USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 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 72 HIS : no HE2:sc= -1 K(o=-2.7,f=-9!) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.69! C(o=-2.7!,f=-5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.128 K(o=0.13,f=-5.2!) USER MOD Single : A 82 THR OG1 : rot -46:sc= 1.21 USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= -0.0635 (180deg=-0.5) USER MOD Single : A 89 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.68) USER MOD Single : A 92 LYS NZ :NH3+ -141:sc= 0.594 (180deg=0.0637) USER MOD Single : A 93 TYR OH : rot 1:sc= 1.12 USER MOD Single : A 95 GLN : amide:sc= -0.603 K(o=-0.6,f=-5!) USER MOD Single : A 97 THR OG1 : rot 58:sc=0.000864 USER MOD Single : A 101 SER OG : rot -58:sc= 0.944 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.0948 K(o=0.095,f=-3.4!) USER MOD Single : A 109 SER OG : rot -67:sc= 1.23 USER MOD Single : A 111 THR OG1 : rot 180:sc= -4.85! USER MOD Single : A 114 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.1) USER MOD Single : A 115 GLN : amide:sc= 0.194 K(o=0.19,f=-1.6!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 32:sc= 0.827 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 67.586 22.185 123.129 1.00 0.00 N ATOM 2 CA GLU A 68 66.901 21.210 122.254 1.00 0.00 C ATOM 3 C GLU A 68 65.827 21.873 121.453 1.00 0.00 C ATOM 4 O GLU A 68 66.030 22.957 120.907 1.00 0.00 O ATOM 5 CB GLU A 68 66.314 20.061 123.094 1.00 0.00 C ATOM 6 CG GLU A 68 65.354 20.524 124.190 1.00 0.00 C ATOM 7 CD GLU A 68 64.769 19.285 124.854 1.00 0.00 C ATOM 8 OE1 GLU A 68 63.855 18.678 124.234 1.00 0.00 O ATOM 9 OE2 GLU A 68 65.217 18.926 125.974 1.00 0.00 O ATOM 0 HA GLU A 68 67.635 20.799 121.560 1.00 0.00 H new ATOM 0 HB2 GLU A 68 65.790 19.371 122.433 1.00 0.00 H new ATOM 0 HB3 GLU A 68 67.131 19.504 123.552 1.00 0.00 H new ATOM 0 HG2 GLU A 68 65.879 21.138 124.922 1.00 0.00 H new ATOM 0 HG3 GLU A 68 64.561 21.141 123.767 1.00 0.00 H new ATOM 15 N GLY A 69 64.639 21.249 121.376 1.00 0.00 N ATOM 16 CA GLY A 69 63.605 21.804 120.556 1.00 0.00 C ATOM 17 C GLY A 69 62.902 22.848 121.350 1.00 0.00 C ATOM 18 O GLY A 69 63.457 23.411 122.292 1.00 0.00 O ATOM 0 H GLY A 69 64.397 20.387 121.864 1.00 0.00 H new ATOM 0 HA2 GLY A 69 64.028 22.235 119.649 1.00 0.00 H new ATOM 0 HA3 GLY A 69 62.907 21.027 120.244 1.00 0.00 H new ATOM 22 N GLY A 70 61.654 23.143 120.952 1.00 0.00 N ATOM 23 CA GLY A 70 60.855 24.134 121.603 1.00 0.00 C ATOM 24 C GLY A 70 60.938 25.329 120.723 1.00 0.00 C ATOM 25 O GLY A 70 61.940 26.044 120.722 1.00 0.00 O ATOM 0 H GLY A 70 61.191 22.687 120.166 1.00 0.00 H new ATOM 0 HA2 GLY A 70 59.824 23.798 121.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 61.232 24.352 122.602 1.00 0.00 H new ATOM 29 N GLN A 71 59.881 25.537 119.916 1.00 0.00 N ATOM 30 CA GLN A 71 59.818 26.611 118.971 1.00 0.00 C ATOM 31 C GLN A 71 59.646 27.950 119.652 1.00 0.00 C ATOM 32 O GLN A 71 60.380 28.892 119.363 1.00 0.00 O ATOM 33 CB GLN A 71 58.659 26.395 117.985 1.00 0.00 C ATOM 34 CG GLN A 71 58.660 27.302 116.755 1.00 0.00 C ATOM 35 CD GLN A 71 57.301 27.123 116.096 1.00 0.00 C ATOM 36 OE1 GLN A 71 56.368 27.877 116.365 1.00 0.00 O ATOM 37 NE2 GLN A 71 57.170 26.089 115.221 1.00 0.00 N ATOM 0 H GLN A 71 59.050 24.945 119.920 1.00 0.00 H new ATOM 0 HA GLN A 71 60.765 26.617 118.432 1.00 0.00 H new ATOM 0 HB2 GLN A 71 58.680 25.358 117.650 1.00 0.00 H new ATOM 0 HB3 GLN A 71 57.720 26.539 118.519 1.00 0.00 H new ATOM 0 HG2 GLN A 71 58.822 28.342 117.038 1.00 0.00 H new ATOM 0 HG3 GLN A 71 59.464 27.029 116.071 1.00 0.00 H new ATOM 0 HE21 GLN A 71 57.967 25.484 115.023 1.00 0.00 H new ATOM 0 HE22 GLN A 71 56.275 25.919 114.763 1.00 0.00 H new ATOM 46 N HIS A 72 58.676 28.088 120.586 1.00 0.00 N ATOM 47 CA HIS A 72 58.500 29.367 121.233 1.00 0.00 C ATOM 48 C HIS A 72 57.323 29.261 122.143 1.00 0.00 C ATOM 49 O HIS A 72 56.415 28.474 121.885 1.00 0.00 O ATOM 50 CB HIS A 72 58.210 30.525 120.256 1.00 0.00 C ATOM 51 CG HIS A 72 58.031 31.859 120.927 1.00 0.00 C ATOM 52 ND1 HIS A 72 58.971 32.440 121.751 1.00 0.00 N ATOM 53 CD2 HIS A 72 56.998 32.741 120.868 1.00 0.00 C ATOM 54 CE1 HIS A 72 58.460 33.632 122.148 1.00 0.00 C ATOM 55 NE2 HIS A 72 57.265 33.860 121.638 1.00 0.00 N ATOM 0 H HIS A 72 58.038 27.351 120.885 1.00 0.00 H new ATOM 0 HA HIS A 72 59.434 29.592 121.748 1.00 0.00 H new ATOM 0 HB2 HIS A 72 59.029 30.597 119.540 1.00 0.00 H new ATOM 0 HB3 HIS A 72 57.309 30.291 119.688 1.00 0.00 H new ATOM 0 HD1 HIS A 72 59.876 32.049 122.012 1.00 0.00 H new ATOM 0 HD2 HIS A 72 56.093 32.589 120.298 1.00 0.00 H new ATOM 0 HE1 HIS A 72 58.973 34.317 122.807 1.00 0.00 H new ATOM 63 N LEU A 73 57.314 30.039 123.249 1.00 0.00 N ATOM 64 CA LEU A 73 56.180 29.960 124.126 1.00 0.00 C ATOM 65 C LEU A 73 56.084 31.220 124.937 1.00 0.00 C ATOM 66 O LEU A 73 57.020 31.589 125.645 1.00 0.00 O ATOM 67 CB LEU A 73 56.276 28.778 125.109 1.00 0.00 C ATOM 68 CG LEU A 73 55.042 28.635 126.013 1.00 0.00 C ATOM 69 CD1 LEU A 73 53.785 28.361 125.173 1.00 0.00 C ATOM 70 CD2 LEU A 73 55.277 27.584 127.112 1.00 0.00 C ATOM 0 H LEU A 73 58.050 30.689 123.526 1.00 0.00 H new ATOM 0 HA LEU A 73 55.303 29.819 123.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 56.413 27.856 124.544 1.00 0.00 H new ATOM 0 HB3 LEU A 73 57.161 28.904 125.732 1.00 0.00 H new ATOM 0 HG LEU A 73 54.873 29.579 126.530 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.922 28.263 125.831 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.622 29.188 124.482 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.918 27.438 124.609 1.00 0.00 H new ATOM 0 HD21 LEU A 73 54.387 27.505 127.736 1.00 0.00 H new ATOM 0 HD22 LEU A 73 55.485 26.618 126.653 1.00 0.00 H new ATOM 0 HD23 LEU A 73 56.126 27.884 127.727 1.00 0.00 H new ATOM 82 N ASN A 74 54.924 31.913 124.857 1.00 0.00 N ATOM 83 CA ASN A 74 54.698 33.097 125.647 1.00 0.00 C ATOM 84 C ASN A 74 53.914 32.643 126.834 1.00 0.00 C ATOM 85 O ASN A 74 52.935 31.913 126.691 1.00 0.00 O ATOM 86 CB ASN A 74 53.820 34.163 124.968 1.00 0.00 C ATOM 87 CG ASN A 74 54.555 34.744 123.771 1.00 0.00 C ATOM 88 OD1 ASN A 74 53.932 35.124 122.785 1.00 0.00 O ATOM 89 ND2 ASN A 74 55.908 34.823 123.847 1.00 0.00 N ATOM 0 H ASN A 74 54.146 31.656 124.249 1.00 0.00 H new ATOM 0 HA ASN A 74 55.671 33.546 125.849 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.876 33.721 124.648 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.577 34.954 125.677 1.00 0.00 H new ATOM 0 HD21 ASN A 74 56.441 35.209 123.067 1.00 0.00 H new ATOM 0 HD22 ASN A 74 56.392 34.497 124.684 1.00 0.00 H new ATOM 96 N VAL A 75 54.318 33.048 128.052 1.00 0.00 N ATOM 97 CA VAL A 75 53.547 32.560 129.160 1.00 0.00 C ATOM 98 C VAL A 75 53.011 33.703 129.967 1.00 0.00 C ATOM 99 O VAL A 75 53.756 34.548 130.460 1.00 0.00 O ATOM 100 CB VAL A 75 54.331 31.672 130.079 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.412 31.244 131.235 1.00 0.00 C ATOM 102 CG2 VAL A 75 54.878 30.494 129.255 1.00 0.00 C ATOM 0 H VAL A 75 55.107 33.659 128.265 1.00 0.00 H new ATOM 0 HA VAL A 75 52.739 31.973 128.723 1.00 0.00 H new ATOM 0 HB VAL A 75 55.188 32.178 130.524 1.00 0.00 H new ATOM 0 HG11 VAL A 75 53.963 30.596 131.917 1.00 0.00 H new ATOM 0 HG12 VAL A 75 53.068 32.128 131.772 1.00 0.00 H new ATOM 0 HG13 VAL A 75 52.553 30.704 130.836 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.453 29.833 129.903 1.00 0.00 H new ATOM 0 HG22 VAL A 75 54.048 29.940 128.816 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.521 30.873 128.461 1.00 0.00 H new ATOM 112 N ASN A 76 51.673 33.747 130.131 1.00 0.00 N ATOM 113 CA ASN A 76 51.082 34.779 130.931 1.00 0.00 C ATOM 114 C ASN A 76 50.310 34.110 132.028 1.00 0.00 C ATOM 115 O ASN A 76 49.487 33.232 131.774 1.00 0.00 O ATOM 116 CB ASN A 76 50.081 35.672 130.159 1.00 0.00 C ATOM 117 CG ASN A 76 50.823 36.649 129.247 1.00 0.00 C ATOM 118 OD1 ASN A 76 51.707 37.383 129.686 1.00 0.00 O ATOM 119 ND2 ASN A 76 50.441 36.673 127.941 1.00 0.00 N ATOM 0 H ASN A 76 51.014 33.085 129.721 1.00 0.00 H new ATOM 0 HA ASN A 76 51.893 35.417 131.283 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.412 35.049 129.565 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.460 36.225 130.864 1.00 0.00 H new ATOM 0 HD21 ASN A 76 50.892 37.315 127.289 1.00 0.00 H new ATOM 0 HD22 ASN A 76 49.704 36.049 127.614 1.00 0.00 H new ATOM 126 N VAL A 77 50.580 34.474 133.298 1.00 0.00 N ATOM 127 CA VAL A 77 49.759 33.922 134.337 1.00 0.00 C ATOM 128 C VAL A 77 49.084 35.076 135.024 1.00 0.00 C ATOM 129 O VAL A 77 49.699 35.799 135.808 1.00 0.00 O ATOM 130 CB VAL A 77 50.521 33.121 135.350 1.00 0.00 C ATOM 131 CG1 VAL A 77 49.548 32.678 136.456 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.212 31.956 134.613 1.00 0.00 C ATOM 0 H VAL A 77 51.319 35.111 133.596 1.00 0.00 H new ATOM 0 HA VAL A 77 49.052 33.230 133.880 1.00 0.00 H new ATOM 0 HB VAL A 77 51.305 33.697 135.842 1.00 0.00 H new ATOM 0 HG11 VAL A 77 50.087 32.094 137.202 1.00 0.00 H new ATOM 0 HG12 VAL A 77 49.111 33.557 136.930 1.00 0.00 H new ATOM 0 HG13 VAL A 77 48.756 32.069 136.021 1.00 0.00 H new ATOM 0 HG21 VAL A 77 51.775 31.356 135.328 1.00 0.00 H new ATOM 0 HG22 VAL A 77 50.459 31.333 134.130 1.00 0.00 H new ATOM 0 HG23 VAL A 77 51.891 32.354 133.859 1.00 0.00 H new ATOM 142 N LEU A 78 47.784 35.288 134.725 1.00 0.00 N ATOM 143 CA LEU A 78 47.036 36.359 135.327 1.00 0.00 C ATOM 144 C LEU A 78 45.584 35.992 135.318 1.00 0.00 C ATOM 145 O LEU A 78 45.198 34.930 134.832 1.00 0.00 O ATOM 146 CB LEU A 78 47.062 37.695 134.555 1.00 0.00 C ATOM 147 CG LEU A 78 48.427 38.388 134.437 1.00 0.00 C ATOM 148 CD1 LEU A 78 49.380 37.600 133.528 1.00 0.00 C ATOM 149 CD2 LEU A 78 48.268 39.856 134.001 1.00 0.00 C ATOM 0 H LEU A 78 47.251 34.719 134.067 1.00 0.00 H new ATOM 0 HA LEU A 78 47.495 36.490 136.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.681 37.516 133.549 1.00 0.00 H new ATOM 0 HB3 LEU A 78 46.370 38.383 135.040 1.00 0.00 H new ATOM 0 HG LEU A 78 48.887 38.402 135.425 1.00 0.00 H new ATOM 0 HD11 LEU A 78 50.337 38.119 133.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 49.534 36.603 133.940 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.947 37.518 132.531 1.00 0.00 H new ATOM 0 HD21 LEU A 78 49.251 40.322 133.926 1.00 0.00 H new ATOM 0 HD22 LEU A 78 47.772 39.896 133.031 1.00 0.00 H new ATOM 0 HD23 LEU A 78 47.668 40.391 134.737 1.00 0.00 H new ATOM 161 N ARG A 79 44.740 36.885 135.882 1.00 0.00 N ATOM 162 CA ARG A 79 43.313 36.710 135.852 1.00 0.00 C ATOM 163 C ARG A 79 42.764 37.828 135.032 1.00 0.00 C ATOM 164 O ARG A 79 43.298 38.939 135.024 1.00 0.00 O ATOM 165 CB ARG A 79 42.612 36.765 137.220 1.00 0.00 C ATOM 166 CG ARG A 79 42.955 35.566 138.101 1.00 0.00 C ATOM 167 CD ARG A 79 44.337 35.684 138.735 1.00 0.00 C ATOM 168 NE ARG A 79 44.775 34.315 139.112 1.00 0.00 N ATOM 169 CZ ARG A 79 45.990 34.149 139.710 1.00 0.00 C ATOM 170 NH1 ARG A 79 46.772 35.241 139.949 1.00 0.00 N ATOM 171 NH2 ARG A 79 46.419 32.904 140.066 1.00 0.00 N ATOM 0 H ARG A 79 45.048 37.732 136.361 1.00 0.00 H new ATOM 0 HA ARG A 79 43.128 35.712 135.455 1.00 0.00 H new ATOM 0 HB2 ARG A 79 42.897 37.683 137.734 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.533 36.805 137.070 1.00 0.00 H new ATOM 0 HG2 ARG A 79 42.205 35.470 138.886 1.00 0.00 H new ATOM 0 HG3 ARG A 79 42.909 34.655 137.504 1.00 0.00 H new ATOM 0 HD2 ARG A 79 45.042 36.133 138.036 1.00 0.00 H new ATOM 0 HD3 ARG A 79 44.302 36.330 139.612 1.00 0.00 H new ATOM 0 HE ARG A 79 44.176 33.511 138.926 1.00 0.00 H new ATOM 0 HH11 ARG A 79 46.447 36.170 139.681 1.00 0.00 H new ATOM 0 HH12 ARG A 79 47.682 35.129 140.396 1.00 0.00 H new ATOM 0 HH21 ARG A 79 45.830 32.091 139.885 1.00 0.00 H new ATOM 0 HH22 ARG A 79 47.328 32.786 140.513 1.00 0.00 H new ATOM 185 N ARG A 80 41.671 37.554 134.307 1.00 0.00 N ATOM 186 CA ARG A 80 41.132 38.526 133.404 1.00 0.00 C ATOM 187 C ARG A 80 40.619 39.713 134.161 1.00 0.00 C ATOM 188 O ARG A 80 40.714 40.844 133.687 1.00 0.00 O ATOM 189 CB ARG A 80 40.033 37.960 132.494 1.00 0.00 C ATOM 190 CG ARG A 80 39.746 38.866 131.298 1.00 0.00 C ATOM 191 CD ARG A 80 38.717 38.289 130.335 1.00 0.00 C ATOM 192 NE ARG A 80 37.385 38.470 130.965 1.00 0.00 N ATOM 193 CZ ARG A 80 36.289 38.562 130.160 1.00 0.00 C ATOM 194 NH1 ARG A 80 36.436 38.451 128.808 1.00 0.00 N ATOM 195 NH2 ARG A 80 35.056 38.771 130.705 1.00 0.00 N ATOM 0 H ARG A 80 41.162 36.671 134.341 1.00 0.00 H new ATOM 0 HA ARG A 80 41.950 38.832 132.752 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.332 36.975 132.137 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.119 37.825 133.073 1.00 0.00 H new ATOM 0 HG2 ARG A 80 39.393 39.832 131.660 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.675 39.048 130.758 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.761 38.799 129.372 1.00 0.00 H new ATOM 0 HD3 ARG A 80 38.914 37.234 130.146 1.00 0.00 H new ATOM 0 HE ARG A 80 37.292 38.524 131.979 1.00 0.00 H new ATOM 0 HH11 ARG A 80 37.361 38.300 128.406 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.621 38.519 128.199 1.00 0.00 H new ATOM 0 HH21 ARG A 80 34.953 38.859 131.716 1.00 0.00 H new ATOM 0 HH22 ARG A 80 34.237 38.840 130.101 1.00 0.00 H new ATOM 209 N GLU A 81 40.074 39.494 135.372 1.00 0.00 N ATOM 210 CA GLU A 81 39.472 40.560 136.124 1.00 0.00 C ATOM 211 C GLU A 81 40.516 41.588 136.450 1.00 0.00 C ATOM 212 O GLU A 81 40.231 42.785 136.483 1.00 0.00 O ATOM 213 CB GLU A 81 38.823 40.070 137.430 1.00 0.00 C ATOM 214 CG GLU A 81 37.726 39.018 137.215 1.00 0.00 C ATOM 215 CD GLU A 81 38.391 37.648 137.170 1.00 0.00 C ATOM 216 OE1 GLU A 81 38.767 37.142 138.262 1.00 0.00 O ATOM 217 OE2 GLU A 81 38.542 37.090 136.049 1.00 0.00 O ATOM 0 H GLU A 81 40.048 38.584 135.832 1.00 0.00 H new ATOM 0 HA GLU A 81 38.683 40.988 135.506 1.00 0.00 H new ATOM 0 HB2 GLU A 81 39.595 39.651 138.074 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.397 40.924 137.957 1.00 0.00 H new ATOM 0 HG2 GLU A 81 36.994 39.060 138.022 1.00 0.00 H new ATOM 0 HG3 GLU A 81 37.189 39.212 136.287 1.00 0.00 H new ATOM 224 N THR A 82 41.764 41.153 136.696 1.00 0.00 N ATOM 225 CA THR A 82 42.788 42.094 137.047 1.00 0.00 C ATOM 226 C THR A 82 42.997 43.045 135.904 1.00 0.00 C ATOM 227 O THR A 82 43.231 44.233 136.116 1.00 0.00 O ATOM 228 CB THR A 82 44.106 41.456 137.352 1.00 0.00 C ATOM 229 OG1 THR A 82 44.624 40.820 136.195 1.00 0.00 O ATOM 230 CG2 THR A 82 43.890 40.426 138.471 1.00 0.00 C ATOM 0 H THR A 82 42.062 40.178 136.655 1.00 0.00 H new ATOM 0 HA THR A 82 42.443 42.599 137.949 1.00 0.00 H new ATOM 0 HB THR A 82 44.823 42.212 137.670 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.918 40.290 135.769 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.839 39.946 138.712 1.00 0.00 H new ATOM 0 HG22 THR A 82 43.502 40.928 139.357 1.00 0.00 H new ATOM 0 HG23 THR A 82 43.176 39.672 138.139 1.00 0.00 H new ATOM 238 N LEU A 83 42.934 42.535 134.660 1.00 0.00 N ATOM 239 CA LEU A 83 43.099 43.333 133.474 1.00 0.00 C ATOM 240 C LEU A 83 42.006 44.355 133.433 1.00 0.00 C ATOM 241 O LEU A 83 42.236 45.514 133.091 1.00 0.00 O ATOM 242 CB LEU A 83 42.907 42.523 132.178 1.00 0.00 C ATOM 243 CG LEU A 83 43.989 41.466 131.900 1.00 0.00 C ATOM 244 CD1 LEU A 83 43.704 40.714 130.590 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.395 42.090 131.920 1.00 0.00 C ATOM 0 H LEU A 83 42.765 41.547 134.469 1.00 0.00 H new ATOM 0 HA LEU A 83 44.107 43.746 133.520 1.00 0.00 H new ATOM 0 HB2 LEU A 83 41.938 42.026 132.220 1.00 0.00 H new ATOM 0 HB3 LEU A 83 42.874 43.216 131.337 1.00 0.00 H new ATOM 0 HG LEU A 83 43.959 40.730 132.703 1.00 0.00 H new ATOM 0 HD11 LEU A 83 44.485 39.973 130.419 1.00 0.00 H new ATOM 0 HD12 LEU A 83 42.738 40.214 130.660 1.00 0.00 H new ATOM 0 HD13 LEU A 83 43.687 41.421 129.761 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.138 41.318 131.720 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.461 42.864 131.155 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.584 42.531 132.899 1.00 0.00 H new ATOM 257 N GLU A 84 40.771 43.937 133.770 1.00 0.00 N ATOM 258 CA GLU A 84 39.661 44.842 133.733 1.00 0.00 C ATOM 259 C GLU A 84 39.920 45.939 134.717 1.00 0.00 C ATOM 260 O GLU A 84 39.599 47.096 134.457 1.00 0.00 O ATOM 261 CB GLU A 84 38.316 44.175 134.070 1.00 0.00 C ATOM 262 CG GLU A 84 37.163 45.172 134.218 1.00 0.00 C ATOM 263 CD GLU A 84 36.998 45.962 132.926 1.00 0.00 C ATOM 264 OE1 GLU A 84 37.481 45.495 131.860 1.00 0.00 O ATOM 265 OE2 GLU A 84 36.379 47.058 132.997 1.00 0.00 O ATOM 0 H GLU A 84 40.542 42.987 134.064 1.00 0.00 H new ATOM 0 HA GLU A 84 39.578 45.217 132.713 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.068 43.458 133.287 1.00 0.00 H new ATOM 0 HB3 GLU A 84 38.421 43.611 134.997 1.00 0.00 H new ATOM 0 HG2 GLU A 84 36.239 44.642 134.452 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.361 45.851 135.048 1.00 0.00 H new ATOM 272 N ASP A 85 40.508 45.594 135.878 1.00 0.00 N ATOM 273 CA ASP A 85 40.839 46.544 136.905 1.00 0.00 C ATOM 274 C ASP A 85 41.872 47.495 136.374 1.00 0.00 C ATOM 275 O ASP A 85 41.825 48.697 136.637 1.00 0.00 O ATOM 276 CB ASP A 85 41.438 45.838 138.136 1.00 0.00 C ATOM 277 CG ASP A 85 41.842 46.871 139.172 1.00 0.00 C ATOM 278 OD1 ASP A 85 41.341 48.024 139.109 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.673 46.508 140.048 1.00 0.00 O ATOM 0 H ASP A 85 40.761 44.634 136.112 1.00 0.00 H new ATOM 0 HA ASP A 85 39.927 47.067 137.194 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.710 45.148 138.562 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.304 45.246 137.842 1.00 0.00 H new ATOM 284 N ALA A 86 42.835 46.959 135.599 1.00 0.00 N ATOM 285 CA ALA A 86 43.923 47.706 135.036 1.00 0.00 C ATOM 286 C ALA A 86 43.390 48.729 134.090 1.00 0.00 C ATOM 287 O ALA A 86 43.907 49.841 134.003 1.00 0.00 O ATOM 288 CB ALA A 86 44.885 46.823 134.225 1.00 0.00 C ATOM 0 H ALA A 86 42.858 45.969 135.355 1.00 0.00 H new ATOM 0 HA ALA A 86 44.457 48.152 135.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.690 47.437 133.821 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.306 46.054 134.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.343 46.351 133.406 1.00 0.00 H new ATOM 294 N VAL A 87 42.348 48.363 133.323 1.00 0.00 N ATOM 295 CA VAL A 87 41.802 49.270 132.360 1.00 0.00 C ATOM 296 C VAL A 87 41.221 50.449 133.085 1.00 0.00 C ATOM 297 O VAL A 87 41.331 51.582 132.614 1.00 0.00 O ATOM 298 CB VAL A 87 40.740 48.639 131.522 1.00 0.00 C ATOM 299 CG1 VAL A 87 40.225 49.702 130.535 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.324 47.367 130.876 1.00 0.00 C ATOM 0 H VAL A 87 41.889 47.453 133.367 1.00 0.00 H new ATOM 0 HA VAL A 87 42.608 49.575 131.692 1.00 0.00 H new ATOM 0 HB VAL A 87 39.873 48.308 132.094 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.446 49.269 129.908 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.816 50.546 131.090 1.00 0.00 H new ATOM 0 HG13 VAL A 87 41.048 50.045 129.907 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.563 46.890 130.259 1.00 0.00 H new ATOM 0 HG22 VAL A 87 42.180 47.634 130.256 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.643 46.676 131.656 1.00 0.00 H new ATOM 310 N LYS A 88 40.545 50.205 134.230 1.00 0.00 N ATOM 311 CA LYS A 88 39.982 51.254 135.037 1.00 0.00 C ATOM 312 C LYS A 88 41.064 52.117 135.633 1.00 0.00 C ATOM 313 O LYS A 88 41.031 53.337 135.477 1.00 0.00 O ATOM 314 CB LYS A 88 39.174 50.715 136.234 1.00 0.00 C ATOM 315 CG LYS A 88 38.599 51.817 137.129 1.00 0.00 C ATOM 316 CD LYS A 88 37.620 51.316 138.192 1.00 0.00 C ATOM 317 CE LYS A 88 36.816 52.439 138.850 1.00 0.00 C ATOM 318 NZ LYS A 88 35.941 53.083 137.843 1.00 0.00 N ATOM 0 H LYS A 88 40.387 49.268 134.601 1.00 0.00 H new ATOM 0 HA LYS A 88 39.335 51.814 134.362 1.00 0.00 H new ATOM 0 HB2 LYS A 88 38.357 50.097 135.862 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.815 50.069 136.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 39.422 52.334 137.624 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.093 52.551 136.502 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.932 50.605 137.736 1.00 0.00 H new ATOM 0 HD3 LYS A 88 38.173 50.776 138.960 1.00 0.00 H new ATOM 0 HE2 LYS A 88 36.214 52.039 139.666 1.00 0.00 H new ATOM 0 HE3 LYS A 88 37.491 53.176 139.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 35.163 53.577 138.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 36.495 53.767 137.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 35.551 52.358 137.208 1.00 0.00 H new ATOM 332 N HIS A 89 42.063 51.513 136.320 1.00 0.00 N ATOM 333 CA HIS A 89 43.060 52.328 136.970 1.00 0.00 C ATOM 334 C HIS A 89 44.428 51.978 136.473 1.00 0.00 C ATOM 335 O HIS A 89 45.053 51.022 136.924 1.00 0.00 O ATOM 336 CB HIS A 89 43.117 52.156 138.495 1.00 0.00 C ATOM 337 CG HIS A 89 41.944 52.779 139.177 1.00 0.00 C ATOM 338 ND1 HIS A 89 41.795 54.135 139.355 1.00 0.00 N ATOM 339 CD2 HIS A 89 40.837 52.207 139.727 1.00 0.00 C ATOM 340 CE1 HIS A 89 40.619 54.318 139.999 1.00 0.00 C ATOM 341 NE2 HIS A 89 39.999 53.177 140.246 1.00 0.00 N ATOM 0 H HIS A 89 42.180 50.505 136.424 1.00 0.00 H new ATOM 0 HA HIS A 89 42.768 53.351 136.734 1.00 0.00 H new ATOM 0 HB2 HIS A 89 43.155 51.094 138.738 1.00 0.00 H new ATOM 0 HB3 HIS A 89 44.036 52.603 138.875 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.641 51.145 139.754 1.00 0.00 H new ATOM 0 HE1 HIS A 89 40.231 55.286 140.279 1.00 0.00 H new ATOM 0 HE2 HIS A 89 39.103 53.042 140.715 1.00 0.00 H new ATOM 349 N PRO A 90 44.881 52.756 135.534 1.00 0.00 N ATOM 350 CA PRO A 90 46.190 52.553 134.974 1.00 0.00 C ATOM 351 C PRO A 90 47.349 52.883 135.872 1.00 0.00 C ATOM 352 O PRO A 90 48.380 52.223 135.771 1.00 0.00 O ATOM 353 CB PRO A 90 46.206 53.322 133.657 1.00 0.00 C ATOM 354 CG PRO A 90 44.728 53.323 133.232 1.00 0.00 C ATOM 355 CD PRO A 90 43.955 53.300 134.558 1.00 0.00 C ATOM 0 HA PRO A 90 46.349 51.485 134.822 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.588 54.335 133.787 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.838 52.835 132.914 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.483 54.207 132.644 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.490 52.455 132.617 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.630 54.301 134.841 1.00 0.00 H new ATOM 0 HD3 PRO A 90 43.059 52.684 134.480 1.00 0.00 H new ATOM 363 N GLU A 91 47.207 53.881 136.767 1.00 0.00 N ATOM 364 CA GLU A 91 48.306 54.303 137.595 1.00 0.00 C ATOM 365 C GLU A 91 48.662 53.179 138.518 1.00 0.00 C ATOM 366 O GLU A 91 49.797 53.075 138.979 1.00 0.00 O ATOM 367 CB GLU A 91 48.014 55.558 138.439 1.00 0.00 C ATOM 368 CG GLU A 91 47.636 56.793 137.610 1.00 0.00 C ATOM 369 CD GLU A 91 48.724 57.109 136.583 1.00 0.00 C ATOM 370 OE1 GLU A 91 49.929 57.060 136.946 1.00 0.00 O ATOM 371 OE2 GLU A 91 48.358 57.409 135.414 1.00 0.00 O ATOM 0 H GLU A 91 46.339 54.395 136.919 1.00 0.00 H new ATOM 0 HA GLU A 91 49.123 54.565 136.922 1.00 0.00 H new ATOM 0 HB2 GLU A 91 47.203 55.336 139.133 1.00 0.00 H new ATOM 0 HB3 GLU A 91 48.893 55.792 139.040 1.00 0.00 H new ATOM 0 HG2 GLU A 91 46.688 56.619 137.101 1.00 0.00 H new ATOM 0 HG3 GLU A 91 47.491 57.649 138.269 1.00 0.00 H new ATOM 378 N LYS A 92 47.672 52.330 138.842 1.00 0.00 N ATOM 379 CA LYS A 92 47.843 51.210 139.720 1.00 0.00 C ATOM 380 C LYS A 92 48.823 50.224 139.145 1.00 0.00 C ATOM 381 O LYS A 92 49.597 49.632 139.896 1.00 0.00 O ATOM 382 CB LYS A 92 46.530 50.439 139.929 1.00 0.00 C ATOM 383 CG LYS A 92 46.671 49.197 140.809 1.00 0.00 C ATOM 384 CD LYS A 92 45.362 48.434 141.029 1.00 0.00 C ATOM 385 CE LYS A 92 44.696 48.723 142.374 1.00 0.00 C ATOM 386 NZ LYS A 92 43.612 47.748 142.626 1.00 0.00 N ATOM 0 H LYS A 92 46.722 52.423 138.483 1.00 0.00 H new ATOM 0 HA LYS A 92 48.197 51.623 140.664 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.795 51.108 140.378 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.137 50.140 138.957 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.399 48.524 140.355 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.072 49.495 141.778 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.667 48.686 140.229 1.00 0.00 H new ATOM 0 HD3 LYS A 92 45.559 47.365 140.954 1.00 0.00 H new ATOM 0 HE2 LYS A 92 45.435 48.671 143.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.293 49.736 142.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 42.807 48.232 143.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.307 47.327 141.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 43.959 46.999 143.258 1.00 0.00 H new ATOM 400 N TYR A 93 48.805 49.977 137.816 1.00 0.00 N ATOM 401 CA TYR A 93 49.710 48.981 137.298 1.00 0.00 C ATOM 402 C TYR A 93 50.689 49.621 136.362 1.00 0.00 C ATOM 403 O TYR A 93 50.563 49.484 135.143 1.00 0.00 O ATOM 404 CB TYR A 93 48.997 47.921 136.443 1.00 0.00 C ATOM 405 CG TYR A 93 47.975 47.235 137.277 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.764 47.834 137.534 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.230 45.986 137.791 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.814 47.191 138.295 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.286 45.341 138.554 1.00 0.00 C ATOM 410 CZ TYR A 93 46.084 45.947 138.813 1.00 0.00 C ATOM 411 OH TYR A 93 45.120 45.279 139.598 1.00 0.00 O ATOM 0 H TYR A 93 48.203 50.435 137.132 1.00 0.00 H new ATOM 0 HA TYR A 93 50.176 48.525 138.172 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.526 48.389 135.579 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.718 47.198 136.061 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.557 48.816 137.136 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.178 45.508 137.594 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.861 47.662 138.484 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.491 44.357 138.949 1.00 0.00 H new ATOM 0 HH TYR A 93 44.315 45.833 139.669 1.00 0.00 H new ATOM 421 N PRO A 94 51.681 50.282 136.864 1.00 0.00 N ATOM 422 CA PRO A 94 52.666 50.905 136.023 1.00 0.00 C ATOM 423 C PRO A 94 53.561 49.945 135.301 1.00 0.00 C ATOM 424 O PRO A 94 53.953 50.244 134.173 1.00 0.00 O ATOM 425 CB PRO A 94 53.428 51.881 136.920 1.00 0.00 C ATOM 426 CG PRO A 94 53.023 51.492 138.355 1.00 0.00 C ATOM 427 CD PRO A 94 51.631 50.869 138.189 1.00 0.00 C ATOM 0 HA PRO A 94 52.176 51.425 135.200 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.505 51.794 136.775 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.159 52.914 136.699 1.00 0.00 H new ATOM 0 HG2 PRO A 94 53.728 50.784 138.791 1.00 0.00 H new ATOM 0 HG3 PRO A 94 52.996 52.361 139.012 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.433 50.118 138.954 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.843 51.619 138.267 1.00 0.00 H new ATOM 435 N GLN A 95 53.894 48.791 135.908 1.00 0.00 N ATOM 436 CA GLN A 95 54.855 47.926 135.289 1.00 0.00 C ATOM 437 C GLN A 95 54.147 46.694 134.839 1.00 0.00 C ATOM 438 O GLN A 95 54.768 45.648 134.670 1.00 0.00 O ATOM 439 CB GLN A 95 55.904 47.424 136.290 1.00 0.00 C ATOM 440 CG GLN A 95 56.659 48.534 137.023 1.00 0.00 C ATOM 441 CD GLN A 95 57.700 49.124 136.087 1.00 0.00 C ATOM 442 OE1 GLN A 95 57.522 49.149 134.871 1.00 0.00 O ATOM 443 NE2 GLN A 95 58.823 49.616 136.676 1.00 0.00 N ATOM 0 H GLN A 95 53.515 48.463 136.796 1.00 0.00 H new ATOM 0 HA GLN A 95 55.329 48.491 134.486 1.00 0.00 H new ATOM 0 HB2 GLN A 95 55.411 46.789 137.026 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.624 46.800 135.761 1.00 0.00 H new ATOM 0 HG2 GLN A 95 55.965 49.308 137.351 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.139 48.136 137.917 1.00 0.00 H new ATOM 0 HE21 GLN A 95 58.927 49.574 137.690 1.00 0.00 H new ATOM 0 HE22 GLN A 95 59.561 50.027 136.104 1.00 0.00 H new ATOM 452 N LEU A 96 52.833 46.796 134.592 1.00 0.00 N ATOM 453 CA LEU A 96 52.071 45.650 134.202 1.00 0.00 C ATOM 454 C LEU A 96 52.548 45.262 132.835 1.00 0.00 C ATOM 455 O LEU A 96 52.523 46.080 131.917 1.00 0.00 O ATOM 456 CB LEU A 96 50.569 46.013 134.117 1.00 0.00 C ATOM 457 CG LEU A 96 49.542 44.884 133.870 1.00 0.00 C ATOM 458 CD1 LEU A 96 49.762 44.183 132.526 1.00 0.00 C ATOM 459 CD2 LEU A 96 49.432 43.935 135.070 1.00 0.00 C ATOM 0 H LEU A 96 52.299 47.662 134.661 1.00 0.00 H new ATOM 0 HA LEU A 96 52.195 44.843 134.924 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.296 46.509 135.048 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.451 46.746 133.319 1.00 0.00 H new ATOM 0 HG LEU A 96 48.559 45.346 133.784 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.016 43.398 132.399 1.00 0.00 H new ATOM 0 HD12 LEU A 96 49.667 44.908 131.718 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.759 43.743 132.504 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.700 43.157 134.853 1.00 0.00 H new ATOM 0 HD22 LEU A 96 50.402 43.476 135.261 1.00 0.00 H new ATOM 0 HD23 LEU A 96 49.116 44.496 135.950 1.00 0.00 H new ATOM 471 N THR A 97 52.990 43.995 132.662 1.00 0.00 N ATOM 472 CA THR A 97 53.509 43.541 131.399 1.00 0.00 C ATOM 473 C THR A 97 52.799 42.287 130.991 1.00 0.00 C ATOM 474 O THR A 97 52.472 41.448 131.827 1.00 0.00 O ATOM 475 CB THR A 97 54.966 43.185 131.447 1.00 0.00 C ATOM 476 OG1 THR A 97 55.751 44.335 131.724 1.00 0.00 O ATOM 477 CG2 THR A 97 55.374 42.528 130.116 1.00 0.00 C ATOM 0 H THR A 97 52.988 43.286 133.396 1.00 0.00 H new ATOM 0 HA THR A 97 53.361 44.368 130.705 1.00 0.00 H new ATOM 0 HB THR A 97 55.142 42.472 132.253 1.00 0.00 H new ATOM 0 HG1 THR A 97 55.460 44.734 132.571 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.432 42.268 130.148 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.783 41.625 129.960 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.196 43.225 129.297 1.00 0.00 H new ATOM 485 N ILE A 98 52.530 42.136 129.675 1.00 0.00 N ATOM 486 CA ILE A 98 51.870 40.949 129.196 1.00 0.00 C ATOM 487 C ILE A 98 52.453 40.565 127.864 1.00 0.00 C ATOM 488 O ILE A 98 52.972 41.416 127.141 1.00 0.00 O ATOM 489 CB ILE A 98 50.388 41.114 129.001 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.080 42.170 127.932 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.746 41.428 130.362 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.609 42.168 127.521 1.00 0.00 C ATOM 0 H ILE A 98 52.763 42.819 128.955 1.00 0.00 H new ATOM 0 HA ILE A 98 52.026 40.189 129.961 1.00 0.00 H new ATOM 0 HB ILE A 98 49.954 40.188 128.625 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.347 43.156 128.311 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.700 41.987 127.055 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.670 41.551 130.237 1.00 0.00 H new ATOM 0 HG22 ILE A 98 49.940 40.608 131.054 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.172 42.348 130.762 1.00 0.00 H new ATOM 0 HD11 ILE A 98 48.442 42.933 126.763 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.346 41.191 127.115 1.00 0.00 H new ATOM 0 HD13 ILE A 98 47.988 42.379 128.391 1.00 0.00 H new ATOM 504 N ARG A 99 52.385 39.257 127.513 1.00 0.00 N ATOM 505 CA ARG A 99 52.904 38.780 126.252 1.00 0.00 C ATOM 506 C ARG A 99 51.757 38.796 125.282 1.00 0.00 C ATOM 507 O ARG A 99 50.748 38.130 125.502 1.00 0.00 O ATOM 508 CB ARG A 99 53.403 37.323 126.295 1.00 0.00 C ATOM 509 CG ARG A 99 54.496 37.032 127.328 1.00 0.00 C ATOM 510 CD ARG A 99 55.806 37.789 127.112 1.00 0.00 C ATOM 511 NE ARG A 99 56.222 37.604 125.691 1.00 0.00 N ATOM 512 CZ ARG A 99 57.518 37.829 125.330 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.465 38.065 126.283 1.00 0.00 N ATOM 514 NH2 ARG A 99 57.872 37.838 124.012 1.00 0.00 N ATOM 0 H ARG A 99 51.972 38.532 128.099 1.00 0.00 H new ATOM 0 HA ARG A 99 53.746 39.418 125.983 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.553 36.672 126.498 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.780 37.057 125.308 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.112 37.275 128.319 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.706 35.963 127.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.674 38.848 127.335 1.00 0.00 H new ATOM 0 HD3 ARG A 99 56.577 37.415 127.786 1.00 0.00 H new ATOM 0 HE ARG A 99 55.540 37.310 124.992 1.00 0.00 H new ATOM 0 HH11 ARG A 99 58.205 38.074 127.269 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.433 38.233 126.009 1.00 0.00 H new ATOM 0 HH21 ARG A 99 57.167 37.676 123.293 1.00 0.00 H new ATOM 0 HH22 ARG A 99 58.842 38.007 123.746 1.00 0.00 H new ATOM 528 N VAL A 100 51.828 39.670 124.257 1.00 0.00 N ATOM 529 CA VAL A 100 50.796 39.767 123.259 1.00 0.00 C ATOM 530 C VAL A 100 50.919 38.856 122.069 1.00 0.00 C ATOM 531 O VAL A 100 49.908 38.318 121.616 1.00 0.00 O ATOM 532 CB VAL A 100 50.576 41.174 122.806 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.015 41.957 124.008 1.00 0.00 C ATOM 534 CG2 VAL A 100 51.901 41.730 122.269 1.00 0.00 C ATOM 0 H VAL A 100 52.606 40.315 124.117 1.00 0.00 H new ATOM 0 HA VAL A 100 49.920 39.406 123.798 1.00 0.00 H new ATOM 0 HB VAL A 100 49.857 41.253 121.991 1.00 0.00 H new ATOM 0 HG11 VAL A 100 49.840 42.993 123.718 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.076 41.507 124.329 1.00 0.00 H new ATOM 0 HG13 VAL A 100 50.732 41.926 124.829 1.00 0.00 H new ATOM 0 HG21 VAL A 100 51.756 42.757 121.934 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.651 41.709 123.059 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.239 41.120 121.431 1.00 0.00 H new ATOM 544 N SER A 101 52.128 38.699 121.475 1.00 0.00 N ATOM 545 CA SER A 101 52.202 37.822 120.337 1.00 0.00 C ATOM 546 C SER A 101 53.645 37.616 119.950 1.00 0.00 C ATOM 547 O SER A 101 54.012 37.704 118.777 1.00 0.00 O ATOM 548 CB SER A 101 51.467 38.380 119.106 1.00 0.00 C ATOM 549 OG SER A 101 51.565 37.471 118.018 1.00 0.00 O ATOM 0 H SER A 101 52.999 39.147 121.759 1.00 0.00 H new ATOM 0 HA SER A 101 51.724 36.888 120.634 1.00 0.00 H new ATOM 0 HB2 SER A 101 50.419 38.556 119.349 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.894 39.342 118.824 1.00 0.00 H new ATOM 0 HG SER A 101 52.509 37.303 117.816 1.00 0.00 H new ATOM 555 N GLY A 102 54.491 37.224 120.921 1.00 0.00 N ATOM 556 CA GLY A 102 55.878 37.006 120.629 1.00 0.00 C ATOM 557 C GLY A 102 56.704 38.071 121.282 1.00 0.00 C ATOM 558 O GLY A 102 57.932 37.984 121.303 1.00 0.00 O ATOM 0 H GLY A 102 54.223 37.060 121.891 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.185 36.023 120.987 1.00 0.00 H new ATOM 0 HA3 GLY A 102 56.039 37.017 119.551 1.00 0.00 H new ATOM 562 N TYR A 103 56.056 39.125 121.805 1.00 0.00 N ATOM 563 CA TYR A 103 56.773 40.148 122.506 1.00 0.00 C ATOM 564 C TYR A 103 55.898 40.601 123.637 1.00 0.00 C ATOM 565 O TYR A 103 54.751 40.169 123.744 1.00 0.00 O ATOM 566 CB TYR A 103 57.175 41.337 121.615 1.00 0.00 C ATOM 567 CG TYR A 103 55.947 41.836 120.947 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.446 41.162 119.857 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.280 42.944 121.415 1.00 0.00 C ATOM 570 CE1 TYR A 103 54.311 41.596 119.218 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.143 43.383 120.778 1.00 0.00 C ATOM 572 CZ TYR A 103 53.655 42.708 119.681 1.00 0.00 C ATOM 573 OH TYR A 103 52.488 43.153 119.026 1.00 0.00 O ATOM 0 H TYR A 103 55.048 39.271 121.745 1.00 0.00 H new ATOM 0 HA TYR A 103 57.715 39.735 122.866 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.632 42.125 122.213 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.914 41.028 120.876 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.953 40.278 119.499 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.649 43.470 122.283 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.937 41.065 118.355 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.630 44.262 121.140 1.00 0.00 H new ATOM 0 HH TYR A 103 52.144 43.951 119.478 1.00 0.00 H new ATOM 583 N ALA A 104 56.434 41.452 124.539 1.00 0.00 N ATOM 584 CA ALA A 104 55.659 41.900 125.662 1.00 0.00 C ATOM 585 C ALA A 104 55.449 43.372 125.524 1.00 0.00 C ATOM 586 O ALA A 104 56.210 44.046 124.830 1.00 0.00 O ATOM 587 CB ALA A 104 56.329 41.658 127.028 1.00 0.00 C ATOM 0 H ALA A 104 57.383 41.823 124.494 1.00 0.00 H new ATOM 0 HA ALA A 104 54.733 41.326 125.648 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.679 42.025 127.822 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.502 40.590 127.164 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.281 42.187 127.065 1.00 0.00 H new ATOM 593 N VAL A 105 54.363 43.888 126.148 1.00 0.00 N ATOM 594 CA VAL A 105 54.039 45.283 126.094 1.00 0.00 C ATOM 595 C VAL A 105 53.429 45.666 127.406 1.00 0.00 C ATOM 596 O VAL A 105 52.852 44.833 128.104 1.00 0.00 O ATOM 597 CB VAL A 105 53.022 45.617 125.029 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.650 45.380 123.644 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.753 44.782 125.277 1.00 0.00 C ATOM 0 H VAL A 105 53.707 43.329 126.693 1.00 0.00 H new ATOM 0 HA VAL A 105 54.961 45.818 125.869 1.00 0.00 H new ATOM 0 HB VAL A 105 52.728 46.666 125.067 1.00 0.00 H new ATOM 0 HG11 VAL A 105 52.922 45.619 122.869 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.526 46.018 123.528 1.00 0.00 H new ATOM 0 HG13 VAL A 105 53.947 44.335 123.553 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.010 45.014 124.514 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.001 43.721 125.232 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.348 45.018 126.261 1.00 0.00 H new ATOM 609 N ARG A 106 53.568 46.948 127.792 1.00 0.00 N ATOM 610 CA ARG A 106 52.938 47.403 128.993 1.00 0.00 C ATOM 611 C ARG A 106 51.487 47.459 128.644 1.00 0.00 C ATOM 612 O ARG A 106 51.127 47.823 127.527 1.00 0.00 O ATOM 613 CB ARG A 106 53.344 48.828 129.404 1.00 0.00 C ATOM 614 CG ARG A 106 54.817 48.986 129.778 1.00 0.00 C ATOM 615 CD ARG A 106 55.228 50.448 129.987 1.00 0.00 C ATOM 616 NE ARG A 106 55.064 51.135 128.672 1.00 0.00 N ATOM 617 CZ ARG A 106 56.126 51.238 127.821 1.00 0.00 C ATOM 618 NH1 ARG A 106 57.367 50.848 128.237 1.00 0.00 N ATOM 619 NH2 ARG A 106 55.950 51.709 126.553 1.00 0.00 N ATOM 0 H ARG A 106 54.103 47.654 127.287 1.00 0.00 H new ATOM 0 HA ARG A 106 53.211 46.743 129.816 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.116 49.508 128.583 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.732 49.136 130.252 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.017 48.424 130.690 1.00 0.00 H new ATOM 0 HG3 ARG A 106 55.434 48.549 128.993 1.00 0.00 H new ATOM 0 HD2 ARG A 106 54.607 50.919 130.749 1.00 0.00 H new ATOM 0 HD3 ARG A 106 56.260 50.514 130.331 1.00 0.00 H new ATOM 0 HE ARG A 106 54.160 51.527 128.410 1.00 0.00 H new ATOM 0 HH11 ARG A 106 57.497 50.482 129.180 1.00 0.00 H new ATOM 0 HH12 ARG A 106 58.164 50.923 127.605 1.00 0.00 H new ATOM 0 HH21 ARG A 106 55.021 51.986 126.236 1.00 0.00 H new ATOM 0 HH22 ARG A 106 56.747 51.784 125.921 1.00 0.00 H new ATOM 633 N PHE A 107 50.612 47.107 129.598 1.00 0.00 N ATOM 634 CA PHE A 107 49.196 47.082 129.359 1.00 0.00 C ATOM 635 C PHE A 107 48.755 48.480 129.026 1.00 0.00 C ATOM 636 O PHE A 107 47.931 48.698 128.140 1.00 0.00 O ATOM 637 CB PHE A 107 48.437 46.618 130.619 1.00 0.00 C ATOM 638 CG PHE A 107 47.013 46.305 130.302 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.674 45.068 129.801 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.018 47.229 130.518 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.366 44.762 129.511 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.705 46.929 130.230 1.00 0.00 C ATOM 643 CZ PHE A 107 44.378 45.694 129.725 1.00 0.00 C ATOM 0 H PHE A 107 50.882 46.837 130.544 1.00 0.00 H new ATOM 0 HA PHE A 107 48.982 46.390 128.544 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.923 45.736 131.036 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.481 47.396 131.381 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.445 44.330 129.634 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.269 48.200 130.918 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.114 43.789 129.115 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.933 47.664 130.401 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.349 45.456 129.497 1.00 0.00 H new ATOM 653 N ASN A 108 49.321 49.465 129.740 1.00 0.00 N ATOM 654 CA ASN A 108 48.976 50.858 129.635 1.00 0.00 C ATOM 655 C ASN A 108 49.360 51.436 128.305 1.00 0.00 C ATOM 656 O ASN A 108 48.832 52.478 127.921 1.00 0.00 O ATOM 657 CB ASN A 108 49.621 51.701 130.742 1.00 0.00 C ATOM 658 CG ASN A 108 49.034 51.168 132.038 1.00 0.00 C ATOM 659 OD1 ASN A 108 48.104 50.363 132.021 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.587 51.622 133.193 1.00 0.00 N ATOM 0 H ASN A 108 50.055 49.289 130.426 1.00 0.00 H new ATOM 0 HA ASN A 108 47.892 50.897 129.744 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.706 51.602 130.731 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.396 52.760 130.613 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.232 51.295 134.092 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.357 52.290 133.162 1.00 0.00 H new ATOM 667 N SER A 109 50.339 50.830 127.607 1.00 0.00 N ATOM 668 CA SER A 109 50.802 51.342 126.344 1.00 0.00 C ATOM 669 C SER A 109 49.751 51.197 125.280 1.00 0.00 C ATOM 670 O SER A 109 49.722 51.982 124.335 1.00 0.00 O ATOM 671 CB SER A 109 52.050 50.614 125.810 1.00 0.00 C ATOM 672 OG SER A 109 51.715 49.295 125.398 1.00 0.00 O ATOM 0 H SER A 109 50.814 49.982 127.915 1.00 0.00 H new ATOM 0 HA SER A 109 51.040 52.387 126.544 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.471 51.168 124.971 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.816 50.577 126.584 1.00 0.00 H new ATOM 0 HG SER A 109 51.468 48.760 126.181 1.00 0.00 H new ATOM 678 N LEU A 110 48.864 50.193 125.402 1.00 0.00 N ATOM 679 CA LEU A 110 47.917 49.865 124.367 1.00 0.00 C ATOM 680 C LEU A 110 46.724 50.789 124.351 1.00 0.00 C ATOM 681 O LEU A 110 46.421 51.477 125.325 1.00 0.00 O ATOM 682 CB LEU A 110 47.447 48.411 124.493 1.00 0.00 C ATOM 683 CG LEU A 110 48.619 47.424 124.346 1.00 0.00 C ATOM 684 CD1 LEU A 110 48.146 45.971 124.476 1.00 0.00 C ATOM 685 CD2 LEU A 110 49.388 47.674 123.039 1.00 0.00 C ATOM 0 H LEU A 110 48.798 49.598 126.228 1.00 0.00 H new ATOM 0 HA LEU A 110 48.443 49.995 123.421 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.967 48.265 125.461 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.697 48.203 123.730 1.00 0.00 H new ATOM 0 HG LEU A 110 49.316 47.600 125.166 1.00 0.00 H new ATOM 0 HD11 LEU A 110 48.998 45.300 124.367 1.00 0.00 H new ATOM 0 HD12 LEU A 110 47.690 45.823 125.455 1.00 0.00 H new ATOM 0 HD13 LEU A 110 47.413 45.756 123.698 1.00 0.00 H new ATOM 0 HD21 LEU A 110 50.211 46.964 122.959 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.715 47.547 122.191 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.784 48.689 123.038 1.00 0.00 H new ATOM 697 N THR A 111 46.036 50.837 123.184 1.00 0.00 N ATOM 698 CA THR A 111 44.866 51.646 122.978 1.00 0.00 C ATOM 699 C THR A 111 43.679 50.844 123.433 1.00 0.00 C ATOM 700 O THR A 111 43.804 49.668 123.772 1.00 0.00 O ATOM 701 CB THR A 111 44.654 52.036 121.540 1.00 0.00 C ATOM 702 OG1 THR A 111 44.357 50.896 120.753 1.00 0.00 O ATOM 703 CG2 THR A 111 45.943 52.698 121.020 1.00 0.00 C ATOM 0 H THR A 111 46.304 50.296 122.362 1.00 0.00 H new ATOM 0 HA THR A 111 44.995 52.571 123.541 1.00 0.00 H new ATOM 0 HB THR A 111 43.815 52.728 121.472 1.00 0.00 H new ATOM 0 HG1 THR A 111 44.220 51.168 119.821 1.00 0.00 H new ATOM 0 HG21 THR A 111 45.808 52.988 119.978 1.00 0.00 H new ATOM 0 HG22 THR A 111 46.164 53.583 121.617 1.00 0.00 H new ATOM 0 HG23 THR A 111 46.771 51.993 121.096 1.00 0.00 H new ATOM 711 N PRO A 112 42.523 51.447 123.470 1.00 0.00 N ATOM 712 CA PRO A 112 41.363 50.753 123.950 1.00 0.00 C ATOM 713 C PRO A 112 41.038 49.552 123.123 1.00 0.00 C ATOM 714 O PRO A 112 40.654 48.531 123.688 1.00 0.00 O ATOM 715 CB PRO A 112 40.247 51.792 123.993 1.00 0.00 C ATOM 716 CG PRO A 112 40.996 53.126 124.186 1.00 0.00 C ATOM 717 CD PRO A 112 42.375 52.892 123.538 1.00 0.00 C ATOM 0 HA PRO A 112 41.525 50.336 124.944 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.663 51.790 123.073 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.553 51.600 124.811 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.468 53.951 123.708 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.091 53.378 125.242 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.425 53.340 122.546 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.171 53.342 124.132 1.00 0.00 H new ATOM 725 N GLU A 113 41.184 49.663 121.789 1.00 0.00 N ATOM 726 CA GLU A 113 40.866 48.618 120.857 1.00 0.00 C ATOM 727 C GLU A 113 41.833 47.486 121.013 1.00 0.00 C ATOM 728 O GLU A 113 41.459 46.315 120.949 1.00 0.00 O ATOM 729 CB GLU A 113 40.963 49.115 119.406 1.00 0.00 C ATOM 730 CG GLU A 113 40.329 48.186 118.370 1.00 0.00 C ATOM 731 CD GLU A 113 40.308 48.948 117.054 1.00 0.00 C ATOM 732 OE1 GLU A 113 39.815 50.108 117.041 1.00 0.00 O ATOM 733 OE2 GLU A 113 40.797 48.378 116.042 1.00 0.00 O ATOM 0 H GLU A 113 41.536 50.509 121.341 1.00 0.00 H new ATOM 0 HA GLU A 113 39.846 48.295 121.066 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.486 50.093 119.338 1.00 0.00 H new ATOM 0 HB3 GLU A 113 42.014 49.255 119.154 1.00 0.00 H new ATOM 0 HG2 GLU A 113 40.903 47.264 118.274 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.320 47.904 118.670 1.00 0.00 H new ATOM 740 N GLN A 114 43.117 47.829 121.218 1.00 0.00 N ATOM 741 CA GLN A 114 44.176 46.866 121.323 1.00 0.00 C ATOM 742 C GLN A 114 43.910 46.028 122.534 1.00 0.00 C ATOM 743 O GLN A 114 44.061 44.808 122.513 1.00 0.00 O ATOM 744 CB GLN A 114 45.544 47.529 121.597 1.00 0.00 C ATOM 745 CG GLN A 114 45.971 48.647 120.637 1.00 0.00 C ATOM 746 CD GLN A 114 46.391 48.072 119.299 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.004 47.009 119.241 1.00 0.00 O ATOM 748 NE2 GLN A 114 46.057 48.789 118.194 1.00 0.00 N ATOM 0 H GLN A 114 43.429 48.795 121.313 1.00 0.00 H new ATOM 0 HA GLN A 114 44.207 46.311 120.385 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.529 47.936 122.608 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.309 46.753 121.577 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.147 49.346 120.496 1.00 0.00 H new ATOM 0 HG3 GLN A 114 46.796 49.211 121.072 1.00 0.00 H new ATOM 0 HE21 GLN A 114 45.547 49.667 118.291 1.00 0.00 H new ATOM 0 HE22 GLN A 114 46.316 48.449 117.268 1.00 0.00 H new ATOM 757 N GLN A 115 43.520 46.696 123.634 1.00 0.00 N ATOM 758 CA GLN A 115 43.272 46.070 124.898 1.00 0.00 C ATOM 759 C GLN A 115 42.053 45.211 124.809 1.00 0.00 C ATOM 760 O GLN A 115 41.979 44.157 125.437 1.00 0.00 O ATOM 761 CB GLN A 115 43.118 47.088 126.036 1.00 0.00 C ATOM 762 CG GLN A 115 44.441 47.812 126.307 1.00 0.00 C ATOM 763 CD GLN A 115 44.260 48.748 127.489 1.00 0.00 C ATOM 764 OE1 GLN A 115 43.170 48.862 128.047 1.00 0.00 O ATOM 765 NE2 GLN A 115 45.365 49.435 127.890 1.00 0.00 N ATOM 0 H GLN A 115 43.372 47.705 123.645 1.00 0.00 H new ATOM 0 HA GLN A 115 44.141 45.455 125.133 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.348 47.815 125.777 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.785 46.580 126.941 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.230 47.089 126.517 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.750 48.374 125.426 1.00 0.00 H new ATOM 0 HE21 GLN A 115 46.250 49.310 127.398 1.00 0.00 H new ATOM 0 HE22 GLN A 115 45.308 50.075 128.682 1.00 0.00 H new ATOM 774 N ARG A 116 41.066 45.642 124.004 1.00 0.00 N ATOM 775 CA ARG A 116 39.849 44.892 123.886 1.00 0.00 C ATOM 776 C ARG A 116 40.208 43.531 123.385 1.00 0.00 C ATOM 777 O ARG A 116 39.642 42.535 123.834 1.00 0.00 O ATOM 778 CB ARG A 116 38.830 45.496 122.896 1.00 0.00 C ATOM 779 CG ARG A 116 38.293 46.869 123.311 1.00 0.00 C ATOM 780 CD ARG A 116 36.974 47.268 122.640 1.00 0.00 C ATOM 781 NE ARG A 116 35.947 47.371 123.715 1.00 0.00 N ATOM 782 CZ ARG A 116 34.891 48.222 123.568 1.00 0.00 C ATOM 783 NH1 ARG A 116 34.701 48.879 122.387 1.00 0.00 N ATOM 784 NH2 ARG A 116 34.020 48.408 124.603 1.00 0.00 N ATOM 0 H ARG A 116 41.105 46.493 123.443 1.00 0.00 H new ATOM 0 HA ARG A 116 39.378 44.889 124.869 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.299 45.582 121.916 1.00 0.00 H new ATOM 0 HB3 ARG A 116 37.992 44.807 122.789 1.00 0.00 H new ATOM 0 HG2 ARG A 116 38.153 46.878 124.392 1.00 0.00 H new ATOM 0 HG3 ARG A 116 39.045 47.623 123.081 1.00 0.00 H new ATOM 0 HD2 ARG A 116 37.080 48.218 122.117 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.680 46.526 121.897 1.00 0.00 H new ATOM 0 HE ARG A 116 36.034 46.806 124.560 1.00 0.00 H new ATOM 0 HH11 ARG A 116 35.349 48.734 121.613 1.00 0.00 H new ATOM 0 HH12 ARG A 116 33.911 49.515 122.279 1.00 0.00 H new ATOM 0 HH21 ARG A 116 34.160 47.911 125.483 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.229 49.044 124.496 1.00 0.00 H new ATOM 798 N ASP A 117 41.169 43.460 122.442 1.00 0.00 N ATOM 799 CA ASP A 117 41.591 42.221 121.854 1.00 0.00 C ATOM 800 C ASP A 117 42.140 41.320 122.917 1.00 0.00 C ATOM 801 O ASP A 117 41.810 40.138 122.966 1.00 0.00 O ATOM 802 CB ASP A 117 42.727 42.403 120.834 1.00 0.00 C ATOM 803 CG ASP A 117 43.126 41.028 120.312 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.321 40.074 120.479 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.240 40.912 119.735 1.00 0.00 O ATOM 0 H ASP A 117 41.662 44.277 122.081 1.00 0.00 H new ATOM 0 HA ASP A 117 40.711 41.809 121.359 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.401 43.041 120.013 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.581 42.895 121.300 1.00 0.00 H new ATOM 810 N VAL A 118 42.997 41.868 123.798 1.00 0.00 N ATOM 811 CA VAL A 118 43.662 41.083 124.799 1.00 0.00 C ATOM 812 C VAL A 118 42.682 40.457 125.751 1.00 0.00 C ATOM 813 O VAL A 118 42.726 39.251 125.989 1.00 0.00 O ATOM 814 CB VAL A 118 44.602 41.902 125.631 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.111 41.028 126.787 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.725 42.437 124.728 1.00 0.00 C ATOM 0 H VAL A 118 43.232 42.860 123.819 1.00 0.00 H new ATOM 0 HA VAL A 118 44.212 40.321 124.246 1.00 0.00 H new ATOM 0 HB VAL A 118 44.111 42.769 126.072 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.798 41.606 127.405 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.267 40.698 127.393 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.630 40.158 126.384 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.416 43.035 125.322 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.262 41.600 124.280 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.295 43.055 123.940 1.00 0.00 H new ATOM 826 N ILE A 119 41.734 41.252 126.278 1.00 0.00 N ATOM 827 CA ILE A 119 40.818 40.792 127.288 1.00 0.00 C ATOM 828 C ILE A 119 40.044 39.638 126.737 1.00 0.00 C ATOM 829 O ILE A 119 39.710 38.701 127.457 1.00 0.00 O ATOM 830 CB ILE A 119 39.822 41.841 127.704 1.00 0.00 C ATOM 831 CG1 ILE A 119 38.899 42.202 126.525 1.00 0.00 C ATOM 832 CG2 ILE A 119 40.602 43.038 128.281 1.00 0.00 C ATOM 833 CD1 ILE A 119 37.650 42.986 126.924 1.00 0.00 C ATOM 0 H ILE A 119 41.597 42.225 126.004 1.00 0.00 H new ATOM 0 HA ILE A 119 41.414 40.523 128.160 1.00 0.00 H new ATOM 0 HB ILE A 119 39.157 41.473 128.485 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.466 42.787 125.801 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.593 41.284 126.023 1.00 0.00 H new ATOM 0 HG21 ILE A 119 39.901 43.814 128.590 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.185 42.711 129.142 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.272 43.437 127.519 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.055 43.200 126.036 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.058 42.396 127.624 1.00 0.00 H new ATOM 0 HD13 ILE A 119 37.944 43.923 127.398 1.00 0.00 H new ATOM 845 N ALA A 120 39.725 39.713 125.437 1.00 0.00 N ATOM 846 CA ALA A 120 38.940 38.773 124.683 1.00 0.00 C ATOM 847 C ALA A 120 39.584 37.422 124.579 1.00 0.00 C ATOM 848 O ALA A 120 38.879 36.426 124.440 1.00 0.00 O ATOM 849 CB ALA A 120 38.686 39.248 123.246 1.00 0.00 C ATOM 0 H ALA A 120 40.039 40.494 124.860 1.00 0.00 H new ATOM 0 HA ALA A 120 38.005 38.701 125.239 1.00 0.00 H new ATOM 0 HB1 ALA A 120 38.089 38.505 122.717 1.00 0.00 H new ATOM 0 HB2 ALA A 120 38.149 40.197 123.266 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.638 39.381 122.733 1.00 0.00 H new ATOM 855 N ARG A 121 40.928 37.352 124.578 1.00 0.00 N ATOM 856 CA ARG A 121 41.638 36.124 124.329 1.00 0.00 C ATOM 857 C ARG A 121 41.332 35.076 125.363 1.00 0.00 C ATOM 858 O ARG A 121 40.705 35.338 126.388 1.00 0.00 O ATOM 859 CB ARG A 121 43.164 36.297 124.265 1.00 0.00 C ATOM 860 CG ARG A 121 43.632 37.178 123.108 1.00 0.00 C ATOM 861 CD ARG A 121 45.152 37.198 122.966 1.00 0.00 C ATOM 862 NE ARG A 121 45.489 38.090 121.825 1.00 0.00 N ATOM 863 CZ ARG A 121 46.559 38.925 121.945 1.00 0.00 C ATOM 864 NH1 ARG A 121 47.320 38.887 123.077 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.860 39.794 120.938 1.00 0.00 N ATOM 0 H ARG A 121 41.534 38.154 124.751 1.00 0.00 H new ATOM 0 HA ARG A 121 41.284 35.803 123.349 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.512 36.729 125.203 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.629 35.315 124.174 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.188 36.819 122.179 1.00 0.00 H new ATOM 0 HG3 ARG A 121 43.271 38.195 123.261 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.617 37.559 123.883 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.533 36.192 122.790 1.00 0.00 H new ATOM 0 HE ARG A 121 44.931 38.077 120.971 1.00 0.00 H new ATOM 0 HH11 ARG A 121 47.086 38.236 123.827 1.00 0.00 H new ATOM 0 HH12 ARG A 121 48.122 39.509 123.173 1.00 0.00 H new ATOM 0 HH21 ARG A 121 46.284 39.818 120.096 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.661 40.420 121.027 1.00 0.00 H new ATOM 879 N THR A 122 41.752 33.821 125.071 1.00 0.00 N ATOM 880 CA THR A 122 41.456 32.693 125.908 1.00 0.00 C ATOM 881 C THR A 122 42.332 32.708 127.124 1.00 0.00 C ATOM 882 O THR A 122 43.552 32.843 127.032 1.00 0.00 O ATOM 883 CB THR A 122 41.694 31.375 125.231 1.00 0.00 C ATOM 884 OG1 THR A 122 40.997 31.324 123.996 1.00 0.00 O ATOM 885 CG2 THR A 122 41.163 30.260 126.153 1.00 0.00 C ATOM 0 H THR A 122 42.303 33.590 124.244 1.00 0.00 H new ATOM 0 HA THR A 122 40.399 32.785 126.156 1.00 0.00 H new ATOM 0 HB THR A 122 42.759 31.248 125.039 1.00 0.00 H new ATOM 0 HG1 THR A 122 41.161 30.460 123.563 1.00 0.00 H new ATOM 0 HG21 THR A 122 41.325 29.290 125.682 1.00 0.00 H new ATOM 0 HG22 THR A 122 41.691 30.293 127.106 1.00 0.00 H new ATOM 0 HG23 THR A 122 40.097 30.407 126.324 1.00 0.00 H new ATOM 893 N PHE A 123 41.706 32.576 128.311 1.00 0.00 N ATOM 894 CA PHE A 123 42.448 32.481 129.531 1.00 0.00 C ATOM 895 C PHE A 123 42.202 31.095 130.027 1.00 0.00 C ATOM 896 O PHE A 123 41.089 30.766 130.433 1.00 0.00 O ATOM 897 CB PHE A 123 41.993 33.475 130.620 1.00 0.00 C ATOM 898 CG PHE A 123 42.417 34.823 130.148 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.668 35.491 129.208 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.560 35.419 130.633 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.043 36.732 128.754 1.00 0.00 C ATOM 902 CE2 PHE A 123 43.942 36.661 130.178 1.00 0.00 C ATOM 903 CZ PHE A 123 43.186 37.319 129.237 1.00 0.00 C ATOM 0 H PHE A 123 40.693 32.535 128.424 1.00 0.00 H new ATOM 0 HA PHE A 123 43.494 32.714 129.333 1.00 0.00 H new ATOM 0 HB2 PHE A 123 40.913 33.433 130.760 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.449 33.237 131.581 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.770 35.032 128.820 1.00 0.00 H new ATOM 0 HD2 PHE A 123 44.159 34.910 131.373 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.440 37.245 128.019 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.840 37.121 130.562 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.490 38.292 128.880 1.00 0.00 H new ATOM 913 N THR A 124 43.252 30.250 130.012 1.00 0.00 N ATOM 914 CA THR A 124 43.156 28.866 130.381 1.00 0.00 C ATOM 915 C THR A 124 42.729 28.742 131.815 1.00 0.00 C ATOM 916 O THR A 124 43.428 29.188 132.725 1.00 0.00 O ATOM 917 CB THR A 124 44.471 28.164 130.225 1.00 0.00 C ATOM 918 OG1 THR A 124 45.461 28.839 130.983 1.00 0.00 O ATOM 919 CG2 THR A 124 44.867 28.153 128.740 1.00 0.00 C ATOM 0 H THR A 124 44.192 30.535 129.737 1.00 0.00 H new ATOM 0 HA THR A 124 42.422 28.406 129.720 1.00 0.00 H new ATOM 0 HB THR A 124 44.385 27.138 130.583 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.049 29.238 131.778 1.00 0.00 H new ATOM 0 HG21 THR A 124 45.823 27.643 128.622 1.00 0.00 H new ATOM 0 HG22 THR A 124 44.104 27.630 128.164 1.00 0.00 H new ATOM 0 HG23 THR A 124 44.955 29.178 128.379 1.00 0.00 H new ATOM 927 N GLU A 125 41.531 28.153 132.031 1.00 0.00 N ATOM 928 CA GLU A 125 40.955 27.926 133.332 1.00 0.00 C ATOM 929 C GLU A 125 41.662 26.820 134.066 1.00 0.00 C ATOM 930 O GLU A 125 41.994 26.957 135.242 1.00 0.00 O ATOM 931 CB GLU A 125 39.481 27.494 133.265 1.00 0.00 C ATOM 932 CG GLU A 125 38.563 28.506 132.585 1.00 0.00 C ATOM 933 CD GLU A 125 38.759 28.371 131.083 1.00 0.00 C ATOM 934 OE1 GLU A 125 39.070 27.242 130.613 1.00 0.00 O ATOM 935 OE2 GLU A 125 38.598 29.406 130.383 1.00 0.00 O ATOM 0 H GLU A 125 40.939 27.821 131.269 1.00 0.00 H new ATOM 0 HA GLU A 125 41.054 28.884 133.843 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.416 26.546 132.732 1.00 0.00 H new ATOM 0 HB3 GLU A 125 39.120 27.316 134.278 1.00 0.00 H new ATOM 0 HG2 GLU A 125 37.523 28.320 132.853 1.00 0.00 H new ATOM 0 HG3 GLU A 125 38.800 29.518 132.912 1.00 0.00 H new ATOM 942 N SER A 126 41.923 25.684 133.389 1.00 0.00 N ATOM 943 CA SER A 126 42.480 24.565 134.099 1.00 0.00 C ATOM 944 C SER A 126 43.489 23.884 133.245 1.00 0.00 C ATOM 945 O SER A 126 43.987 24.451 132.272 1.00 0.00 O ATOM 946 CB SER A 126 41.443 23.511 134.527 1.00 0.00 C ATOM 947 OG SER A 126 40.737 23.015 133.400 1.00 0.00 O ATOM 0 H SER A 126 41.758 25.539 132.393 1.00 0.00 H new ATOM 0 HA SER A 126 42.919 24.983 135.005 1.00 0.00 H new ATOM 0 HB2 SER A 126 41.943 22.689 135.040 1.00 0.00 H new ATOM 0 HB3 SER A 126 40.742 23.950 135.237 1.00 0.00 H new ATOM 0 HG SER A 126 40.084 22.345 133.692 1.00 0.00 H new ATOM 953 N LEU A 127 43.854 22.644 133.629 1.00 0.00 N ATOM 954 CA LEU A 127 44.858 21.940 132.896 1.00 0.00 C ATOM 955 C LEU A 127 44.240 20.781 132.114 1.00 0.00 C ATOM 956 O LEU A 127 43.202 20.214 132.549 1.00 0.00 O ATOM 957 CB LEU A 127 45.961 21.367 133.796 1.00 0.00 C ATOM 958 CG LEU A 127 46.733 22.453 134.576 1.00 0.00 C ATOM 959 CD1 LEU A 127 47.455 23.422 133.627 1.00 0.00 C ATOM 960 CD2 LEU A 127 45.830 23.177 135.587 1.00 0.00 C ATOM 961 OXT LEU A 127 44.829 20.449 131.050 1.00 0.00 O ATOM 0 H LEU A 127 43.464 22.142 134.426 1.00 0.00 H new ATOM 0 HA LEU A 127 45.303 22.672 132.222 1.00 0.00 H new ATOM 0 HB2 LEU A 127 45.517 20.667 134.504 1.00 0.00 H new ATOM 0 HB3 LEU A 127 46.663 20.800 133.184 1.00 0.00 H new ATOM 0 HG LEU A 127 47.507 21.954 135.159 1.00 0.00 H new ATOM 0 HD11 LEU A 127 47.988 24.173 134.210 1.00 0.00 H new ATOM 0 HD12 LEU A 127 48.165 22.868 133.013 1.00 0.00 H new ATOM 0 HD13 LEU A 127 46.725 23.913 132.984 1.00 0.00 H new ATOM 0 HD21 LEU A 127 46.410 23.934 136.116 1.00 0.00 H new ATOM 0 HD22 LEU A 127 45.004 23.655 135.060 1.00 0.00 H new ATOM 0 HD23 LEU A 127 45.435 22.456 136.303 1.00 0.00 H new TER 973 LEU A 127