 HB2 ALA A 36 5.009 11.966 1.401 1.00 42.21 H new ATOM 0 HB3 ALA A 36 4.809 12.635 -0.235 1.00 42.21 H new ATOM 571 N SER A 37 2.924 14.808 -0.751 1.00 62.43 N ATOM 572 CA SER A 37 2.589 16.000 -1.554 1.00 23.23 C ATOM 573 C SER A 37 1.355 16.735 -0.994 1.00 65.32 C ATOM 574 O SER A 37 1.373 17.949 -0.876 1.00 73.44 O ATOM 575 CB SER A 37 2.348 15.621 -3.035 1.00 30.00 C ATOM 576 OG SER A 37 3.532 15.118 -3.638 1.00 1.20 O ATOM 0 H SER A 37 2.817 13.928 -1.255 1.00 62.43 H new ATOM 0 HA SER A 37 3.443 16.675 -1.496 1.00 23.23 H new ATOM 0 HB2 SER A 37 1.559 14.872 -3.097 1.00 30.00 H new ATOM 0 HB3 SER A 37 2.001 16.496 -3.585 1.00 30.00 H new ATOM 0 HG SER A 37 3.594 14.153 -3.482 1.00 1.20 H new ATOM 582 N SER A 38 0.300 15.983 -0.622 1.00 21.43 N ATOM 583 CA SER A 38 -1.011 16.565 -0.241 1.00 72.24 C ATOM 584 C SER A 38 -0.984 17.261 1.116 1.00 60.11 C ATOM 585 O SER A 38 -1.660 18.270 1.292 1.00 21.22 O ATOM 586 CB SER A 38 -2.121 15.494 -0.274 1.00 53.23 C ATOM 587 OG SER A 38 -2.272 14.957 -1.580 1.00 30.12 O ATOM 0 H SER A 38 0.327 14.964 -0.576 1.00 21.43 H new ATOM 0 HA SER A 38 -1.232 17.331 -0.984 1.00 72.24 H new ATOM 0 HB2 SER A 38 -1.880 14.694 0.426 1.00 53.23 H new ATOM 0 HB3 SER A 38 -3.064 15.932 0.054 1.00 53.23 H new ATOM 0 HG SER A 38 -1.594 14.266 -1.730 1.00 30.12 H new ATOM 593 N ASP A 39 -0.205 16.719 2.062 1.00 63.31 N ATOM 594 CA ASP A 39 0.070 17.401 3.342 1.00 42.24 C ATOM 595 C ASP A 39 0.848 18.703 3.097 1.00 63.11 C ATOM 596 O ASP A 39 0.414 19.765 3.521 1.00 50.33 O ATOM 597 CB ASP A 39 0.839 16.483 4.327 1.00 63.45 C ATOM 598 CG ASP A 39 -0.066 15.424 4.980 1.00 32.20 C ATOM 599 OD1 ASP A 39 -0.936 15.801 5.790 1.00 31.31 O ATOM 600 OD2 ASP A 39 0.083 14.218 4.704 1.00 31.33 O ATOM 0 H ASP A 39 0.248 15.810 1.968 1.00 63.31 H new ATOM 0 HA ASP A 39 -0.888 17.644 3.801 1.00 42.24 H new ATOM 0 HB2 ASP A 39 1.650 15.985 3.795 1.00 63.45 H new ATOM 0 HB3 ASP A 39 1.296 17.094 5.105 1.00 63.45 H new ATOM 605 N LEU A 40 1.959 18.610 2.337 1.00 33.20 N ATOM 606 CA LEU A 40 2.861 19.759 2.080 1.00 41.11 C ATOM 607 C LEU A 40 2.156 20.880 1.281 1.00 50.00 C ATOM 608 O LEU A 40 2.433 22.055 1.494 1.00 43.23 O ATOM 609 CB LEU A 40 4.153 19.273 1.356 1.00 4.03 C ATOM 610 CG LEU A 40 5.342 18.833 2.273 1.00 13.02 C ATOM 611 CD1 LEU A 40 6.007 20.055 2.944 1.00 43.43 C ATOM 612 CD2 LEU A 40 4.912 17.789 3.332 1.00 22.55 C ATOM 0 H LEU A 40 2.257 17.745 1.886 1.00 33.20 H new ATOM 0 HA LEU A 40 3.141 20.189 3.042 1.00 41.11 H new ATOM 0 HB2 LEU A 40 3.889 18.433 0.713 1.00 4.03 H new ATOM 0 HB3 LEU A 40 4.502 20.075 0.706 1.00 4.03 H new ATOM 0 HG LEU A 40 6.077 18.351 1.628 1.00 13.02 H new ATOM 0 HD11 LEU A 40 6.830 19.720 3.575 1.00 43.43 H new ATOM 0 HD12 LEU A 40 6.389 20.728 2.177 1.00 43.43 H new ATOM 0 HD13 LEU A 40 5.272 20.580 3.554 1.00 43.43 H new ATOM 0 HD21 LEU A 40 5.772 17.516 3.943 1.00 22.55 H new ATOM 0 HD22 LEU A 40 4.135 18.214 3.968 1.00 22.55 H new ATOM 0 HD23 LEU A 40 4.526 16.901 2.832 1.00 22.55 H new ATOM 624 N ARG A 41 1.224 20.497 0.398 1.00 14.12 N ATOM 625 CA ARG A 41 0.445 21.463 -0.420 1.00 54.25 C ATOM 626 C ARG A 41 -0.707 22.077 0.406 1.00 72.31 C ATOM 627 O ARG A 41 -0.987 23.261 0.278 1.00 41.22 O ATOM 628 CB ARG A 41 -0.095 20.791 -1.709 1.00 43.12 C ATOM 629 CG ARG A 41 0.991 20.424 -2.750 1.00 10.44 C ATOM 630 CD ARG A 41 0.422 19.647 -3.956 1.00 23.13 C ATOM 631 NE ARG A 41 -0.234 18.387 -3.543 1.00 52.14 N ATOM 632 CZ ARG A 41 -0.872 17.559 -4.346 1.00 51.22 C ATOM 633 NH1 ARG A 41 -0.980 17.792 -5.620 1.00 14.14 N ATOM 634 NH2 ARG A 41 -1.410 16.493 -3.861 1.00 31.41 N ATOM 0 H ARG A 41 0.983 19.521 0.224 1.00 14.12 H new ATOM 0 HA ARG A 41 1.115 22.269 -0.718 1.00 54.25 H new ATOM 0 HB2 ARG A 41 -0.634 19.885 -1.432 1.00 43.12 H new ATOM 0 HB3 ARG A 41 -0.816 21.461 -2.177 1.00 43.12 H new ATOM 0 HG2 ARG A 41 1.471 21.336 -3.105 1.00 10.44 H new ATOM 0 HG3 ARG A 41 1.763 19.824 -2.268 1.00 10.44 H new ATOM 0 HD2 ARG A 41 -0.296 20.273 -4.485 1.00 23.13 H new ATOM 0 HD3 ARG A 41 1.227 19.424 -4.656 1.00 23.13 H new ATOM 0 HE ARG A 41 -0.189 18.138 -2.555 1.00 52.14 H new ATOM 0 HH11 ARG A 41 -0.565 18.633 -6.022 1.00 14.14 H new ATOM 0 HH12 ARG A 41 -1.479 17.134 -6.218 1.00 14.14 H new ATOM 0 HH21 ARG A 41 -1.340 16.295 -2.863 1.00 31.41 H new ATOM 0 HH22 ARG A 41 -1.906 15.847 -4.475 1.00 31.41 H new ATOM 648 N ASN A 42 -1.351 21.258 1.263 1.00 33.24 N ATOM 649 CA ASN A 42 -2.413 21.732 2.194 1.00 41.21 C ATOM 650 C ASN A 42 -1.839 22.733 3.240 1.00 24.21 C ATOM 651 O ASN A 42 -2.495 23.712 3.616 1.00 43.33 O ATOM 652 CB ASN A 42 -3.080 20.517 2.897 1.00 55.21 C ATOM 653 CG ASN A 42 -4.310 20.867 3.744 1.00 60.14 C ATOM 654 OD1 ASN A 42 -5.030 21.824 3.471 1.00 72.52 O ATOM 655 ND2 ASN A 42 -4.571 20.089 4.774 1.00 1.32 N ATOM 0 H ASN A 42 -1.157 20.259 1.334 1.00 33.24 H new ATOM 0 HA ASN A 42 -3.169 22.262 1.615 1.00 41.21 H new ATOM 0 HB2 ASN A 42 -3.372 19.790 2.139 1.00 55.21 H new ATOM 0 HB3 ASN A 42 -2.341 20.032 3.535 1.00 55.21 H new ATOM 0 HD21 ASN A 42 -5.383 20.276 5.362 1.00 1.32 H new ATOM 0 HD22 ASN A 42 -3.961 19.299 4.984 1.00 1.32 H new ATOM 662 N LEU A 43 -0.591 22.480 3.670 1.00 51.43 N ATOM 663 CA LEU A 43 0.123 23.333 4.646 1.00 53.54 C ATOM 664 C LEU A 43 0.673 24.606 3.969 1.00 11.15 C ATOM 665 O LEU A 43 0.677 25.686 4.567 1.00 60.24 O ATOM 666 CB LEU A 43 1.279 22.535 5.306 1.00 52.31 C ATOM 667 CG LEU A 43 0.855 21.302 6.174 1.00 34.25 C ATOM 668 CD1 LEU A 43 2.083 20.511 6.684 1.00 74.45 C ATOM 669 CD2 LEU A 43 -0.067 21.718 7.341 1.00 73.22 C ATOM 0 H LEU A 43 -0.045 21.679 3.353 1.00 51.43 H new ATOM 0 HA LEU A 43 -0.585 23.637 5.417 1.00 53.54 H new ATOM 0 HB2 LEU A 43 1.949 22.187 4.520 1.00 52.31 H new ATOM 0 HB3 LEU A 43 1.852 23.217 5.935 1.00 52.31 H new ATOM 0 HG LEU A 43 0.285 20.637 5.526 1.00 34.25 H new ATOM 0 HD11 LEU A 43 1.747 19.664 7.282 1.00 74.45 H new ATOM 0 HD12 LEU A 43 2.661 20.149 5.834 1.00 74.45 H new ATOM 0 HD13 LEU A 43 2.707 21.162 7.296 1.00 74.45 H new ATOM 0 HD21 LEU A 43 -0.340 20.836 7.921 1.00 73.22 H new ATOM 0 HD22 LEU A 43 0.456 22.427 7.983 1.00 73.22 H new ATOM 0 HD23 LEU A 43 -0.968 22.185 6.944 1.00 73.22 H new ATOM 681 N LYS A 44 1.121 24.465 2.704 1.00 64.13 N ATOM 682 CA LYS A 44 1.717 25.580 1.938 1.00 45.43 C ATOM 683 C LYS A 44 0.634 26.582 1.536 1.00 44.42 C ATOM 684 O LYS A 44 0.825 27.781 1.671 1.00 52.11 O ATOM 685 CB LYS A 44 2.472 25.026 0.696 1.00 44.33 C ATOM 686 CG LYS A 44 3.262 26.076 -0.155 1.00 23.24 C ATOM 687 CD LYS A 44 2.486 26.620 -1.389 1.00 1.44 C ATOM 688 CE LYS A 44 2.239 25.539 -2.457 1.00 72.50 C ATOM 689 NZ LYS A 44 3.501 24.937 -2.963 1.00 74.11 N ATOM 0 H LYS A 44 1.081 23.585 2.189 1.00 64.13 H new ATOM 0 HA LYS A 44 2.439 26.105 2.564 1.00 45.43 H new ATOM 0 HB2 LYS A 44 3.172 24.261 1.033 1.00 44.33 H new ATOM 0 HB3 LYS A 44 1.749 24.533 0.047 1.00 44.33 H new ATOM 0 HG2 LYS A 44 3.534 26.914 0.486 1.00 23.24 H new ATOM 0 HG3 LYS A 44 4.192 25.622 -0.497 1.00 23.24 H new ATOM 0 HD2 LYS A 44 1.529 27.027 -1.061 1.00 1.44 H new ATOM 0 HD3 LYS A 44 3.047 27.442 -1.833 1.00 1.44 H new ATOM 0 HE2 LYS A 44 1.610 24.755 -2.036 1.00 72.50 H new ATOM 0 HE3 LYS A 44 1.689 25.976 -3.291 1.00 72.50 H new ATOM 0 HZ1 LYS A 44 3.297 24.357 -3.802 1.00 74.11 H new ATOM 0 HZ2 LYS A 44 4.168 25.693 -3.218 1.00 74.11 H new ATOM 0 HZ3 LYS A 44 3.922 24.339 -2.223 1.00 74.11 H new ATOM 703 N THR A 45 -0.512 26.052 1.067 1.00 33.42 N ATOM 704 CA THR A 45 -1.671 26.858 0.627 1.00 62.51 C ATOM 705 C THR A 45 -2.328 27.603 1.812 1.00 50.23 C ATOM 706 O THR A 45 -2.882 28.691 1.649 1.00 3.32 O ATOM 707 CB THR A 45 -2.724 25.964 -0.118 1.00 14.30 C ATOM 708 OG1 THR A 45 -3.542 26.772 -0.975 1.00 54.52 O ATOM 709 CG2 THR A 45 -3.639 25.154 0.824 1.00 61.43 C ATOM 0 H THR A 45 -0.662 25.047 0.982 1.00 33.42 H new ATOM 0 HA THR A 45 -1.301 27.608 -0.072 1.00 62.51 H new ATOM 0 HB THR A 45 -2.142 25.245 -0.694 1.00 14.30 H new ATOM 0 HG1 THR A 45 -4.194 26.204 -1.436 1.00 54.52 H new ATOM 0 HG21 THR A 45 -4.338 24.563 0.233 1.00 61.43 H new ATOM 0 HG22 THR A 45 -3.032 24.490 1.439 1.00 61.43 H new ATOM 0 HG23 THR A 45 -4.195 25.836 1.467 1.00 61.43 H new ATOM 717 N ALA A 46 -2.246 26.980 3.001 1.00 61.41 N ATOM 718 CA ALA A 46 -2.692 27.583 4.275 1.00 31.42 C ATOM 719 C ALA A 46 -1.854 28.839 4.619 1.00 1.11 C ATOM 720 O ALA A 46 -2.406 29.923 4.847 1.00 54.25 O ATOM 721 CB ALA A 46 -2.624 26.543 5.409 1.00 13.42 C ATOM 0 H ALA A 46 -1.867 26.039 3.108 1.00 61.41 H new ATOM 0 HA ALA A 46 -3.728 27.901 4.162 1.00 31.42 H new ATOM 0 HB1 ALA A 46 -2.955 27.000 6.342 1.00 13.42 H new ATOM 0 HB2 ALA A 46 -3.271 25.699 5.168 1.00 13.42 H new ATOM 0 HB3 ALA A 46 -1.598 26.193 5.521 1.00 13.42 H new ATOM 727 N LEU A 47 -0.515 28.675 4.626 1.00 74.23 N ATOM 728 CA LEU A 47 0.445 29.783 4.877 1.00 13.00 C ATOM 729 C LEU A 47 0.461 30.819 3.715 1.00 53.40 C ATOM 730 O LEU A 47 0.778 31.999 3.937 1.00 53.32 O ATOM 731 CB LEU A 47 1.877 29.212 5.123 1.00 34.23 C ATOM 732 CG LEU A 47 2.204 28.720 6.579 1.00 73.43 C ATOM 733 CD1 LEU A 47 1.233 27.623 7.072 1.00 50.10 C ATOM 734 CD2 LEU A 47 3.670 28.234 6.680 1.00 62.13 C ATOM 0 H LEU A 47 -0.064 27.775 4.459 1.00 74.23 H new ATOM 0 HA LEU A 47 0.112 30.309 5.772 1.00 13.00 H new ATOM 0 HB2 LEU A 47 2.032 28.377 4.440 1.00 34.23 H new ATOM 0 HB3 LEU A 47 2.600 29.982 4.854 1.00 34.23 H new ATOM 0 HG LEU A 47 2.070 29.580 7.235 1.00 73.43 H new ATOM 0 HD11 LEU A 47 1.507 27.322 8.083 1.00 50.10 H new ATOM 0 HD12 LEU A 47 0.215 28.012 7.073 1.00 50.10 H new ATOM 0 HD13 LEU A 47 1.291 26.760 6.408 1.00 50.10 H new ATOM 0 HD21 LEU A 47 3.873 27.898 7.697 1.00 62.13 H new ATOM 0 HD22 LEU A 47 3.828 27.408 5.987 1.00 62.13 H new ATOM 0 HD23 LEU A 47 4.343 29.053 6.427 1.00 62.13 H new ATOM 746 N GLU A 48 0.119 30.368 2.489 1.00 53.51 N ATOM 747 CA GLU A 48 0.062 31.201 1.291 1.00 22.42 C ATOM 748 C GLU A 48 -1.113 32.178 1.377 1.00 44.01 C ATOM 749 O GLU A 48 -0.932 33.382 1.212 1.00 43.11 O ATOM 750 CB GLU A 48 -0.094 30.268 0.064 1.00 13.34 C ATOM 751 CG GLU A 48 -0.028 30.951 -1.298 1.00 40.35 C ATOM 752 CD GLU A 48 1.379 31.462 -1.654 1.00 50.21 C ATOM 753 OE1 GLU A 48 2.229 30.637 -2.066 1.00 53.33 O ATOM 754 OE2 GLU A 48 1.651 32.675 -1.513 1.00 42.22 O ATOM 0 H GLU A 48 -0.128 29.394 2.312 1.00 53.51 H new ATOM 0 HA GLU A 48 0.975 31.789 1.198 1.00 22.42 H new ATOM 0 HB2 GLU A 48 0.686 29.508 0.107 1.00 13.34 H new ATOM 0 HB3 GLU A 48 -1.049 29.749 0.144 1.00 13.34 H new ATOM 0 HG2 GLU A 48 -0.357 30.250 -2.065 1.00 40.35 H new ATOM 0 HG3 GLU A 48 -0.725 31.789 -1.311 1.00 40.35 H new ATOM 761 N SER A 49 -2.307 31.625 1.670 1.00 65.35 N ATOM 762 CA SER A 49 -3.556 32.398 1.858 1.00 22.40 C ATOM 763 C SER A 49 -3.457 33.363 3.062 1.00 61.52 C ATOM 764 O SER A 49 -3.986 34.477 3.023 1.00 61.15 O ATOM 765 CB SER A 49 -4.746 31.435 2.053 1.00 13.51 C ATOM 766 OG SER A 49 -5.969 32.140 2.232 1.00 14.12 O ATOM 0 H SER A 49 -2.435 30.620 1.784 1.00 65.35 H new ATOM 0 HA SER A 49 -3.713 32.999 0.962 1.00 22.40 H new ATOM 0 HB2 SER A 49 -4.828 30.778 1.187 1.00 13.51 H new ATOM 0 HB3 SER A 49 -4.562 30.800 2.919 1.00 13.51 H new ATOM 0 HG SER A 49 -6.701 31.500 2.351 1.00 14.12 H new ATOM 772 N ALA A 50 -2.763 32.906 4.127 1.00 51.15 N ATOM 773 CA ALA A 50 -2.523 33.701 5.351 1.00 55.54 C ATOM 774 C ALA A 50 -1.700 34.981 5.054 1.00 42.44 C ATOM 775 O ALA A 50 -2.090 36.089 5.440 1.00 61.34 O ATOM 776 CB ALA A 50 -1.818 32.830 6.408 1.00 64.12 C ATOM 0 H ALA A 50 -2.352 31.973 4.162 1.00 51.15 H new ATOM 0 HA ALA A 50 -3.488 34.025 5.740 1.00 55.54 H new ATOM 0 HB1 ALA A 50 -1.643 33.420 7.308 1.00 64.12 H new ATOM 0 HB2 ALA A 50 -2.447 31.974 6.652 1.00 64.12 H new ATOM 0 HB3 ALA A 50 -0.864 32.479 6.013 1.00 64.12 H new ATOM 782 N PHE A 51 -0.564 34.812 4.349 1.00 15.11 N ATOM 783 CA PHE A 51 0.316 35.942 3.958 1.00 70.23 C ATOM 784 C PHE A 51 -0.297 36.757 2.778 1.00 54.34 C ATOM 785 O PHE A 51 0.021 37.941 2.594 1.00 31.33 O ATOM 786 CB PHE A 51 1.730 35.408 3.607 1.00 43.32 C ATOM 787 CG PHE A 51 2.808 36.493 3.477 1.00 40.11 C ATOM 788 CD1 PHE A 51 3.157 37.278 4.581 1.00 64.33 C ATOM 789 CD2 PHE A 51 3.466 36.732 2.270 1.00 54.54 C ATOM 790 CE1 PHE A 51 4.128 38.257 4.481 1.00 73.41 C ATOM 791 CE2 PHE A 51 4.439 37.712 2.173 1.00 22.22 C ATOM 792 CZ PHE A 51 4.768 38.475 3.276 1.00 45.43 C ATOM 0 H PHE A 51 -0.229 33.901 4.035 1.00 15.11 H new ATOM 0 HA PHE A 51 0.403 36.626 4.802 1.00 70.23 H new ATOM 0 HB2 PHE A 51 2.037 34.699 4.376 1.00 43.32 H new ATOM 0 HB3 PHE A 51 1.673 34.856 2.669 1.00 43.32 H new ATOM 0 HD1 PHE A 51 2.660 37.117 5.526 1.00 64.33 H new ATOM 0 HD2 PHE A 51 3.213 36.145 1.400 1.00 54.54 H new ATOM 0 HE1 PHE A 51 4.386 38.851 5.345 1.00 73.41 H new ATOM 0 HE2 PHE A 51 4.942 37.880 1.232 1.00 22.22 H new ATOM 0 HZ PHE A 51 5.525 39.241 3.197 1.00 45.43 H new ATOM 802 N ALA A 52 -1.188 36.105 1.994 1.00 32.31 N ATOM 803 CA ALA A 52 -1.944 36.759 0.893 1.00 14.14 C ATOM 804 C ALA A 52 -3.033 37.713 1.424 1.00 24.44 C ATOM 805 O ALA A 52 -3.429 38.649 0.726 1.00 64.10 O ATOM 806 CB ALA A 52 -2.557 35.710 -0.051 1.00 14.14 C ATOM 0 H ALA A 52 -1.404 35.114 2.104 1.00 32.31 H new ATOM 0 HA ALA A 52 -1.231 37.361 0.329 1.00 14.14 H new ATOM 0 HB1 ALA A 52 -3.105 36.213 -0.848 1.00 14.14 H new ATOM 0 HB2 ALA A 52 -1.763 35.102 -0.485 1.00 14.14 H new ATOM 0 HB3 ALA A 52 -3.238 35.070 0.510 1.00 14.14 H new ATOM 812 N ASP A 53 -3.505 37.463 2.665 1.00 33.04 N ATOM 813 CA ASP A 53 -4.468 38.347 3.364 1.00 35.43 C ATOM 814 C ASP A 53 -3.847 39.748 3.625 1.00 10.43 C ATOM 815 O ASP A 53 -4.546 40.765 3.599 1.00 72.25 O ATOM 816 CB ASP A 53 -4.916 37.683 4.693 1.00 53.43 C ATOM 817 CG ASP A 53 -6.048 38.444 5.407 1.00 4.34 C ATOM 818 OD1 ASP A 53 -7.224 38.263 5.030 1.00 65.42 O ATOM 819 OD2 ASP A 53 -5.769 39.231 6.340 1.00 54.14 O ATOM 0 H ASP A 53 -3.231 36.646 3.210 1.00 33.04 H new ATOM 0 HA ASP A 53 -5.342 38.488 2.728 1.00 35.43 H new ATOM 0 HB2 ASP A 53 -5.246 36.665 4.488 1.00 53.43 H new ATOM 0 HB3 ASP A 53 -4.058 37.612 5.362 1.00 53.43 H new ATOM 824 N ASP A 54 -2.522 39.775 3.868 1.00 4.02 N ATOM 825 CA ASP A 54 -1.749 41.023 4.064 1.00 31.15 C ATOM 826 C ASP A 54 -1.567 41.809 2.732 1.00 74.30 C ATOM 827 O ASP A 54 -1.412 43.037 2.738 1.00 1.12 O ATOM 828 CB ASP A 54 -0.371 40.660 4.678 1.00 24.33 C ATOM 829 CG ASP A 54 0.512 41.878 4.992 1.00 64.14 C ATOM 830 OD1 ASP A 54 0.179 42.628 5.932 1.00 45.13 O ATOM 831 OD2 ASP A 54 1.533 42.094 4.307 1.00 31.44 O ATOM 0 H ASP A 54 -1.954 38.931 3.935 1.00 4.02 H new ATOM 0 HA ASP A 54 -2.301 41.676 4.740 1.00 31.15 H new ATOM 0 HB2 ASP A 54 -0.531 40.094 5.595 1.00 24.33 H new ATOM 0 HB3 ASP A 54 0.162 40.006 3.988 1.00 24.33 H new ATOM 836 N GLN A 55 -1.622 41.093 1.596 1.00 43.44 N ATOM 837 CA GLN A 55 -1.334 41.664 0.250 1.00 52.22 C ATOM 838 C GLN A 55 -2.487 41.385 -0.759 1.00 0.20 C ATOM 839 O GLN A 55 -2.236 41.135 -1.946 1.00 1.52 O ATOM 840 CB GLN A 55 0.021 41.085 -0.263 1.00 71.42 C ATOM 841 CG GLN A 55 0.027 39.553 -0.459 1.00 11.20 C ATOM 842 CD GLN A 55 1.372 39.010 -0.926 1.00 52.41 C ATOM 843 OE1 GLN A 55 1.641 38.928 -2.121 1.00 72.33 O ATOM 844 NE2 GLN A 55 2.211 38.612 0.006 1.00 50.21 N ATOM 0 H GLN A 55 -1.866 40.103 1.575 1.00 43.44 H new ATOM 0 HA GLN A 55 -1.258 42.748 0.335 1.00 52.22 H new ATOM 0 HB2 GLN A 55 0.270 41.561 -1.211 1.00 71.42 H new ATOM 0 HB3 GLN A 55 0.807 41.352 0.444 1.00 71.42 H new ATOM 0 HG2 GLN A 55 -0.244 39.072 0.481 1.00 11.20 H new ATOM 0 HG3 GLN A 55 -0.738 39.284 -1.187 1.00 11.20 H new ATOM 0 HE21 GLN A 55 1.956 38.694 0.990 1.00 50.21 H new ATOM 0 HE22 GLN A 55 3.116 38.221 -0.256 1.00 50.21 H new ATOM 853 N THR A 56 -3.754 41.479 -0.289 1.00 3.22 N ATOM 854 CA THR A 56 -4.963 41.218 -1.139 1.00 5.44 C ATOM 855 C THR A 56 -4.989 42.102 -2.417 1.00 41.43 C ATOM 856 O THR A 56 -5.334 41.631 -3.503 1.00 64.24 O ATOM 857 CB THR A 56 -6.298 41.428 -0.346 1.00 15.25 C ATOM 858 OG1 THR A 56 -6.394 42.789 0.126 1.00 10.24 O ATOM 859 CG2 THR A 56 -6.421 40.461 0.844 1.00 21.43 C ATOM 0 H THR A 56 -3.976 41.733 0.674 1.00 3.22 H new ATOM 0 HA THR A 56 -4.888 40.172 -1.437 1.00 5.44 H new ATOM 0 HB THR A 56 -7.116 41.219 -1.035 1.00 15.25 H new ATOM 0 HG1 THR A 56 -7.233 42.906 0.618 1.00 10.24 H new ATOM 0 HG21 THR A 56 -7.361 40.642 1.365 1.00 21.43 H new ATOM 0 HG22 THR A 56 -6.399 39.433 0.481 1.00 21.43 H new ATOM 0 HG23 THR A 56 -5.590 40.621 1.530 1.00 21.43 H new ATOM 867 N TYR A 57 -4.618 43.383 -2.264 1.00 62.40 N ATOM 868 CA TYR A 57 -4.355 44.295 -3.401 1.00 35.32 C ATOM 869 C TYR A 57 -3.204 45.275 -3.042 1.00 0.13 C ATOM 870 O TYR A 57 -3.433 46.282 -2.360 1.00 53.35 O ATOM 871 CB TYR A 57 -5.639 45.066 -3.832 1.00 74.51 C ATOM 872 CG TYR A 57 -5.413 46.050 -5.001 1.00 63.23 C ATOM 873 CD1 TYR A 57 -4.936 45.603 -6.239 1.00 70.42 C ATOM 874 CD2 TYR A 57 -5.663 47.421 -4.862 1.00 44.42 C ATOM 875 CE1 TYR A 57 -4.716 46.476 -7.282 1.00 65.11 C ATOM 876 CE2 TYR A 57 -5.445 48.295 -5.908 1.00 3.11 C ATOM 877 CZ TYR A 57 -4.972 47.819 -7.112 1.00 1.12 C ATOM 878 OH TYR A 57 -4.752 48.692 -8.154 1.00 34.41 O ATOM 0 H TYR A 57 -4.491 43.820 -1.351 1.00 62.40 H new ATOM 0 HA TYR A 57 -4.047 43.692 -4.255 1.00 35.32 H new ATOM 0 HB2 TYR A 57 -6.405 44.345 -4.119 1.00 74.51 H new ATOM 0 HB3 TYR A 57 -6.025 45.617 -2.975 1.00 74.51 H new ATOM 0 HD1 TYR A 57 -4.736 44.551 -6.380 1.00 70.42 H new ATOM 0 HD2 TYR A 57 -6.032 47.801 -3.921 1.00 44.42 H new ATOM 0 HE1 TYR A 57 -4.345 46.109 -8.228 1.00 65.11 H new ATOM 0 HE2 TYR A 57 -5.645 49.349 -5.783 1.00 3.11 H new ATOM 0 HH TYR A 57 -4.982 49.602 -7.873 1.00 34.41 H new ATOM 888 N PRO A 58 -1.926 44.964 -3.446 1.00 31.23 N ATOM 889 CA PRO A 58 -0.776 45.909 -3.320 1.00 40.32 C ATOM 890 C PRO A 58 -0.871 47.097 -4.334 1.00 51.43 C ATOM 891 O PRO A 58 -1.728 47.072 -5.232 1.00 30.24 O ATOM 892 CB PRO A 58 0.468 44.998 -3.597 1.00 71.33 C ATOM 893 CG PRO A 58 -0.053 43.588 -3.535 1.00 74.01 C ATOM 894 CD PRO A 58 -1.481 43.671 -4.017 1.00 13.42 C ATOM 0 HA PRO A 58 -0.737 46.396 -2.346 1.00 40.32 H new ATOM 0 HB2 PRO A 58 0.905 45.214 -4.572 1.00 71.33 H new ATOM 0 HB3 PRO A 58 1.249 45.162 -2.855 1.00 71.33 H new ATOM 0 HG2 PRO A 58 0.537 42.922 -4.165 1.00 74.01 H new ATOM 0 HG3 PRO A 58 -0.002 43.194 -2.520 1.00 74.01 H new ATOM 0 HD2 PRO A 58 -1.545 43.662 -5.105 1.00 13.42 H new ATOM 0 HD3 PRO A 58 -2.083 42.837 -3.655 1.00 13.42 H new ATOM 902 N PRO A 59 -0.019 48.175 -4.192 1.00 22.43 N ATOM 903 CA PRO A 59 0.050 49.278 -5.196 1.00 55.41 C ATOM 904 C PRO A 59 0.462 48.760 -6.607 1.00 1.42 C ATOM 905 O PRO A 59 1.652 48.540 -6.877 1.00 31.31 O ATOM 906 CB PRO A 59 1.107 50.259 -4.599 1.00 54.01 C ATOM 907 CG PRO A 59 1.151 49.929 -3.135 1.00 52.45 C ATOM 908 CD PRO A 59 0.896 48.438 -3.046 1.00 43.31 C ATOM 0 HA PRO A 59 -0.916 49.756 -5.357 1.00 55.41 H new ATOM 0 HB2 PRO A 59 2.083 50.121 -5.065 1.00 54.01 H new ATOM 0 HB3 PRO A 59 0.820 51.298 -4.762 1.00 54.01 H new ATOM 0 HG2 PRO A 59 2.118 50.188 -2.704 1.00 52.45 H new ATOM 0 HG3 PRO A 59 0.396 50.489 -2.584 1.00 52.45 H new ATOM 0 HD2 PRO A 59 1.820 47.867 -3.131 1.00 43.31 H new ATOM 0 HD3 PRO A 59 0.438 48.165 -2.095 1.00 43.31 H new ATOM 916 N GLU A 60 -0.549 48.531 -7.472 1.00 2.11 N ATOM 917 CA GLU A 60 -0.357 47.961 -8.817 1.00 31.11 C ATOM 918 C GLU A 60 0.410 48.945 -9.739 1.00 3.52 C ATOM 919 O GLU A 60 -0.157 49.941 -10.208 1.00 14.01 O ATOM 920 CB GLU A 60 -1.747 47.562 -9.413 1.00 43.32 C ATOM 921 CG GLU A 60 -1.719 46.780 -10.759 1.00 51.24 C ATOM 922 CD GLU A 60 -1.822 47.658 -12.028 1.00 34.32 C ATOM 923 OE1 GLU A 60 -2.950 48.027 -12.417 1.00 21.12 O ATOM 924 OE2 GLU A 60 -0.782 47.984 -12.637 1.00 22.03 O ATOM 0 H GLU A 60 -1.524 48.738 -7.254 1.00 2.11 H new ATOM 0 HA GLU A 60 0.257 47.064 -8.744 1.00 31.11 H new ATOM 0 HB2 GLU A 60 -2.275 46.957 -8.676 1.00 43.32 H new ATOM 0 HB3 GLU A 60 -2.332 48.471 -9.557 1.00 43.32 H new ATOM 0 HG2 GLU A 60 -0.795 46.204 -10.808 1.00 51.24 H new ATOM 0 HG3 GLU A 60 -2.541 46.064 -10.763 1.00 51.24 H new ATOM 931 N SER A 61 1.709 48.655 -9.956 1.00 35.10 N ATOM 932 CA SER A 61 2.614 49.463 -10.811 1.00 72.21 C ATOM 933 C SER A 61 3.514 48.525 -11.665 1.00 21.40 C ATOM 934 O SER A 61 4.532 48.015 -11.149 1.00 41.13 O ATOM 935 CB SER A 61 3.472 50.422 -9.933 1.00 33.05 C ATOM 936 OG SER A 61 2.664 51.333 -9.206 1.00 11.41 O ATOM 937 OXT SER A 61 3.177 48.276 -12.844 1.00 39.40 O ATOM 0 H SER A 61 2.168 47.845 -9.540 1.00 35.10 H new ATOM 0 HA SER A 61 2.017 50.073 -11.489 1.00 72.21 H new ATOM 0 HB2 SER A 61 4.076 49.837 -9.239 1.00 33.05 H new ATOM 0 HB3 SER A 61 4.163 50.976 -10.568 1.00 33.05 H new ATOM 0 HG SER A 61 3.235 51.918 -8.665 1.00 11.41 H new TER 943 SER A 61