USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 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 111 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 GLN : amide:sc= 0.842 K(o=0.84,f=-7.7!) USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.206 K(o=-3.6,f=-4.2) USER MOD Set 2.2: A 74 ASN : amide:sc= -3.36! C(o=-3.6!,f=-6.5!) USER MOD Single : A 71 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.2!) USER MOD Single : A 76 ASN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 82 THR OG1 : rot -48:sc= 1.05 USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0619) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 4:sc= 0.289 USER MOD Single : A 95 GLN : amide:sc= -0.0137 K(o=-0.014,f=-2.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -47:sc= 1.1 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0551 USER MOD Single : A 108 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4.3!) USER MOD Single : A 109 SER OG : rot 180:sc= -1.08 USER MOD Single : A 115 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.0498 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 57.487 15.765 117.676 1.00 0.00 N ATOM 2 CA GLU A 68 58.274 17.016 117.686 1.00 0.00 C ATOM 3 C GLU A 68 58.042 17.707 118.985 1.00 0.00 C ATOM 4 O GLU A 68 58.324 17.166 120.052 1.00 0.00 O ATOM 5 CB GLU A 68 57.816 17.951 116.551 1.00 0.00 C ATOM 6 CG GLU A 68 57.925 17.330 115.158 1.00 0.00 C ATOM 7 CD GLU A 68 56.654 16.527 114.911 1.00 0.00 C ATOM 8 OE1 GLU A 68 55.740 16.581 115.779 1.00 0.00 O ATOM 9 OE2 GLU A 68 56.575 15.861 113.844 1.00 0.00 O ATOM 0 HA GLU A 68 59.328 16.776 117.549 1.00 0.00 H new ATOM 0 HB2 GLU A 68 56.781 18.243 116.729 1.00 0.00 H new ATOM 0 HB3 GLU A 68 58.413 18.862 116.580 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.041 18.106 114.401 1.00 0.00 H new ATOM 0 HG3 GLU A 68 58.803 16.687 115.093 1.00 0.00 H new ATOM 15 N GLY A 69 57.517 18.941 118.916 1.00 0.00 N ATOM 16 CA GLY A 69 57.238 19.682 120.104 1.00 0.00 C ATOM 17 C GLY A 69 56.952 21.076 119.668 1.00 0.00 C ATOM 18 O GLY A 69 57.308 21.475 118.561 1.00 0.00 O ATOM 0 H GLY A 69 57.287 19.422 118.047 1.00 0.00 H new ATOM 0 HA2 GLY A 69 56.386 19.258 120.636 1.00 0.00 H new ATOM 0 HA3 GLY A 69 58.086 19.655 120.788 1.00 0.00 H new ATOM 22 N GLY A 70 56.290 21.861 120.536 1.00 0.00 N ATOM 23 CA GLY A 70 56.008 23.210 120.160 1.00 0.00 C ATOM 24 C GLY A 70 57.273 23.975 120.311 1.00 0.00 C ATOM 25 O GLY A 70 58.151 23.596 121.087 1.00 0.00 O ATOM 0 H GLY A 70 55.962 21.579 121.460 1.00 0.00 H new ATOM 0 HA2 GLY A 70 55.649 23.257 119.132 1.00 0.00 H new ATOM 0 HA3 GLY A 70 55.225 23.631 120.791 1.00 0.00 H new ATOM 29 N GLN A 71 57.397 25.081 119.560 1.00 0.00 N ATOM 30 CA GLN A 71 58.565 25.895 119.681 1.00 0.00 C ATOM 31 C GLN A 71 58.085 27.280 119.967 1.00 0.00 C ATOM 32 O GLN A 71 57.110 27.732 119.369 1.00 0.00 O ATOM 33 CB GLN A 71 59.385 26.004 118.398 1.00 0.00 C ATOM 34 CG GLN A 71 58.632 26.745 117.297 1.00 0.00 C ATOM 35 CD GLN A 71 59.578 26.878 116.124 1.00 0.00 C ATOM 36 OE1 GLN A 71 60.774 27.100 116.302 1.00 0.00 O ATOM 37 NE2 GLN A 71 59.032 26.738 114.888 1.00 0.00 N ATOM 0 H GLN A 71 56.707 25.407 118.884 1.00 0.00 H new ATOM 0 HA GLN A 71 59.195 25.446 120.449 1.00 0.00 H new ATOM 0 HB2 GLN A 71 60.320 26.522 118.609 1.00 0.00 H new ATOM 0 HB3 GLN A 71 59.646 25.005 118.049 1.00 0.00 H new ATOM 0 HG2 GLN A 71 57.735 26.198 117.008 1.00 0.00 H new ATOM 0 HG3 GLN A 71 58.309 27.726 117.644 1.00 0.00 H new ATOM 0 HE21 GLN A 71 58.034 26.554 114.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 59.621 26.817 114.059 1.00 0.00 H new ATOM 46 N HIS A 72 58.785 27.980 120.881 1.00 0.00 N ATOM 47 CA HIS A 72 58.482 29.314 121.317 1.00 0.00 C ATOM 48 C HIS A 72 57.151 29.364 121.980 1.00 0.00 C ATOM 49 O HIS A 72 56.180 28.785 121.497 1.00 0.00 O ATOM 50 CB HIS A 72 58.499 30.386 120.218 1.00 0.00 C ATOM 51 CG HIS A 72 58.155 31.721 120.798 1.00 0.00 C ATOM 52 ND1 HIS A 72 56.871 32.214 120.861 1.00 0.00 N ATOM 53 CD2 HIS A 72 58.941 32.656 121.402 1.00 0.00 C ATOM 54 CE1 HIS A 72 56.942 33.410 121.495 1.00 0.00 C ATOM 55 NE2 HIS A 72 58.177 33.720 121.843 1.00 0.00 N ATOM 0 H HIS A 72 59.609 27.594 121.342 1.00 0.00 H new ATOM 0 HA HIS A 72 59.291 29.551 122.008 1.00 0.00 H new ATOM 0 HB2 HIS A 72 59.484 30.426 119.753 1.00 0.00 H new ATOM 0 HB3 HIS A 72 57.787 30.126 119.435 1.00 0.00 H new ATOM 0 HD2 HIS A 72 60.012 32.577 121.520 1.00 0.00 H new ATOM 0 HE1 HIS A 72 56.086 34.038 121.693 1.00 0.00 H new ATOM 0 HE2 HIS A 72 58.496 34.558 122.329 1.00 0.00 H new ATOM 63 N LEU A 73 57.087 30.052 123.141 1.00 0.00 N ATOM 64 CA LEU A 73 55.826 30.187 123.803 1.00 0.00 C ATOM 65 C LEU A 73 55.887 31.387 124.700 1.00 0.00 C ATOM 66 O LEU A 73 56.859 31.588 125.425 1.00 0.00 O ATOM 67 CB LEU A 73 55.462 28.966 124.663 1.00 0.00 C ATOM 68 CG LEU A 73 54.080 29.100 125.323 1.00 0.00 C ATOM 69 CD1 LEU A 73 52.983 29.257 124.257 1.00 0.00 C ATOM 70 CD2 LEU A 73 53.809 27.946 126.302 1.00 0.00 C ATOM 0 H LEU A 73 57.878 30.498 123.605 1.00 0.00 H new ATOM 0 HA LEU A 73 55.064 30.285 123.030 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.479 28.070 124.042 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.219 28.832 125.436 1.00 0.00 H new ATOM 0 HG LEU A 73 54.069 30.010 125.924 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.013 29.350 124.745 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.178 30.150 123.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 52.980 28.382 123.607 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.824 28.073 126.750 1.00 0.00 H new ATOM 0 HD22 LEU A 73 53.844 26.998 125.765 1.00 0.00 H new ATOM 0 HD23 LEU A 73 54.567 27.948 127.085 1.00 0.00 H new ATOM 82 N ASN A 74 54.836 32.231 124.659 1.00 0.00 N ATOM 83 CA ASN A 74 54.757 33.375 125.521 1.00 0.00 C ATOM 84 C ASN A 74 53.977 32.915 126.709 1.00 0.00 C ATOM 85 O ASN A 74 52.973 32.219 126.557 1.00 0.00 O ATOM 86 CB ASN A 74 53.999 34.562 124.895 1.00 0.00 C ATOM 87 CG ASN A 74 54.847 35.174 123.785 1.00 0.00 C ATOM 88 OD1 ASN A 74 54.272 35.250 122.555 1.00 0.00 O ATOM 89 ND2 ASN A 74 55.988 35.578 124.006 1.00 0.00 N ATOM 0 H ASN A 74 54.041 32.121 124.029 1.00 0.00 H new ATOM 0 HA ASN A 74 55.764 33.727 125.743 1.00 0.00 H new ATOM 0 HB2 ASN A 74 53.042 34.227 124.494 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.781 35.311 125.656 1.00 0.00 H new ATOM 0 HD21 ASN A 74 56.539 35.988 123.252 1.00 0.00 H new ATOM 0 HD22 ASN A 74 56.383 35.503 124.943 1.00 0.00 H new ATOM 96 N VAL A 75 54.420 33.257 127.934 1.00 0.00 N ATOM 97 CA VAL A 75 53.664 32.768 129.050 1.00 0.00 C ATOM 98 C VAL A 75 53.149 33.911 129.855 1.00 0.00 C ATOM 99 O VAL A 75 53.902 34.781 130.290 1.00 0.00 O ATOM 100 CB VAL A 75 54.460 31.886 129.967 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.614 31.552 131.209 1.00 0.00 C ATOM 102 CG2 VAL A 75 54.897 30.642 129.175 1.00 0.00 C ATOM 0 H VAL A 75 55.238 33.828 128.147 1.00 0.00 H new ATOM 0 HA VAL A 75 52.854 32.175 128.625 1.00 0.00 H new ATOM 0 HB VAL A 75 55.361 32.382 130.328 1.00 0.00 H new ATOM 0 HG11 VAL A 75 54.188 30.911 131.879 1.00 0.00 H new ATOM 0 HG12 VAL A 75 53.349 32.474 131.727 1.00 0.00 H new ATOM 0 HG13 VAL A 75 52.705 31.034 130.902 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.478 29.985 129.822 1.00 0.00 H new ATOM 0 HG22 VAL A 75 54.015 30.111 128.816 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.508 30.948 128.325 1.00 0.00 H new ATOM 112 N ASN A 76 51.821 33.928 130.067 1.00 0.00 N ATOM 113 CA ASN A 76 51.229 34.941 130.883 1.00 0.00 C ATOM 114 C ASN A 76 50.452 34.232 131.939 1.00 0.00 C ATOM 115 O ASN A 76 49.614 33.383 131.641 1.00 0.00 O ATOM 116 CB ASN A 76 50.244 35.858 130.132 1.00 0.00 C ATOM 117 CG ASN A 76 51.038 36.826 129.257 1.00 0.00 C ATOM 118 OD1 ASN A 76 50.912 36.822 128.034 1.00 0.00 O ATOM 119 ND2 ASN A 76 51.876 37.687 129.897 1.00 0.00 N ATOM 0 H ASN A 76 51.165 33.250 129.679 1.00 0.00 H new ATOM 0 HA ASN A 76 52.032 35.575 131.259 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.568 35.263 129.518 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.627 36.410 130.841 1.00 0.00 H new ATOM 0 HD21 ASN A 76 52.425 38.358 129.360 1.00 0.00 H new ATOM 0 HD22 ASN A 76 51.955 37.661 130.914 1.00 0.00 H new ATOM 126 N VAL A 77 50.754 34.534 133.215 1.00 0.00 N ATOM 127 CA VAL A 77 50.015 33.957 134.298 1.00 0.00 C ATOM 128 C VAL A 77 49.270 35.080 134.945 1.00 0.00 C ATOM 129 O VAL A 77 49.850 35.858 135.698 1.00 0.00 O ATOM 130 CB VAL A 77 50.907 33.291 135.307 1.00 0.00 C ATOM 131 CG1 VAL A 77 51.426 31.989 134.685 1.00 0.00 C ATOM 132 CG2 VAL A 77 52.069 34.244 135.633 1.00 0.00 C ATOM 0 H VAL A 77 51.500 35.170 133.496 1.00 0.00 H new ATOM 0 HA VAL A 77 49.349 33.182 133.918 1.00 0.00 H new ATOM 0 HB VAL A 77 50.373 33.063 136.230 1.00 0.00 H new ATOM 0 HG11 VAL A 77 52.078 31.481 135.395 1.00 0.00 H new ATOM 0 HG12 VAL A 77 50.584 31.342 134.439 1.00 0.00 H new ATOM 0 HG13 VAL A 77 51.985 32.217 133.778 1.00 0.00 H new ATOM 0 HG21 VAL A 77 52.728 33.777 136.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 52.630 34.458 134.723 1.00 0.00 H new ATOM 0 HG23 VAL A 77 51.673 35.174 136.042 1.00 0.00 H new ATOM 142 N LEU A 78 47.954 35.199 134.663 1.00 0.00 N ATOM 143 CA LEU A 78 47.190 36.283 135.223 1.00 0.00 C ATOM 144 C LEU A 78 45.734 35.930 135.184 1.00 0.00 C ATOM 145 O LEU A 78 45.346 34.886 134.664 1.00 0.00 O ATOM 146 CB LEU A 78 47.321 37.601 134.437 1.00 0.00 C ATOM 147 CG LEU A 78 48.707 38.268 134.529 1.00 0.00 C ATOM 148 CD1 LEU A 78 48.757 39.575 133.716 1.00 0.00 C ATOM 149 CD2 LEU A 78 49.126 38.488 135.993 1.00 0.00 C ATOM 0 H LEU A 78 47.428 34.563 134.063 1.00 0.00 H new ATOM 0 HA LEU A 78 47.578 36.428 136.231 1.00 0.00 H new ATOM 0 HB2 LEU A 78 47.094 37.407 133.389 1.00 0.00 H new ATOM 0 HB3 LEU A 78 46.570 38.302 134.801 1.00 0.00 H new ATOM 0 HG LEU A 78 49.432 37.586 134.085 1.00 0.00 H new ATOM 0 HD11 LEU A 78 49.748 40.020 133.803 1.00 0.00 H new ATOM 0 HD12 LEU A 78 48.546 39.360 132.668 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.012 40.272 134.101 1.00 0.00 H new ATOM 0 HD21 LEU A 78 50.108 38.960 136.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 48.398 39.132 136.487 1.00 0.00 H new ATOM 0 HD23 LEU A 78 49.169 37.528 136.507 1.00 0.00 H new ATOM 161 N ARG A 79 44.892 36.815 135.760 1.00 0.00 N ATOM 162 CA ARG A 79 43.466 36.650 135.746 1.00 0.00 C ATOM 163 C ARG A 79 42.903 37.743 134.890 1.00 0.00 C ATOM 164 O ARG A 79 43.458 38.836 134.815 1.00 0.00 O ATOM 165 CB ARG A 79 42.805 36.800 137.123 1.00 0.00 C ATOM 166 CG ARG A 79 43.166 35.691 138.107 1.00 0.00 C ATOM 167 CD ARG A 79 42.486 35.856 139.466 1.00 0.00 C ATOM 168 NE ARG A 79 42.976 34.765 140.349 1.00 0.00 N ATOM 169 CZ ARG A 79 43.040 34.966 141.696 1.00 0.00 C ATOM 170 NH1 ARG A 79 42.609 36.147 142.230 1.00 0.00 N ATOM 171 NH2 ARG A 79 43.544 33.990 142.507 1.00 0.00 N ATOM 0 H ARG A 79 45.206 37.657 136.242 1.00 0.00 H new ATOM 0 HA ARG A 79 43.266 35.641 135.387 1.00 0.00 H new ATOM 0 HB2 ARG A 79 43.094 37.760 137.551 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.723 36.821 136.995 1.00 0.00 H new ATOM 0 HG2 ARG A 79 42.885 34.728 137.680 1.00 0.00 H new ATOM 0 HG3 ARG A 79 44.247 35.674 138.247 1.00 0.00 H new ATOM 0 HD2 ARG A 79 42.720 36.830 139.895 1.00 0.00 H new ATOM 0 HD3 ARG A 79 41.402 35.806 139.361 1.00 0.00 H new ATOM 0 HE ARG A 79 43.263 33.871 139.949 1.00 0.00 H new ATOM 0 HH11 ARG A 79 42.240 36.877 141.621 1.00 0.00 H new ATOM 0 HH12 ARG A 79 42.656 36.299 143.238 1.00 0.00 H new ATOM 0 HH21 ARG A 79 43.872 33.112 142.105 1.00 0.00 H new ATOM 0 HH22 ARG A 79 43.592 34.139 143.515 1.00 0.00 H new ATOM 185 N ARG A 80 41.775 37.461 134.210 1.00 0.00 N ATOM 186 CA ARG A 80 41.167 38.408 133.317 1.00 0.00 C ATOM 187 C ARG A 80 40.683 39.593 134.092 1.00 0.00 C ATOM 188 O ARG A 80 40.745 40.721 133.607 1.00 0.00 O ATOM 189 CB ARG A 80 39.974 37.836 132.535 1.00 0.00 C ATOM 190 CG ARG A 80 39.388 38.838 131.541 1.00 0.00 C ATOM 191 CD ARG A 80 38.199 38.306 130.743 1.00 0.00 C ATOM 192 NE ARG A 80 37.721 39.423 129.878 1.00 0.00 N ATOM 193 CZ ARG A 80 37.118 39.159 128.680 1.00 0.00 C ATOM 194 NH1 ARG A 80 36.936 37.870 128.279 1.00 0.00 N ATOM 195 NH2 ARG A 80 36.706 40.190 127.885 1.00 0.00 N ATOM 0 H ARG A 80 41.280 36.572 134.278 1.00 0.00 H new ATOM 0 HA ARG A 80 41.939 38.681 132.597 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.291 36.941 131.999 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.198 37.529 133.236 1.00 0.00 H new ATOM 0 HG2 ARG A 80 39.077 39.731 132.083 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.170 39.143 130.846 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.493 37.448 130.138 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.406 37.969 131.411 1.00 0.00 H new ATOM 0 HE ARG A 80 37.845 40.389 130.182 1.00 0.00 H new ATOM 0 HH11 ARG A 80 37.250 37.102 128.873 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.486 37.673 127.385 1.00 0.00 H new ATOM 0 HH21 ARG A 80 36.849 41.154 128.186 1.00 0.00 H new ATOM 0 HH22 ARG A 80 36.256 39.996 126.991 1.00 0.00 H new ATOM 209 N GLU A 81 40.195 39.359 135.324 1.00 0.00 N ATOM 210 CA GLU A 81 39.627 40.396 136.139 1.00 0.00 C ATOM 211 C GLU A 81 40.679 41.418 136.426 1.00 0.00 C ATOM 212 O GLU A 81 40.389 42.614 136.459 1.00 0.00 O ATOM 213 CB GLU A 81 39.123 39.895 137.503 1.00 0.00 C ATOM 214 CG GLU A 81 38.068 38.791 137.407 1.00 0.00 C ATOM 215 CD GLU A 81 38.820 37.468 137.410 1.00 0.00 C ATOM 216 OE1 GLU A 81 40.028 37.481 137.771 1.00 0.00 O ATOM 217 OE2 GLU A 81 38.204 36.429 137.056 1.00 0.00 O ATOM 0 H GLU A 81 40.193 38.438 135.763 1.00 0.00 H new ATOM 0 HA GLU A 81 38.781 40.795 135.579 1.00 0.00 H new ATOM 0 HB2 GLU A 81 39.971 39.524 138.079 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.705 40.736 138.056 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.374 38.844 138.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 37.477 38.898 136.498 1.00 0.00 H new ATOM 224 N THR A 82 41.932 40.972 136.638 1.00 0.00 N ATOM 225 CA THR A 82 42.985 41.877 136.998 1.00 0.00 C ATOM 226 C THR A 82 43.167 42.855 135.878 1.00 0.00 C ATOM 227 O THR A 82 43.377 44.045 136.110 1.00 0.00 O ATOM 228 CB THR A 82 44.318 41.213 137.202 1.00 0.00 C ATOM 229 OG1 THR A 82 44.806 40.700 135.972 1.00 0.00 O ATOM 230 CG2 THR A 82 44.164 40.078 138.230 1.00 0.00 C ATOM 0 H THR A 82 42.216 39.995 136.562 1.00 0.00 H new ATOM 0 HA THR A 82 42.686 42.335 137.940 1.00 0.00 H new ATOM 0 HB THR A 82 45.034 41.945 137.575 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.095 40.199 135.521 1.00 0.00 H new ATOM 0 HG21 THR A 82 45.128 39.592 138.383 1.00 0.00 H new ATOM 0 HG22 THR A 82 43.811 40.489 139.176 1.00 0.00 H new ATOM 0 HG23 THR A 82 43.444 39.348 137.861 1.00 0.00 H new ATOM 238 N LEU A 83 43.114 42.370 134.623 1.00 0.00 N ATOM 239 CA LEU A 83 43.281 43.218 133.474 1.00 0.00 C ATOM 240 C LEU A 83 42.135 44.177 133.405 1.00 0.00 C ATOM 241 O LEU A 83 42.312 45.330 133.013 1.00 0.00 O ATOM 242 CB LEU A 83 43.324 42.441 132.145 1.00 0.00 C ATOM 243 CG LEU A 83 44.582 41.566 131.981 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.568 40.811 130.640 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.868 42.395 132.182 1.00 0.00 C ATOM 0 H LEU A 83 42.955 41.387 134.400 1.00 0.00 H new ATOM 0 HA LEU A 83 44.238 43.726 133.597 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.440 41.807 132.076 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.274 43.149 131.318 1.00 0.00 H new ATOM 0 HG LEU A 83 44.572 40.808 132.764 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.469 40.203 130.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.690 40.167 130.594 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.535 41.528 129.819 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.739 41.751 132.060 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.903 43.196 131.444 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.871 42.824 133.184 1.00 0.00 H new ATOM 257 N GLU A 84 40.919 43.721 133.769 1.00 0.00 N ATOM 258 CA GLU A 84 39.783 44.599 133.722 1.00 0.00 C ATOM 259 C GLU A 84 40.038 45.716 134.684 1.00 0.00 C ATOM 260 O GLU A 84 39.727 46.871 134.395 1.00 0.00 O ATOM 261 CB GLU A 84 38.468 43.946 134.175 1.00 0.00 C ATOM 262 CG GLU A 84 37.945 42.846 133.255 1.00 0.00 C ATOM 263 CD GLU A 84 36.651 42.332 133.870 1.00 0.00 C ATOM 264 OE1 GLU A 84 36.257 42.869 134.940 1.00 0.00 O ATOM 265 OE2 GLU A 84 36.038 41.404 133.277 1.00 0.00 O ATOM 0 H GLU A 84 40.723 42.772 134.088 1.00 0.00 H new ATOM 0 HA GLU A 84 39.670 44.909 132.683 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.611 43.528 135.171 1.00 0.00 H new ATOM 0 HB3 GLU A 84 37.706 44.720 134.261 1.00 0.00 H new ATOM 0 HG2 GLU A 84 37.768 43.234 132.252 1.00 0.00 H new ATOM 0 HG3 GLU A 84 38.674 42.041 133.162 1.00 0.00 H new ATOM 272 N ASP A 85 40.611 45.386 135.858 1.00 0.00 N ATOM 273 CA ASP A 85 40.896 46.356 136.879 1.00 0.00 C ATOM 274 C ASP A 85 41.914 47.313 136.345 1.00 0.00 C ATOM 275 O ASP A 85 41.861 48.511 136.616 1.00 0.00 O ATOM 276 CB ASP A 85 41.503 45.719 138.144 1.00 0.00 C ATOM 277 CG ASP A 85 41.756 46.796 139.199 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.758 47.355 139.725 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.952 47.060 139.502 1.00 0.00 O ATOM 0 H ASP A 85 40.881 44.434 136.104 1.00 0.00 H new ATOM 0 HA ASP A 85 39.955 46.838 137.144 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.827 44.961 138.540 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.437 45.215 137.895 1.00 0.00 H new ATOM 284 N ALA A 86 42.883 46.790 135.571 1.00 0.00 N ATOM 285 CA ALA A 86 43.937 47.601 135.031 1.00 0.00 C ATOM 286 C ALA A 86 43.357 48.614 134.096 1.00 0.00 C ATOM 287 O ALA A 86 43.820 49.752 134.040 1.00 0.00 O ATOM 288 CB ALA A 86 44.979 46.779 134.257 1.00 0.00 C ATOM 0 H ALA A 86 42.939 45.804 135.317 1.00 0.00 H new ATOM 0 HA ALA A 86 44.435 48.076 135.876 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.752 47.443 133.871 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.431 46.044 134.923 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.494 46.266 133.427 1.00 0.00 H new ATOM 294 N VAL A 87 42.336 48.219 133.316 1.00 0.00 N ATOM 295 CA VAL A 87 41.732 49.122 132.379 1.00 0.00 C ATOM 296 C VAL A 87 41.104 50.244 133.138 1.00 0.00 C ATOM 297 O VAL A 87 41.125 51.391 132.693 1.00 0.00 O ATOM 298 CB VAL A 87 40.651 48.484 131.558 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.985 49.573 130.695 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.279 47.335 130.748 1.00 0.00 C ATOM 0 H VAL A 87 41.929 47.284 133.331 1.00 0.00 H new ATOM 0 HA VAL A 87 42.522 49.455 131.706 1.00 0.00 H new ATOM 0 HB VAL A 87 39.861 48.046 132.169 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.196 49.126 130.091 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.557 50.339 131.342 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.730 50.025 130.041 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.511 46.855 130.142 1.00 0.00 H new ATOM 0 HG22 VAL A 87 42.059 47.732 130.098 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.713 46.604 131.430 1.00 0.00 H new ATOM 310 N LYS A 88 40.494 49.916 134.295 1.00 0.00 N ATOM 311 CA LYS A 88 39.821 50.873 135.123 1.00 0.00 C ATOM 312 C LYS A 88 40.819 51.869 135.628 1.00 0.00 C ATOM 313 O LYS A 88 40.670 53.071 135.408 1.00 0.00 O ATOM 314 CB LYS A 88 39.248 50.221 136.394 1.00 0.00 C ATOM 315 CG LYS A 88 38.386 48.978 136.159 1.00 0.00 C ATOM 316 CD LYS A 88 37.085 49.228 135.401 1.00 0.00 C ATOM 317 CE LYS A 88 36.329 47.932 135.097 1.00 0.00 C ATOM 318 NZ LYS A 88 35.840 47.314 136.351 1.00 0.00 N ATOM 0 H LYS A 88 40.468 48.965 134.663 1.00 0.00 H new ATOM 0 HA LYS A 88 39.030 51.315 134.517 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.076 49.950 137.049 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.651 50.962 136.925 1.00 0.00 H new ATOM 0 HG2 LYS A 88 38.975 48.245 135.608 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.146 48.533 137.125 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.447 49.889 135.988 1.00 0.00 H new ATOM 0 HD3 LYS A 88 37.305 49.745 134.467 1.00 0.00 H new ATOM 0 HE2 LYS A 88 35.489 48.140 134.435 1.00 0.00 H new ATOM 0 HE3 LYS A 88 36.983 47.236 134.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 35.217 46.513 136.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 36.649 46.975 136.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 35.310 48.019 136.902 1.00 0.00 H new ATOM 332 N HIS A 89 41.885 51.386 136.306 1.00 0.00 N ATOM 333 CA HIS A 89 42.835 52.308 136.863 1.00 0.00 C ATOM 334 C HIS A 89 44.213 51.924 136.426 1.00 0.00 C ATOM 335 O HIS A 89 44.816 50.975 136.927 1.00 0.00 O ATOM 336 CB HIS A 89 42.828 52.350 138.402 1.00 0.00 C ATOM 337 CG HIS A 89 41.561 52.927 138.951 1.00 0.00 C ATOM 338 ND1 HIS A 89 40.580 52.198 139.587 1.00 0.00 N ATOM 339 CD2 HIS A 89 41.113 54.211 138.931 1.00 0.00 C ATOM 340 CE1 HIS A 89 39.597 53.073 139.917 1.00 0.00 C ATOM 341 NE2 HIS A 89 39.873 54.307 139.539 1.00 0.00 N ATOM 0 H HIS A 89 42.084 50.398 136.464 1.00 0.00 H new ATOM 0 HA HIS A 89 42.546 53.295 136.501 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.963 51.341 138.791 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.674 52.942 138.751 1.00 0.00 H new ATOM 0 HD2 HIS A 89 41.651 55.042 138.500 1.00 0.00 H new ATOM 0 HE1 HIS A 89 38.690 52.791 140.431 1.00 0.00 H new ATOM 0 HE2 HIS A 89 39.302 55.142 139.666 1.00 0.00 H new ATOM 349 N PRO A 90 44.701 52.659 135.470 1.00 0.00 N ATOM 350 CA PRO A 90 46.030 52.423 134.974 1.00 0.00 C ATOM 351 C PRO A 90 47.115 52.798 135.935 1.00 0.00 C ATOM 352 O PRO A 90 48.189 52.205 135.880 1.00 0.00 O ATOM 353 CB PRO A 90 46.112 53.161 133.641 1.00 0.00 C ATOM 354 CG PRO A 90 44.658 53.170 133.139 1.00 0.00 C ATOM 355 CD PRO A 90 43.820 53.159 134.428 1.00 0.00 C ATOM 0 HA PRO A 90 46.203 51.355 134.839 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.499 54.172 133.766 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.774 52.651 132.941 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.450 54.053 132.535 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.445 52.301 132.517 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.459 54.159 134.668 1.00 0.00 H new ATOM 0 HD3 PRO A 90 42.943 52.521 134.319 1.00 0.00 H new ATOM 363 N GLU A 91 46.855 53.759 136.836 1.00 0.00 N ATOM 364 CA GLU A 91 47.845 54.260 137.745 1.00 0.00 C ATOM 365 C GLU A 91 48.300 53.150 138.638 1.00 0.00 C ATOM 366 O GLU A 91 49.438 53.152 139.107 1.00 0.00 O ATOM 367 CB GLU A 91 47.283 55.388 138.624 1.00 0.00 C ATOM 368 CG GLU A 91 46.086 54.942 139.463 1.00 0.00 C ATOM 369 CD GLU A 91 45.539 56.171 140.165 1.00 0.00 C ATOM 370 OE1 GLU A 91 46.130 57.266 139.980 1.00 0.00 O ATOM 371 OE2 GLU A 91 44.517 56.033 140.890 1.00 0.00 O ATOM 0 H GLU A 91 45.941 54.199 136.938 1.00 0.00 H new ATOM 0 HA GLU A 91 48.673 54.654 137.155 1.00 0.00 H new ATOM 0 HB2 GLU A 91 48.069 55.753 139.285 1.00 0.00 H new ATOM 0 HB3 GLU A 91 46.986 56.223 137.990 1.00 0.00 H new ATOM 0 HG2 GLU A 91 45.322 54.489 138.831 1.00 0.00 H new ATOM 0 HG3 GLU A 91 46.387 54.187 140.190 1.00 0.00 H new ATOM 378 N LYS A 92 47.397 52.198 138.934 1.00 0.00 N ATOM 379 CA LYS A 92 47.688 51.108 139.821 1.00 0.00 C ATOM 380 C LYS A 92 48.749 50.197 139.262 1.00 0.00 C ATOM 381 O LYS A 92 49.589 49.721 140.021 1.00 0.00 O ATOM 382 CB LYS A 92 46.458 50.230 140.130 1.00 0.00 C ATOM 383 CG LYS A 92 46.764 49.086 141.102 1.00 0.00 C ATOM 384 CD LYS A 92 45.528 48.353 141.638 1.00 0.00 C ATOM 385 CE LYS A 92 44.904 49.009 142.873 1.00 0.00 C ATOM 386 NZ LYS A 92 43.754 48.208 143.352 1.00 0.00 N ATOM 0 H LYS A 92 46.451 52.182 138.554 1.00 0.00 H new ATOM 0 HA LYS A 92 48.031 51.589 140.737 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.670 50.855 140.550 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.073 49.814 139.199 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.409 48.364 140.601 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.327 49.485 141.946 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.778 48.301 140.849 1.00 0.00 H new ATOM 0 HD3 LYS A 92 45.804 47.328 141.884 1.00 0.00 H new ATOM 0 HE2 LYS A 92 45.650 49.097 143.663 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.576 50.020 142.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 43.339 48.663 144.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.037 48.146 142.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 44.077 47.252 143.602 1.00 0.00 H new ATOM 400 N TYR A 93 48.745 49.894 137.942 1.00 0.00 N ATOM 401 CA TYR A 93 49.728 48.954 137.448 1.00 0.00 C ATOM 402 C TYR A 93 50.658 49.645 136.486 1.00 0.00 C ATOM 403 O TYR A 93 50.512 49.520 135.268 1.00 0.00 O ATOM 404 CB TYR A 93 49.083 47.791 136.662 1.00 0.00 C ATOM 405 CG TYR A 93 48.106 47.108 137.559 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.841 47.628 137.726 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.437 45.947 138.221 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.924 47.011 138.544 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.523 45.325 139.041 1.00 0.00 C ATOM 410 CZ TYR A 93 46.266 45.856 139.206 1.00 0.00 C ATOM 411 OH TYR A 93 45.329 45.217 140.048 1.00 0.00 O ATOM 0 H TYR A 93 48.101 50.273 137.247 1.00 0.00 H new ATOM 0 HA TYR A 93 50.249 48.568 138.324 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.582 48.167 135.770 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.847 47.089 136.327 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.566 48.534 137.207 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.422 45.521 138.096 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.937 47.433 138.666 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.795 44.416 139.557 1.00 0.00 H new ATOM 0 HH TYR A 93 44.472 45.690 140.001 1.00 0.00 H new ATOM 421 N PRO A 94 51.633 50.354 136.981 1.00 0.00 N ATOM 422 CA PRO A 94 52.545 51.038 136.107 1.00 0.00 C ATOM 423 C PRO A 94 53.464 50.146 135.339 1.00 0.00 C ATOM 424 O PRO A 94 53.789 50.472 134.197 1.00 0.00 O ATOM 425 CB PRO A 94 53.276 52.060 136.976 1.00 0.00 C ATOM 426 CG PRO A 94 52.271 52.357 138.103 1.00 0.00 C ATOM 427 CD PRO A 94 51.471 51.052 138.245 1.00 0.00 C ATOM 0 HA PRO A 94 51.990 51.527 135.306 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.211 51.659 137.367 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.526 52.960 136.414 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.779 52.616 139.032 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.623 53.196 137.849 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.844 50.452 139.075 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.420 51.257 138.448 1.00 0.00 H new ATOM 435 N GLN A 95 53.895 49.017 135.924 1.00 0.00 N ATOM 436 CA GLN A 95 54.864 48.235 135.220 1.00 0.00 C ATOM 437 C GLN A 95 54.233 46.930 134.852 1.00 0.00 C ATOM 438 O GLN A 95 54.916 45.915 134.722 1.00 0.00 O ATOM 439 CB GLN A 95 56.086 47.939 136.109 1.00 0.00 C ATOM 440 CG GLN A 95 57.232 47.199 135.419 1.00 0.00 C ATOM 441 CD GLN A 95 58.330 47.004 136.457 1.00 0.00 C ATOM 442 OE1 GLN A 95 58.066 47.459 137.712 1.00 0.00 O ATOM 443 NE2 GLN A 95 59.393 46.457 136.162 1.00 0.00 N ATOM 0 H GLN A 95 53.596 48.659 136.831 1.00 0.00 H new ATOM 0 HA GLN A 95 55.191 48.789 134.340 1.00 0.00 H new ATOM 0 HB2 GLN A 95 56.468 48.882 136.500 1.00 0.00 H new ATOM 0 HB3 GLN A 95 55.758 47.349 136.965 1.00 0.00 H new ATOM 0 HG2 GLN A 95 56.892 46.238 135.033 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.603 47.771 134.569 1.00 0.00 H new ATOM 0 HE21 GLN A 95 59.551 46.130 135.209 1.00 0.00 H new ATOM 0 HE22 GLN A 95 60.116 46.331 136.871 1.00 0.00 H new ATOM 452 N LEU A 96 52.906 46.914 134.637 1.00 0.00 N ATOM 453 CA LEU A 96 52.314 45.660 134.289 1.00 0.00 C ATOM 454 C LEU A 96 52.701 45.362 132.869 1.00 0.00 C ATOM 455 O LEU A 96 52.624 46.229 131.998 1.00 0.00 O ATOM 456 CB LEU A 96 50.777 45.660 134.390 1.00 0.00 C ATOM 457 CG LEU A 96 50.120 44.319 134.022 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.593 43.191 134.958 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.588 44.440 133.988 1.00 0.00 C ATOM 0 H LEU A 96 52.276 47.714 134.698 1.00 0.00 H new ATOM 0 HA LEU A 96 52.674 44.910 134.993 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.491 45.924 135.408 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.381 46.437 133.736 1.00 0.00 H new ATOM 0 HG LEU A 96 50.440 44.052 133.015 1.00 0.00 H new ATOM 0 HD11 LEU A 96 50.111 42.256 134.673 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.675 43.081 134.878 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.328 43.437 135.986 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.153 43.476 133.725 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.225 44.746 134.969 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.298 45.184 133.246 1.00 0.00 H new ATOM 471 N THR A 97 53.150 44.116 132.609 1.00 0.00 N ATOM 472 CA THR A 97 53.536 43.731 131.281 1.00 0.00 C ATOM 473 C THR A 97 52.905 42.425 130.916 1.00 0.00 C ATOM 474 O THR A 97 52.707 41.551 131.761 1.00 0.00 O ATOM 475 CB THR A 97 55.010 43.578 131.065 1.00 0.00 C ATOM 476 OG1 THR A 97 55.573 42.806 132.112 1.00 0.00 O ATOM 477 CG2 THR A 97 55.670 44.950 130.949 1.00 0.00 C ATOM 0 H THR A 97 53.245 43.382 133.311 1.00 0.00 H new ATOM 0 HA THR A 97 53.194 44.555 130.655 1.00 0.00 H new ATOM 0 HB THR A 97 55.190 43.049 130.129 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.537 42.708 131.964 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.742 44.826 130.792 1.00 0.00 H new ATOM 0 HG22 THR A 97 55.240 45.491 130.106 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.500 45.514 131.866 1.00 0.00 H new ATOM 485 N ILE A 98 52.574 42.283 129.615 1.00 0.00 N ATOM 486 CA ILE A 98 51.959 41.090 129.108 1.00 0.00 C ATOM 487 C ILE A 98 52.555 40.730 127.779 1.00 0.00 C ATOM 488 O ILE A 98 53.103 41.577 127.075 1.00 0.00 O ATOM 489 CB ILE A 98 50.477 41.240 128.910 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.179 42.398 127.941 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.812 41.374 130.289 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.706 42.509 127.551 1.00 0.00 C ATOM 0 H ILE A 98 52.734 43.002 128.909 1.00 0.00 H new ATOM 0 HA ILE A 98 52.139 40.315 129.853 1.00 0.00 H new ATOM 0 HB ILE A 98 50.048 40.358 128.434 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.496 43.335 128.400 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.776 42.267 127.038 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.735 41.484 130.164 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.020 40.483 130.881 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.209 42.250 130.801 1.00 0.00 H new ATOM 0 HD11 ILE A 98 48.573 43.347 126.867 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.389 41.588 127.063 1.00 0.00 H new ATOM 0 HD13 ILE A 98 48.104 42.672 128.445 1.00 0.00 H new ATOM 504 N ARG A 99 52.466 39.428 127.417 1.00 0.00 N ATOM 505 CA ARG A 99 52.957 38.932 126.155 1.00 0.00 C ATOM 506 C ARG A 99 51.805 38.964 125.193 1.00 0.00 C ATOM 507 O ARG A 99 50.778 38.325 125.417 1.00 0.00 O ATOM 508 CB ARG A 99 53.474 37.487 126.232 1.00 0.00 C ATOM 509 CG ARG A 99 54.777 37.372 127.016 1.00 0.00 C ATOM 510 CD ARG A 99 55.978 37.881 126.227 1.00 0.00 C ATOM 511 NE ARG A 99 57.160 37.853 127.129 1.00 0.00 N ATOM 512 CZ ARG A 99 58.388 37.508 126.649 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.530 37.143 125.342 1.00 0.00 N ATOM 514 NH2 ARG A 99 59.477 37.524 127.472 1.00 0.00 N ATOM 0 H ARG A 99 52.048 38.709 128.008 1.00 0.00 H new ATOM 0 HA ARG A 99 53.795 39.557 125.846 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.716 36.858 126.699 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.627 37.105 125.223 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.690 37.937 127.944 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.942 36.330 127.291 1.00 0.00 H new ATOM 0 HD2 ARG A 99 56.152 37.257 125.351 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.797 38.893 125.866 1.00 0.00 H new ATOM 0 HE ARG A 99 57.051 38.094 128.114 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.718 37.129 124.725 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.449 36.885 124.982 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.373 37.795 128.450 1.00 0.00 H new ATOM 0 HH22 ARG A 99 60.394 37.265 127.109 1.00 0.00 H new ATOM 528 N VAL A 100 51.900 39.844 124.172 1.00 0.00 N ATOM 529 CA VAL A 100 50.886 40.001 123.161 1.00 0.00 C ATOM 530 C VAL A 100 50.963 39.098 121.953 1.00 0.00 C ATOM 531 O VAL A 100 49.928 38.607 121.501 1.00 0.00 O ATOM 532 CB VAL A 100 50.743 41.430 122.716 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.197 42.252 123.900 1.00 0.00 C ATOM 534 CG2 VAL A 100 52.107 41.928 122.223 1.00 0.00 C ATOM 0 H VAL A 100 52.701 40.463 124.045 1.00 0.00 H new ATOM 0 HA VAL A 100 49.994 39.672 123.694 1.00 0.00 H new ATOM 0 HB VAL A 100 50.041 41.533 121.889 1.00 0.00 H new ATOM 0 HG11 VAL A 100 50.085 43.294 123.599 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.228 41.856 124.202 1.00 0.00 H new ATOM 0 HG13 VAL A 100 50.892 42.189 124.738 1.00 0.00 H new ATOM 0 HG21 VAL A 100 52.020 42.964 121.896 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.833 41.863 123.034 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.439 41.311 121.388 1.00 0.00 H new ATOM 544 N SER A 101 52.163 38.907 121.350 1.00 0.00 N ATOM 545 CA SER A 101 52.201 38.092 120.166 1.00 0.00 C ATOM 546 C SER A 101 53.633 37.799 119.795 1.00 0.00 C ATOM 547 O SER A 101 53.983 37.738 118.615 1.00 0.00 O ATOM 548 CB SER A 101 51.536 38.803 118.973 1.00 0.00 C ATOM 549 OG SER A 101 51.538 37.963 117.830 1.00 0.00 O ATOM 0 H SER A 101 53.055 39.292 121.660 1.00 0.00 H new ATOM 0 HA SER A 101 51.659 37.172 120.384 1.00 0.00 H new ATOM 0 HB2 SER A 101 50.512 39.076 119.229 1.00 0.00 H new ATOM 0 HB3 SER A 101 52.067 39.729 118.752 1.00 0.00 H new ATOM 0 HG SER A 101 52.428 37.568 117.716 1.00 0.00 H new ATOM 555 N GLY A 102 54.482 37.483 120.789 1.00 0.00 N ATOM 556 CA GLY A 102 55.862 37.223 120.498 1.00 0.00 C ATOM 557 C GLY A 102 56.706 38.295 121.119 1.00 0.00 C ATOM 558 O GLY A 102 57.931 38.195 121.109 1.00 0.00 O ATOM 0 H GLY A 102 54.224 37.408 121.773 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.150 36.246 120.886 1.00 0.00 H new ATOM 0 HA3 GLY A 102 56.020 37.197 119.420 1.00 0.00 H new ATOM 562 N TYR A 103 56.077 39.362 121.656 1.00 0.00 N ATOM 563 CA TYR A 103 56.826 40.385 122.329 1.00 0.00 C ATOM 564 C TYR A 103 56.004 40.828 123.510 1.00 0.00 C ATOM 565 O TYR A 103 54.869 40.381 123.673 1.00 0.00 O ATOM 566 CB TYR A 103 57.177 41.587 121.426 1.00 0.00 C ATOM 567 CG TYR A 103 55.935 42.316 121.049 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.112 41.840 120.053 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.587 43.474 121.707 1.00 0.00 C ATOM 570 CE1 TYR A 103 53.963 42.520 119.716 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.442 44.158 121.373 1.00 0.00 C ATOM 572 CZ TYR A 103 53.629 43.680 120.376 1.00 0.00 C ATOM 573 OH TYR A 103 52.452 44.377 120.033 1.00 0.00 O ATOM 0 H TYR A 103 55.069 39.515 121.626 1.00 0.00 H new ATOM 0 HA TYR A 103 57.787 39.973 122.637 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.859 42.258 121.948 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.693 41.242 120.530 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.369 40.929 119.533 1.00 0.00 H new ATOM 0 HD2 TYR A 103 56.222 43.850 122.496 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.323 42.142 118.932 1.00 0.00 H new ATOM 0 HE2 TYR A 103 54.183 45.068 121.893 1.00 0.00 H new ATOM 0 HH TYR A 103 52.367 45.174 120.598 1.00 0.00 H new ATOM 583 N ALA A 104 56.569 41.695 124.386 1.00 0.00 N ATOM 584 CA ALA A 104 55.861 42.117 125.566 1.00 0.00 C ATOM 585 C ALA A 104 55.573 43.583 125.459 1.00 0.00 C ATOM 586 O ALA A 104 56.239 44.304 124.716 1.00 0.00 O ATOM 587 CB ALA A 104 56.655 41.902 126.870 1.00 0.00 C ATOM 0 H ALA A 104 57.500 42.097 124.279 1.00 0.00 H new ATOM 0 HA ALA A 104 54.957 41.511 125.616 1.00 0.00 H new ATOM 0 HB1 ALA A 104 56.061 42.242 127.718 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.882 40.842 126.987 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.585 42.469 126.828 1.00 0.00 H new ATOM 593 N VAL A 105 54.530 44.050 126.179 1.00 0.00 N ATOM 594 CA VAL A 105 54.166 45.435 126.132 1.00 0.00 C ATOM 595 C VAL A 105 53.539 45.789 127.446 1.00 0.00 C ATOM 596 O VAL A 105 52.984 44.932 128.132 1.00 0.00 O ATOM 597 CB VAL A 105 53.175 45.700 125.036 1.00 0.00 C ATOM 598 CG1 VAL A 105 52.045 44.671 125.174 1.00 0.00 C ATOM 599 CG2 VAL A 105 52.680 47.147 125.118 1.00 0.00 C ATOM 0 H VAL A 105 53.946 43.475 126.786 1.00 0.00 H new ATOM 0 HA VAL A 105 55.056 46.033 125.938 1.00 0.00 H new ATOM 0 HB VAL A 105 53.626 45.590 124.050 1.00 0.00 H new ATOM 0 HG11 VAL A 105 51.305 44.836 124.391 1.00 0.00 H new ATOM 0 HG12 VAL A 105 52.455 43.665 125.080 1.00 0.00 H new ATOM 0 HG13 VAL A 105 51.571 44.780 126.149 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.961 47.332 124.319 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.201 47.314 126.083 1.00 0.00 H new ATOM 0 HG23 VAL A 105 53.525 47.827 125.010 1.00 0.00 H new ATOM 609 N ARG A 106 53.640 47.071 127.850 1.00 0.00 N ATOM 610 CA ARG A 106 53.004 47.470 129.069 1.00 0.00 C ATOM 611 C ARG A 106 51.557 47.568 128.721 1.00 0.00 C ATOM 612 O ARG A 106 51.202 48.006 127.629 1.00 0.00 O ATOM 613 CB ARG A 106 53.458 48.842 129.598 1.00 0.00 C ATOM 614 CG ARG A 106 54.953 48.901 129.906 1.00 0.00 C ATOM 615 CD ARG A 106 55.830 48.891 128.652 1.00 0.00 C ATOM 616 NE ARG A 106 57.250 48.941 129.096 1.00 0.00 N ATOM 617 CZ ARG A 106 57.916 47.784 129.384 1.00 0.00 C ATOM 618 NH1 ARG A 106 57.294 46.580 129.235 1.00 0.00 N ATOM 619 NH2 ARG A 106 59.208 47.834 129.816 1.00 0.00 N ATOM 0 H ARG A 106 54.143 47.807 127.354 1.00 0.00 H new ATOM 0 HA ARG A 106 53.248 46.753 129.852 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.215 49.607 128.861 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.897 49.080 130.502 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.163 49.803 130.481 1.00 0.00 H new ATOM 0 HG3 ARG A 106 55.221 48.052 130.535 1.00 0.00 H new ATOM 0 HD2 ARG A 106 55.645 47.993 128.062 1.00 0.00 H new ATOM 0 HD3 ARG A 106 55.598 49.745 128.015 1.00 0.00 H new ATOM 0 HE ARG A 106 57.725 49.839 129.185 1.00 0.00 H new ATOM 0 HH11 ARG A 106 56.329 46.542 128.908 1.00 0.00 H new ATOM 0 HH12 ARG A 106 57.794 45.718 129.451 1.00 0.00 H new ATOM 0 HH21 ARG A 106 59.675 48.734 129.924 1.00 0.00 H new ATOM 0 HH22 ARG A 106 59.707 46.971 130.032 1.00 0.00 H new ATOM 633 N PHE A 107 50.677 47.170 129.651 1.00 0.00 N ATOM 634 CA PHE A 107 49.266 47.131 129.394 1.00 0.00 C ATOM 635 C PHE A 107 48.782 48.520 129.096 1.00 0.00 C ATOM 636 O PHE A 107 47.960 48.735 128.205 1.00 0.00 O ATOM 637 CB PHE A 107 48.510 46.573 130.618 1.00 0.00 C ATOM 638 CG PHE A 107 47.092 46.320 130.248 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.756 45.218 129.495 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.098 47.170 130.675 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.448 44.973 129.154 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.787 46.928 130.338 1.00 0.00 C ATOM 643 CZ PHE A 107 44.462 45.833 129.578 1.00 0.00 C ATOM 0 H PHE A 107 50.940 46.872 130.590 1.00 0.00 H new ATOM 0 HA PHE A 107 49.077 46.479 128.541 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.979 45.650 130.959 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.561 47.281 131.445 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.529 44.538 129.169 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.348 48.031 131.277 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.195 44.110 128.556 1.00 0.00 H new ATOM 0 HE2 PHE A 107 44.012 47.601 130.672 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.432 45.646 129.313 1.00 0.00 H new ATOM 653 N ASN A 108 49.308 49.503 129.843 1.00 0.00 N ATOM 654 CA ASN A 108 48.922 50.884 129.768 1.00 0.00 C ATOM 655 C ASN A 108 49.286 51.480 128.440 1.00 0.00 C ATOM 656 O ASN A 108 48.735 52.508 128.055 1.00 0.00 O ATOM 657 CB ASN A 108 49.568 51.727 130.877 1.00 0.00 C ATOM 658 CG ASN A 108 48.998 51.223 132.196 1.00 0.00 C ATOM 659 OD1 ASN A 108 47.813 50.912 132.291 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.864 51.121 133.238 1.00 0.00 N ATOM 0 H ASN A 108 50.038 49.332 130.534 1.00 0.00 H new ATOM 0 HA ASN A 108 47.840 50.902 129.896 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.653 51.624 130.859 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.346 52.785 130.738 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.538 50.776 134.141 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.841 51.390 133.118 1.00 0.00 H new ATOM 667 N SER A 109 50.276 50.897 127.740 1.00 0.00 N ATOM 668 CA SER A 109 50.757 51.406 126.481 1.00 0.00 C ATOM 669 C SER A 109 49.741 51.240 125.385 1.00 0.00 C ATOM 670 O SER A 109 49.767 51.987 124.407 1.00 0.00 O ATOM 671 CB SER A 109 52.008 50.656 125.999 1.00 0.00 C ATOM 672 OG SER A 109 53.033 50.754 126.973 1.00 0.00 O ATOM 0 H SER A 109 50.757 50.053 128.051 1.00 0.00 H new ATOM 0 HA SER A 109 50.973 52.458 126.667 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.767 49.609 125.816 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.352 51.074 125.053 1.00 0.00 H new ATOM 0 HG SER A 109 53.828 50.273 126.661 1.00 0.00 H new ATOM 678 N LEU A 110 48.836 50.249 125.505 1.00 0.00 N ATOM 679 CA LEU A 110 47.923 49.894 124.449 1.00 0.00 C ATOM 680 C LEU A 110 46.758 50.833 124.350 1.00 0.00 C ATOM 681 O LEU A 110 46.449 51.589 125.271 1.00 0.00 O ATOM 682 CB LEU A 110 47.369 48.473 124.619 1.00 0.00 C ATOM 683 CG LEU A 110 48.483 47.410 124.615 1.00 0.00 C ATOM 684 CD1 LEU A 110 47.914 45.993 124.774 1.00 0.00 C ATOM 685 CD2 LEU A 110 49.376 47.558 123.375 1.00 0.00 C ATOM 0 H LEU A 110 48.733 49.683 126.347 1.00 0.00 H new ATOM 0 HA LEU A 110 48.515 49.957 123.536 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.813 48.411 125.555 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.664 48.261 123.815 1.00 0.00 H new ATOM 0 HG LEU A 110 49.118 47.579 125.485 1.00 0.00 H new ATOM 0 HD11 LEU A 110 48.730 45.270 124.767 1.00 0.00 H new ATOM 0 HD12 LEU A 110 47.374 45.921 125.718 1.00 0.00 H new ATOM 0 HD13 LEU A 110 47.233 45.780 123.950 1.00 0.00 H new ATOM 0 HD21 LEU A 110 50.155 46.796 123.395 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.773 47.437 122.475 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.835 48.547 123.373 1.00 0.00 H new ATOM 697 N THR A 111 46.097 50.794 123.170 1.00 0.00 N ATOM 698 CA THR A 111 44.940 51.579 122.828 1.00 0.00 C ATOM 699 C THR A 111 43.764 50.877 123.438 1.00 0.00 C ATOM 700 O THR A 111 43.867 49.709 123.804 1.00 0.00 O ATOM 701 CB THR A 111 44.689 51.567 121.347 1.00 0.00 C ATOM 702 OG1 THR A 111 45.842 52.001 120.647 1.00 0.00 O ATOM 703 CG2 THR A 111 43.510 52.492 121.020 1.00 0.00 C ATOM 0 H THR A 111 46.388 50.178 122.411 1.00 0.00 H new ATOM 0 HA THR A 111 45.088 52.603 123.170 1.00 0.00 H new ATOM 0 HB THR A 111 44.454 50.549 121.038 1.00 0.00 H new ATOM 0 HG1 THR A 111 45.664 51.986 119.683 1.00 0.00 H new ATOM 0 HG21 THR A 111 43.328 52.483 119.945 1.00 0.00 H new ATOM 0 HG22 THR A 111 42.619 52.144 121.542 1.00 0.00 H new ATOM 0 HG23 THR A 111 43.744 53.507 121.340 1.00 0.00 H new ATOM 711 N PRO A 112 42.644 51.537 123.574 1.00 0.00 N ATOM 712 CA PRO A 112 41.508 50.857 124.125 1.00 0.00 C ATOM 713 C PRO A 112 41.065 49.712 123.269 1.00 0.00 C ATOM 714 O PRO A 112 40.625 48.698 123.813 1.00 0.00 O ATOM 715 CB PRO A 112 40.463 51.939 124.376 1.00 0.00 C ATOM 716 CG PRO A 112 41.318 53.190 124.660 1.00 0.00 C ATOM 717 CD PRO A 112 42.624 52.961 123.874 1.00 0.00 C ATOM 0 HA PRO A 112 41.733 50.358 125.068 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.814 52.082 123.512 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.819 51.690 125.220 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.812 54.098 124.331 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.513 53.302 125.727 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.644 53.556 122.961 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.494 53.252 124.463 1.00 0.00 H new ATOM 725 N GLU A 113 41.161 49.853 121.933 1.00 0.00 N ATOM 726 CA GLU A 113 40.761 48.801 121.042 1.00 0.00 C ATOM 727 C GLU A 113 41.724 47.664 121.150 1.00 0.00 C ATOM 728 O GLU A 113 41.331 46.500 121.108 1.00 0.00 O ATOM 729 CB GLU A 113 40.699 49.236 119.566 1.00 0.00 C ATOM 730 CG GLU A 113 40.117 48.160 118.648 1.00 0.00 C ATOM 731 CD GLU A 113 39.805 48.785 117.294 1.00 0.00 C ATOM 732 OE1 GLU A 113 39.096 49.828 117.275 1.00 0.00 O ATOM 733 OE2 GLU A 113 40.265 48.229 116.262 1.00 0.00 O ATOM 0 H GLU A 113 41.514 50.690 121.470 1.00 0.00 H new ATOM 0 HA GLU A 113 39.755 48.511 121.345 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.095 50.140 119.485 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.703 49.491 119.226 1.00 0.00 H new ATOM 0 HG2 GLU A 113 40.826 47.340 118.531 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.212 47.739 119.087 1.00 0.00 H new ATOM 740 N GLN A 114 43.022 47.987 121.285 1.00 0.00 N ATOM 741 CA GLN A 114 44.062 47.002 121.360 1.00 0.00 C ATOM 742 C GLN A 114 43.873 46.199 122.608 1.00 0.00 C ATOM 743 O GLN A 114 44.108 44.992 122.618 1.00 0.00 O ATOM 744 CB GLN A 114 45.460 47.642 121.378 1.00 0.00 C ATOM 745 CG GLN A 114 45.776 48.369 120.067 1.00 0.00 C ATOM 746 CD GLN A 114 47.076 49.142 120.221 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.556 49.358 121.332 1.00 0.00 O ATOM 748 NE2 GLN A 114 47.663 49.577 119.074 1.00 0.00 N ATOM 0 H GLN A 114 43.358 48.948 121.343 1.00 0.00 H new ATOM 0 HA GLN A 114 43.997 46.370 120.474 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.526 48.346 122.208 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.210 46.871 121.554 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.861 47.651 119.251 1.00 0.00 H new ATOM 0 HG3 GLN A 114 44.964 49.049 119.810 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.231 49.376 118.172 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.535 50.104 119.116 1.00 0.00 H new ATOM 757 N GLN A 115 43.455 46.858 123.705 1.00 0.00 N ATOM 758 CA GLN A 115 43.223 46.188 124.951 1.00 0.00 C ATOM 759 C GLN A 115 42.064 45.259 124.790 1.00 0.00 C ATOM 760 O GLN A 115 42.059 44.163 125.351 1.00 0.00 O ATOM 761 CB GLN A 115 42.882 47.140 126.108 1.00 0.00 C ATOM 762 CG GLN A 115 44.053 48.019 126.544 1.00 0.00 C ATOM 763 CD GLN A 115 43.620 48.777 127.792 1.00 0.00 C ATOM 764 OE1 GLN A 115 42.450 48.753 128.172 1.00 0.00 O ATOM 765 NE2 GLN A 115 44.585 49.475 128.448 1.00 0.00 N ATOM 0 H GLN A 115 43.276 47.862 123.730 1.00 0.00 H new ATOM 0 HA GLN A 115 44.150 45.672 125.199 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.051 47.779 125.809 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.542 46.554 126.961 1.00 0.00 H new ATOM 0 HG2 GLN A 115 44.933 47.410 126.752 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.327 48.714 125.750 1.00 0.00 H new ATOM 0 HE21 GLN A 115 45.544 49.469 128.100 1.00 0.00 H new ATOM 0 HE22 GLN A 115 44.350 50.004 129.288 1.00 0.00 H new ATOM 774 N ARG A 116 41.053 45.670 124.000 1.00 0.00 N ATOM 775 CA ARG A 116 39.877 44.862 123.836 1.00 0.00 C ATOM 776 C ARG A 116 40.300 43.540 123.282 1.00 0.00 C ATOM 777 O ARG A 116 39.765 42.500 123.658 1.00 0.00 O ATOM 778 CB ARG A 116 38.847 45.412 122.829 1.00 0.00 C ATOM 779 CG ARG A 116 38.120 46.683 123.269 1.00 0.00 C ATOM 780 CD ARG A 116 36.874 46.981 122.429 1.00 0.00 C ATOM 781 NE ARG A 116 37.314 47.072 121.010 1.00 0.00 N ATOM 782 CZ ARG A 116 36.393 47.059 120.004 1.00 0.00 C ATOM 783 NH1 ARG A 116 35.062 46.990 120.297 1.00 0.00 N ATOM 784 NH2 ARG A 116 36.801 47.118 118.703 1.00 0.00 N ATOM 0 H ARG A 116 41.046 46.548 123.481 1.00 0.00 H new ATOM 0 HA ARG A 116 39.408 44.824 124.819 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.356 45.612 121.886 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.105 44.638 122.633 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.831 46.586 124.316 1.00 0.00 H new ATOM 0 HG3 ARG A 116 38.806 47.528 123.205 1.00 0.00 H new ATOM 0 HD2 ARG A 116 36.130 46.194 122.552 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.408 47.913 122.748 1.00 0.00 H new ATOM 0 HE ARG A 116 38.307 47.144 120.789 1.00 0.00 H new ATOM 0 HH11 ARG A 116 34.755 46.948 121.269 1.00 0.00 H new ATOM 0 HH12 ARG A 116 34.374 46.980 119.544 1.00 0.00 H new ATOM 0 HH21 ARG A 116 37.795 47.172 118.482 1.00 0.00 H new ATOM 0 HH22 ARG A 116 36.112 47.108 117.951 1.00 0.00 H new ATOM 798 N ASP A 117 41.280 43.553 122.361 1.00 0.00 N ATOM 799 CA ASP A 117 41.744 42.355 121.722 1.00 0.00 C ATOM 800 C ASP A 117 42.280 41.427 122.766 1.00 0.00 C ATOM 801 O ASP A 117 41.958 40.240 122.768 1.00 0.00 O ATOM 802 CB ASP A 117 42.890 42.656 120.731 1.00 0.00 C ATOM 803 CG ASP A 117 43.361 41.386 120.031 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.805 40.292 120.317 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.295 41.502 119.192 1.00 0.00 O ATOM 0 H ASP A 117 41.757 44.401 122.055 1.00 0.00 H new ATOM 0 HA ASP A 117 40.907 41.914 121.181 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.552 43.379 119.989 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.725 43.112 121.264 1.00 0.00 H new ATOM 810 N VAL A 118 43.101 41.948 123.697 1.00 0.00 N ATOM 811 CA VAL A 118 43.750 41.113 124.673 1.00 0.00 C ATOM 812 C VAL A 118 42.769 40.461 125.613 1.00 0.00 C ATOM 813 O VAL A 118 42.774 39.242 125.783 1.00 0.00 O ATOM 814 CB VAL A 118 44.710 41.880 125.524 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.343 40.911 126.538 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.715 42.586 124.605 1.00 0.00 C ATOM 0 H VAL A 118 43.317 42.942 123.778 1.00 0.00 H new ATOM 0 HA VAL A 118 44.274 40.359 124.086 1.00 0.00 H new ATOM 0 HB VAL A 118 44.224 42.662 126.108 1.00 0.00 H new ATOM 0 HG11 VAL A 118 46.047 41.453 127.169 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.562 40.473 127.160 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.869 40.119 126.005 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.425 43.152 125.209 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.252 41.844 124.014 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.184 43.265 123.938 1.00 0.00 H new ATOM 826 N ILE A 119 41.858 41.249 126.215 1.00 0.00 N ATOM 827 CA ILE A 119 40.964 40.736 127.223 1.00 0.00 C ATOM 828 C ILE A 119 40.125 39.638 126.649 1.00 0.00 C ATOM 829 O ILE A 119 39.788 38.683 127.345 1.00 0.00 O ATOM 830 CB ILE A 119 40.064 41.791 127.802 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.147 42.390 126.724 1.00 0.00 C ATOM 832 CG2 ILE A 119 40.949 42.826 128.517 1.00 0.00 C ATOM 833 CD1 ILE A 119 38.012 43.237 127.298 1.00 0.00 C ATOM 0 H ILE A 119 41.736 42.240 126.008 1.00 0.00 H new ATOM 0 HA ILE A 119 41.590 40.360 128.032 1.00 0.00 H new ATOM 0 HB ILE A 119 39.381 41.365 128.537 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.744 43.004 126.049 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.722 41.582 126.128 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.321 43.606 128.948 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.514 42.336 129.310 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.640 43.271 127.801 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.403 43.629 126.484 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.393 42.621 127.950 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.430 44.065 127.870 1.00 0.00 H new ATOM 845 N ALA A 120 39.745 39.768 125.367 1.00 0.00 N ATOM 846 CA ALA A 120 38.905 38.851 124.649 1.00 0.00 C ATOM 847 C ALA A 120 39.551 37.499 124.504 1.00 0.00 C ATOM 848 O ALA A 120 38.839 36.505 124.394 1.00 0.00 O ATOM 849 CB ALA A 120 38.542 39.352 123.238 1.00 0.00 C ATOM 0 H ALA A 120 40.040 40.559 124.794 1.00 0.00 H new ATOM 0 HA ALA A 120 37.997 38.774 125.247 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.906 38.618 122.744 1.00 0.00 H new ATOM 0 HB2 ALA A 120 38.010 40.300 123.314 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.453 39.493 122.656 1.00 0.00 H new ATOM 855 N ARG A 121 40.900 37.425 124.448 1.00 0.00 N ATOM 856 CA ARG A 121 41.639 36.208 124.192 1.00 0.00 C ATOM 857 C ARG A 121 41.406 35.172 125.258 1.00 0.00 C ATOM 858 O ARG A 121 40.909 35.466 126.344 1.00 0.00 O ATOM 859 CB ARG A 121 43.158 36.441 124.044 1.00 0.00 C ATOM 860 CG ARG A 121 43.497 37.303 122.821 1.00 0.00 C ATOM 861 CD ARG A 121 44.986 37.615 122.627 1.00 0.00 C ATOM 862 NE ARG A 121 45.105 38.438 121.387 1.00 0.00 N ATOM 863 CZ ARG A 121 46.232 39.168 121.137 1.00 0.00 C ATOM 864 NH1 ARG A 121 47.238 39.218 122.054 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.357 39.848 119.960 1.00 0.00 N ATOM 0 H ARG A 121 41.501 38.238 124.585 1.00 0.00 H new ATOM 0 HA ARG A 121 41.255 35.842 123.240 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.539 36.925 124.944 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.665 35.480 123.960 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.130 36.797 121.928 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.953 38.244 122.900 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.381 38.155 123.487 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.563 36.695 122.535 1.00 0.00 H new ATOM 0 HE ARG A 121 44.335 38.455 120.718 1.00 0.00 H new ATOM 0 HH11 ARG A 121 47.152 38.708 122.933 1.00 0.00 H new ATOM 0 HH12 ARG A 121 48.077 39.765 121.861 1.00 0.00 H new ATOM 0 HH21 ARG A 121 45.609 39.811 119.268 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.198 40.393 119.773 1.00 0.00 H new ATOM 879 N THR A 122 41.737 33.896 124.942 1.00 0.00 N ATOM 880 CA THR A 122 41.442 32.814 125.842 1.00 0.00 C ATOM 881 C THR A 122 42.402 32.775 126.984 1.00 0.00 C ATOM 882 O THR A 122 43.617 32.903 126.829 1.00 0.00 O ATOM 883 CB THR A 122 41.432 31.452 125.206 1.00 0.00 C ATOM 884 OG1 THR A 122 40.797 30.518 126.067 1.00 0.00 O ATOM 885 CG2 THR A 122 42.879 31.014 124.940 1.00 0.00 C ATOM 0 H THR A 122 42.201 33.619 124.077 1.00 0.00 H new ATOM 0 HA THR A 122 40.430 33.030 126.183 1.00 0.00 H new ATOM 0 HB THR A 122 40.881 31.493 124.266 1.00 0.00 H new ATOM 0 HG1 THR A 122 40.793 29.634 125.645 1.00 0.00 H new ATOM 0 HG21 THR A 122 42.881 30.027 124.479 1.00 0.00 H new ATOM 0 HG22 THR A 122 43.358 31.728 124.271 1.00 0.00 H new ATOM 0 HG23 THR A 122 43.426 30.976 125.882 1.00 0.00 H new ATOM 893 N PHE A 123 41.839 32.607 128.193 1.00 0.00 N ATOM 894 CA PHE A 123 42.644 32.452 129.359 1.00 0.00 C ATOM 895 C PHE A 123 42.432 31.034 129.766 1.00 0.00 C ATOM 896 O PHE A 123 41.348 30.673 130.222 1.00 0.00 O ATOM 897 CB PHE A 123 42.188 33.331 130.536 1.00 0.00 C ATOM 898 CG PHE A 123 42.458 34.762 130.217 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.649 35.469 129.354 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.521 35.405 130.808 1.00 0.00 C ATOM 901 CE1 PHE A 123 41.910 36.791 129.080 1.00 0.00 C ATOM 902 CE2 PHE A 123 43.787 36.726 130.538 1.00 0.00 C ATOM 903 CZ PHE A 123 42.979 37.421 129.672 1.00 0.00 C ATOM 0 H PHE A 123 40.833 32.579 128.361 1.00 0.00 H new ATOM 0 HA PHE A 123 43.673 32.730 129.133 1.00 0.00 H new ATOM 0 HB2 PHE A 123 41.125 33.183 130.724 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.716 33.043 131.445 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.804 34.982 128.890 1.00 0.00 H new ATOM 0 HD2 PHE A 123 44.156 34.864 131.494 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.274 37.336 128.398 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.629 37.216 131.005 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.183 38.460 129.457 1.00 0.00 H new ATOM 913 N THR A 124 43.465 30.184 129.622 1.00 0.00 N ATOM 914 CA THR A 124 43.247 28.816 129.970 1.00 0.00 C ATOM 915 C THR A 124 43.119 28.745 131.448 1.00 0.00 C ATOM 916 O THR A 124 43.793 29.457 132.188 1.00 0.00 O ATOM 917 CB THR A 124 44.333 27.878 129.524 1.00 0.00 C ATOM 918 OG1 THR A 124 44.427 27.887 128.106 1.00 0.00 O ATOM 919 CG2 THR A 124 44.022 26.458 130.030 1.00 0.00 C ATOM 0 H THR A 124 44.398 30.423 129.285 1.00 0.00 H new ATOM 0 HA THR A 124 42.346 28.490 129.451 1.00 0.00 H new ATOM 0 HB THR A 124 45.288 28.203 129.938 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.138 27.275 127.821 1.00 0.00 H new ATOM 0 HG21 THR A 124 44.809 25.776 129.707 1.00 0.00 H new ATOM 0 HG22 THR A 124 43.970 26.463 131.119 1.00 0.00 H new ATOM 0 HG23 THR A 124 43.066 26.128 129.623 1.00 0.00 H new ATOM 927 N GLU A 125 42.215 27.873 131.919 1.00 0.00 N ATOM 928 CA GLU A 125 41.998 27.790 133.327 1.00 0.00 C ATOM 929 C GLU A 125 42.507 26.476 133.788 1.00 0.00 C ATOM 930 O GLU A 125 42.997 25.670 133.000 1.00 0.00 O ATOM 931 CB GLU A 125 40.523 27.941 133.711 1.00 0.00 C ATOM 932 CG GLU A 125 40.042 29.361 133.417 1.00 0.00 C ATOM 933 CD GLU A 125 38.534 29.348 133.264 1.00 0.00 C ATOM 934 OE1 GLU A 125 37.841 28.756 134.134 1.00 0.00 O ATOM 935 OE2 GLU A 125 38.057 29.939 132.259 1.00 0.00 O ATOM 0 H GLU A 125 41.650 27.244 131.348 1.00 0.00 H new ATOM 0 HA GLU A 125 42.526 28.614 133.807 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.920 27.223 133.155 1.00 0.00 H new ATOM 0 HB3 GLU A 125 40.391 27.717 134.769 1.00 0.00 H new ATOM 0 HG2 GLU A 125 40.333 30.032 134.225 1.00 0.00 H new ATOM 0 HG3 GLU A 125 40.510 29.736 132.507 1.00 0.00 H new ATOM 942 N SER A 126 42.434 26.238 135.102 1.00 0.00 N ATOM 943 CA SER A 126 42.926 25.000 135.603 1.00 0.00 C ATOM 944 C SER A 126 42.096 23.945 134.990 1.00 0.00 C ATOM 945 O SER A 126 41.063 24.220 134.380 1.00 0.00 O ATOM 946 CB SER A 126 42.823 24.872 137.132 1.00 0.00 C ATOM 947 OG SER A 126 41.460 24.886 137.534 1.00 0.00 O ATOM 0 H SER A 126 42.049 26.876 135.798 1.00 0.00 H new ATOM 0 HA SER A 126 43.985 24.922 135.357 1.00 0.00 H new ATOM 0 HB2 SER A 126 43.297 23.947 137.460 1.00 0.00 H new ATOM 0 HB3 SER A 126 43.359 25.692 137.610 1.00 0.00 H new ATOM 0 HG SER A 126 41.406 24.802 138.509 1.00 0.00 H new ATOM 953 N LEU A 127 42.567 22.697 135.102 1.00 0.00 N ATOM 954 CA LEU A 127 41.804 21.629 134.556 1.00 0.00 C ATOM 955 C LEU A 127 41.734 21.860 133.057 1.00 0.00 C ATOM 956 O LEU A 127 40.606 21.781 132.503 1.00 0.00 O ATOM 957 CB LEU A 127 40.361 21.622 135.082 1.00 0.00 C ATOM 958 CG LEU A 127 40.254 21.635 136.619 1.00 0.00 C ATOM 959 CD1 LEU A 127 38.792 21.521 137.084 1.00 0.00 C ATOM 960 CD2 LEU A 127 41.181 20.595 137.265 1.00 0.00 C ATOM 961 OXT LEU A 127 42.808 22.122 132.449 1.00 0.00 O ATOM 0 H LEU A 127 43.443 22.433 135.553 1.00 0.00 H new ATOM 0 HA LEU A 127 42.275 20.685 134.830 1.00 0.00 H new ATOM 0 HB2 LEU A 127 39.836 22.490 134.684 1.00 0.00 H new ATOM 0 HB3 LEU A 127 39.850 20.738 134.700 1.00 0.00 H new ATOM 0 HG LEU A 127 40.608 22.605 136.969 1.00 0.00 H new ATOM 0 HD11 LEU A 127 38.755 21.533 138.173 1.00 0.00 H new ATOM 0 HD12 LEU A 127 38.219 22.361 136.692 1.00 0.00 H new ATOM 0 HD13 LEU A 127 38.365 20.588 136.717 1.00 0.00 H new ATOM 0 HD21 LEU A 127 41.075 20.637 138.349 1.00 0.00 H new ATOM 0 HD22 LEU A 127 40.912 19.599 136.912 1.00 0.00 H new ATOM 0 HD23 LEU A 127 42.214 20.810 136.993 1.00 0.00 H new TER 973 LEU A 127