USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 101 ASN : amide:sc= -0.425 K(o=-0.78,f=-1.7) USER MOD Set 1.2: A 103 SER OG : rot 151:sc= -0.355 USER MOD Single : A 64 HIS : no HD1:sc= -0.0774 K(o=-0.077,f=-0.93) USER MOD Single : A 86 SER OG : rot 160:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.026 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -152:sc= 0.224 USER MOD Single : A 121 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.07) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 123 GLN : amide:sc= -3.5 K(o=-3.5,f=-5.3!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 61:sc= 0.722 USER MOD Single : A 127 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 132 ASN : amide:sc= -2.41 K(o=-2.4,f=-0.37) USER MOD Single : A 133 TYR OH : rot 90:sc= -1.53 USER MOD Single : A 135 MET CE :methyl -142:sc= -1 (180deg=-3.55!) USER MOD Single : A 138 SER OG : rot -90:sc= -1.17 USER MOD Single : A 140 SER OG : rot 180:sc= -0.121 USER MOD Single : A 141 LYS NZ :NH3+ 156:sc= -0.106 (180deg=-0.771) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 60.042 -3.465 19.089 1.00 0.00 N ATOM 2 CA GLY A 54 59.859 -2.403 18.104 1.00 0.00 C ATOM 3 C GLY A 54 60.875 -2.524 16.974 1.00 0.00 C ATOM 4 O GLY A 54 61.709 -3.430 16.970 1.00 0.00 O ATOM 0 HA2 GLY A 54 58.849 -2.450 17.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 59.962 -1.432 18.588 1.00 0.00 H new ATOM 8 N GLY A 55 60.802 -1.605 16.016 1.00 0.00 N ATOM 9 CA GLY A 55 61.720 -1.618 14.885 1.00 0.00 C ATOM 10 C GLY A 55 62.335 -0.248 14.674 1.00 0.00 C ATOM 11 O GLY A 55 63.326 0.113 15.309 1.00 0.00 O ATOM 0 H GLY A 55 60.120 -0.846 16.001 1.00 0.00 H new ATOM 0 HA2 GLY A 55 62.507 -2.352 15.058 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.190 -1.926 13.984 1.00 0.00 H new ATOM 15 N ALA A 56 61.738 0.509 13.768 1.00 0.00 N ATOM 16 CA ALA A 56 62.222 1.839 13.462 1.00 0.00 C ATOM 17 C ALA A 56 61.048 2.808 13.364 1.00 0.00 C ATOM 18 O ALA A 56 59.972 2.453 12.884 1.00 0.00 O ATOM 19 CB ALA A 56 62.993 1.813 12.144 1.00 0.00 C ATOM 0 H ALA A 56 60.918 0.223 13.233 1.00 0.00 H new ATOM 0 HA ALA A 56 62.888 2.173 14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.356 2.815 11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.839 1.131 12.231 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.335 1.475 11.344 1.00 0.00 H new ATOM 25 N GLU A 57 61.268 4.031 13.823 1.00 0.00 N ATOM 26 CA GLU A 57 60.230 5.062 13.791 1.00 0.00 C ATOM 27 C GLU A 57 60.276 5.846 12.483 1.00 0.00 C ATOM 28 O GLU A 57 59.838 6.997 12.404 1.00 0.00 O ATOM 29 CB GLU A 57 60.413 6.021 14.959 1.00 0.00 C ATOM 30 CG GLU A 57 60.038 5.317 16.264 1.00 0.00 C ATOM 31 CD GLU A 57 60.330 6.226 17.453 1.00 0.00 C ATOM 32 OE1 GLU A 57 60.955 7.253 17.247 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.923 5.883 18.550 1.00 0.00 O ATOM 0 H GLU A 57 62.155 4.338 14.223 1.00 0.00 H new ATOM 0 HA GLU A 57 59.262 4.567 13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.447 6.364 15.003 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.790 6.904 14.818 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.981 5.050 16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.600 4.388 16.360 1.00 0.00 H new ATOM 40 N ALA A 58 60.809 5.207 11.458 1.00 0.00 N ATOM 41 CA ALA A 58 60.925 5.825 10.150 1.00 0.00 C ATOM 42 C ALA A 58 59.564 6.180 9.575 1.00 0.00 C ATOM 43 O ALA A 58 59.466 6.918 8.603 1.00 0.00 O ATOM 44 CB ALA A 58 61.712 4.925 9.202 1.00 0.00 C ATOM 0 H ALA A 58 61.170 4.254 11.507 1.00 0.00 H new ATOM 0 HA ALA A 58 61.474 6.759 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.789 5.404 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.711 4.758 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.199 3.969 9.098 1.00 0.00 H new ATOM 50 N LEU A 59 58.521 5.669 10.199 1.00 0.00 N ATOM 51 CA LEU A 59 57.159 5.941 9.773 1.00 0.00 C ATOM 52 C LEU A 59 56.937 7.433 9.559 1.00 0.00 C ATOM 53 O LEU A 59 56.038 7.836 8.821 1.00 0.00 O ATOM 54 CB LEU A 59 56.218 5.447 10.855 1.00 0.00 C ATOM 55 CG LEU A 59 56.165 3.927 10.808 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.608 3.413 12.129 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.245 3.472 9.667 1.00 0.00 C ATOM 0 H LEU A 59 58.591 5.056 11.012 1.00 0.00 H new ATOM 0 HA LEU A 59 56.972 5.432 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.561 5.782 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.222 5.863 10.707 1.00 0.00 H new ATOM 0 HG LEU A 59 57.168 3.534 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.565 2.324 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.254 3.734 12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.605 3.812 12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.212 2.383 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.241 3.862 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.629 3.848 8.718 1.00 0.00 H new ATOM 69 N GLU A 60 57.754 8.254 10.208 1.00 0.00 N ATOM 70 CA GLU A 60 57.621 9.691 10.071 1.00 0.00 C ATOM 71 C GLU A 60 57.791 10.109 8.619 1.00 0.00 C ATOM 72 O GLU A 60 57.043 10.943 8.107 1.00 0.00 O ATOM 73 CB GLU A 60 58.685 10.391 10.920 1.00 0.00 C ATOM 74 CG GLU A 60 58.350 10.223 12.400 1.00 0.00 C ATOM 75 CD GLU A 60 57.151 11.090 12.762 1.00 0.00 C ATOM 76 OE1 GLU A 60 56.038 10.593 12.680 1.00 0.00 O ATOM 77 OE2 GLU A 60 57.360 12.239 13.113 1.00 0.00 O ATOM 0 H GLU A 60 58.506 7.950 10.826 1.00 0.00 H new ATOM 0 HA GLU A 60 56.625 9.978 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.668 9.970 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.730 11.450 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 60 58.132 9.177 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 59.209 10.502 13.010 1.00 0.00 H new ATOM 84 N LEU A 61 58.777 9.521 7.964 1.00 0.00 N ATOM 85 CA LEU A 61 59.045 9.830 6.563 1.00 0.00 C ATOM 86 C LEU A 61 58.560 8.712 5.635 1.00 0.00 C ATOM 87 O LEU A 61 58.001 8.981 4.576 1.00 0.00 O ATOM 88 CB LEU A 61 60.543 10.038 6.371 1.00 0.00 C ATOM 89 CG LEU A 61 61.036 11.175 7.268 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.547 11.312 7.127 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.369 12.495 6.866 1.00 0.00 C ATOM 0 H LEU A 61 59.405 8.830 8.374 1.00 0.00 H new ATOM 0 HA LEU A 61 58.501 10.739 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 61 61.079 9.119 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.755 10.270 5.327 1.00 0.00 H new ATOM 0 HG LEU A 61 60.779 10.946 8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.900 12.122 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.026 10.380 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.797 11.533 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.728 13.296 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.616 12.726 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 61 59.288 12.403 6.970 1.00 0.00 H new ATOM 103 N LEU A 62 58.774 7.463 6.053 1.00 0.00 N ATOM 104 CA LEU A 62 58.368 6.299 5.283 1.00 0.00 C ATOM 105 C LEU A 62 58.465 5.052 6.157 1.00 0.00 C ATOM 106 O LEU A 62 57.486 4.672 6.789 1.00 0.00 O ATOM 107 CB LEU A 62 59.243 6.162 4.031 1.00 0.00 C ATOM 108 CG LEU A 62 58.438 6.601 2.812 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.370 7.253 1.789 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.766 5.378 2.187 1.00 0.00 C ATOM 0 H LEU A 62 59.234 7.236 6.935 1.00 0.00 H new ATOM 0 HA LEU A 62 57.334 6.419 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.140 6.773 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.572 5.130 3.913 1.00 0.00 H new ATOM 0 HG LEU A 62 57.678 7.321 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.793 7.566 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.851 8.122 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 60.131 6.536 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.189 5.686 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.528 4.660 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.102 4.915 2.917 1.00 0.00 H new ATOM 122 N GLU A 63 59.653 4.447 6.195 1.00 0.00 N ATOM 123 CA GLU A 63 59.919 3.256 6.996 1.00 0.00 C ATOM 124 C GLU A 63 61.240 2.608 6.589 1.00 0.00 C ATOM 125 O GLU A 63 62.266 2.804 7.245 1.00 0.00 O ATOM 126 CB GLU A 63 58.798 2.248 6.834 1.00 0.00 C ATOM 127 CG GLU A 63 57.970 2.190 8.112 1.00 0.00 C ATOM 128 CD GLU A 63 57.476 0.766 8.342 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.352 0.038 7.370 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.233 0.420 9.487 1.00 0.00 O ATOM 0 H GLU A 63 60.462 4.774 5.666 1.00 0.00 H new ATOM 0 HA GLU A 63 59.983 3.565 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.165 2.526 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.210 1.264 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.570 2.518 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.122 2.872 8.039 1.00 0.00 H new ATOM 137 N HIS A 64 61.209 1.830 5.511 1.00 0.00 N ATOM 138 CA HIS A 64 62.400 1.155 5.031 1.00 0.00 C ATOM 139 C HIS A 64 62.817 1.712 3.684 1.00 0.00 C ATOM 140 O HIS A 64 62.041 2.375 2.998 1.00 0.00 O ATOM 141 CB HIS A 64 62.138 -0.346 4.895 1.00 0.00 C ATOM 142 CG HIS A 64 60.867 -0.568 4.137 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.654 -0.690 4.784 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.598 -0.692 2.798 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.716 -0.882 3.850 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.233 -0.892 2.618 1.00 0.00 N ATOM 0 H HIS A 64 60.371 1.654 4.957 1.00 0.00 H new ATOM 0 HA HIS A 64 63.200 1.321 5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.970 -0.825 4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.069 -0.804 5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.331 -0.642 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.666 -1.013 4.066 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.735 -1.019 1.737 1.00 0.00 H new ATOM 154 N CYS A 65 64.053 1.427 3.322 1.00 0.00 N ATOM 155 CA CYS A 65 64.611 1.881 2.062 1.00 0.00 C ATOM 156 C CYS A 65 64.083 1.055 0.898 1.00 0.00 C ATOM 157 O CYS A 65 64.025 -0.159 0.975 1.00 0.00 O ATOM 158 CB CYS A 65 66.123 1.771 2.123 1.00 0.00 C ATOM 159 SG CYS A 65 66.807 2.024 0.470 1.00 0.00 S ATOM 0 H CYS A 65 64.697 0.876 3.890 1.00 0.00 H new ATOM 0 HA CYS A 65 64.315 2.918 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.526 2.513 2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.413 0.791 2.503 1.00 0.00 H new ATOM 164 N GLY A 66 63.688 1.729 -0.171 1.00 0.00 N ATOM 165 CA GLY A 66 63.153 1.052 -1.353 1.00 0.00 C ATOM 166 C GLY A 66 64.197 0.180 -2.066 1.00 0.00 C ATOM 167 O GLY A 66 63.863 -0.870 -2.616 1.00 0.00 O ATOM 0 H GLY A 66 63.726 2.745 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.308 0.430 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.772 1.797 -2.051 1.00 0.00 H new ATOM 171 N VAL A 67 65.443 0.648 -2.101 1.00 0.00 N ATOM 172 CA VAL A 67 66.513 -0.061 -2.806 1.00 0.00 C ATOM 173 C VAL A 67 66.753 -1.469 -2.262 1.00 0.00 C ATOM 174 O VAL A 67 66.969 -2.409 -3.030 1.00 0.00 O ATOM 175 CB VAL A 67 67.807 0.734 -2.669 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.970 -0.068 -3.247 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.683 2.070 -3.402 1.00 0.00 C ATOM 0 H VAL A 67 65.738 1.514 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 67 66.204 -0.156 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 67 67.994 0.927 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.892 0.504 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.067 -1.010 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.783 -0.272 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.612 2.630 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.485 1.888 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.863 2.646 -2.973 1.00 0.00 H new ATOM 187 N CYS A 68 66.748 -1.604 -0.944 1.00 0.00 N ATOM 188 CA CYS A 68 67.003 -2.899 -0.313 1.00 0.00 C ATOM 189 C CYS A 68 65.745 -3.451 0.349 1.00 0.00 C ATOM 190 O CYS A 68 65.643 -4.649 0.615 1.00 0.00 O ATOM 191 CB CYS A 68 68.117 -2.745 0.724 1.00 0.00 C ATOM 192 SG CYS A 68 67.663 -1.455 1.914 1.00 0.00 S ATOM 0 H CYS A 68 66.572 -0.841 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 68 67.310 -3.606 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.280 -3.691 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.054 -2.486 0.231 1.00 0.00 H new ATOM 197 N ARG A 69 64.786 -2.575 0.583 1.00 0.00 N ATOM 198 CA ARG A 69 63.521 -2.969 1.184 1.00 0.00 C ATOM 199 C ARG A 69 63.744 -3.490 2.592 1.00 0.00 C ATOM 200 O ARG A 69 63.082 -4.428 3.040 1.00 0.00 O ATOM 201 CB ARG A 69 62.852 -4.037 0.311 1.00 0.00 C ATOM 202 CG ARG A 69 62.961 -3.636 -1.170 1.00 0.00 C ATOM 203 CD ARG A 69 61.574 -3.483 -1.781 1.00 0.00 C ATOM 204 NE ARG A 69 61.127 -4.745 -2.365 1.00 0.00 N ATOM 205 CZ ARG A 69 61.585 -5.180 -3.542 1.00 0.00 C ATOM 206 NH1 ARG A 69 62.459 -4.482 -4.221 1.00 0.00 N ATOM 207 NH2 ARG A 69 61.151 -6.314 -4.023 1.00 0.00 N ATOM 0 H ARG A 69 64.858 -1.581 0.366 1.00 0.00 H new ATOM 0 HA ARG A 69 62.866 -2.100 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.329 -5.004 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.805 -4.147 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.511 -2.699 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.525 -4.391 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.868 -3.160 -1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.592 -2.708 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 69 60.445 -5.311 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.799 -3.594 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 69 62.800 -4.826 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 69 60.467 -6.861 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 69 61.496 -6.653 -4.921 1.00 0.00 H new ATOM 221 N GLU A 70 64.671 -2.851 3.291 1.00 0.00 N ATOM 222 CA GLU A 70 64.979 -3.223 4.659 1.00 0.00 C ATOM 223 C GLU A 70 64.852 -2.014 5.559 1.00 0.00 C ATOM 224 O GLU A 70 65.136 -0.883 5.159 1.00 0.00 O ATOM 225 CB GLU A 70 66.386 -3.795 4.751 1.00 0.00 C ATOM 226 CG GLU A 70 66.483 -5.019 3.846 1.00 0.00 C ATOM 227 CD GLU A 70 65.560 -6.122 4.352 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.210 -6.087 5.521 1.00 0.00 O ATOM 229 OE2 GLU A 70 65.213 -6.984 3.562 1.00 0.00 O ATOM 0 H GLU A 70 65.222 -2.072 2.930 1.00 0.00 H new ATOM 0 HA GLU A 70 64.272 -3.987 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.118 -3.045 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.615 -4.069 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.213 -4.748 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.511 -5.379 3.818 1.00 0.00 H new ATOM 236 N ARG A 71 64.414 -2.265 6.774 1.00 0.00 N ATOM 237 CA ARG A 71 64.229 -1.207 7.743 1.00 0.00 C ATOM 238 C ARG A 71 65.496 -0.379 7.873 1.00 0.00 C ATOM 239 O ARG A 71 66.606 -0.886 7.712 1.00 0.00 O ATOM 240 CB ARG A 71 63.862 -1.829 9.083 1.00 0.00 C ATOM 241 CG ARG A 71 63.119 -0.816 9.953 1.00 0.00 C ATOM 242 CD ARG A 71 61.635 -0.820 9.580 1.00 0.00 C ATOM 243 NE ARG A 71 61.026 -2.086 9.979 1.00 0.00 N ATOM 244 CZ ARG A 71 59.774 -2.407 9.644 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.039 -1.587 8.937 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.280 -3.554 10.024 1.00 0.00 N ATOM 0 H ARG A 71 64.179 -3.197 7.115 1.00 0.00 H new ATOM 0 HA ARG A 71 63.428 -0.546 7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.238 -2.709 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.764 -2.165 9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.241 -1.066 11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.539 0.180 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.125 0.009 10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.521 -0.674 8.506 1.00 0.00 H new ATOM 0 HE ARG A 71 61.574 -2.746 10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.421 -0.691 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.084 -1.844 8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.850 -4.198 10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.324 -3.806 9.772 1.00 0.00 H new ATOM 260 N LEU A 72 65.313 0.903 8.143 1.00 0.00 N ATOM 261 CA LEU A 72 66.435 1.814 8.273 1.00 0.00 C ATOM 262 C LEU A 72 67.166 1.591 9.593 1.00 0.00 C ATOM 263 O LEU A 72 66.653 1.912 10.659 1.00 0.00 O ATOM 264 CB LEU A 72 65.915 3.249 8.204 1.00 0.00 C ATOM 265 CG LEU A 72 65.280 3.498 6.832 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.585 4.866 6.840 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.366 3.474 5.744 1.00 0.00 C ATOM 0 H LEU A 72 64.399 1.335 8.276 1.00 0.00 H new ATOM 0 HA LEU A 72 67.139 1.631 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.182 3.419 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.732 3.951 8.371 1.00 0.00 H new ATOM 0 HG LEU A 72 64.549 2.717 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.131 5.049 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.812 4.877 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.318 5.645 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.909 3.652 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.102 4.252 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.858 2.501 5.742 1.00 0.00 H new ATOM 279 N ARG A 73 68.374 1.047 9.499 1.00 0.00 N ATOM 280 CA ARG A 73 69.192 0.791 10.680 1.00 0.00 C ATOM 281 C ARG A 73 69.830 2.086 11.166 1.00 0.00 C ATOM 282 O ARG A 73 69.979 3.034 10.397 1.00 0.00 O ATOM 283 CB ARG A 73 70.281 -0.224 10.346 1.00 0.00 C ATOM 284 CG ARG A 73 69.641 -1.597 10.193 1.00 0.00 C ATOM 285 CD ARG A 73 70.660 -2.584 9.641 1.00 0.00 C ATOM 286 NE ARG A 73 71.715 -2.818 10.619 1.00 0.00 N ATOM 287 CZ ARG A 73 72.780 -3.568 10.333 1.00 0.00 C ATOM 288 NH1 ARG A 73 72.913 -4.119 9.153 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.698 -3.754 11.242 1.00 0.00 N ATOM 0 H ARG A 73 68.809 0.775 8.618 1.00 0.00 H new ATOM 0 HA ARG A 73 68.556 0.390 11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.792 0.059 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.033 -0.244 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 73 69.270 -1.945 11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.782 -1.535 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 73 70.169 -3.525 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 73 71.090 -2.196 8.717 1.00 0.00 H new ATOM 0 HE ARG A 73 71.637 -2.398 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 73 72.197 -3.977 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 73 73.732 -4.691 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.598 -3.327 12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.516 -4.326 11.031 1.00 0.00 H new ATOM 303 N PRO A 74 70.210 2.153 12.412 1.00 0.00 N ATOM 304 CA PRO A 74 70.847 3.377 12.968 1.00 0.00 C ATOM 305 C PRO A 74 72.140 3.710 12.232 1.00 0.00 C ATOM 306 O PRO A 74 72.479 4.878 12.036 1.00 0.00 O ATOM 307 CB PRO A 74 71.114 3.034 14.435 1.00 0.00 C ATOM 308 CG PRO A 74 71.027 1.549 14.527 1.00 0.00 C ATOM 309 CD PRO A 74 70.085 1.093 13.418 1.00 0.00 C ATOM 0 HA PRO A 74 70.215 4.258 12.859 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.097 3.388 14.747 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.382 3.510 15.087 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.011 1.096 14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.651 1.244 15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.376 0.122 13.017 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.060 0.996 13.775 1.00 0.00 H new ATOM 317 N GLU A 75 72.840 2.668 11.800 1.00 0.00 N ATOM 318 CA GLU A 75 74.083 2.845 11.053 1.00 0.00 C ATOM 319 C GLU A 75 73.823 2.915 9.545 1.00 0.00 C ATOM 320 O GLU A 75 74.754 3.086 8.761 1.00 0.00 O ATOM 321 CB GLU A 75 75.068 1.709 11.346 1.00 0.00 C ATOM 322 CG GLU A 75 74.335 0.374 11.353 1.00 0.00 C ATOM 323 CD GLU A 75 75.327 -0.766 11.145 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.110 -0.682 10.212 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.293 -1.704 11.923 1.00 0.00 O ATOM 0 H GLU A 75 72.572 1.696 11.952 1.00 0.00 H new ATOM 0 HA GLU A 75 74.519 3.789 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.856 1.697 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.550 1.874 12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.810 0.243 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.581 0.359 10.566 1.00 0.00 H new ATOM 332 N ARG A 76 72.560 2.766 9.149 1.00 0.00 N ATOM 333 CA ARG A 76 72.200 2.793 7.732 1.00 0.00 C ATOM 334 C ARG A 76 72.418 4.169 7.124 1.00 0.00 C ATOM 335 O ARG A 76 72.555 4.311 5.902 1.00 0.00 O ATOM 336 CB ARG A 76 70.724 2.458 7.577 1.00 0.00 C ATOM 337 CG ARG A 76 70.483 1.841 6.198 1.00 0.00 C ATOM 338 CD ARG A 76 69.726 0.524 6.352 1.00 0.00 C ATOM 339 NE ARG A 76 70.104 -0.409 5.298 1.00 0.00 N ATOM 340 CZ ARG A 76 69.689 -1.675 5.299 1.00 0.00 C ATOM 341 NH1 ARG A 76 68.927 -2.130 6.262 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.042 -2.470 4.325 1.00 0.00 N ATOM 0 H ARG A 76 71.774 2.626 9.784 1.00 0.00 H new ATOM 0 HA ARG A 76 72.833 2.066 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.414 1.763 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.121 3.359 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.912 2.530 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.434 1.669 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.940 0.086 7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.652 0.708 6.315 1.00 0.00 H new ATOM 0 HE ARG A 76 70.703 -0.084 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 76 68.644 -1.513 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 76 68.616 -3.101 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.632 -2.121 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 76 69.728 -3.440 4.319 1.00 0.00 H new ATOM 356 N GLU A 77 72.400 5.185 7.969 1.00 0.00 N ATOM 357 CA GLU A 77 72.545 6.545 7.499 1.00 0.00 C ATOM 358 C GLU A 77 71.479 6.848 6.457 1.00 0.00 C ATOM 359 O GLU A 77 71.778 7.035 5.280 1.00 0.00 O ATOM 360 CB GLU A 77 73.939 6.742 6.913 1.00 0.00 C ATOM 361 CG GLU A 77 74.165 8.225 6.631 1.00 0.00 C ATOM 362 CD GLU A 77 75.561 8.436 6.057 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.279 7.459 5.929 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.890 9.571 5.756 1.00 0.00 O ATOM 0 H GLU A 77 72.287 5.092 8.978 1.00 0.00 H new ATOM 0 HA GLU A 77 72.418 7.233 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.693 6.374 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.044 6.166 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.415 8.589 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.049 8.801 7.549 1.00 0.00 H new ATOM 371 N PRO A 78 70.241 6.880 6.872 1.00 0.00 N ATOM 372 CA PRO A 78 69.086 7.151 5.965 1.00 0.00 C ATOM 373 C PRO A 78 69.169 8.533 5.334 1.00 0.00 C ATOM 374 O PRO A 78 69.675 9.480 5.936 1.00 0.00 O ATOM 375 CB PRO A 78 67.855 7.027 6.875 1.00 0.00 C ATOM 376 CG PRO A 78 68.332 6.300 8.085 1.00 0.00 C ATOM 377 CD PRO A 78 69.793 6.668 8.256 1.00 0.00 C ATOM 0 HA PRO A 78 69.058 6.459 5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.459 8.008 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.053 6.481 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.754 6.586 8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 78 68.214 5.223 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.916 7.565 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.355 5.873 8.746 1.00 0.00 H new ATOM 385 N ARG A 79 68.678 8.625 4.112 1.00 0.00 N ATOM 386 CA ARG A 79 68.701 9.872 3.368 1.00 0.00 C ATOM 387 C ARG A 79 67.417 10.073 2.583 1.00 0.00 C ATOM 388 O ARG A 79 66.814 9.116 2.134 1.00 0.00 O ATOM 389 CB ARG A 79 69.875 9.855 2.413 1.00 0.00 C ATOM 390 CG ARG A 79 71.170 10.057 3.199 1.00 0.00 C ATOM 391 CD ARG A 79 72.356 10.096 2.238 1.00 0.00 C ATOM 392 NE ARG A 79 73.598 10.277 2.982 1.00 0.00 N ATOM 393 CZ ARG A 79 74.001 11.480 3.393 1.00 0.00 C ATOM 394 NH1 ARG A 79 73.288 12.551 3.141 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.120 11.592 4.056 1.00 0.00 N ATOM 0 H ARG A 79 68.255 7.844 3.610 1.00 0.00 H new ATOM 0 HA ARG A 79 68.797 10.694 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 79 69.907 8.908 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.763 10.642 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 79 71.120 10.985 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.299 9.249 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.399 9.171 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.229 10.910 1.524 1.00 0.00 H new ATOM 0 HE ARG A 79 74.173 9.462 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 79 72.412 12.471 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 79 73.609 13.464 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.679 10.763 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.435 12.509 4.374 1.00 0.00 H new ATOM 409 N LEU A 80 67.011 11.324 2.414 1.00 0.00 N ATOM 410 CA LEU A 80 65.787 11.620 1.678 1.00 0.00 C ATOM 411 C LEU A 80 66.098 12.115 0.266 1.00 0.00 C ATOM 412 O LEU A 80 66.905 13.026 0.081 1.00 0.00 O ATOM 413 CB LEU A 80 64.984 12.688 2.420 1.00 0.00 C ATOM 414 CG LEU A 80 63.659 12.928 1.703 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.781 11.694 1.851 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.961 14.140 2.319 1.00 0.00 C ATOM 0 H LEU A 80 67.504 12.142 2.771 1.00 0.00 H new ATOM 0 HA LEU A 80 65.207 10.700 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.800 12.371 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.554 13.616 2.470 1.00 0.00 H new ATOM 0 HG LEU A 80 63.839 13.119 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.832 11.859 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.285 10.834 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.596 11.504 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.014 14.313 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.774 13.954 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.597 15.019 2.213 1.00 0.00 H new ATOM 428 N LEU A 81 65.442 11.514 -0.726 1.00 0.00 N ATOM 429 CA LEU A 81 65.641 11.901 -2.119 1.00 0.00 C ATOM 430 C LEU A 81 64.676 13.018 -2.527 1.00 0.00 C ATOM 431 O LEU A 81 63.704 13.305 -1.828 1.00 0.00 O ATOM 432 CB LEU A 81 65.419 10.699 -3.036 1.00 0.00 C ATOM 433 CG LEU A 81 66.755 10.214 -3.593 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.643 9.716 -2.451 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.496 9.079 -4.584 1.00 0.00 C ATOM 0 H LEU A 81 64.770 10.759 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 81 66.664 12.263 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.932 9.895 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.753 10.973 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 81 67.263 11.035 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.595 9.371 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.820 10.529 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.147 8.893 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.445 8.725 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 81 65.990 8.259 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.868 9.442 -5.398 1.00 0.00 H new ATOM 447 N PRO A 82 64.927 13.637 -3.651 1.00 0.00 N ATOM 448 CA PRO A 82 64.067 14.737 -4.193 1.00 0.00 C ATOM 449 C PRO A 82 62.641 14.280 -4.484 1.00 0.00 C ATOM 450 O PRO A 82 61.723 15.095 -4.566 1.00 0.00 O ATOM 451 CB PRO A 82 64.750 15.139 -5.502 1.00 0.00 C ATOM 452 CG PRO A 82 66.129 14.580 -5.441 1.00 0.00 C ATOM 453 CD PRO A 82 66.064 13.356 -4.538 1.00 0.00 C ATOM 0 HA PRO A 82 63.977 15.550 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.208 14.744 -6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.774 16.223 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.481 14.309 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.828 15.317 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 82 65.908 12.443 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.988 13.224 -3.975 1.00 0.00 H new ATOM 461 N CYS A 83 62.462 12.977 -4.640 1.00 0.00 N ATOM 462 CA CYS A 83 61.143 12.434 -4.919 1.00 0.00 C ATOM 463 C CYS A 83 60.407 12.165 -3.622 1.00 0.00 C ATOM 464 O CYS A 83 59.273 11.683 -3.634 1.00 0.00 O ATOM 465 CB CYS A 83 61.250 11.147 -5.737 1.00 0.00 C ATOM 466 SG CYS A 83 62.416 10.024 -4.938 1.00 0.00 S ATOM 0 H CYS A 83 63.206 12.282 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 83 60.585 13.167 -5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.272 10.674 -5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 83 61.582 11.374 -6.750 1.00 0.00 H new ATOM 471 N LEU A 84 61.069 12.478 -2.505 1.00 0.00 N ATOM 472 CA LEU A 84 60.490 12.281 -1.191 1.00 0.00 C ATOM 473 C LEU A 84 60.487 10.815 -0.817 1.00 0.00 C ATOM 474 O LEU A 84 59.491 10.276 -0.336 1.00 0.00 O ATOM 475 CB LEU A 84 59.068 12.842 -1.142 1.00 0.00 C ATOM 476 CG LEU A 84 58.802 13.489 0.213 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.455 14.209 0.163 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.762 12.408 1.297 1.00 0.00 C ATOM 0 H LEU A 84 62.010 12.870 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 84 61.103 12.818 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.931 13.576 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.348 12.043 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 84 59.594 14.201 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 84 57.256 14.675 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.481 14.975 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.667 13.491 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.572 12.871 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.967 11.697 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.718 11.886 1.326 1.00 0.00 H new ATOM 490 N HIS A 85 61.623 10.186 -1.021 1.00 0.00 N ATOM 491 CA HIS A 85 61.774 8.793 -0.683 1.00 0.00 C ATOM 492 C HIS A 85 63.025 8.617 0.149 1.00 0.00 C ATOM 493 O HIS A 85 64.118 9.010 -0.261 1.00 0.00 O ATOM 494 CB HIS A 85 61.875 7.961 -1.949 1.00 0.00 C ATOM 495 CG HIS A 85 60.569 8.035 -2.689 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.487 7.888 -4.060 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.284 8.242 -2.259 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.194 8.013 -4.406 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.417 8.229 -3.346 1.00 0.00 N ATOM 0 H HIS A 85 62.455 10.620 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 85 60.906 8.461 -0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.685 8.329 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.109 6.926 -1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.989 8.393 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 85 58.829 7.946 -5.420 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.405 8.357 -3.334 1.00 0.00 H new ATOM 507 N SER A 86 62.859 8.042 1.320 1.00 0.00 N ATOM 508 CA SER A 86 63.991 7.835 2.207 1.00 0.00 C ATOM 509 C SER A 86 64.684 6.520 1.879 1.00 0.00 C ATOM 510 O SER A 86 64.037 5.482 1.748 1.00 0.00 O ATOM 511 CB SER A 86 63.532 7.800 3.658 1.00 0.00 C ATOM 512 OG SER A 86 62.532 8.788 3.866 1.00 0.00 O ATOM 0 H SER A 86 61.964 7.712 1.680 1.00 0.00 H new ATOM 0 HA SER A 86 64.686 8.663 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.139 6.813 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.378 7.979 4.322 1.00 0.00 H new ATOM 0 HG SER A 86 62.017 8.568 4.670 1.00 0.00 H new ATOM 518 N ALA A 87 66.003 6.568 1.750 1.00 0.00 N ATOM 519 CA ALA A 87 66.768 5.365 1.436 1.00 0.00 C ATOM 520 C ALA A 87 68.113 5.384 2.157 1.00 0.00 C ATOM 521 O ALA A 87 68.566 6.426 2.617 1.00 0.00 O ATOM 522 CB ALA A 87 66.991 5.258 -0.073 1.00 0.00 C ATOM 0 H ALA A 87 66.562 7.415 1.856 1.00 0.00 H new ATOM 0 HA ALA A 87 66.199 4.499 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.563 4.357 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.028 5.210 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.542 6.131 -0.422 1.00 0.00 H new ATOM 528 N CYS A 88 68.742 4.221 2.252 1.00 0.00 N ATOM 529 CA CYS A 88 70.032 4.111 2.922 1.00 0.00 C ATOM 530 C CYS A 88 71.092 4.919 2.171 1.00 0.00 C ATOM 531 O CYS A 88 71.021 5.054 0.951 1.00 0.00 O ATOM 532 CB CYS A 88 70.472 2.642 2.977 1.00 0.00 C ATOM 533 SG CYS A 88 69.053 1.571 3.317 1.00 0.00 S ATOM 0 H CYS A 88 68.383 3.344 1.876 1.00 0.00 H new ATOM 0 HA CYS A 88 69.927 4.502 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.932 2.358 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.228 2.511 3.751 1.00 0.00 H new ATOM 538 N SER A 89 72.080 5.448 2.897 1.00 0.00 N ATOM 539 CA SER A 89 73.138 6.226 2.252 1.00 0.00 C ATOM 540 C SER A 89 73.876 5.366 1.230 1.00 0.00 C ATOM 541 O SER A 89 74.107 5.779 0.087 1.00 0.00 O ATOM 542 CB SER A 89 74.131 6.724 3.305 1.00 0.00 C ATOM 543 OG SER A 89 75.174 7.444 2.663 1.00 0.00 O ATOM 0 H SER A 89 72.169 5.355 3.909 1.00 0.00 H new ATOM 0 HA SER A 89 72.685 7.078 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.623 7.363 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.543 5.881 3.860 1.00 0.00 H new ATOM 0 HG SER A 89 75.811 7.766 3.335 1.00 0.00 H new ATOM 549 N ALA A 90 74.223 4.159 1.645 1.00 0.00 N ATOM 550 CA ALA A 90 74.916 3.224 0.771 1.00 0.00 C ATOM 551 C ALA A 90 74.034 2.881 -0.418 1.00 0.00 C ATOM 552 O ALA A 90 74.511 2.784 -1.546 1.00 0.00 O ATOM 553 CB ALA A 90 75.271 1.947 1.534 1.00 0.00 C ATOM 0 H ALA A 90 74.036 3.802 2.582 1.00 0.00 H new ATOM 0 HA ALA A 90 75.835 3.691 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.789 1.257 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.919 2.194 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.359 1.479 1.904 1.00 0.00 H new ATOM 559 N CYS A 91 72.741 2.711 -0.159 1.00 0.00 N ATOM 560 CA CYS A 91 71.797 2.398 -1.217 1.00 0.00 C ATOM 561 C CYS A 91 71.609 3.608 -2.120 1.00 0.00 C ATOM 562 O CYS A 91 71.261 3.477 -3.294 1.00 0.00 O ATOM 563 CB CYS A 91 70.463 1.967 -0.622 1.00 0.00 C ATOM 564 SG CYS A 91 70.671 0.345 0.153 1.00 0.00 S ATOM 0 H CYS A 91 72.328 2.785 0.771 1.00 0.00 H new ATOM 0 HA CYS A 91 72.192 1.575 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.124 2.697 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.700 1.920 -1.399 1.00 0.00 H new ATOM 569 N LEU A 92 71.842 4.784 -1.559 1.00 0.00 N ATOM 570 CA LEU A 92 71.710 6.016 -2.302 1.00 0.00 C ATOM 571 C LEU A 92 72.814 6.160 -3.352 1.00 0.00 C ATOM 572 O LEU A 92 72.588 6.717 -4.424 1.00 0.00 O ATOM 573 CB LEU A 92 71.766 7.176 -1.320 1.00 0.00 C ATOM 574 CG LEU A 92 70.460 7.961 -1.398 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.425 7.308 -0.484 1.00 0.00 C ATOM 576 CD2 LEU A 92 70.705 9.399 -0.961 1.00 0.00 C ATOM 0 H LEU A 92 72.125 4.906 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 92 70.758 6.011 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 92 71.921 6.804 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.610 7.826 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 92 70.089 7.958 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.490 7.866 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.253 6.280 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.792 7.311 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 92 69.772 9.960 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 92 71.074 9.410 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.444 9.858 -1.618 1.00 0.00 H new ATOM 588 N GLY A 93 74.011 5.668 -3.042 1.00 0.00 N ATOM 589 CA GLY A 93 75.130 5.776 -3.986 1.00 0.00 C ATOM 590 C GLY A 93 74.763 5.224 -5.372 1.00 0.00 C ATOM 591 O GLY A 93 74.810 5.952 -6.363 1.00 0.00 O ATOM 0 H GLY A 93 74.233 5.199 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.428 6.820 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.990 5.232 -3.594 1.00 0.00 H new ATOM 595 N PRO A 94 74.382 3.975 -5.454 1.00 0.00 N ATOM 596 CA PRO A 94 73.971 3.329 -6.744 1.00 0.00 C ATOM 597 C PRO A 94 72.839 4.083 -7.444 1.00 0.00 C ATOM 598 O PRO A 94 72.610 3.899 -8.639 1.00 0.00 O ATOM 599 CB PRO A 94 73.504 1.933 -6.321 1.00 0.00 C ATOM 600 CG PRO A 94 74.192 1.669 -5.028 1.00 0.00 C ATOM 601 CD PRO A 94 74.323 3.024 -4.336 1.00 0.00 C ATOM 0 HA PRO A 94 74.789 3.316 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.421 1.898 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 94 73.769 1.185 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 94 73.619 0.972 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.171 1.218 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.474 3.225 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.220 3.074 -3.718 1.00 0.00 H new ATOM 609 N ALA A 95 72.131 4.922 -6.696 1.00 0.00 N ATOM 610 CA ALA A 95 71.024 5.686 -7.262 1.00 0.00 C ATOM 611 C ALA A 95 71.517 6.563 -8.412 1.00 0.00 C ATOM 612 O ALA A 95 70.814 6.751 -9.410 1.00 0.00 O ATOM 613 CB ALA A 95 70.380 6.560 -6.182 1.00 0.00 C ATOM 0 H ALA A 95 72.301 5.090 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 95 70.281 4.987 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.555 7.126 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.003 5.927 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.123 7.250 -5.782 1.00 0.00 H new ATOM 619 N ALA A 96 72.726 7.100 -8.268 1.00 0.00 N ATOM 620 CA ALA A 96 73.300 7.952 -9.305 1.00 0.00 C ATOM 621 C ALA A 96 73.720 7.100 -10.515 1.00 0.00 C ATOM 622 O ALA A 96 74.551 6.203 -10.371 1.00 0.00 O ATOM 623 CB ALA A 96 74.528 8.677 -8.752 1.00 0.00 C ATOM 0 H ALA A 96 73.322 6.962 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 96 72.551 8.680 -9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.955 9.313 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 96 74.235 9.291 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.270 7.945 -8.433 1.00 0.00 H new ATOM 629 N PRO A 97 73.179 7.342 -11.693 1.00 0.00 N ATOM 630 CA PRO A 97 73.541 6.549 -12.907 1.00 0.00 C ATOM 631 C PRO A 97 74.934 6.882 -13.438 1.00 0.00 C ATOM 632 O PRO A 97 75.443 7.982 -13.225 1.00 0.00 O ATOM 633 CB PRO A 97 72.464 6.936 -13.918 1.00 0.00 C ATOM 634 CG PRO A 97 72.039 8.308 -13.528 1.00 0.00 C ATOM 635 CD PRO A 97 72.175 8.379 -12.009 1.00 0.00 C ATOM 0 HA PRO A 97 73.579 5.480 -12.696 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.854 6.919 -14.936 1.00 0.00 H new ATOM 0 HB3 PRO A 97 71.626 6.240 -13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.662 9.061 -14.010 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.011 8.500 -13.836 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.504 9.366 -11.683 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.225 8.180 -11.513 1.00 0.00 H new ATOM 643 N ALA A 98 75.534 5.924 -14.139 1.00 0.00 N ATOM 644 CA ALA A 98 76.863 6.121 -14.712 1.00 0.00 C ATOM 645 C ALA A 98 76.747 6.693 -16.123 1.00 0.00 C ATOM 646 O ALA A 98 77.422 6.241 -17.048 1.00 0.00 O ATOM 647 CB ALA A 98 77.617 4.789 -14.759 1.00 0.00 C ATOM 0 H ALA A 98 75.124 5.008 -14.324 1.00 0.00 H new ATOM 0 HA ALA A 98 77.413 6.823 -14.085 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.607 4.946 -15.188 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.718 4.392 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 98 77.064 4.079 -15.374 1.00 0.00 H new ATOM 653 N ALA A 99 75.876 7.685 -16.272 1.00 0.00 N ATOM 654 CA ALA A 99 75.654 8.321 -17.567 1.00 0.00 C ATOM 655 C ALA A 99 74.994 7.351 -18.548 1.00 0.00 C ATOM 656 O ALA A 99 74.857 7.658 -19.733 1.00 0.00 O ATOM 657 CB ALA A 99 76.982 8.813 -18.143 1.00 0.00 C ATOM 0 H ALA A 99 75.312 8.067 -15.513 1.00 0.00 H new ATOM 0 HA ALA A 99 74.986 9.169 -17.418 1.00 0.00 H new ATOM 0 HB1 ALA A 99 76.807 9.286 -19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 99 77.429 9.536 -17.461 1.00 0.00 H new ATOM 0 HB3 ALA A 99 77.659 7.968 -18.270 1.00 0.00 H new ATOM 663 N ALA A 100 74.576 6.185 -18.051 1.00 0.00 N ATOM 664 CA ALA A 100 73.925 5.196 -18.899 1.00 0.00 C ATOM 665 C ALA A 100 72.617 5.746 -19.461 1.00 0.00 C ATOM 666 O ALA A 100 72.291 5.529 -20.627 1.00 0.00 O ATOM 667 CB ALA A 100 73.640 3.927 -18.092 1.00 0.00 C ATOM 0 H ALA A 100 74.677 5.908 -17.075 1.00 0.00 H new ATOM 0 HA ALA A 100 74.592 4.961 -19.728 1.00 0.00 H new ATOM 0 HB1 ALA A 100 73.153 3.191 -18.732 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.577 3.517 -17.715 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.987 4.168 -17.254 1.00 0.00 H new ATOM 673 N ASN A 101 71.874 6.462 -18.621 1.00 0.00 N ATOM 674 CA ASN A 101 70.601 7.040 -19.038 1.00 0.00 C ATOM 675 C ASN A 101 70.794 8.465 -19.545 1.00 0.00 C ATOM 676 O ASN A 101 71.043 9.385 -18.765 1.00 0.00 O ATOM 677 CB ASN A 101 69.618 7.043 -17.865 1.00 0.00 C ATOM 678 CG ASN A 101 68.234 7.469 -18.343 1.00 0.00 C ATOM 679 OD1 ASN A 101 67.869 7.222 -19.493 1.00 0.00 O ATOM 680 ND2 ASN A 101 67.436 8.096 -17.522 1.00 0.00 N ATOM 0 H ASN A 101 72.130 6.655 -17.653 1.00 0.00 H new ATOM 0 HA ASN A 101 70.199 6.432 -19.848 1.00 0.00 H new ATOM 0 HB2 ASN A 101 69.568 6.049 -17.420 1.00 0.00 H new ATOM 0 HB3 ASN A 101 69.968 7.723 -17.088 1.00 0.00 H new ATOM 0 HD21 ASN A 101 66.508 8.383 -17.832 1.00 0.00 H new ATOM 0 HD22 ASN A 101 67.741 8.299 -16.570 1.00 0.00 H new ATOM 687 N SER A 102 70.679 8.641 -20.859 1.00 0.00 N ATOM 688 CA SER A 102 70.845 9.958 -21.461 1.00 0.00 C ATOM 689 C SER A 102 69.515 10.708 -21.491 1.00 0.00 C ATOM 690 O SER A 102 68.978 10.995 -22.561 1.00 0.00 O ATOM 691 CB SER A 102 71.381 9.813 -22.885 1.00 0.00 C ATOM 692 OG SER A 102 72.648 9.171 -22.845 1.00 0.00 O ATOM 0 H SER A 102 70.473 7.893 -21.522 1.00 0.00 H new ATOM 0 HA SER A 102 71.554 10.526 -20.859 1.00 0.00 H new ATOM 0 HB2 SER A 102 70.685 9.233 -23.491 1.00 0.00 H new ATOM 0 HB3 SER A 102 71.471 10.793 -23.354 1.00 0.00 H new ATOM 0 HG SER A 102 72.995 9.074 -23.757 1.00 0.00 H new ATOM 698 N SER A 103 68.991 11.025 -20.311 1.00 0.00 N ATOM 699 CA SER A 103 67.724 11.744 -20.217 1.00 0.00 C ATOM 700 C SER A 103 67.617 12.470 -18.879 1.00 0.00 C ATOM 701 O SER A 103 68.357 12.177 -17.941 1.00 0.00 O ATOM 702 CB SER A 103 66.556 10.769 -20.364 1.00 0.00 C ATOM 703 OG SER A 103 66.524 9.901 -19.239 1.00 0.00 O ATOM 0 H SER A 103 69.419 10.798 -19.414 1.00 0.00 H new ATOM 0 HA SER A 103 67.686 12.479 -21.021 1.00 0.00 H new ATOM 0 HB2 SER A 103 65.617 11.317 -20.441 1.00 0.00 H new ATOM 0 HB3 SER A 103 66.664 10.190 -21.281 1.00 0.00 H new ATOM 0 HG SER A 103 65.601 9.617 -19.071 1.00 0.00 H new ATOM 709 N GLY A 104 66.683 13.414 -18.797 1.00 0.00 N ATOM 710 CA GLY A 104 66.481 14.172 -17.568 1.00 0.00 C ATOM 711 C GLY A 104 66.323 15.661 -17.855 1.00 0.00 C ATOM 712 O GLY A 104 67.020 16.222 -18.700 1.00 0.00 O ATOM 0 H GLY A 104 66.059 13.670 -19.562 1.00 0.00 H new ATOM 0 HA2 GLY A 104 65.595 13.803 -17.052 1.00 0.00 H new ATOM 0 HA3 GLY A 104 67.327 14.016 -16.899 1.00 0.00 H new ATOM 716 N ASP A 105 65.397 16.298 -17.149 1.00 0.00 N ATOM 717 CA ASP A 105 65.158 17.724 -17.334 1.00 0.00 C ATOM 718 C ASP A 105 66.365 18.546 -16.883 1.00 0.00 C ATOM 719 O ASP A 105 66.746 19.517 -17.536 1.00 0.00 O ATOM 720 CB ASP A 105 63.919 18.155 -16.545 1.00 0.00 C ATOM 721 CG ASP A 105 63.581 19.607 -16.866 1.00 0.00 C ATOM 722 OD1 ASP A 105 63.242 19.877 -18.006 1.00 0.00 O ATOM 723 OD2 ASP A 105 63.667 20.426 -15.965 1.00 0.00 O ATOM 0 H ASP A 105 64.803 15.854 -16.448 1.00 0.00 H new ATOM 0 HA ASP A 105 64.994 17.904 -18.397 1.00 0.00 H new ATOM 0 HB2 ASP A 105 63.075 17.512 -16.795 1.00 0.00 H new ATOM 0 HB3 ASP A 105 64.100 18.042 -15.476 1.00 0.00 H new ATOM 728 N GLY A 106 66.953 18.154 -15.754 1.00 0.00 N ATOM 729 CA GLY A 106 68.107 18.870 -15.214 1.00 0.00 C ATOM 730 C GLY A 106 69.283 18.849 -16.185 1.00 0.00 C ATOM 731 O GLY A 106 69.980 19.850 -16.348 1.00 0.00 O ATOM 0 H GLY A 106 66.653 17.352 -15.200 1.00 0.00 H new ATOM 0 HA2 GLY A 106 67.829 19.902 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 106 68.407 18.418 -14.268 1.00 0.00 H new ATOM 735 N GLY A 107 69.501 17.706 -16.821 1.00 0.00 N ATOM 736 CA GLY A 107 70.599 17.574 -17.772 1.00 0.00 C ATOM 737 C GLY A 107 70.285 16.514 -18.818 1.00 0.00 C ATOM 738 O GLY A 107 69.432 15.655 -18.609 1.00 0.00 O ATOM 0 H GLY A 107 68.939 16.864 -16.698 1.00 0.00 H new ATOM 0 HA2 GLY A 107 70.779 18.531 -18.261 1.00 0.00 H new ATOM 0 HA3 GLY A 107 71.514 17.309 -17.243 1.00 0.00 H new ATOM 742 N ALA A 108 70.983 16.577 -19.943 1.00 0.00 N ATOM 743 CA ALA A 108 70.767 15.615 -21.016 1.00 0.00 C ATOM 744 C ALA A 108 71.038 14.201 -20.522 1.00 0.00 C ATOM 745 O ALA A 108 70.332 13.259 -20.880 1.00 0.00 O ATOM 746 CB ALA A 108 71.685 15.935 -22.196 1.00 0.00 C ATOM 0 H ALA A 108 71.698 17.278 -20.137 1.00 0.00 H new ATOM 0 HA ALA A 108 69.728 15.682 -21.340 1.00 0.00 H new ATOM 0 HB1 ALA A 108 71.518 15.211 -22.994 1.00 0.00 H new ATOM 0 HB2 ALA A 108 71.468 16.938 -22.564 1.00 0.00 H new ATOM 0 HB3 ALA A 108 72.725 15.884 -21.872 1.00 0.00 H new ATOM 752 N ALA A 109 72.067 14.060 -19.696 1.00 0.00 N ATOM 753 CA ALA A 109 72.425 12.756 -19.154 1.00 0.00 C ATOM 754 C ALA A 109 72.539 12.825 -17.636 1.00 0.00 C ATOM 755 O ALA A 109 72.747 13.897 -17.069 1.00 0.00 O ATOM 756 CB ALA A 109 73.755 12.292 -19.747 1.00 0.00 C ATOM 0 H ALA A 109 72.665 14.827 -19.388 1.00 0.00 H new ATOM 0 HA ALA A 109 71.643 12.044 -19.418 1.00 0.00 H new ATOM 0 HB1 ALA A 109 74.016 11.316 -19.337 1.00 0.00 H new ATOM 0 HB2 ALA A 109 73.664 12.217 -20.831 1.00 0.00 H new ATOM 0 HB3 ALA A 109 74.535 13.011 -19.497 1.00 0.00 H new ATOM 762 N GLY A 110 72.408 11.674 -16.987 1.00 0.00 N ATOM 763 CA GLY A 110 72.507 11.617 -15.533 1.00 0.00 C ATOM 764 C GLY A 110 73.965 11.617 -15.108 1.00 0.00 C ATOM 765 O GLY A 110 74.831 12.070 -15.860 1.00 0.00 O ATOM 0 H GLY A 110 72.235 10.776 -17.439 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.992 12.470 -15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.012 10.719 -15.162 1.00 0.00 H new ATOM 769 N ASP A 111 74.222 11.124 -13.897 1.00 0.00 N ATOM 770 CA ASP A 111 75.586 11.070 -13.358 1.00 0.00 C ATOM 771 C ASP A 111 76.055 12.461 -12.947 1.00 0.00 C ATOM 772 O ASP A 111 76.753 13.141 -13.700 1.00 0.00 O ATOM 773 CB ASP A 111 76.556 10.491 -14.394 1.00 0.00 C ATOM 774 CG ASP A 111 77.804 9.957 -13.704 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.872 10.051 -12.490 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.676 9.462 -14.400 1.00 0.00 O ATOM 0 H ASP A 111 73.507 10.756 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 111 75.573 10.422 -12.481 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.069 9.691 -14.952 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.831 11.260 -15.115 1.00 0.00 H new ATOM 781 N GLY A 112 75.643 12.888 -11.760 1.00 0.00 N ATOM 782 CA GLY A 112 75.992 14.209 -11.266 1.00 0.00 C ATOM 783 C GLY A 112 74.775 15.118 -11.315 1.00 0.00 C ATOM 784 O GLY A 112 74.724 16.145 -10.640 1.00 0.00 O ATOM 0 H GLY A 112 75.067 12.337 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.363 14.138 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.796 14.631 -11.868 1.00 0.00 H new ATOM 788 N THR A 113 73.786 14.714 -12.103 1.00 0.00 N ATOM 789 CA THR A 113 72.558 15.470 -12.221 1.00 0.00 C ATOM 790 C THR A 113 71.386 14.657 -11.683 1.00 0.00 C ATOM 791 O THR A 113 71.364 14.307 -10.503 1.00 0.00 O ATOM 792 CB THR A 113 72.341 15.909 -13.671 1.00 0.00 C ATOM 793 OG1 THR A 113 72.275 14.766 -14.510 1.00 0.00 O ATOM 794 CG2 THR A 113 73.495 16.808 -14.108 1.00 0.00 C ATOM 0 H THR A 113 73.816 13.865 -12.668 1.00 0.00 H new ATOM 0 HA THR A 113 72.631 16.375 -11.617 1.00 0.00 H new ATOM 0 HB THR A 113 71.405 16.462 -13.748 1.00 0.00 H new ATOM 0 HG1 THR A 113 72.579 15.003 -15.411 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.341 17.121 -15.141 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.535 17.687 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.433 16.259 -14.031 1.00 0.00 H new ATOM 802 N VAL A 114 70.417 14.366 -12.530 1.00 0.00 N ATOM 803 CA VAL A 114 69.263 13.611 -12.101 1.00 0.00 C ATOM 804 C VAL A 114 69.686 12.240 -11.600 1.00 0.00 C ATOM 805 O VAL A 114 70.482 11.548 -12.234 1.00 0.00 O ATOM 806 CB VAL A 114 68.311 13.456 -13.280 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.932 14.835 -13.822 1.00 0.00 C ATOM 808 CG2 VAL A 114 69.002 12.647 -14.381 1.00 0.00 C ATOM 0 H VAL A 114 70.408 14.640 -13.512 1.00 0.00 H new ATOM 0 HA VAL A 114 68.766 14.139 -11.287 1.00 0.00 H new ATOM 0 HB VAL A 114 67.409 12.939 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.251 14.720 -14.665 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.444 15.413 -13.037 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.831 15.357 -14.150 1.00 0.00 H new ATOM 0 HG21 VAL A 114 68.325 12.533 -15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.903 13.168 -14.704 1.00 0.00 H new ATOM 0 HG23 VAL A 114 69.270 11.663 -13.996 1.00 0.00 H new ATOM 818 N VAL A 115 69.157 11.867 -10.447 1.00 0.00 N ATOM 819 CA VAL A 115 69.486 10.591 -9.842 1.00 0.00 C ATOM 820 C VAL A 115 68.318 9.633 -9.980 1.00 0.00 C ATOM 821 O VAL A 115 67.175 9.984 -9.688 1.00 0.00 O ATOM 822 CB VAL A 115 69.809 10.799 -8.368 1.00 0.00 C ATOM 823 CG1 VAL A 115 70.182 9.463 -7.729 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.973 11.786 -8.247 1.00 0.00 C ATOM 0 H VAL A 115 68.497 12.432 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 115 70.352 10.166 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 115 68.938 11.202 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.412 9.616 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.346 8.770 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 115 71.054 9.049 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 115 71.211 11.941 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.846 11.384 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.692 12.737 -8.699 1.00 0.00 H new ATOM 834 N ASP A 116 68.604 8.426 -10.439 1.00 0.00 N ATOM 835 CA ASP A 116 67.552 7.443 -10.618 1.00 0.00 C ATOM 836 C ASP A 116 67.064 6.968 -9.263 1.00 0.00 C ATOM 837 O ASP A 116 67.855 6.697 -8.360 1.00 0.00 O ATOM 838 CB ASP A 116 68.057 6.253 -11.430 1.00 0.00 C ATOM 839 CG ASP A 116 68.340 6.681 -12.868 1.00 0.00 C ATOM 840 OD1 ASP A 116 67.861 7.732 -13.258 1.00 0.00 O ATOM 841 OD2 ASP A 116 69.036 5.952 -13.555 1.00 0.00 O ATOM 0 H ASP A 116 69.540 8.108 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 116 66.730 7.908 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.964 5.852 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.315 5.454 -11.419 1.00 0.00 H new ATOM 846 N CYS A 117 65.758 6.883 -9.132 1.00 0.00 N ATOM 847 CA CYS A 117 65.151 6.458 -7.894 1.00 0.00 C ATOM 848 C CYS A 117 64.405 5.138 -8.108 1.00 0.00 C ATOM 849 O CYS A 117 63.657 5.016 -9.056 1.00 0.00 O ATOM 850 CB CYS A 117 64.157 7.523 -7.453 1.00 0.00 C ATOM 851 SG CYS A 117 63.621 7.171 -5.764 1.00 0.00 S ATOM 0 H CYS A 117 65.094 7.105 -9.874 1.00 0.00 H new ATOM 0 HA CYS A 117 65.921 6.316 -7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.617 8.510 -7.503 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.298 7.537 -8.124 1.00 0.00 H new ATOM 856 N PRO A 118 64.554 4.146 -7.278 1.00 0.00 N ATOM 857 CA PRO A 118 63.807 2.872 -7.482 1.00 0.00 C ATOM 858 C PRO A 118 62.297 3.091 -7.599 1.00 0.00 C ATOM 859 O PRO A 118 61.574 2.211 -8.064 1.00 0.00 O ATOM 860 CB PRO A 118 64.111 2.063 -6.232 1.00 0.00 C ATOM 861 CG PRO A 118 65.390 2.614 -5.694 1.00 0.00 C ATOM 862 CD PRO A 118 65.429 4.090 -6.093 1.00 0.00 C ATOM 0 HA PRO A 118 64.107 2.383 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.307 2.155 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.209 1.003 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.435 2.504 -4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.246 2.078 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.063 4.733 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.442 4.417 -6.326 1.00 0.00 H new ATOM 870 N VAL A 119 61.821 4.250 -7.154 1.00 0.00 N ATOM 871 CA VAL A 119 60.388 4.536 -7.198 1.00 0.00 C ATOM 872 C VAL A 119 59.990 5.305 -8.464 1.00 0.00 C ATOM 873 O VAL A 119 59.049 4.918 -9.161 1.00 0.00 O ATOM 874 CB VAL A 119 59.995 5.352 -5.969 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.484 5.252 -5.740 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.736 4.810 -4.743 1.00 0.00 C ATOM 0 H VAL A 119 62.395 4.997 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 119 59.862 3.582 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 119 60.264 6.396 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.210 5.836 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 119 57.957 5.639 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.208 4.209 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.458 5.391 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.467 3.765 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.811 4.888 -4.904 1.00 0.00 H new ATOM 886 N CYS A 120 60.697 6.396 -8.756 1.00 0.00 N ATOM 887 CA CYS A 120 60.385 7.204 -9.939 1.00 0.00 C ATOM 888 C CYS A 120 61.351 6.879 -11.069 1.00 0.00 C ATOM 889 O CYS A 120 61.002 6.935 -12.249 1.00 0.00 O ATOM 890 CB CYS A 120 60.514 8.687 -9.594 1.00 0.00 C ATOM 891 SG CYS A 120 60.342 8.904 -7.807 1.00 0.00 S ATOM 0 H CYS A 120 61.480 6.739 -8.199 1.00 0.00 H new ATOM 0 HA CYS A 120 59.367 6.979 -10.256 1.00 0.00 H new ATOM 0 HB2 CYS A 120 61.480 9.066 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.749 9.261 -10.117 1.00 0.00 H new ATOM 896 N LYS A 121 62.562 6.523 -10.683 1.00 0.00 N ATOM 897 CA LYS A 121 63.607 6.162 -11.631 1.00 0.00 C ATOM 898 C LYS A 121 63.868 7.302 -12.611 1.00 0.00 C ATOM 899 O LYS A 121 64.320 7.080 -13.734 1.00 0.00 O ATOM 900 CB LYS A 121 63.205 4.886 -12.378 1.00 0.00 C ATOM 901 CG LYS A 121 63.859 3.660 -11.723 1.00 0.00 C ATOM 902 CD LYS A 121 62.797 2.834 -10.992 1.00 0.00 C ATOM 903 CE LYS A 121 63.286 1.395 -10.855 1.00 0.00 C ATOM 904 NZ LYS A 121 62.272 0.589 -10.116 1.00 0.00 N ATOM 0 H LYS A 121 62.852 6.475 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 121 64.531 5.977 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.120 4.777 -12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.510 4.956 -13.422 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.349 3.049 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.631 3.979 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.602 3.260 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.857 2.860 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.459 0.964 -11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.239 1.373 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.675 -0.339 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.002 1.086 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.431 0.457 -10.713 1.00 0.00 H new ATOM 918 N GLN A 122 63.594 8.527 -12.169 1.00 0.00 N ATOM 919 CA GLN A 122 63.819 9.698 -13.008 1.00 0.00 C ATOM 920 C GLN A 122 63.673 10.982 -12.196 1.00 0.00 C ATOM 921 O GLN A 122 62.571 11.348 -11.790 1.00 0.00 O ATOM 922 CB GLN A 122 62.818 9.711 -14.161 1.00 0.00 C ATOM 923 CG GLN A 122 63.118 10.887 -15.092 1.00 0.00 C ATOM 924 CD GLN A 122 62.176 10.840 -16.290 1.00 0.00 C ATOM 925 OE1 GLN A 122 61.350 9.931 -16.393 1.00 0.00 O ATOM 926 NE2 GLN A 122 62.245 11.765 -17.207 1.00 0.00 N ATOM 0 H GLN A 122 63.219 8.732 -11.243 1.00 0.00 H new ATOM 0 HA GLN A 122 64.834 9.646 -13.403 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.874 8.773 -14.714 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.803 9.792 -13.773 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.996 11.829 -14.557 1.00 0.00 H new ATOM 0 HG3 GLN A 122 64.154 10.843 -15.428 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.928 12.517 -17.122 1.00 0.00 H new ATOM 0 HE22 GLN A 122 61.615 11.736 -18.009 1.00 0.00 H new ATOM 935 N GLN A 123 64.789 11.670 -11.976 1.00 0.00 N ATOM 936 CA GLN A 123 64.772 12.920 -11.226 1.00 0.00 C ATOM 937 C GLN A 123 64.887 14.113 -12.166 1.00 0.00 C ATOM 938 O GLN A 123 65.318 13.972 -13.309 1.00 0.00 O ATOM 939 CB GLN A 123 65.922 12.946 -10.219 1.00 0.00 C ATOM 940 CG GLN A 123 65.530 12.164 -8.961 1.00 0.00 C ATOM 941 CD GLN A 123 64.413 12.901 -8.234 1.00 0.00 C ATOM 942 OE1 GLN A 123 64.145 14.065 -8.527 1.00 0.00 O ATOM 943 NE2 GLN A 123 63.744 12.290 -7.300 1.00 0.00 N ATOM 0 H GLN A 123 65.712 11.385 -12.305 1.00 0.00 H new ATOM 0 HA GLN A 123 63.824 12.985 -10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.817 12.511 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.165 13.976 -9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.202 11.160 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.394 12.052 -8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 123 63.969 11.325 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 123 62.994 12.776 -6.808 1.00 0.00 H new ATOM 952 N CYS A 124 64.489 15.284 -11.680 1.00 0.00 N ATOM 953 CA CYS A 124 64.548 16.496 -12.489 1.00 0.00 C ATOM 954 C CYS A 124 65.860 17.237 -12.244 1.00 0.00 C ATOM 955 O CYS A 124 66.508 17.697 -13.184 1.00 0.00 O ATOM 956 CB CYS A 124 63.374 17.410 -12.135 1.00 0.00 C ATOM 957 SG CYS A 124 61.817 16.563 -12.500 1.00 0.00 S ATOM 0 H CYS A 124 64.125 15.419 -10.737 1.00 0.00 H new ATOM 0 HA CYS A 124 64.491 16.216 -13.541 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.415 17.680 -11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.437 18.338 -12.704 1.00 0.00 H new ATOM 0 HG CYS A 124 60.819 17.339 -12.197 1.00 0.00 H new ATOM 963 N PHE A 125 66.240 17.350 -10.977 1.00 0.00 N ATOM 964 CA PHE A 125 67.473 18.038 -10.610 1.00 0.00 C ATOM 965 C PHE A 125 68.139 17.387 -9.405 1.00 0.00 C ATOM 966 O PHE A 125 67.545 16.544 -8.732 1.00 0.00 O ATOM 967 CB PHE A 125 67.186 19.506 -10.311 1.00 0.00 C ATOM 968 CG PHE A 125 65.914 19.616 -9.505 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.959 19.563 -8.108 1.00 0.00 C ATOM 970 CD2 PHE A 125 64.688 19.762 -10.161 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.775 19.659 -7.367 1.00 0.00 C ATOM 972 CE2 PHE A 125 63.504 19.860 -9.420 1.00 0.00 C ATOM 973 CZ PHE A 125 63.548 19.807 -8.022 1.00 0.00 C ATOM 0 H PHE A 125 65.714 16.975 -10.188 1.00 0.00 H new ATOM 0 HA PHE A 125 68.158 17.965 -11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 125 68.018 19.945 -9.760 1.00 0.00 H new ATOM 0 HB3 PHE A 125 67.089 20.066 -11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 125 66.906 19.448 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 125 64.654 19.799 -11.240 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.809 19.619 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 125 62.557 19.976 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 125 62.635 19.880 -7.449 1.00 0.00 H new ATOM 983 N SER A 126 69.385 17.778 -9.150 1.00 0.00 N ATOM 984 CA SER A 126 70.137 17.224 -8.036 1.00 0.00 C ATOM 985 C SER A 126 70.240 18.212 -6.881 1.00 0.00 C ATOM 986 O SER A 126 71.307 18.398 -6.297 1.00 0.00 O ATOM 987 CB SER A 126 71.532 16.849 -8.497 1.00 0.00 C ATOM 988 OG SER A 126 72.313 18.028 -8.643 1.00 0.00 O ATOM 0 H SER A 126 69.890 18.473 -9.699 1.00 0.00 H new ATOM 0 HA SER A 126 69.606 16.340 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.998 16.178 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.482 16.313 -9.445 1.00 0.00 H new ATOM 0 HG SER A 126 72.378 18.486 -7.779 1.00 0.00 H new ATOM 994 N LYS A 127 69.130 18.842 -6.569 1.00 0.00 N ATOM 995 CA LYS A 127 69.087 19.813 -5.482 1.00 0.00 C ATOM 996 C LYS A 127 68.776 19.132 -4.150 1.00 0.00 C ATOM 997 O LYS A 127 69.284 19.535 -3.104 1.00 0.00 O ATOM 998 CB LYS A 127 68.029 20.873 -5.774 1.00 0.00 C ATOM 999 CG LYS A 127 68.336 21.570 -7.106 1.00 0.00 C ATOM 1000 CD LYS A 127 69.674 22.311 -7.013 1.00 0.00 C ATOM 1001 CE LYS A 127 69.863 23.196 -8.247 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.012 22.342 -9.461 1.00 0.00 N ATOM 0 H LYS A 127 68.241 18.704 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 127 70.067 20.284 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.042 20.412 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.005 21.606 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.373 20.835 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.539 22.271 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 127 69.701 22.920 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.492 21.595 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 127 69.008 23.863 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.744 23.826 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 70.291 22.934 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 70.742 21.621 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 69.107 21.875 -9.670 1.00 0.00 H new ATOM 1016 N ASP A 128 67.919 18.113 -4.192 1.00 0.00 N ATOM 1017 CA ASP A 128 67.528 17.405 -2.979 1.00 0.00 C ATOM 1018 C ASP A 128 68.137 16.003 -2.910 1.00 0.00 C ATOM 1019 O ASP A 128 67.634 15.133 -2.198 1.00 0.00 O ATOM 1020 CB ASP A 128 66.007 17.316 -2.903 1.00 0.00 C ATOM 1021 CG ASP A 128 65.420 18.693 -2.612 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.179 19.570 -2.230 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.222 18.851 -2.774 1.00 0.00 O ATOM 0 H ASP A 128 67.486 17.763 -5.047 1.00 0.00 H new ATOM 0 HA ASP A 128 67.910 17.969 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.609 16.933 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 128 65.714 16.614 -2.123 1.00 0.00 H new ATOM 1028 N ILE A 129 69.212 15.783 -3.648 1.00 0.00 N ATOM 1029 CA ILE A 129 69.873 14.478 -3.644 1.00 0.00 C ATOM 1030 C ILE A 129 70.568 14.239 -2.312 1.00 0.00 C ATOM 1031 O ILE A 129 70.361 14.997 -1.364 1.00 0.00 O ATOM 1032 CB ILE A 129 70.898 14.400 -4.775 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.790 15.644 -4.726 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.162 14.326 -6.111 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.071 15.413 -5.533 1.00 0.00 C ATOM 0 H ILE A 129 69.646 16.480 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 129 69.114 13.710 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 129 71.520 13.512 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.250 16.503 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.041 15.879 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.887 14.270 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.528 13.439 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.545 15.216 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.695 16.306 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.617 14.568 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.814 15.201 -6.571 1.00 0.00 H new ATOM 1047 N VAL A 130 71.381 13.176 -2.252 1.00 0.00 N ATOM 1048 CA VAL A 130 72.108 12.827 -1.040 1.00 0.00 C ATOM 1049 C VAL A 130 72.605 14.075 -0.346 1.00 0.00 C ATOM 1050 O VAL A 130 73.506 14.745 -0.836 1.00 0.00 O ATOM 1051 CB VAL A 130 73.294 11.929 -1.379 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.931 12.386 -2.697 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.333 11.998 -0.255 1.00 0.00 C ATOM 0 H VAL A 130 71.547 12.545 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 130 71.430 12.294 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 130 72.945 10.902 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.777 11.742 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 130 73.194 12.326 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.275 13.415 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.178 11.355 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.679 13.025 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.882 11.662 0.679 1.00 0.00 H new ATOM 1063 N GLU A 131 71.978 14.368 0.786 1.00 0.00 N ATOM 1064 CA GLU A 131 72.299 15.544 1.587 1.00 0.00 C ATOM 1065 C GLU A 131 71.233 15.789 2.631 1.00 0.00 C ATOM 1066 O GLU A 131 71.495 16.398 3.669 1.00 0.00 O ATOM 1067 CB GLU A 131 72.345 16.787 0.716 1.00 0.00 C ATOM 1068 CG GLU A 131 73.798 17.183 0.494 1.00 0.00 C ATOM 1069 CD GLU A 131 73.941 17.957 -0.809 1.00 0.00 C ATOM 1070 OE1 GLU A 131 72.975 18.586 -1.210 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.013 17.908 -1.391 1.00 0.00 O ATOM 0 H GLU A 131 71.230 13.795 1.176 1.00 0.00 H new ATOM 0 HA GLU A 131 73.266 15.356 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 131 71.857 16.595 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 131 71.801 17.602 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.147 17.793 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.425 16.292 0.466 1.00 0.00 H new ATOM 1078 N ASN A 132 70.021 15.353 2.337 1.00 0.00 N ATOM 1079 CA ASN A 132 68.926 15.585 3.254 1.00 0.00 C ATOM 1080 C ASN A 132 68.888 14.512 4.330 1.00 0.00 C ATOM 1081 O ASN A 132 68.042 13.616 4.301 1.00 0.00 O ATOM 1082 CB ASN A 132 67.604 15.602 2.496 1.00 0.00 C ATOM 1083 CG ASN A 132 67.663 16.623 1.368 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.490 17.820 1.600 1.00 0.00 O ATOM 1085 ND2 ASN A 132 67.919 16.219 0.157 1.00 0.00 N ATOM 0 H ASN A 132 69.775 14.846 1.487 1.00 0.00 H new ATOM 0 HA ASN A 132 69.079 16.552 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.395 14.612 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 132 66.788 15.847 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 132 67.977 16.895 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.062 15.226 -0.030 1.00 0.00 H new ATOM 1092 N TYR A 133 69.817 14.600 5.271 1.00 0.00 N ATOM 1093 CA TYR A 133 69.890 13.622 6.344 1.00 0.00 C ATOM 1094 C TYR A 133 68.960 14.000 7.494 1.00 0.00 C ATOM 1095 O TYR A 133 69.166 15.007 8.172 1.00 0.00 O ATOM 1096 CB TYR A 133 71.329 13.531 6.852 1.00 0.00 C ATOM 1097 CG TYR A 133 71.464 12.354 7.777 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.673 11.090 7.237 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.387 12.524 9.166 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.809 9.981 8.076 1.00 0.00 C ATOM 1101 CE2 TYR A 133 71.521 11.415 10.009 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.733 10.142 9.463 1.00 0.00 C ATOM 1103 OH TYR A 133 71.869 9.047 10.290 1.00 0.00 O ATOM 0 H TYR A 133 70.525 15.333 5.313 1.00 0.00 H new ATOM 0 HA TYR A 133 69.573 12.655 5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 133 72.016 13.427 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.600 14.449 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.730 10.965 6.166 1.00 0.00 H new ATOM 0 HD2 TYR A 133 71.225 13.507 9.584 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.973 9.001 7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.461 11.540 11.080 1.00 0.00 H new ATOM 0 HH TYR A 133 72.814 8.926 10.519 1.00 0.00 H new ATOM 1113 N PHE A 134 67.941 13.174 7.707 1.00 0.00 N ATOM 1114 CA PHE A 134 66.981 13.400 8.771 1.00 0.00 C ATOM 1115 C PHE A 134 67.352 12.579 10.002 1.00 0.00 C ATOM 1116 O PHE A 134 68.352 11.862 9.999 1.00 0.00 O ATOM 1117 CB PHE A 134 65.589 13.009 8.289 1.00 0.00 C ATOM 1118 CG PHE A 134 64.994 14.143 7.494 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.833 14.013 6.114 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.612 15.328 8.136 1.00 0.00 C ATOM 1121 CE1 PHE A 134 64.286 15.064 5.369 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.063 16.380 7.393 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.901 16.249 6.009 1.00 0.00 C ATOM 0 H PHE A 134 67.762 12.338 7.151 1.00 0.00 H new ATOM 0 HA PHE A 134 66.990 14.456 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.645 12.110 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 134 64.951 12.774 9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 134 65.131 13.100 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.741 15.430 9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 134 64.161 14.961 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.765 17.292 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 134 63.479 17.061 5.435 1.00 0.00 H new ATOM 1133 N MET A 135 66.544 12.692 11.051 1.00 0.00 N ATOM 1134 CA MET A 135 66.796 11.967 12.278 1.00 0.00 C ATOM 1135 C MET A 135 67.058 10.491 11.983 1.00 0.00 C ATOM 1136 O MET A 135 66.703 9.989 10.917 1.00 0.00 O ATOM 1137 CB MET A 135 65.591 12.122 13.200 1.00 0.00 C ATOM 1138 CG MET A 135 64.505 11.132 12.797 1.00 0.00 C ATOM 1139 SD MET A 135 62.970 11.531 13.670 1.00 0.00 S ATOM 1140 CE MET A 135 63.587 11.285 15.356 1.00 0.00 C ATOM 0 H MET A 135 65.711 13.280 11.070 1.00 0.00 H new ATOM 0 HA MET A 135 67.682 12.373 12.766 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.888 11.950 14.234 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.207 13.141 13.144 1.00 0.00 H new ATOM 0 HG2 MET A 135 64.344 11.171 11.720 1.00 0.00 H new ATOM 0 HG3 MET A 135 64.818 10.116 13.036 1.00 0.00 H new ATOM 0 HE1 MET A 135 62.810 10.822 15.964 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.463 10.637 15.332 1.00 0.00 H new ATOM 0 HE3 MET A 135 63.860 12.248 15.788 1.00 0.00 H new ATOM 1150 N ARG A 136 67.695 9.810 12.928 1.00 0.00 N ATOM 1151 CA ARG A 136 68.020 8.398 12.758 1.00 0.00 C ATOM 1152 C ARG A 136 66.990 7.527 13.462 1.00 0.00 C ATOM 1153 O ARG A 136 67.225 7.042 14.570 1.00 0.00 O ATOM 1154 CB ARG A 136 69.400 8.125 13.353 1.00 0.00 C ATOM 1155 CG ARG A 136 70.376 9.203 12.885 1.00 0.00 C ATOM 1156 CD ARG A 136 71.809 8.715 13.095 1.00 0.00 C ATOM 1157 NE ARG A 136 72.034 8.397 14.503 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.304 9.343 15.403 1.00 0.00 C ATOM 1159 NH1 ARG A 136 72.358 10.604 15.056 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.521 9.004 16.647 1.00 0.00 N ATOM 0 H ARG A 136 67.996 10.210 13.817 1.00 0.00 H new ATOM 0 HA ARG A 136 68.016 8.160 11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 136 69.344 8.117 14.442 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.753 7.141 13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.208 9.429 11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 136 70.209 10.126 13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.994 7.833 12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.513 9.482 12.771 1.00 0.00 H new ATOM 0 HE ARG A 136 71.983 7.424 14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 136 72.192 10.874 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 136 72.566 11.317 15.755 1.00 0.00 H new ATOM 0 HH21 ARG A 136 72.483 8.023 16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 136 72.728 9.721 17.342 1.00 0.00 H new ATOM 1174 N ASP A 137 65.853 7.328 12.813 1.00 0.00 N ATOM 1175 CA ASP A 137 64.795 6.507 13.389 1.00 0.00 C ATOM 1176 C ASP A 137 65.088 5.027 13.172 1.00 0.00 C ATOM 1177 O ASP A 137 64.964 4.519 12.061 1.00 0.00 O ATOM 1178 CB ASP A 137 63.458 6.859 12.745 1.00 0.00 C ATOM 1179 CG ASP A 137 62.969 8.210 13.255 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.506 8.677 14.246 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.065 8.760 12.646 1.00 0.00 O ATOM 0 H ASP A 137 65.639 7.719 11.896 1.00 0.00 H new ATOM 0 HA ASP A 137 64.749 6.705 14.460 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.565 6.888 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 137 62.722 6.088 12.972 1.00 0.00 H new ATOM 1186 N SER A 138 65.478 4.345 14.244 1.00 0.00 N ATOM 1187 CA SER A 138 65.783 2.927 14.176 1.00 0.00 C ATOM 1188 C SER A 138 65.969 2.356 15.575 1.00 0.00 C ATOM 1189 O SER A 138 66.295 3.086 16.511 1.00 0.00 O ATOM 1190 CB SER A 138 67.053 2.732 13.363 1.00 0.00 C ATOM 1191 OG SER A 138 68.165 3.218 14.103 1.00 0.00 O ATOM 0 H SER A 138 65.589 4.756 15.171 1.00 0.00 H new ATOM 0 HA SER A 138 64.955 2.403 13.699 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.190 1.676 13.130 1.00 0.00 H new ATOM 0 HB3 SER A 138 66.975 3.261 12.413 1.00 0.00 H new ATOM 0 HG SER A 138 68.308 4.165 13.894 1.00 0.00 H new ATOM 1197 N GLY A 139 65.776 1.050 15.716 1.00 0.00 N ATOM 1198 CA GLY A 139 65.948 0.404 17.012 1.00 0.00 C ATOM 1199 C GLY A 139 65.050 1.045 18.066 1.00 0.00 C ATOM 1200 O GLY A 139 65.431 1.149 19.232 1.00 0.00 O ATOM 0 H GLY A 139 65.503 0.423 14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 139 65.715 -0.657 16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 139 66.990 0.477 17.323 1.00 0.00 H new ATOM 1204 N SER A 140 63.866 1.483 17.653 1.00 0.00 N ATOM 1205 CA SER A 140 62.941 2.124 18.582 1.00 0.00 C ATOM 1206 C SER A 140 63.604 3.336 19.232 1.00 0.00 C ATOM 1207 O SER A 140 63.449 3.573 20.431 1.00 0.00 O ATOM 1208 CB SER A 140 62.513 1.133 19.664 1.00 0.00 C ATOM 1209 OG SER A 140 61.889 0.010 19.053 1.00 0.00 O ATOM 0 H SER A 140 63.526 1.408 16.694 1.00 0.00 H new ATOM 0 HA SER A 140 62.062 2.452 18.027 1.00 0.00 H new ATOM 0 HB2 SER A 140 63.379 0.812 20.242 1.00 0.00 H new ATOM 0 HB3 SER A 140 61.824 1.612 20.360 1.00 0.00 H new ATOM 0 HG SER A 140 61.615 -0.628 19.744 1.00 0.00 H new ATOM 1215 N LYS A 141 64.349 4.093 18.433 1.00 0.00 N ATOM 1216 CA LYS A 141 65.042 5.275 18.938 1.00 0.00 C ATOM 1217 C LYS A 141 64.341 6.550 18.480 1.00 0.00 C ATOM 1218 O LYS A 141 63.876 6.641 17.345 1.00 0.00 O ATOM 1219 CB LYS A 141 66.488 5.283 18.433 1.00 0.00 C ATOM 1220 CG LYS A 141 67.233 4.076 19.007 1.00 0.00 C ATOM 1221 CD LYS A 141 68.635 3.988 18.392 1.00 0.00 C ATOM 1222 CE LYS A 141 69.501 5.145 18.899 1.00 0.00 C ATOM 1223 NZ LYS A 141 69.654 5.040 20.378 1.00 0.00 N ATOM 0 H LYS A 141 64.489 3.912 17.439 1.00 0.00 H new ATOM 0 HA LYS A 141 65.031 5.240 20.027 1.00 0.00 H new ATOM 0 HB2 LYS A 141 66.505 5.250 17.344 1.00 0.00 H new ATOM 0 HB3 LYS A 141 66.984 6.206 18.732 1.00 0.00 H new ATOM 0 HG2 LYS A 141 67.307 4.165 20.091 1.00 0.00 H new ATOM 0 HG3 LYS A 141 66.677 3.162 18.799 1.00 0.00 H new ATOM 0 HD2 LYS A 141 69.097 3.036 18.653 1.00 0.00 H new ATOM 0 HD3 LYS A 141 68.567 4.022 17.305 1.00 0.00 H new ATOM 0 HE2 LYS A 141 70.479 5.119 18.419 1.00 0.00 H new ATOM 0 HE3 LYS A 141 69.043 6.099 18.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 70.521 5.533 20.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 68.833 5.476 20.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 69.715 4.038 20.650 1.00 0.00 H new ATOM 1237 N ALA A 142 64.272 7.533 19.372 1.00 0.00 N ATOM 1238 CA ALA A 142 63.631 8.800 19.048 1.00 0.00 C ATOM 1239 C ALA A 142 64.270 9.941 19.835 1.00 0.00 C ATOM 1240 O ALA A 142 64.616 9.782 21.006 1.00 0.00 O ATOM 1241 CB ALA A 142 62.135 8.723 19.367 1.00 0.00 C ATOM 0 H ALA A 142 64.649 7.477 20.318 1.00 0.00 H new ATOM 0 HA ALA A 142 63.764 8.994 17.984 1.00 0.00 H new ATOM 0 HB1 ALA A 142 61.661 9.674 19.122 1.00 0.00 H new ATOM 0 HB2 ALA A 142 61.678 7.928 18.778 1.00 0.00 H new ATOM 0 HB3 ALA A 142 62.000 8.513 20.428 1.00 0.00 H new ATOM 1247 N ALA A 143 64.418 11.091 19.188 1.00 0.00 N ATOM 1248 CA ALA A 143 65.012 12.252 19.843 1.00 0.00 C ATOM 1249 C ALA A 143 64.156 12.693 21.025 1.00 0.00 C ATOM 1250 O ALA A 143 64.675 13.038 22.088 1.00 0.00 O ATOM 1251 CB ALA A 143 65.139 13.407 18.849 1.00 0.00 C ATOM 0 H ALA A 143 64.138 11.245 18.219 1.00 0.00 H new ATOM 0 HA ALA A 143 66.002 11.974 20.205 1.00 0.00 H new ATOM 0 HB1 ALA A 143 65.583 14.269 19.347 1.00 0.00 H new ATOM 0 HB2 ALA A 143 65.773 13.102 18.016 1.00 0.00 H new ATOM 0 HB3 ALA A 143 64.151 13.674 18.474 1.00 0.00 H new ATOM 1257 N THR A 144 62.842 12.678 20.830 1.00 0.00 N ATOM 1258 CA THR A 144 61.916 13.079 21.882 1.00 0.00 C ATOM 1259 C THR A 144 60.756 12.093 21.980 1.00 0.00 C ATOM 1260 O THR A 144 60.507 11.319 21.055 1.00 0.00 O ATOM 1261 CB THR A 144 61.375 14.481 21.597 1.00 0.00 C ATOM 1262 OG1 THR A 144 60.655 14.469 20.372 1.00 0.00 O ATOM 1263 CG2 THR A 144 62.538 15.469 21.498 1.00 0.00 C ATOM 0 H THR A 144 62.396 12.394 19.958 1.00 0.00 H new ATOM 0 HA THR A 144 62.454 13.084 22.830 1.00 0.00 H new ATOM 0 HB THR A 144 60.711 14.786 22.406 1.00 0.00 H new ATOM 0 HG1 THR A 144 60.306 15.366 20.189 1.00 0.00 H new ATOM 0 HG21 THR A 144 62.151 16.467 21.295 1.00 0.00 H new ATOM 0 HG22 THR A 144 63.089 15.478 22.438 1.00 0.00 H new ATOM 0 HG23 THR A 144 63.204 15.167 20.690 1.00 0.00 H new ATOM 1271 N ASP A 145 60.050 12.132 23.104 1.00 0.00 N ATOM 1272 CA ASP A 145 58.915 11.240 23.314 1.00 0.00 C ATOM 1273 C ASP A 145 57.828 11.505 22.278 1.00 0.00 C ATOM 1274 O ASP A 145 56.798 10.855 22.351 1.00 0.00 O ATOM 1275 CB ASP A 145 58.346 11.442 24.720 1.00 0.00 C ATOM 1276 CG ASP A 145 57.492 10.241 25.117 1.00 0.00 C ATOM 1277 OD1 ASP A 145 57.545 9.243 24.418 1.00 0.00 O ATOM 1278 OD2 ASP A 145 56.800 10.339 26.116 1.00 0.00 O ATOM 1279 OXT ASP A 145 58.040 12.354 21.429 1.00 0.00 O ATOM 0 H ASP A 145 60.241 12.767 23.879 1.00 0.00 H new ATOM 0 HA ASP A 145 59.259 10.211 23.207 1.00 0.00 H new ATOM 0 HB2 ASP A 145 59.159 11.572 25.435 1.00 0.00 H new ATOM 0 HB3 ASP A 145 57.746 12.351 24.751 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.436 8.062 -5.916 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.574 0.624 1.191 1.00 0.00 ZN