USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 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 92 LYS NZ :NH3+ -164:sc= 0.744 (180deg=-0.00583) USER MOD Set 1.2: A 93 TYR OH : rot 8:sc= 0.745 USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.668 K(o=-3.4,f=-8!) USER MOD Set 2.2: A 74 ASN : amide:sc= -2.76! C(o=-3.4!,f=-7.7!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 76 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.8!) USER MOD Single : A 82 THR OG1 : rot -74:sc= -2.52! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-3.1!) USER MOD Single : A 95 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.2!) USER MOD Single : A 97 THR OG1 : rot 51:sc= 0.223 USER MOD Single : A 101 SER OG : rot 71:sc= 0.546 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.732 K(o=0.73,f=-3.3!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -91:sc= -1.92! USER MOD Single : A 114 GLN : amide:sc= -1.74 K(o=-1.7,f=-8.1!) USER MOD Single : A 115 GLN : amide:sc= -1.71! C(o=-1.7!,f=-6.9!) 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= -0.0659 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 59.524 16.525 122.854 1.00 0.00 N ATOM 2 CA GLU A 68 60.799 17.181 122.503 1.00 0.00 C ATOM 3 C GLU A 68 60.546 18.405 121.687 1.00 0.00 C ATOM 4 O GLU A 68 59.402 18.823 121.513 1.00 0.00 O ATOM 5 CB GLU A 68 61.669 16.208 121.686 1.00 0.00 C ATOM 6 CG GLU A 68 63.121 16.647 121.505 1.00 0.00 C ATOM 7 CD GLU A 68 63.794 15.632 120.596 1.00 0.00 C ATOM 8 OE1 GLU A 68 63.723 15.818 119.351 1.00 0.00 O ATOM 9 OE2 GLU A 68 64.377 14.653 121.132 1.00 0.00 O ATOM 0 HA GLU A 68 61.312 17.462 123.423 1.00 0.00 H new ATOM 0 HB2 GLU A 68 61.657 15.234 122.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 61.218 16.077 120.702 1.00 0.00 H new ATOM 0 HG2 GLU A 68 63.169 17.644 121.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 63.630 16.696 122.468 1.00 0.00 H new ATOM 15 N GLY A 69 61.638 19.022 121.195 1.00 0.00 N ATOM 16 CA GLY A 69 61.547 20.172 120.354 1.00 0.00 C ATOM 17 C GLY A 69 61.202 21.320 121.224 1.00 0.00 C ATOM 18 O GLY A 69 61.149 21.199 122.446 1.00 0.00 O ATOM 0 H GLY A 69 62.593 18.718 121.384 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.491 20.349 119.839 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.787 20.029 119.586 1.00 0.00 H new ATOM 22 N GLY A 70 60.958 22.486 120.605 1.00 0.00 N ATOM 23 CA GLY A 70 60.582 23.605 121.398 1.00 0.00 C ATOM 24 C GLY A 70 60.371 24.724 120.466 1.00 0.00 C ATOM 25 O GLY A 70 61.308 25.270 119.887 1.00 0.00 O ATOM 0 H GLY A 70 61.018 22.650 119.600 1.00 0.00 H new ATOM 0 HA2 GLY A 70 59.674 23.393 121.962 1.00 0.00 H new ATOM 0 HA3 GLY A 70 61.359 23.845 122.123 1.00 0.00 H new ATOM 29 N GLN A 71 59.100 25.092 120.293 1.00 0.00 N ATOM 30 CA GLN A 71 58.877 26.258 119.528 1.00 0.00 C ATOM 31 C GLN A 71 58.989 27.325 120.562 1.00 0.00 C ATOM 32 O GLN A 71 59.654 27.131 121.578 1.00 0.00 O ATOM 33 CB GLN A 71 57.491 26.336 118.864 1.00 0.00 C ATOM 34 CG GLN A 71 57.393 27.487 117.860 1.00 0.00 C ATOM 35 CD GLN A 71 56.059 27.405 117.140 1.00 0.00 C ATOM 36 OE1 GLN A 71 54.998 27.298 117.756 1.00 0.00 O ATOM 37 NE2 GLN A 71 56.113 27.456 115.783 1.00 0.00 N ATOM 0 H GLN A 71 58.275 24.616 120.658 1.00 0.00 H new ATOM 0 HA GLN A 71 59.572 26.319 118.691 1.00 0.00 H new ATOM 0 HB2 GLN A 71 57.280 25.395 118.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 56.729 26.461 119.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 57.485 28.444 118.374 1.00 0.00 H new ATOM 0 HG3 GLN A 71 58.212 27.431 117.143 1.00 0.00 H new ATOM 0 HE21 GLN A 71 57.013 27.545 115.311 1.00 0.00 H new ATOM 0 HE22 GLN A 71 55.253 27.405 115.236 1.00 0.00 H new ATOM 46 N HIS A 72 58.396 28.493 120.294 1.00 0.00 N ATOM 47 CA HIS A 72 58.368 29.609 121.189 1.00 0.00 C ATOM 48 C HIS A 72 57.197 29.453 122.109 1.00 0.00 C ATOM 49 O HIS A 72 56.283 28.675 121.834 1.00 0.00 O ATOM 50 CB HIS A 72 58.221 30.928 120.406 1.00 0.00 C ATOM 51 CG HIS A 72 57.864 32.141 121.213 1.00 0.00 C ATOM 52 ND1 HIS A 72 58.610 32.945 122.019 1.00 0.00 N ATOM 53 CD2 HIS A 72 56.595 32.677 121.221 1.00 0.00 C ATOM 54 CE1 HIS A 72 57.838 33.974 122.530 1.00 0.00 C ATOM 55 NE2 HIS A 72 56.635 33.771 122.021 1.00 0.00 N ATOM 0 H HIS A 72 57.912 28.673 119.414 1.00 0.00 H new ATOM 0 HA HIS A 72 59.300 29.640 121.753 1.00 0.00 H new ATOM 0 HB2 HIS A 72 59.159 31.125 119.888 1.00 0.00 H new ATOM 0 HB3 HIS A 72 57.457 30.789 119.641 1.00 0.00 H new ATOM 0 HD2 HIS A 72 55.733 32.298 120.691 1.00 0.00 H new ATOM 0 HE1 HIS A 72 58.149 34.766 123.196 1.00 0.00 H new ATOM 0 HE2 HIS A 72 55.830 34.368 122.208 1.00 0.00 H new ATOM 63 N LEU A 73 57.230 30.135 123.277 1.00 0.00 N ATOM 64 CA LEU A 73 56.079 30.083 124.138 1.00 0.00 C ATOM 65 C LEU A 73 56.053 31.310 125.004 1.00 0.00 C ATOM 66 O LEU A 73 57.004 31.601 125.725 1.00 0.00 O ATOM 67 CB LEU A 73 56.053 28.863 125.073 1.00 0.00 C ATOM 68 CG LEU A 73 54.793 28.804 125.951 1.00 0.00 C ATOM 69 CD1 LEU A 73 53.535 28.642 125.086 1.00 0.00 C ATOM 70 CD2 LEU A 73 54.915 27.724 127.037 1.00 0.00 C ATOM 0 H LEU A 73 58.012 30.696 123.614 1.00 0.00 H new ATOM 0 HA LEU A 73 55.215 30.016 123.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 56.115 27.953 124.476 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.935 28.885 125.714 1.00 0.00 H new ATOM 0 HG LEU A 73 54.695 29.753 126.478 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.655 28.602 125.728 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.450 29.489 124.405 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.606 27.719 124.510 1.00 0.00 H new ATOM 0 HD21 LEU A 73 54.007 27.710 127.640 1.00 0.00 H new ATOM 0 HD22 LEU A 73 55.055 26.750 126.568 1.00 0.00 H new ATOM 0 HD23 LEU A 73 55.770 27.945 127.675 1.00 0.00 H new ATOM 82 N ASN A 74 54.934 32.067 124.956 1.00 0.00 N ATOM 83 CA ASN A 74 54.773 33.219 125.802 1.00 0.00 C ATOM 84 C ASN A 74 53.979 32.762 126.977 1.00 0.00 C ATOM 85 O ASN A 74 52.971 32.073 126.815 1.00 0.00 O ATOM 86 CB ASN A 74 54.012 34.393 125.156 1.00 0.00 C ATOM 87 CG ASN A 74 55.003 35.203 124.331 1.00 0.00 C ATOM 88 OD1 ASN A 74 54.579 35.672 123.128 1.00 0.00 O ATOM 89 ND2 ASN A 74 56.134 35.427 124.758 1.00 0.00 N ATOM 0 H ASN A 74 54.145 31.883 124.336 1.00 0.00 H new ATOM 0 HA ASN A 74 55.768 33.595 126.040 1.00 0.00 H new ATOM 0 HB2 ASN A 74 53.205 34.022 124.524 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.555 35.018 125.923 1.00 0.00 H new ATOM 0 HD21 ASN A 74 56.788 35.981 124.204 1.00 0.00 H new ATOM 0 HD22 ASN A 74 56.419 35.059 125.666 1.00 0.00 H new ATOM 96 N VAL A 75 54.416 33.112 128.206 1.00 0.00 N ATOM 97 CA VAL A 75 53.698 32.635 129.352 1.00 0.00 C ATOM 98 C VAL A 75 53.185 33.789 130.150 1.00 0.00 C ATOM 99 O VAL A 75 53.937 34.665 130.574 1.00 0.00 O ATOM 100 CB VAL A 75 54.540 31.799 130.280 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.718 31.475 131.539 1.00 0.00 C ATOM 102 CG2 VAL A 75 55.019 30.553 129.513 1.00 0.00 C ATOM 0 H VAL A 75 55.228 33.698 128.402 1.00 0.00 H new ATOM 0 HA VAL A 75 52.892 32.016 128.957 1.00 0.00 H new ATOM 0 HB VAL A 75 55.431 32.329 130.617 1.00 0.00 H new ATOM 0 HG11 VAL A 75 54.317 30.870 132.219 1.00 0.00 H new ATOM 0 HG12 VAL A 75 53.432 32.402 132.035 1.00 0.00 H new ATOM 0 HG13 VAL A 75 52.822 30.923 131.256 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.631 29.935 130.170 1.00 0.00 H new ATOM 0 HG22 VAL A 75 54.156 29.980 129.175 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.610 30.861 128.650 1.00 0.00 H new ATOM 112 N ASN A 76 51.855 33.811 130.365 1.00 0.00 N ATOM 113 CA ASN A 76 51.280 34.837 131.176 1.00 0.00 C ATOM 114 C ASN A 76 50.433 34.164 132.201 1.00 0.00 C ATOM 115 O ASN A 76 49.560 33.360 131.876 1.00 0.00 O ATOM 116 CB ASN A 76 50.412 35.851 130.409 1.00 0.00 C ATOM 117 CG ASN A 76 51.355 36.770 129.642 1.00 0.00 C ATOM 118 OD1 ASN A 76 51.161 36.839 128.298 1.00 0.00 O ATOM 119 ND2 ASN A 76 52.236 37.405 130.220 1.00 0.00 N ATOM 0 H ASN A 76 51.193 33.134 129.986 1.00 0.00 H new ATOM 0 HA ASN A 76 52.102 35.413 131.602 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.736 35.338 129.725 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.793 36.425 131.098 1.00 0.00 H new ATOM 0 HD21 ASN A 76 52.858 38.014 129.688 1.00 0.00 H new ATOM 0 HD22 ASN A 76 52.345 37.322 131.231 1.00 0.00 H new ATOM 126 N VAL A 77 50.719 34.454 133.482 1.00 0.00 N ATOM 127 CA VAL A 77 49.949 33.926 134.565 1.00 0.00 C ATOM 128 C VAL A 77 49.194 35.083 135.131 1.00 0.00 C ATOM 129 O VAL A 77 49.757 35.932 135.819 1.00 0.00 O ATOM 130 CB VAL A 77 50.804 33.312 135.643 1.00 0.00 C ATOM 131 CG1 VAL A 77 51.346 31.969 135.130 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.944 34.292 135.974 1.00 0.00 C ATOM 0 H VAL A 77 51.489 35.058 133.769 1.00 0.00 H new ATOM 0 HA VAL A 77 49.300 33.130 134.201 1.00 0.00 H new ATOM 0 HB VAL A 77 50.231 33.127 136.552 1.00 0.00 H new ATOM 0 HG11 VAL A 77 51.968 31.510 135.899 1.00 0.00 H new ATOM 0 HG12 VAL A 77 50.513 31.307 134.894 1.00 0.00 H new ATOM 0 HG13 VAL A 77 51.942 32.136 134.233 1.00 0.00 H new ATOM 0 HG21 VAL A 77 52.575 33.866 136.753 1.00 0.00 H new ATOM 0 HG22 VAL A 77 52.542 34.470 135.080 1.00 0.00 H new ATOM 0 HG23 VAL A 77 51.523 35.235 136.323 1.00 0.00 H new ATOM 142 N LEU A 78 47.878 35.149 134.847 1.00 0.00 N ATOM 143 CA LEU A 78 47.149 36.290 135.314 1.00 0.00 C ATOM 144 C LEU A 78 45.687 35.954 135.329 1.00 0.00 C ATOM 145 O LEU A 78 45.282 34.880 134.896 1.00 0.00 O ATOM 146 CB LEU A 78 47.363 37.496 134.381 1.00 0.00 C ATOM 147 CG LEU A 78 46.637 38.790 134.781 1.00 0.00 C ATOM 148 CD1 LEU A 78 47.158 39.316 136.127 1.00 0.00 C ATOM 149 CD2 LEU A 78 46.741 39.843 133.663 1.00 0.00 C ATOM 0 H LEU A 78 47.343 34.455 134.324 1.00 0.00 H new ATOM 0 HA LEU A 78 47.503 36.547 136.312 1.00 0.00 H new ATOM 0 HB2 LEU A 78 48.432 37.704 134.326 1.00 0.00 H new ATOM 0 HB3 LEU A 78 47.041 37.217 133.378 1.00 0.00 H new ATOM 0 HG LEU A 78 45.578 38.568 134.914 1.00 0.00 H new ATOM 0 HD11 LEU A 78 46.629 40.232 136.389 1.00 0.00 H new ATOM 0 HD12 LEU A 78 46.990 38.566 136.900 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.225 39.523 136.048 1.00 0.00 H new ATOM 0 HD21 LEU A 78 46.220 40.750 133.968 1.00 0.00 H new ATOM 0 HD22 LEU A 78 47.790 40.072 133.476 1.00 0.00 H new ATOM 0 HD23 LEU A 78 46.287 39.453 132.752 1.00 0.00 H new ATOM 161 N ARG A 79 44.860 36.881 135.862 1.00 0.00 N ATOM 162 CA ARG A 79 43.438 36.714 135.908 1.00 0.00 C ATOM 163 C ARG A 79 42.854 37.804 135.063 1.00 0.00 C ATOM 164 O ARG A 79 43.397 38.906 135.003 1.00 0.00 O ATOM 165 CB ARG A 79 42.873 36.881 137.327 1.00 0.00 C ATOM 166 CG ARG A 79 43.420 35.839 138.302 1.00 0.00 C ATOM 167 CD ARG A 79 43.048 36.090 139.762 1.00 0.00 C ATOM 168 NE ARG A 79 43.714 37.358 140.171 1.00 0.00 N ATOM 169 CZ ARG A 79 43.681 37.743 141.480 1.00 0.00 C ATOM 170 NH1 ARG A 79 43.027 36.971 142.395 1.00 0.00 N ATOM 171 NH2 ARG A 79 44.294 38.897 141.875 1.00 0.00 N ATOM 0 H ARG A 79 45.186 37.759 136.266 1.00 0.00 H new ATOM 0 HA ARG A 79 43.190 35.710 135.563 1.00 0.00 H new ATOM 0 HB2 ARG A 79 43.113 37.879 137.695 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.786 36.806 137.293 1.00 0.00 H new ATOM 0 HG2 ARG A 79 43.052 34.856 138.009 1.00 0.00 H new ATOM 0 HG3 ARG A 79 44.506 35.812 138.215 1.00 0.00 H new ATOM 0 HD2 ARG A 79 41.967 36.168 139.876 1.00 0.00 H new ATOM 0 HD3 ARG A 79 43.376 35.262 140.391 1.00 0.00 H new ATOM 0 HE ARG A 79 44.191 37.934 139.478 1.00 0.00 H new ATOM 0 HH11 ARG A 79 42.566 36.111 142.100 1.00 0.00 H new ATOM 0 HH12 ARG A 79 42.999 37.254 143.375 1.00 0.00 H new ATOM 0 HH21 ARG A 79 44.780 39.476 141.191 1.00 0.00 H new ATOM 0 HH22 ARG A 79 44.266 39.180 142.855 1.00 0.00 H new ATOM 185 N ARG A 80 41.714 37.517 134.394 1.00 0.00 N ATOM 186 CA ARG A 80 41.082 38.465 133.508 1.00 0.00 C ATOM 187 C ARG A 80 40.677 39.676 134.283 1.00 0.00 C ATOM 188 O ARG A 80 40.794 40.801 133.799 1.00 0.00 O ATOM 189 CB ARG A 80 39.757 37.978 132.880 1.00 0.00 C ATOM 190 CG ARG A 80 39.862 37.064 131.661 1.00 0.00 C ATOM 191 CD ARG A 80 38.506 36.773 130.995 1.00 0.00 C ATOM 192 NE ARG A 80 38.204 37.879 130.032 1.00 0.00 N ATOM 193 CZ ARG A 80 37.068 38.634 130.141 1.00 0.00 C ATOM 194 NH1 ARG A 80 36.163 38.385 131.131 1.00 0.00 N ATOM 195 NH2 ARG A 80 36.839 39.654 129.259 1.00 0.00 N ATOM 0 H ARG A 80 41.226 36.624 134.466 1.00 0.00 H new ATOM 0 HA ARG A 80 41.824 38.638 132.728 1.00 0.00 H new ATOM 0 HB2 ARG A 80 39.190 37.453 133.649 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.174 38.854 132.597 1.00 0.00 H new ATOM 0 HG2 ARG A 80 40.527 37.523 130.929 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.320 36.122 131.961 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.537 35.816 130.475 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.721 36.701 131.748 1.00 0.00 H new ATOM 0 HE ARG A 80 38.861 38.074 129.277 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.331 37.631 131.797 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.319 38.953 131.205 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.515 39.851 128.521 1.00 0.00 H new ATOM 0 HH22 ARG A 80 35.992 40.217 129.339 1.00 0.00 H new ATOM 209 N GLU A 81 40.183 39.463 135.514 1.00 0.00 N ATOM 210 CA GLU A 81 39.655 40.523 136.320 1.00 0.00 C ATOM 211 C GLU A 81 40.717 41.541 136.568 1.00 0.00 C ATOM 212 O GLU A 81 40.433 42.737 136.603 1.00 0.00 O ATOM 213 CB GLU A 81 39.192 40.049 137.704 1.00 0.00 C ATOM 214 CG GLU A 81 38.022 39.063 137.677 1.00 0.00 C ATOM 215 CD GLU A 81 38.587 37.646 137.657 1.00 0.00 C ATOM 216 OE1 GLU A 81 39.832 37.498 137.536 1.00 0.00 O ATOM 217 OE2 GLU A 81 37.776 36.690 137.773 1.00 0.00 O ATOM 0 H GLU A 81 40.148 38.545 135.958 1.00 0.00 H new ATOM 0 HA GLU A 81 38.805 40.923 135.768 1.00 0.00 H new ATOM 0 HB2 GLU A 81 40.034 39.581 138.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.905 40.919 138.295 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.386 39.205 138.551 1.00 0.00 H new ATOM 0 HG3 GLU A 81 37.400 39.236 136.798 1.00 0.00 H new ATOM 224 N THR A 82 41.972 41.098 136.750 1.00 0.00 N ATOM 225 CA THR A 82 43.034 42.007 137.077 1.00 0.00 C ATOM 226 C THR A 82 43.196 42.991 135.964 1.00 0.00 C ATOM 227 O THR A 82 43.395 44.182 136.200 1.00 0.00 O ATOM 228 CB THR A 82 44.362 41.326 137.227 1.00 0.00 C ATOM 229 OG1 THR A 82 44.817 40.851 135.967 1.00 0.00 O ATOM 230 CG2 THR A 82 44.185 40.141 138.191 1.00 0.00 C ATOM 0 H THR A 82 42.254 40.121 136.673 1.00 0.00 H new ATOM 0 HA THR A 82 42.758 42.472 138.024 1.00 0.00 H new ATOM 0 HB THR A 82 45.098 42.030 137.616 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.299 40.060 135.709 1.00 0.00 H new ATOM 0 HG21 THR A 82 45.139 39.629 138.317 1.00 0.00 H new ATOM 0 HG22 THR A 82 43.840 40.507 139.158 1.00 0.00 H new ATOM 0 HG23 THR A 82 43.451 39.446 137.783 1.00 0.00 H new ATOM 238 N LEU A 83 43.140 42.500 134.714 1.00 0.00 N ATOM 239 CA LEU A 83 43.284 43.319 133.547 1.00 0.00 C ATOM 240 C LEU A 83 42.133 44.265 133.451 1.00 0.00 C ATOM 241 O LEU A 83 42.301 45.421 133.062 1.00 0.00 O ATOM 242 CB LEU A 83 43.331 42.498 132.249 1.00 0.00 C ATOM 243 CG LEU A 83 44.641 41.704 132.116 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.680 40.884 130.813 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.849 42.644 132.292 1.00 0.00 C ATOM 0 H LEU A 83 42.991 41.512 134.507 1.00 0.00 H new ATOM 0 HA LEU A 83 44.230 43.850 133.653 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.486 41.810 132.225 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.223 43.165 131.394 1.00 0.00 H new ATOM 0 HG LEU A 83 44.694 40.967 132.917 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.621 40.337 130.755 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.849 40.179 130.802 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.598 41.555 129.958 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.772 42.072 132.196 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.821 43.419 131.526 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.810 43.106 133.278 1.00 0.00 H new ATOM 257 N GLU A 84 40.924 43.794 133.799 1.00 0.00 N ATOM 258 CA GLU A 84 39.768 44.629 133.690 1.00 0.00 C ATOM 259 C GLU A 84 39.972 45.801 134.593 1.00 0.00 C ATOM 260 O GLU A 84 39.653 46.932 134.231 1.00 0.00 O ATOM 261 CB GLU A 84 38.482 43.907 134.125 1.00 0.00 C ATOM 262 CG GLU A 84 38.103 42.722 133.232 1.00 0.00 C ATOM 263 CD GLU A 84 36.843 42.080 133.805 1.00 0.00 C ATOM 264 OE1 GLU A 84 35.956 42.837 134.280 1.00 0.00 O ATOM 265 OE2 GLU A 84 36.756 40.822 133.784 1.00 0.00 O ATOM 0 H GLU A 84 40.746 42.853 134.150 1.00 0.00 H new ATOM 0 HA GLU A 84 39.650 44.920 132.646 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.604 43.553 135.149 1.00 0.00 H new ATOM 0 HB3 GLU A 84 37.660 44.622 134.131 1.00 0.00 H new ATOM 0 HG2 GLU A 84 37.928 43.057 132.209 1.00 0.00 H new ATOM 0 HG3 GLU A 84 38.916 41.997 133.196 1.00 0.00 H new ATOM 272 N ASP A 85 40.517 45.550 135.800 1.00 0.00 N ATOM 273 CA ASP A 85 40.767 46.583 136.765 1.00 0.00 C ATOM 274 C ASP A 85 41.831 47.496 136.244 1.00 0.00 C ATOM 275 O ASP A 85 41.806 48.702 136.489 1.00 0.00 O ATOM 276 CB ASP A 85 41.251 46.051 138.123 1.00 0.00 C ATOM 277 CG ASP A 85 41.347 47.238 139.067 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.398 48.068 139.070 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.364 47.325 139.806 1.00 0.00 O ATOM 0 H ASP A 85 40.788 44.617 136.112 1.00 0.00 H new ATOM 0 HA ASP A 85 39.815 47.092 136.918 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.558 45.306 138.513 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.220 45.562 138.021 1.00 0.00 H new ATOM 284 N ALA A 86 42.810 46.929 135.520 1.00 0.00 N ATOM 285 CA ALA A 86 43.908 47.687 134.994 1.00 0.00 C ATOM 286 C ALA A 86 43.384 48.695 134.020 1.00 0.00 C ATOM 287 O ALA A 86 43.889 49.814 133.944 1.00 0.00 O ATOM 288 CB ALA A 86 44.949 46.815 134.271 1.00 0.00 C ATOM 0 H ALA A 86 42.844 45.935 135.295 1.00 0.00 H new ATOM 0 HA ALA A 86 44.402 48.161 135.842 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.755 47.446 133.896 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.357 46.082 134.967 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.474 46.298 133.437 1.00 0.00 H new ATOM 294 N VAL A 87 42.364 48.324 133.225 1.00 0.00 N ATOM 295 CA VAL A 87 41.851 49.264 132.267 1.00 0.00 C ATOM 296 C VAL A 87 41.220 50.410 133.003 1.00 0.00 C ATOM 297 O VAL A 87 41.300 51.558 132.564 1.00 0.00 O ATOM 298 CB VAL A 87 40.845 48.688 131.311 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.489 48.550 132.020 1.00 0.00 C ATOM 300 CG2 VAL A 87 40.820 49.556 130.040 1.00 0.00 C ATOM 0 H VAL A 87 41.907 47.412 133.238 1.00 0.00 H new ATOM 0 HA VAL A 87 42.701 49.582 131.663 1.00 0.00 H new ATOM 0 HB VAL A 87 41.114 47.681 130.992 1.00 0.00 H new ATOM 0 HG11 VAL A 87 38.758 48.132 131.328 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.594 47.889 132.880 1.00 0.00 H new ATOM 0 HG13 VAL A 87 39.152 49.531 132.355 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.094 49.150 129.336 1.00 0.00 H new ATOM 0 HG22 VAL A 87 40.540 50.576 130.302 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.809 49.557 129.581 1.00 0.00 H new ATOM 310 N LYS A 88 40.539 50.112 134.128 1.00 0.00 N ATOM 311 CA LYS A 88 39.897 51.115 134.929 1.00 0.00 C ATOM 312 C LYS A 88 40.918 52.051 135.502 1.00 0.00 C ATOM 313 O LYS A 88 40.801 53.265 135.335 1.00 0.00 O ATOM 314 CB LYS A 88 39.151 50.506 136.128 1.00 0.00 C ATOM 315 CG LYS A 88 38.547 51.545 137.074 1.00 0.00 C ATOM 316 CD LYS A 88 37.653 50.944 138.160 1.00 0.00 C ATOM 317 CE LYS A 88 37.036 51.994 139.088 1.00 0.00 C ATOM 318 NZ LYS A 88 36.374 51.333 140.234 1.00 0.00 N ATOM 0 H LYS A 88 40.432 49.163 134.487 1.00 0.00 H new ATOM 0 HA LYS A 88 39.196 51.628 134.271 1.00 0.00 H new ATOM 0 HB2 LYS A 88 38.355 49.860 135.758 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.840 49.875 136.689 1.00 0.00 H new ATOM 0 HG2 LYS A 88 39.354 52.103 137.548 1.00 0.00 H new ATOM 0 HG3 LYS A 88 37.965 52.259 136.491 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.854 50.373 137.688 1.00 0.00 H new ATOM 0 HD3 LYS A 88 38.238 50.242 138.755 1.00 0.00 H new ATOM 0 HE2 LYS A 88 37.809 52.673 139.447 1.00 0.00 H new ATOM 0 HE3 LYS A 88 36.313 52.597 138.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 35.958 52.054 140.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 35.624 50.703 139.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 37.074 50.777 140.766 1.00 0.00 H new ATOM 332 N HIS A 89 41.961 51.518 136.182 1.00 0.00 N ATOM 333 CA HIS A 89 42.935 52.395 136.782 1.00 0.00 C ATOM 334 C HIS A 89 44.311 52.029 136.317 1.00 0.00 C ATOM 335 O HIS A 89 44.912 51.051 136.760 1.00 0.00 O ATOM 336 CB HIS A 89 42.996 52.337 138.316 1.00 0.00 C ATOM 337 CG HIS A 89 41.786 52.895 138.995 1.00 0.00 C ATOM 338 ND1 HIS A 89 41.455 54.232 139.005 1.00 0.00 N ATOM 339 CD2 HIS A 89 40.830 52.266 139.726 1.00 0.00 C ATOM 340 CE1 HIS A 89 40.318 54.347 139.739 1.00 0.00 C ATOM 341 NE2 HIS A 89 39.902 53.181 140.197 1.00 0.00 N ATOM 0 H HIS A 89 42.128 50.520 136.314 1.00 0.00 H new ATOM 0 HA HIS A 89 42.618 53.393 136.478 1.00 0.00 H new ATOM 0 HB2 HIS A 89 43.127 51.300 138.625 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.875 52.885 138.655 1.00 0.00 H new ATOM 0 HD1 HIS A 89 41.965 54.989 138.550 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.798 51.203 139.914 1.00 0.00 H new ATOM 0 HE1 HIS A 89 39.813 55.283 139.926 1.00 0.00 H new ATOM 349 N PRO A 90 44.793 52.828 135.407 1.00 0.00 N ATOM 350 CA PRO A 90 46.116 52.648 134.873 1.00 0.00 C ATOM 351 C PRO A 90 47.219 52.968 135.837 1.00 0.00 C ATOM 352 O PRO A 90 48.277 52.349 135.757 1.00 0.00 O ATOM 353 CB PRO A 90 46.170 53.521 133.618 1.00 0.00 C ATOM 354 CG PRO A 90 44.708 53.600 133.152 1.00 0.00 C ATOM 355 CD PRO A 90 43.900 53.461 134.448 1.00 0.00 C ATOM 0 HA PRO A 90 46.289 51.595 134.649 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.572 54.510 133.838 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.809 53.080 132.853 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.499 54.545 132.650 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.470 52.805 132.446 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.567 54.435 134.807 1.00 0.00 H new ATOM 0 HD3 PRO A 90 43.006 52.858 134.289 1.00 0.00 H new ATOM 363 N GLU A 91 46.986 53.920 136.754 1.00 0.00 N ATOM 364 CA GLU A 91 47.986 54.404 137.659 1.00 0.00 C ATOM 365 C GLU A 91 48.421 53.289 138.551 1.00 0.00 C ATOM 366 O GLU A 91 49.549 53.274 139.045 1.00 0.00 O ATOM 367 CB GLU A 91 47.459 55.567 138.523 1.00 0.00 C ATOM 368 CG GLU A 91 48.486 56.117 139.510 1.00 0.00 C ATOM 369 CD GLU A 91 48.206 55.540 140.895 1.00 0.00 C ATOM 370 OE1 GLU A 91 47.845 54.338 141.002 1.00 0.00 O ATOM 371 OE2 GLU A 91 48.340 56.312 141.881 1.00 0.00 O ATOM 0 H GLU A 91 46.077 54.368 136.872 1.00 0.00 H new ATOM 0 HA GLU A 91 48.824 54.774 137.069 1.00 0.00 H new ATOM 0 HB2 GLU A 91 47.130 56.374 137.868 1.00 0.00 H new ATOM 0 HB3 GLU A 91 46.583 55.228 139.076 1.00 0.00 H new ATOM 0 HG2 GLU A 91 49.494 55.854 139.190 1.00 0.00 H new ATOM 0 HG3 GLU A 91 48.435 57.205 139.539 1.00 0.00 H new ATOM 378 N LYS A 92 47.496 52.357 138.823 1.00 0.00 N ATOM 379 CA LYS A 92 47.724 51.253 139.704 1.00 0.00 C ATOM 380 C LYS A 92 48.785 50.339 139.156 1.00 0.00 C ATOM 381 O LYS A 92 49.610 49.840 139.921 1.00 0.00 O ATOM 382 CB LYS A 92 46.450 50.418 139.879 1.00 0.00 C ATOM 383 CG LYS A 92 46.519 49.382 141.000 1.00 0.00 C ATOM 384 CD LYS A 92 45.156 48.770 141.334 1.00 0.00 C ATOM 385 CE LYS A 92 45.165 47.921 142.606 1.00 0.00 C ATOM 386 NZ LYS A 92 46.012 46.725 142.409 1.00 0.00 N ATOM 0 H LYS A 92 46.559 52.369 138.419 1.00 0.00 H new ATOM 0 HA LYS A 92 48.038 51.673 140.659 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.614 51.090 140.074 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.235 49.906 138.941 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.207 48.587 140.711 1.00 0.00 H new ATOM 0 HG3 LYS A 92 46.930 49.850 141.895 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.425 49.570 141.446 1.00 0.00 H new ATOM 0 HD3 LYS A 92 44.828 48.153 140.497 1.00 0.00 H new ATOM 0 HE2 LYS A 92 45.541 48.509 143.443 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.149 47.619 142.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 45.806 46.027 143.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 45.812 46.308 141.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 47.014 46.998 142.459 1.00 0.00 H new ATOM 400 N TYR A 93 48.793 50.059 137.831 1.00 0.00 N ATOM 401 CA TYR A 93 49.768 49.117 137.337 1.00 0.00 C ATOM 402 C TYR A 93 50.683 49.782 136.334 1.00 0.00 C ATOM 403 O TYR A 93 50.506 49.602 135.129 1.00 0.00 O ATOM 404 CB TYR A 93 49.102 47.956 136.574 1.00 0.00 C ATOM 405 CG TYR A 93 48.041 47.352 137.431 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.844 48.010 137.592 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.222 46.133 138.045 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.848 47.474 138.371 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.227 45.589 138.825 1.00 0.00 C ATOM 410 CZ TYR A 93 46.039 46.263 138.987 1.00 0.00 C ATOM 411 OH TYR A 93 45.014 45.715 139.785 1.00 0.00 O ATOM 0 H TYR A 93 48.163 50.458 137.135 1.00 0.00 H new ATOM 0 HA TYR A 93 50.307 48.753 138.212 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.670 48.318 135.641 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.846 47.204 136.311 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.686 48.959 137.100 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.152 45.600 137.914 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.916 48.005 138.498 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.379 44.635 139.309 1.00 0.00 H new ATOM 0 HH TYR A 93 44.202 46.255 139.691 1.00 0.00 H new ATOM 421 N PRO A 94 51.665 50.533 136.754 1.00 0.00 N ATOM 422 CA PRO A 94 52.561 51.132 135.796 1.00 0.00 C ATOM 423 C PRO A 94 53.475 50.148 135.124 1.00 0.00 C ATOM 424 O PRO A 94 53.781 50.314 133.945 1.00 0.00 O ATOM 425 CB PRO A 94 53.306 52.234 136.550 1.00 0.00 C ATOM 426 CG PRO A 94 52.326 52.634 137.665 1.00 0.00 C ATOM 427 CD PRO A 94 51.519 51.354 137.943 1.00 0.00 C ATOM 0 HA PRO A 94 52.001 51.545 134.957 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.251 51.873 136.957 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.540 53.077 135.900 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.855 52.972 138.556 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.678 53.452 137.350 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.896 50.837 138.825 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.471 51.585 138.133 1.00 0.00 H new ATOM 435 N GLN A 95 53.952 49.160 135.898 1.00 0.00 N ATOM 436 CA GLN A 95 54.893 48.128 135.560 1.00 0.00 C ATOM 437 C GLN A 95 54.293 47.015 134.753 1.00 0.00 C ATOM 438 O GLN A 95 55.018 46.293 134.072 1.00 0.00 O ATOM 439 CB GLN A 95 55.543 47.514 136.814 1.00 0.00 C ATOM 440 CG GLN A 95 56.705 46.578 136.492 1.00 0.00 C ATOM 441 CD GLN A 95 57.294 46.074 137.802 1.00 0.00 C ATOM 442 OE1 GLN A 95 56.415 45.812 138.807 1.00 0.00 O ATOM 443 NE2 GLN A 95 58.506 45.914 137.929 1.00 0.00 N ATOM 0 H GLN A 95 53.646 49.073 136.867 1.00 0.00 H new ATOM 0 HA GLN A 95 55.645 48.630 134.952 1.00 0.00 H new ATOM 0 HB2 GLN A 95 55.899 48.316 137.460 1.00 0.00 H new ATOM 0 HB3 GLN A 95 54.787 46.965 137.375 1.00 0.00 H new ATOM 0 HG2 GLN A 95 56.361 45.741 135.884 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.464 47.102 135.912 1.00 0.00 H new ATOM 0 HE21 GLN A 95 59.132 46.122 137.151 1.00 0.00 H new ATOM 0 HE22 GLN A 95 58.886 45.573 138.812 1.00 0.00 H new ATOM 452 N LEU A 96 52.963 46.819 134.849 1.00 0.00 N ATOM 453 CA LEU A 96 52.290 45.664 134.313 1.00 0.00 C ATOM 454 C LEU A 96 52.688 45.392 132.897 1.00 0.00 C ATOM 455 O LEU A 96 52.630 46.268 132.037 1.00 0.00 O ATOM 456 CB LEU A 96 50.753 45.795 134.376 1.00 0.00 C ATOM 457 CG LEU A 96 49.968 44.591 133.826 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.298 43.306 134.596 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.459 44.880 133.795 1.00 0.00 C ATOM 0 H LEU A 96 52.336 47.478 135.310 1.00 0.00 H new ATOM 0 HA LEU A 96 52.600 44.831 134.944 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.461 45.955 135.414 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.457 46.685 133.821 1.00 0.00 H new ATOM 0 HG LEU A 96 50.283 44.428 132.795 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.726 42.476 134.181 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.363 43.092 134.508 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.040 43.435 135.647 1.00 0.00 H new ATOM 0 HD21 LEU A 96 47.930 44.012 133.402 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.108 45.092 134.805 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.267 45.742 133.156 1.00 0.00 H new ATOM 471 N THR A 97 53.115 44.134 132.631 1.00 0.00 N ATOM 472 CA THR A 97 53.543 43.733 131.317 1.00 0.00 C ATOM 473 C THR A 97 52.882 42.426 130.965 1.00 0.00 C ATOM 474 O THR A 97 52.646 41.578 131.829 1.00 0.00 O ATOM 475 CB THR A 97 55.024 43.514 131.206 1.00 0.00 C ATOM 476 OG1 THR A 97 55.724 44.698 131.559 1.00 0.00 O ATOM 477 CG2 THR A 97 55.349 43.116 129.757 1.00 0.00 C ATOM 0 H THR A 97 53.163 43.393 133.330 1.00 0.00 H new ATOM 0 HA THR A 97 53.266 44.547 130.647 1.00 0.00 H new ATOM 0 HB THR A 97 55.334 42.722 131.887 1.00 0.00 H new ATOM 0 HG1 THR A 97 55.396 45.027 132.422 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.422 42.952 129.657 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.817 42.199 129.503 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.039 43.914 129.082 1.00 0.00 H new ATOM 485 N ILE A 98 52.562 42.243 129.661 1.00 0.00 N ATOM 486 CA ILE A 98 51.899 41.049 129.202 1.00 0.00 C ATOM 487 C ILE A 98 52.548 40.623 127.920 1.00 0.00 C ATOM 488 O ILE A 98 53.129 41.445 127.212 1.00 0.00 O ATOM 489 CB ILE A 98 50.469 41.273 128.792 1.00 0.00 C ATOM 490 CG1 ILE A 98 49.670 42.019 129.862 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.846 39.904 128.491 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.307 42.482 129.349 1.00 0.00 C ATOM 0 H ILE A 98 52.762 42.921 128.926 1.00 0.00 H new ATOM 0 HA ILE A 98 51.958 40.341 130.029 1.00 0.00 H new ATOM 0 HB ILE A 98 50.444 41.906 127.905 1.00 0.00 H new ATOM 0 HG12 ILE A 98 49.529 41.370 130.726 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.241 42.883 130.202 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.807 40.035 128.190 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.399 39.422 127.685 1.00 0.00 H new ATOM 0 HG23 ILE A 98 49.889 39.280 129.384 1.00 0.00 H new ATOM 0 HD11 ILE A 98 47.778 43.006 130.145 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.446 43.154 128.502 1.00 0.00 H new ATOM 0 HD13 ILE A 98 47.724 41.617 129.034 1.00 0.00 H new ATOM 504 N ARG A 99 52.459 39.317 127.585 1.00 0.00 N ATOM 505 CA ARG A 99 52.981 38.851 126.331 1.00 0.00 C ATOM 506 C ARG A 99 51.809 38.767 125.398 1.00 0.00 C ATOM 507 O ARG A 99 50.837 38.063 125.668 1.00 0.00 O ATOM 508 CB ARG A 99 53.657 37.476 126.423 1.00 0.00 C ATOM 509 CG ARG A 99 54.950 37.541 127.233 1.00 0.00 C ATOM 510 CD ARG A 99 56.041 38.349 126.532 1.00 0.00 C ATOM 511 NE ARG A 99 57.222 38.379 127.433 1.00 0.00 N ATOM 512 CZ ARG A 99 58.479 38.251 126.915 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.648 37.983 125.588 1.00 0.00 N ATOM 514 NH2 ARG A 99 59.573 38.390 127.720 1.00 0.00 N ATOM 0 H ARG A 99 52.034 38.597 128.170 1.00 0.00 H new ATOM 0 HA ARG A 99 53.754 39.539 125.989 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.973 36.763 126.884 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.873 37.108 125.420 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.743 37.985 128.207 1.00 0.00 H new ATOM 0 HG3 ARG A 99 55.312 36.529 127.415 1.00 0.00 H new ATOM 0 HD2 ARG A 99 56.300 37.895 125.575 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.694 39.360 126.321 1.00 0.00 H new ATOM 0 HE ARG A 99 57.094 38.495 128.438 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.835 37.878 124.981 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.588 37.888 125.203 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.453 38.590 128.713 1.00 0.00 H new ATOM 0 HH22 ARG A 99 60.510 38.293 127.328 1.00 0.00 H new ATOM 528 N VAL A 100 51.807 39.633 124.360 1.00 0.00 N ATOM 529 CA VAL A 100 50.749 39.674 123.385 1.00 0.00 C ATOM 530 C VAL A 100 50.871 38.792 122.171 1.00 0.00 C ATOM 531 O VAL A 100 49.861 38.248 121.725 1.00 0.00 O ATOM 532 CB VAL A 100 50.377 41.067 122.986 1.00 0.00 C ATOM 533 CG1 VAL A 100 49.720 41.728 124.212 1.00 0.00 C ATOM 534 CG2 VAL A 100 51.636 41.803 122.517 1.00 0.00 C ATOM 0 H VAL A 100 52.549 40.314 124.195 1.00 0.00 H new ATOM 0 HA VAL A 100 49.936 39.220 123.952 1.00 0.00 H new ATOM 0 HB VAL A 100 49.671 41.091 122.156 1.00 0.00 H new ATOM 0 HG11 VAL A 100 49.432 42.750 123.964 1.00 0.00 H new ATOM 0 HG12 VAL A 100 48.835 41.161 124.500 1.00 0.00 H new ATOM 0 HG13 VAL A 100 50.428 41.742 125.041 1.00 0.00 H new ATOM 0 HG21 VAL A 100 51.375 42.820 122.224 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.363 41.835 123.329 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.067 41.279 121.664 1.00 0.00 H new ATOM 544 N SER A 101 52.067 38.675 121.542 1.00 0.00 N ATOM 545 CA SER A 101 52.124 37.808 120.393 1.00 0.00 C ATOM 546 C SER A 101 53.549 37.622 119.947 1.00 0.00 C ATOM 547 O SER A 101 53.840 37.681 118.751 1.00 0.00 O ATOM 548 CB SER A 101 51.339 38.345 119.186 1.00 0.00 C ATOM 549 OG SER A 101 51.963 39.515 118.679 1.00 0.00 O ATOM 0 H SER A 101 52.935 39.143 121.804 1.00 0.00 H new ATOM 0 HA SER A 101 51.674 36.869 120.715 1.00 0.00 H new ATOM 0 HB2 SER A 101 51.289 37.584 118.407 1.00 0.00 H new ATOM 0 HB3 SER A 101 50.313 38.569 119.480 1.00 0.00 H new ATOM 0 HG SER A 101 52.802 39.272 118.234 1.00 0.00 H new ATOM 555 N GLY A 102 54.453 37.272 120.883 1.00 0.00 N ATOM 556 CA GLY A 102 55.833 37.085 120.537 1.00 0.00 C ATOM 557 C GLY A 102 56.657 38.165 121.172 1.00 0.00 C ATOM 558 O GLY A 102 57.887 38.106 121.151 1.00 0.00 O ATOM 0 H GLY A 102 54.234 37.120 121.867 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.174 36.106 120.874 1.00 0.00 H new ATOM 0 HA3 GLY A 102 55.954 37.109 119.454 1.00 0.00 H new ATOM 562 N TYR A 103 56.005 39.196 121.737 1.00 0.00 N ATOM 563 CA TYR A 103 56.737 40.236 122.396 1.00 0.00 C ATOM 564 C TYR A 103 55.954 40.648 123.605 1.00 0.00 C ATOM 565 O TYR A 103 54.877 40.112 123.860 1.00 0.00 O ATOM 566 CB TYR A 103 56.997 41.468 121.512 1.00 0.00 C ATOM 567 CG TYR A 103 55.689 41.966 121.007 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.173 41.473 119.832 1.00 0.00 C ATOM 569 CD2 TYR A 103 54.974 42.914 121.701 1.00 0.00 C ATOM 570 CE1 TYR A 103 53.966 41.921 119.351 1.00 0.00 C ATOM 571 CE2 TYR A 103 53.767 43.366 121.224 1.00 0.00 C ATOM 572 CZ TYR A 103 53.263 42.872 120.045 1.00 0.00 C ATOM 573 OH TYR A 103 52.024 43.335 119.552 1.00 0.00 O ATOM 0 H TYR A 103 54.992 39.311 121.740 1.00 0.00 H new ATOM 0 HA TYR A 103 57.719 39.839 122.654 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.504 42.245 122.084 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.651 41.207 120.680 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.723 40.725 119.280 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.364 43.306 122.628 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.572 41.524 118.427 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.214 44.111 121.777 1.00 0.00 H new ATOM 0 HH TYR A 103 51.658 44.006 120.165 1.00 0.00 H new ATOM 583 N ALA A 104 56.497 41.590 124.406 1.00 0.00 N ATOM 584 CA ALA A 104 55.833 42.029 125.600 1.00 0.00 C ATOM 585 C ALA A 104 55.492 43.479 125.445 1.00 0.00 C ATOM 586 O ALA A 104 56.152 44.205 124.703 1.00 0.00 O ATOM 587 CB ALA A 104 56.711 41.915 126.861 1.00 0.00 C ATOM 0 H ALA A 104 57.392 42.045 124.227 1.00 0.00 H new ATOM 0 HA ALA A 104 54.959 41.390 125.727 1.00 0.00 H new ATOM 0 HB1 ALA A 104 56.149 42.263 127.728 1.00 0.00 H new ATOM 0 HB2 ALA A 104 57.001 40.875 127.010 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.605 42.527 126.738 1.00 0.00 H new ATOM 593 N VAL A 105 54.409 43.918 126.130 1.00 0.00 N ATOM 594 CA VAL A 105 53.997 45.290 126.084 1.00 0.00 C ATOM 595 C VAL A 105 53.467 45.662 127.434 1.00 0.00 C ATOM 596 O VAL A 105 52.958 44.823 128.175 1.00 0.00 O ATOM 597 CB VAL A 105 52.865 45.523 125.125 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.355 45.219 123.701 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.669 44.656 125.562 1.00 0.00 C ATOM 0 H VAL A 105 53.823 43.321 126.713 1.00 0.00 H new ATOM 0 HA VAL A 105 54.863 45.874 125.772 1.00 0.00 H new ATOM 0 HB VAL A 105 52.529 46.560 125.130 1.00 0.00 H new ATOM 0 HG11 VAL A 105 52.542 45.384 122.994 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.189 45.876 123.455 1.00 0.00 H new ATOM 0 HG13 VAL A 105 53.682 44.181 123.642 1.00 0.00 H new ATOM 0 HG21 VAL A 105 50.836 44.812 124.876 1.00 0.00 H new ATOM 0 HG22 VAL A 105 51.957 43.605 125.549 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.366 44.936 126.571 1.00 0.00 H new ATOM 609 N ARG A 106 53.595 46.949 127.806 1.00 0.00 N ATOM 610 CA ARG A 106 53.000 47.369 129.038 1.00 0.00 C ATOM 611 C ARG A 106 51.546 47.484 128.693 1.00 0.00 C ATOM 612 O ARG A 106 51.204 47.889 127.585 1.00 0.00 O ATOM 613 CB ARG A 106 53.519 48.737 129.527 1.00 0.00 C ATOM 614 CG ARG A 106 55.024 48.748 129.846 1.00 0.00 C ATOM 615 CD ARG A 106 55.574 50.126 130.226 1.00 0.00 C ATOM 616 NE ARG A 106 57.053 50.001 130.391 1.00 0.00 N ATOM 617 CZ ARG A 106 57.591 49.743 131.619 1.00 0.00 C ATOM 618 NH1 ARG A 106 56.782 49.652 132.714 1.00 0.00 N ATOM 619 NH2 ARG A 106 58.939 49.572 131.756 1.00 0.00 N ATOM 0 H ARG A 106 54.088 47.671 127.281 1.00 0.00 H new ATOM 0 HA ARG A 106 53.227 46.671 129.844 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.313 49.488 128.764 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.965 49.028 130.419 1.00 0.00 H new ATOM 0 HG2 ARG A 106 55.216 48.054 130.664 1.00 0.00 H new ATOM 0 HG3 ARG A 106 55.571 48.377 128.979 1.00 0.00 H new ATOM 0 HD2 ARG A 106 55.337 50.858 129.454 1.00 0.00 H new ATOM 0 HD3 ARG A 106 55.116 50.478 131.150 1.00 0.00 H new ATOM 0 HE ARG A 106 57.665 50.109 129.582 1.00 0.00 H new ATOM 0 HH11 ARG A 106 55.774 49.777 132.615 1.00 0.00 H new ATOM 0 HH12 ARG A 106 57.185 49.459 133.631 1.00 0.00 H new ATOM 0 HH21 ARG A 106 59.547 49.637 130.940 1.00 0.00 H new ATOM 0 HH22 ARG A 106 59.338 49.379 132.675 1.00 0.00 H new ATOM 633 N PHE A 107 50.646 47.122 129.623 1.00 0.00 N ATOM 634 CA PHE A 107 49.229 47.112 129.369 1.00 0.00 C ATOM 635 C PHE A 107 48.769 48.508 129.044 1.00 0.00 C ATOM 636 O PHE A 107 47.957 48.712 128.143 1.00 0.00 O ATOM 637 CB PHE A 107 48.432 46.585 130.585 1.00 0.00 C ATOM 638 CG PHE A 107 46.999 46.344 130.221 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.642 45.282 129.419 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.000 47.152 130.712 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.323 45.046 129.093 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.681 46.922 130.393 1.00 0.00 C ATOM 643 CZ PHE A 107 44.336 45.869 129.580 1.00 0.00 C ATOM 0 H PHE A 107 50.899 46.831 130.567 1.00 0.00 H new ATOM 0 HA PHE A 107 49.045 46.444 128.528 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.881 45.659 130.945 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.488 47.305 131.401 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.409 44.623 129.039 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.254 47.980 131.358 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.065 44.214 128.455 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.913 47.573 130.784 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.301 45.690 129.327 1.00 0.00 H new ATOM 653 N ASN A 108 49.309 49.509 129.764 1.00 0.00 N ATOM 654 CA ASN A 108 48.944 50.894 129.648 1.00 0.00 C ATOM 655 C ASN A 108 49.312 51.445 128.304 1.00 0.00 C ATOM 656 O ASN A 108 48.793 52.482 127.898 1.00 0.00 O ATOM 657 CB ASN A 108 49.593 51.775 130.726 1.00 0.00 C ATOM 658 CG ASN A 108 48.912 51.410 132.032 1.00 0.00 C ATOM 659 OD1 ASN A 108 48.048 50.534 132.065 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.297 52.101 133.138 1.00 0.00 N ATOM 0 H ASN A 108 50.036 49.348 130.462 1.00 0.00 H new ATOM 0 HA ASN A 108 47.863 50.920 129.782 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.667 51.595 130.782 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.459 52.832 130.498 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.865 51.901 134.040 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.017 52.819 133.065 1.00 0.00 H new ATOM 667 N SER A 109 50.281 50.813 127.626 1.00 0.00 N ATOM 668 CA SER A 109 50.783 51.207 126.338 1.00 0.00 C ATOM 669 C SER A 109 49.752 51.032 125.252 1.00 0.00 C ATOM 670 O SER A 109 49.762 51.774 124.272 1.00 0.00 O ATOM 671 CB SER A 109 51.995 50.342 125.959 1.00 0.00 C ATOM 672 OG SER A 109 52.291 50.483 124.581 1.00 0.00 O ATOM 0 H SER A 109 50.744 49.981 127.991 1.00 0.00 H new ATOM 0 HA SER A 109 51.053 52.260 126.416 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.859 50.635 126.555 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.789 49.296 126.188 1.00 0.00 H new ATOM 0 HG SER A 109 53.066 49.928 124.354 1.00 0.00 H new ATOM 678 N LEU A 110 48.843 50.047 125.393 1.00 0.00 N ATOM 679 CA LEU A 110 47.879 49.674 124.385 1.00 0.00 C ATOM 680 C LEU A 110 46.787 50.693 124.246 1.00 0.00 C ATOM 681 O LEU A 110 46.526 51.491 125.142 1.00 0.00 O ATOM 682 CB LEU A 110 47.152 48.357 124.722 1.00 0.00 C ATOM 683 CG LEU A 110 48.038 47.099 124.764 1.00 0.00 C ATOM 684 CD1 LEU A 110 47.215 45.848 125.122 1.00 0.00 C ATOM 685 CD2 LEU A 110 48.804 46.919 123.446 1.00 0.00 C ATOM 0 H LEU A 110 48.772 49.485 126.241 1.00 0.00 H new ATOM 0 HA LEU A 110 48.468 49.582 123.472 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.666 48.469 125.691 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.364 48.200 123.986 1.00 0.00 H new ATOM 0 HG LEU A 110 48.777 47.235 125.554 1.00 0.00 H new ATOM 0 HD11 LEU A 110 47.869 44.976 125.144 1.00 0.00 H new ATOM 0 HD12 LEU A 110 46.757 45.982 126.102 1.00 0.00 H new ATOM 0 HD13 LEU A 110 46.436 45.699 124.374 1.00 0.00 H new ATOM 0 HD21 LEU A 110 49.422 46.023 123.504 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.095 46.819 122.624 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.440 47.787 123.273 1.00 0.00 H new ATOM 697 N THR A 111 46.130 50.675 123.064 1.00 0.00 N ATOM 698 CA THR A 111 45.003 51.517 122.795 1.00 0.00 C ATOM 699 C THR A 111 43.807 50.769 123.303 1.00 0.00 C ATOM 700 O THR A 111 43.898 49.581 123.609 1.00 0.00 O ATOM 701 CB THR A 111 44.829 51.806 121.327 1.00 0.00 C ATOM 702 OG1 THR A 111 43.874 52.830 121.128 1.00 0.00 O ATOM 703 CG2 THR A 111 44.343 50.544 120.613 1.00 0.00 C ATOM 0 H THR A 111 46.387 50.067 122.287 1.00 0.00 H new ATOM 0 HA THR A 111 45.140 52.484 123.279 1.00 0.00 H new ATOM 0 HB THR A 111 45.790 52.127 120.925 1.00 0.00 H new ATOM 0 HG1 THR A 111 42.985 52.432 121.019 1.00 0.00 H new ATOM 0 HG21 THR A 111 44.217 50.753 119.551 1.00 0.00 H new ATOM 0 HG22 THR A 111 45.076 49.748 120.742 1.00 0.00 H new ATOM 0 HG23 THR A 111 43.389 50.231 121.037 1.00 0.00 H new ATOM 711 N PRO A 112 42.683 51.415 123.426 1.00 0.00 N ATOM 712 CA PRO A 112 41.538 50.725 123.945 1.00 0.00 C ATOM 713 C PRO A 112 41.129 49.556 123.105 1.00 0.00 C ATOM 714 O PRO A 112 40.661 48.561 123.658 1.00 0.00 O ATOM 715 CB PRO A 112 40.463 51.796 124.114 1.00 0.00 C ATOM 716 CG PRO A 112 41.274 53.079 124.399 1.00 0.00 C ATOM 717 CD PRO A 112 42.632 52.843 123.707 1.00 0.00 C ATOM 0 HA PRO A 112 41.749 50.251 124.904 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.853 51.898 123.216 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.786 51.559 124.934 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.774 53.961 124.000 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.398 53.240 125.470 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.712 53.426 122.790 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.458 53.146 124.350 1.00 0.00 H new ATOM 725 N GLU A 113 41.263 49.666 121.773 1.00 0.00 N ATOM 726 CA GLU A 113 40.869 48.610 120.890 1.00 0.00 C ATOM 727 C GLU A 113 41.830 47.473 121.009 1.00 0.00 C ATOM 728 O GLU A 113 41.451 46.309 120.906 1.00 0.00 O ATOM 729 CB GLU A 113 40.837 49.055 119.424 1.00 0.00 C ATOM 730 CG GLU A 113 40.066 48.108 118.505 1.00 0.00 C ATOM 731 CD GLU A 113 39.753 48.919 117.261 1.00 0.00 C ATOM 732 OE1 GLU A 113 40.687 49.122 116.439 1.00 0.00 O ATOM 733 OE2 GLU A 113 38.580 49.362 117.127 1.00 0.00 O ATOM 0 H GLU A 113 41.645 50.488 121.304 1.00 0.00 H new ATOM 0 HA GLU A 113 39.862 48.311 121.182 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.389 50.047 119.366 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.860 49.146 119.060 1.00 0.00 H new ATOM 0 HG2 GLU A 113 40.660 47.227 118.261 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.153 47.754 118.983 1.00 0.00 H new ATOM 740 N GLN A 114 43.121 47.780 121.192 1.00 0.00 N ATOM 741 CA GLN A 114 44.137 46.772 121.291 1.00 0.00 C ATOM 742 C GLN A 114 43.906 45.984 122.538 1.00 0.00 C ATOM 743 O GLN A 114 44.054 44.764 122.555 1.00 0.00 O ATOM 744 CB GLN A 114 45.540 47.396 121.366 1.00 0.00 C ATOM 745 CG GLN A 114 45.929 48.117 120.072 1.00 0.00 C ATOM 746 CD GLN A 114 47.210 48.903 120.306 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.809 48.824 121.377 1.00 0.00 O ATOM 748 NE2 GLN A 114 47.647 49.678 119.279 1.00 0.00 N ATOM 0 H GLN A 114 43.470 48.735 121.273 1.00 0.00 H new ATOM 0 HA GLN A 114 44.083 46.140 120.404 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.577 48.101 122.197 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.271 46.615 121.577 1.00 0.00 H new ATOM 0 HG2 GLN A 114 46.072 47.395 119.268 1.00 0.00 H new ATOM 0 HG3 GLN A 114 45.128 48.787 119.760 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.119 49.714 118.407 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.503 50.223 119.380 1.00 0.00 H new ATOM 757 N GLN A 115 43.539 46.682 123.625 1.00 0.00 N ATOM 758 CA GLN A 115 43.305 46.049 124.886 1.00 0.00 C ATOM 759 C GLN A 115 42.094 45.176 124.793 1.00 0.00 C ATOM 760 O GLN A 115 42.062 44.098 125.389 1.00 0.00 O ATOM 761 CB GLN A 115 43.114 47.050 126.032 1.00 0.00 C ATOM 762 CG GLN A 115 44.376 47.870 126.293 1.00 0.00 C ATOM 763 CD GLN A 115 44.173 48.664 127.570 1.00 0.00 C ATOM 764 OE1 GLN A 115 43.152 48.541 128.245 1.00 0.00 O ATOM 765 NE2 GLN A 115 45.177 49.508 127.915 1.00 0.00 N ATOM 0 H GLN A 115 43.403 47.693 123.631 1.00 0.00 H new ATOM 0 HA GLN A 115 44.193 45.459 125.113 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.289 47.721 125.793 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.836 46.513 126.939 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.242 47.215 126.387 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.573 48.540 125.456 1.00 0.00 H new ATOM 0 HE21 GLN A 115 46.007 49.580 127.327 1.00 0.00 H new ATOM 0 HE22 GLN A 115 45.102 50.071 128.762 1.00 0.00 H new ATOM 774 N ARG A 116 41.065 45.596 124.035 1.00 0.00 N ATOM 775 CA ARG A 116 39.869 44.804 123.994 1.00 0.00 C ATOM 776 C ARG A 116 40.227 43.465 123.429 1.00 0.00 C ATOM 777 O ARG A 116 39.674 42.443 123.831 1.00 0.00 O ATOM 778 CB ARG A 116 38.715 45.378 123.143 1.00 0.00 C ATOM 779 CG ARG A 116 38.981 45.428 121.640 1.00 0.00 C ATOM 780 CD ARG A 116 37.821 45.987 120.815 1.00 0.00 C ATOM 781 NE ARG A 116 38.178 45.842 119.377 1.00 0.00 N ATOM 782 CZ ARG A 116 37.258 46.155 118.419 1.00 0.00 C ATOM 783 NH1 ARG A 116 36.024 46.609 118.776 1.00 0.00 N ATOM 784 NH2 ARG A 116 37.565 46.001 117.098 1.00 0.00 N ATOM 0 H ARG A 116 41.054 46.446 123.472 1.00 0.00 H new ATOM 0 HA ARG A 116 39.498 44.771 125.019 1.00 0.00 H new ATOM 0 HB2 ARG A 116 37.822 44.778 123.318 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.495 46.387 123.491 1.00 0.00 H new ATOM 0 HG2 ARG A 116 39.867 46.037 121.459 1.00 0.00 H new ATOM 0 HG3 ARG A 116 39.209 44.422 121.289 1.00 0.00 H new ATOM 0 HD2 ARG A 116 36.900 45.449 121.037 1.00 0.00 H new ATOM 0 HD3 ARG A 116 37.646 47.034 121.062 1.00 0.00 H new ATOM 0 HE ARG A 116 39.105 45.511 119.109 1.00 0.00 H new ATOM 0 HH11 ARG A 116 35.785 46.716 119.762 1.00 0.00 H new ATOM 0 HH12 ARG A 116 35.339 46.842 118.057 1.00 0.00 H new ATOM 0 HH21 ARG A 116 38.484 45.651 116.825 1.00 0.00 H new ATOM 0 HH22 ARG A 116 36.876 46.236 116.384 1.00 0.00 H new ATOM 798 N ASP A 117 41.166 43.441 122.470 1.00 0.00 N ATOM 799 CA ASP A 117 41.554 42.219 121.834 1.00 0.00 C ATOM 800 C ASP A 117 42.134 41.288 122.864 1.00 0.00 C ATOM 801 O ASP A 117 41.807 40.102 122.892 1.00 0.00 O ATOM 802 CB ASP A 117 42.631 42.459 120.761 1.00 0.00 C ATOM 803 CG ASP A 117 42.851 41.166 119.996 1.00 0.00 C ATOM 804 OD1 ASP A 117 41.886 40.364 119.888 1.00 0.00 O ATOM 805 OD2 ASP A 117 43.996 40.961 119.516 1.00 0.00 O ATOM 0 H ASP A 117 41.659 44.268 122.133 1.00 0.00 H new ATOM 0 HA ASP A 117 40.668 41.793 121.364 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.318 43.252 120.082 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.561 42.786 121.225 1.00 0.00 H new ATOM 810 N VAL A 118 43.004 41.808 123.752 1.00 0.00 N ATOM 811 CA VAL A 118 43.691 40.995 124.720 1.00 0.00 C ATOM 812 C VAL A 118 42.744 40.351 125.693 1.00 0.00 C ATOM 813 O VAL A 118 42.775 39.136 125.887 1.00 0.00 O ATOM 814 CB VAL A 118 44.685 41.793 125.516 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.325 40.874 126.570 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.692 42.438 124.545 1.00 0.00 C ATOM 0 H VAL A 118 43.235 42.800 123.802 1.00 0.00 H new ATOM 0 HA VAL A 118 44.204 40.228 124.140 1.00 0.00 H new ATOM 0 HB VAL A 118 44.215 42.610 126.063 1.00 0.00 H new ATOM 0 HG11 VAL A 118 46.049 41.441 127.155 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.551 40.483 127.230 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.829 40.046 126.072 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.420 43.021 125.110 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.208 41.658 123.985 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.162 43.092 123.853 1.00 0.00 H new ATOM 826 N ILE A 119 41.838 41.137 126.299 1.00 0.00 N ATOM 827 CA ILE A 119 40.997 40.631 127.354 1.00 0.00 C ATOM 828 C ILE A 119 40.102 39.551 126.835 1.00 0.00 C ATOM 829 O ILE A 119 39.746 38.628 127.566 1.00 0.00 O ATOM 830 CB ILE A 119 40.179 41.691 128.010 1.00 0.00 C ATOM 831 CG1 ILE A 119 41.119 42.809 128.468 1.00 0.00 C ATOM 832 CG2 ILE A 119 39.450 41.050 129.201 1.00 0.00 C ATOM 833 CD1 ILE A 119 42.173 42.306 129.452 1.00 0.00 C ATOM 0 H ILE A 119 41.683 42.118 126.065 1.00 0.00 H new ATOM 0 HA ILE A 119 41.666 40.227 128.113 1.00 0.00 H new ATOM 0 HB ILE A 119 39.441 42.117 127.330 1.00 0.00 H new ATOM 0 HG12 ILE A 119 41.613 43.245 127.600 1.00 0.00 H new ATOM 0 HG13 ILE A 119 40.537 43.603 128.936 1.00 0.00 H new ATOM 0 HG21 ILE A 119 38.842 41.802 129.703 1.00 0.00 H new ATOM 0 HG22 ILE A 119 38.809 40.244 128.844 1.00 0.00 H new ATOM 0 HG23 ILE A 119 40.182 40.648 129.902 1.00 0.00 H new ATOM 0 HD11 ILE A 119 42.817 43.133 129.750 1.00 0.00 H new ATOM 0 HD12 ILE A 119 41.681 41.894 130.333 1.00 0.00 H new ATOM 0 HD13 ILE A 119 42.774 41.531 128.977 1.00 0.00 H new ATOM 845 N ALA A 120 39.680 39.674 125.567 1.00 0.00 N ATOM 846 CA ALA A 120 38.808 38.748 124.899 1.00 0.00 C ATOM 847 C ALA A 120 39.452 37.396 124.765 1.00 0.00 C ATOM 848 O ALA A 120 38.745 36.393 124.704 1.00 0.00 O ATOM 849 CB ALA A 120 38.417 39.218 123.488 1.00 0.00 C ATOM 0 H ALA A 120 39.958 40.456 124.974 1.00 0.00 H new ATOM 0 HA ALA A 120 37.914 38.690 125.519 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.758 38.481 123.029 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.901 40.176 123.554 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.315 39.330 122.880 1.00 0.00 H new ATOM 855 N ARG A 121 40.797 37.338 124.671 1.00 0.00 N ATOM 856 CA ARG A 121 41.554 36.135 124.420 1.00 0.00 C ATOM 857 C ARG A 121 41.300 35.087 125.473 1.00 0.00 C ATOM 858 O ARG A 121 40.710 35.346 126.520 1.00 0.00 O ATOM 859 CB ARG A 121 43.068 36.390 124.361 1.00 0.00 C ATOM 860 CG ARG A 121 43.497 37.421 123.310 1.00 0.00 C ATOM 861 CD ARG A 121 44.990 37.748 123.411 1.00 0.00 C ATOM 862 NE ARG A 121 45.289 38.977 122.617 1.00 0.00 N ATOM 863 CZ ARG A 121 45.726 38.880 121.328 1.00 0.00 C ATOM 864 NH1 ARG A 121 45.731 37.673 120.690 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.186 39.988 120.678 1.00 0.00 N ATOM 0 H ARG A 121 41.387 38.164 124.774 1.00 0.00 H new ATOM 0 HA ARG A 121 41.213 35.780 123.447 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.406 36.727 125.341 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.575 35.447 124.155 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.275 37.038 122.314 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.915 38.334 123.438 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.270 37.900 124.454 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.582 36.911 123.041 1.00 0.00 H new ATOM 0 HE ARG A 121 45.166 39.896 123.042 1.00 0.00 H new ATOM 0 HH11 ARG A 121 45.407 36.837 121.177 1.00 0.00 H new ATOM 0 HH12 ARG A 121 46.059 37.607 119.726 1.00 0.00 H new ATOM 0 HH21 ARG A 121 46.203 40.889 121.156 1.00 0.00 H new ATOM 0 HH22 ARG A 121 46.513 39.915 119.714 1.00 0.00 H new ATOM 879 N THR A 122 41.714 33.835 125.166 1.00 0.00 N ATOM 880 CA THR A 122 41.484 32.718 126.037 1.00 0.00 C ATOM 881 C THR A 122 42.452 32.693 127.176 1.00 0.00 C ATOM 882 O THR A 122 43.669 32.774 127.006 1.00 0.00 O ATOM 883 CB THR A 122 41.593 31.391 125.349 1.00 0.00 C ATOM 884 OG1 THR A 122 40.633 31.305 124.307 1.00 0.00 O ATOM 885 CG2 THR A 122 41.368 30.268 126.380 1.00 0.00 C ATOM 0 H THR A 122 42.211 33.599 124.307 1.00 0.00 H new ATOM 0 HA THR A 122 40.463 32.862 126.390 1.00 0.00 H new ATOM 0 HB THR A 122 42.586 31.284 124.912 1.00 0.00 H new ATOM 0 HG1 THR A 122 40.711 30.436 123.861 1.00 0.00 H new ATOM 0 HG21 THR A 122 41.446 29.300 125.886 1.00 0.00 H new ATOM 0 HG22 THR A 122 42.122 30.337 127.164 1.00 0.00 H new ATOM 0 HG23 THR A 122 40.376 30.372 126.820 1.00 0.00 H new ATOM 893 N PHE A 123 41.899 32.577 128.397 1.00 0.00 N ATOM 894 CA PHE A 123 42.701 32.405 129.567 1.00 0.00 C ATOM 895 C PHE A 123 42.404 31.009 129.995 1.00 0.00 C ATOM 896 O PHE A 123 41.271 30.709 130.367 1.00 0.00 O ATOM 897 CB PHE A 123 42.323 33.333 130.737 1.00 0.00 C ATOM 898 CG PHE A 123 42.735 34.726 130.403 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.959 35.514 129.586 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.900 35.246 130.917 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.335 36.800 129.281 1.00 0.00 C ATOM 902 CE2 PHE A 123 44.283 36.533 130.619 1.00 0.00 C ATOM 903 CZ PHE A 123 43.501 37.311 129.800 1.00 0.00 C ATOM 0 H PHE A 123 40.895 32.602 128.573 1.00 0.00 H new ATOM 0 HA PHE A 123 43.742 32.627 129.331 1.00 0.00 H new ATOM 0 HB2 PHE A 123 41.249 33.291 130.919 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.815 33.004 131.653 1.00 0.00 H new ATOM 0 HD1 PHE A 123 41.041 35.117 129.178 1.00 0.00 H new ATOM 0 HD2 PHE A 123 44.519 34.638 131.560 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.717 37.407 128.636 1.00 0.00 H new ATOM 0 HE2 PHE A 123 45.199 36.932 131.029 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.801 38.321 129.565 1.00 0.00 H new ATOM 913 N THR A 124 43.414 30.116 129.952 1.00 0.00 N ATOM 914 CA THR A 124 43.136 28.744 130.259 1.00 0.00 C ATOM 915 C THR A 124 42.787 28.637 131.709 1.00 0.00 C ATOM 916 O THR A 124 43.572 29.013 132.581 1.00 0.00 O ATOM 917 CB THR A 124 44.271 27.801 129.958 1.00 0.00 C ATOM 918 OG1 THR A 124 44.626 27.877 128.585 1.00 0.00 O ATOM 919 CG2 THR A 124 43.817 26.370 130.294 1.00 0.00 C ATOM 0 H THR A 124 44.383 30.330 129.715 1.00 0.00 H new ATOM 0 HA THR A 124 42.309 28.443 129.616 1.00 0.00 H new ATOM 0 HB THR A 124 45.141 28.074 130.555 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.366 27.260 128.404 1.00 0.00 H new ATOM 0 HG21 THR A 124 44.627 25.672 130.082 1.00 0.00 H new ATOM 0 HG22 THR A 124 43.554 26.310 131.350 1.00 0.00 H new ATOM 0 HG23 THR A 124 42.948 26.112 129.688 1.00 0.00 H new ATOM 927 N GLU A 125 41.549 28.172 131.988 1.00 0.00 N ATOM 928 CA GLU A 125 41.071 27.972 133.327 1.00 0.00 C ATOM 929 C GLU A 125 41.764 26.792 133.934 1.00 0.00 C ATOM 930 O GLU A 125 42.241 26.849 135.065 1.00 0.00 O ATOM 931 CB GLU A 125 39.566 27.658 133.395 1.00 0.00 C ATOM 932 CG GLU A 125 38.649 28.801 132.956 1.00 0.00 C ATOM 933 CD GLU A 125 38.362 28.643 131.477 1.00 0.00 C ATOM 934 OE1 GLU A 125 38.035 27.497 131.073 1.00 0.00 O ATOM 935 OE2 GLU A 125 38.455 29.656 130.734 1.00 0.00 O ATOM 0 H GLU A 125 40.868 27.931 131.268 1.00 0.00 H new ATOM 0 HA GLU A 125 41.270 28.905 133.855 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.363 26.788 132.770 1.00 0.00 H new ATOM 0 HB3 GLU A 125 39.313 27.382 134.419 1.00 0.00 H new ATOM 0 HG2 GLU A 125 37.720 28.783 133.527 1.00 0.00 H new ATOM 0 HG3 GLU A 125 39.123 29.763 133.150 1.00 0.00 H new ATOM 942 N SER A 126 41.836 25.675 133.185 1.00 0.00 N ATOM 943 CA SER A 126 42.463 24.507 133.726 1.00 0.00 C ATOM 944 C SER A 126 42.905 23.677 132.570 1.00 0.00 C ATOM 945 O SER A 126 42.396 23.831 131.459 1.00 0.00 O ATOM 946 CB SER A 126 41.506 23.645 134.568 1.00 0.00 C ATOM 947 OG SER A 126 42.189 22.513 135.083 1.00 0.00 O ATOM 0 H SER A 126 41.474 25.580 132.236 1.00 0.00 H new ATOM 0 HA SER A 126 43.278 24.829 134.374 1.00 0.00 H new ATOM 0 HB2 SER A 126 41.098 24.237 135.388 1.00 0.00 H new ATOM 0 HB3 SER A 126 40.663 23.323 133.957 1.00 0.00 H new ATOM 0 HG SER A 126 41.570 21.973 135.618 1.00 0.00 H new ATOM 953 N LEU A 127 43.889 22.785 132.799 1.00 0.00 N ATOM 954 CA LEU A 127 44.342 21.935 131.739 1.00 0.00 C ATOM 955 C LEU A 127 43.905 20.523 132.104 1.00 0.00 C ATOM 956 O LEU A 127 44.124 19.598 131.276 1.00 0.00 O ATOM 957 CB LEU A 127 45.871 21.915 131.559 1.00 0.00 C ATOM 958 CG LEU A 127 46.453 23.301 131.220 1.00 0.00 C ATOM 959 CD1 LEU A 127 46.320 24.248 132.419 1.00 0.00 C ATOM 960 CD2 LEU A 127 47.891 23.211 130.687 1.00 0.00 C ATOM 961 OXT LEU A 127 43.351 20.353 133.223 1.00 0.00 O ATOM 0 H LEU A 127 44.360 22.654 133.694 1.00 0.00 H new ATOM 0 HA LEU A 127 43.921 22.310 130.806 1.00 0.00 H new ATOM 0 HB2 LEU A 127 46.335 21.546 132.474 1.00 0.00 H new ATOM 0 HB3 LEU A 127 46.129 21.214 130.765 1.00 0.00 H new ATOM 0 HG LEU A 127 45.866 23.725 130.405 1.00 0.00 H new ATOM 0 HD11 LEU A 127 46.736 25.222 132.161 1.00 0.00 H new ATOM 0 HD12 LEU A 127 45.267 24.360 132.679 1.00 0.00 H new ATOM 0 HD13 LEU A 127 46.862 23.836 133.270 1.00 0.00 H new ATOM 0 HD21 LEU A 127 48.259 24.212 130.462 1.00 0.00 H new ATOM 0 HD22 LEU A 127 48.530 22.750 131.440 1.00 0.00 H new ATOM 0 HD23 LEU A 127 47.906 22.607 129.780 1.00 0.00 H new TER 973 LEU A 127