USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 973 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 34 HIS : no HE2:sc= -6.29! C(o=-6.8!,f=-6.8!) USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.532 K(o=-6.8,f=-8.3) USER MOD Single : A 3 TYR OH : rot -178:sc= 0.374 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A 17 MET CE :methyl -130:sc= -4.94! (180deg=-10.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.765 K(o=-0.76,f=-1.3) USER MOD Single : A 36 SER OG : rot 63:sc= 1.08 USER MOD Single : A 37 ASN : amide:sc= -3.26 K(o=-3.3,f=-0.5) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 39 ASN : amide:sc= -1.49! C(o=-1.5!,f=-8.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 43 THR OG1 : rot -84:sc= 0.984 USER MOD Single : A 44 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.5!) USER MOD Single : A 50 GLN : amide:sc= -0.0456 K(o=-0.046,f=-3.8!) USER MOD Single : A 51 SER OG : rot 90:sc= 0.409 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.32! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD Single : A 61 SER OG : rot -92:sc= 1.74 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.06! C(o=-3.1!,f=-6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.4!) USER MOD Single : A 80 ASN : amide:sc= -1.01 K(o=-1,f=-8.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.38) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.01) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 118 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.43) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc=-0.00577 X(o=-0.0058,f=-0.24) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -5.140 6.565 10.661 1.00 0.00 N ATOM 24 CA VAL A 2 -4.152 5.897 11.491 1.00 0.00 C ATOM 25 C VAL A 2 -4.371 4.385 11.421 1.00 0.00 C ATOM 26 O VAL A 2 -5.325 3.864 11.998 1.00 0.00 O ATOM 27 CB VAL A 2 -4.213 6.444 12.919 1.00 0.00 C ATOM 28 CG1 VAL A 2 -5.572 6.155 13.560 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.074 5.880 13.771 1.00 0.00 C ATOM 0 HA VAL A 2 -3.146 6.097 11.122 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.090 7.526 12.869 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.588 6.554 14.574 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.359 6.626 12.972 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.738 5.078 13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.140 6.285 14.781 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.152 4.793 13.809 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.117 6.160 13.330 1.00 0.00 H new ATOM 39 N TYR A 3 -3.473 3.721 10.708 1.00 0.00 N ATOM 40 CA TYR A 3 -3.556 2.278 10.555 1.00 0.00 C ATOM 41 C TYR A 3 -2.175 1.632 10.690 1.00 0.00 C ATOM 42 O TYR A 3 -1.217 2.069 10.056 1.00 0.00 O ATOM 43 CB TYR A 3 -4.083 2.034 9.139 1.00 0.00 C ATOM 44 CG TYR A 3 -5.529 2.488 8.927 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.540 1.955 9.702 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.823 3.428 7.961 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.900 2.382 9.503 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.185 3.854 7.762 1.00 0.00 C ATOM 49 CZ TYR A 3 -8.155 3.310 8.542 1.00 0.00 C ATOM 50 OH TYR A 3 -9.441 3.712 8.354 1.00 0.00 O ATOM 0 H TYR A 3 -2.684 4.156 10.230 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.200 1.847 11.321 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.441 2.555 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.010 0.970 8.913 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.310 1.218 10.457 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.033 3.844 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.700 1.975 10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.429 4.589 7.010 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.478 4.355 7.615 1.00 0.00 H new ATOM 60 N GLU A 4 -2.119 0.602 11.522 1.00 0.00 N ATOM 61 CA GLU A 4 -0.872 -0.109 11.748 1.00 0.00 C ATOM 62 C GLU A 4 -1.030 -1.586 11.381 1.00 0.00 C ATOM 63 O GLU A 4 -2.124 -2.032 11.039 1.00 0.00 O ATOM 64 CB GLU A 4 -0.407 0.049 13.198 1.00 0.00 C ATOM 65 CG GLU A 4 -1.453 -0.493 14.172 1.00 0.00 C ATOM 66 CD GLU A 4 -1.147 -0.054 15.605 1.00 0.00 C ATOM 67 OE1 GLU A 4 0.054 0.125 15.900 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.122 0.093 16.374 1.00 0.00 O ATOM 0 H GLU A 4 -2.916 0.243 12.047 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.106 0.325 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.536 -0.479 13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.218 1.101 13.410 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.442 -0.139 13.883 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.476 -1.581 14.118 1.00 0.00 H new ATOM 75 N ARG A 5 0.080 -2.306 11.466 1.00 0.00 N ATOM 76 CA ARG A 5 0.080 -3.723 11.147 1.00 0.00 C ATOM 77 C ARG A 5 -1.265 -4.350 11.521 1.00 0.00 C ATOM 78 O ARG A 5 -1.973 -4.867 10.658 1.00 0.00 O ATOM 79 CB ARG A 5 1.199 -4.455 11.890 1.00 0.00 C ATOM 80 CG ARG A 5 1.394 -3.879 13.294 1.00 0.00 C ATOM 81 CD ARG A 5 1.106 -4.935 14.363 1.00 0.00 C ATOM 82 NE ARG A 5 0.778 -4.278 15.649 1.00 0.00 N ATOM 83 CZ ARG A 5 0.210 -4.903 16.689 1.00 0.00 C ATOM 84 NH1 ARG A 5 -0.097 -6.204 16.602 1.00 0.00 N ATOM 85 NH2 ARG A 5 -0.051 -4.226 17.815 1.00 0.00 N ATOM 0 H ARG A 5 0.986 -1.933 11.751 1.00 0.00 H new ATOM 0 HA ARG A 5 0.246 -3.822 10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.961 -5.516 11.959 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.129 -4.372 11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.415 -3.515 13.403 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.734 -3.023 13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.277 -5.568 14.047 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.973 -5.584 14.488 1.00 0.00 H new ATOM 0 HE ARG A 5 0.998 -3.287 15.749 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.102 -6.719 15.744 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.529 -6.680 17.394 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.183 -3.235 17.880 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.483 -4.701 18.607 1.00 0.00 H new ATOM 99 N CYS A 6 -1.576 -4.283 12.807 1.00 0.00 N ATOM 100 CA CYS A 6 -2.824 -4.839 13.305 1.00 0.00 C ATOM 101 C CYS A 6 -3.968 -4.289 12.451 1.00 0.00 C ATOM 102 O CYS A 6 -4.448 -4.964 11.540 1.00 0.00 O ATOM 103 CB CYS A 6 -3.024 -4.536 14.791 1.00 0.00 C ATOM 104 SG CYS A 6 -3.245 -6.011 15.851 1.00 0.00 S ATOM 0 H CYS A 6 -0.986 -3.853 13.519 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.801 -5.926 13.223 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.164 -3.972 15.152 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.896 -3.892 14.902 1.00 0.00 H new ATOM 109 N GLU A 7 -4.374 -3.070 12.775 1.00 0.00 N ATOM 110 CA GLU A 7 -5.453 -2.422 12.050 1.00 0.00 C ATOM 111 C GLU A 7 -5.427 -2.837 10.578 1.00 0.00 C ATOM 112 O GLU A 7 -6.340 -3.512 10.102 1.00 0.00 O ATOM 113 CB GLU A 7 -5.375 -0.901 12.193 1.00 0.00 C ATOM 114 CG GLU A 7 -6.521 -0.372 13.056 1.00 0.00 C ATOM 115 CD GLU A 7 -6.156 0.973 13.688 1.00 0.00 C ATOM 116 OE1 GLU A 7 -4.961 1.142 14.012 1.00 0.00 O ATOM 117 OE2 GLU A 7 -7.080 1.803 13.833 1.00 0.00 O ATOM 0 H GLU A 7 -3.974 -2.514 13.531 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.400 -2.745 12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.420 -0.623 12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.413 -0.437 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.418 -0.260 12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.755 -1.094 13.838 1.00 0.00 H new ATOM 124 N PHE A 8 -4.371 -2.417 9.896 1.00 0.00 N ATOM 125 CA PHE A 8 -4.214 -2.736 8.488 1.00 0.00 C ATOM 126 C PHE A 8 -4.673 -4.166 8.195 1.00 0.00 C ATOM 127 O PHE A 8 -5.463 -4.392 7.280 1.00 0.00 O ATOM 128 CB PHE A 8 -2.723 -2.616 8.166 1.00 0.00 C ATOM 129 CG PHE A 8 -2.431 -2.008 6.792 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.022 -2.521 5.681 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.578 -0.954 6.683 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.751 -1.957 4.407 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.306 -0.389 5.409 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.898 -0.903 4.298 1.00 0.00 C ATOM 0 H PHE A 8 -3.616 -1.858 10.293 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.817 -2.058 7.884 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.244 -2.005 8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.269 -3.606 8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.698 -3.358 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.107 -0.547 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.222 -2.364 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.629 0.448 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.691 -0.474 3.329 1.00 0.00 H new ATOM 144 N ALA A 9 -4.159 -5.093 8.989 1.00 0.00 N ATOM 145 CA ALA A 9 -4.506 -6.494 8.827 1.00 0.00 C ATOM 146 C ALA A 9 -6.013 -6.668 9.027 1.00 0.00 C ATOM 147 O ALA A 9 -6.703 -7.188 8.151 1.00 0.00 O ATOM 148 CB ALA A 9 -3.687 -7.340 9.804 1.00 0.00 C ATOM 0 H ALA A 9 -3.504 -4.901 9.747 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.265 -6.835 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.948 -8.391 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.625 -7.204 9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.904 -7.028 10.826 1.00 0.00 H new ATOM 154 N ARG A 10 -6.479 -6.224 10.184 1.00 0.00 N ATOM 155 CA ARG A 10 -7.891 -6.324 10.510 1.00 0.00 C ATOM 156 C ARG A 10 -8.743 -5.816 9.344 1.00 0.00 C ATOM 157 O ARG A 10 -9.586 -6.545 8.824 1.00 0.00 O ATOM 158 CB ARG A 10 -8.226 -5.515 11.765 1.00 0.00 C ATOM 159 CG ARG A 10 -9.635 -5.838 12.267 1.00 0.00 C ATOM 160 CD ARG A 10 -10.040 -4.901 13.405 1.00 0.00 C ATOM 161 NE ARG A 10 -9.507 -5.404 14.690 1.00 0.00 N ATOM 162 CZ ARG A 10 -9.993 -5.062 15.891 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.024 -4.212 15.979 1.00 0.00 N ATOM 164 NH2 ARG A 10 -9.445 -5.569 17.005 1.00 0.00 N ATOM 0 H ARG A 10 -5.904 -5.794 10.908 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.113 -7.374 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.499 -5.733 12.547 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.149 -4.450 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.347 -5.748 11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.674 -6.872 12.611 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.661 -3.897 13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.126 -4.827 13.457 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.720 -6.052 14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.439 -3.825 15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.394 -3.952 16.893 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.658 -6.215 16.938 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.815 -5.309 17.919 1.00 0.00 H new ATOM 178 N THR A 11 -8.491 -4.571 8.967 1.00 0.00 N ATOM 179 CA THR A 11 -9.224 -3.959 7.872 1.00 0.00 C ATOM 180 C THR A 11 -9.153 -4.840 6.622 1.00 0.00 C ATOM 181 O THR A 11 -10.179 -5.170 6.032 1.00 0.00 O ATOM 182 CB THR A 11 -8.663 -2.552 7.655 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.170 -1.803 8.756 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.263 -1.864 6.429 1.00 0.00 C ATOM 0 H THR A 11 -7.790 -3.970 9.400 1.00 0.00 H new ATOM 0 HA THR A 11 -10.284 -3.870 8.108 1.00 0.00 H new ATOM 0 HB THR A 11 -7.580 -2.607 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.853 -0.878 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.830 -0.869 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.044 -2.453 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.343 -1.779 6.552 1.00 0.00 H new ATOM 192 N LEU A 12 -7.929 -5.196 6.259 1.00 0.00 N ATOM 193 CA LEU A 12 -7.709 -6.033 5.091 1.00 0.00 C ATOM 194 C LEU A 12 -8.668 -7.225 5.136 1.00 0.00 C ATOM 195 O LEU A 12 -9.404 -7.470 4.181 1.00 0.00 O ATOM 196 CB LEU A 12 -6.236 -6.432 4.987 1.00 0.00 C ATOM 197 CG LEU A 12 -5.511 -5.993 3.712 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.423 -4.468 3.628 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.134 -6.654 3.610 1.00 0.00 C ATOM 0 H LEU A 12 -7.080 -4.920 6.753 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.930 -5.479 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.706 -6.017 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.167 -7.517 5.065 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.094 -6.329 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.903 -4.183 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.428 -4.045 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.875 -4.087 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.640 -6.326 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.529 -6.370 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.251 -7.738 3.590 1.00 0.00 H new ATOM 211 N LYS A 13 -8.627 -7.934 6.253 1.00 0.00 N ATOM 212 CA LYS A 13 -9.482 -9.094 6.435 1.00 0.00 C ATOM 213 C LYS A 13 -10.943 -8.642 6.492 1.00 0.00 C ATOM 214 O LYS A 13 -11.845 -9.399 6.138 1.00 0.00 O ATOM 215 CB LYS A 13 -9.040 -9.900 7.659 1.00 0.00 C ATOM 216 CG LYS A 13 -9.526 -11.347 7.567 1.00 0.00 C ATOM 217 CD LYS A 13 -10.813 -11.546 8.371 1.00 0.00 C ATOM 218 CE LYS A 13 -11.038 -13.026 8.690 1.00 0.00 C ATOM 219 NZ LYS A 13 -11.584 -13.733 7.510 1.00 0.00 N ATOM 0 H LYS A 13 -8.015 -7.728 7.042 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.390 -9.771 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.953 -9.882 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.433 -9.438 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.701 -11.610 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.753 -12.018 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.759 -10.975 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.662 -11.159 7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.098 -13.486 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.726 -13.123 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.731 -14.736 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.492 -13.304 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.914 -13.656 6.718 1.00 0.00 H new ATOM 233 N ARG A 14 -11.130 -7.410 6.940 1.00 0.00 N ATOM 234 CA ARG A 14 -12.466 -6.848 7.047 1.00 0.00 C ATOM 235 C ARG A 14 -12.983 -6.439 5.667 1.00 0.00 C ATOM 236 O ARG A 14 -14.192 -6.386 5.443 1.00 0.00 O ATOM 237 CB ARG A 14 -12.477 -5.626 7.971 1.00 0.00 C ATOM 238 CG ARG A 14 -13.910 -5.182 8.274 1.00 0.00 C ATOM 239 CD ARG A 14 -14.006 -4.560 9.669 1.00 0.00 C ATOM 240 NE ARG A 14 -15.238 -3.746 9.775 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.476 -4.257 9.804 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.655 -5.583 9.734 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.535 -3.441 9.902 1.00 0.00 N ATOM 0 H ARG A 14 -10.379 -6.785 7.233 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.115 -7.615 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.962 -5.864 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.930 -4.807 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.237 -4.460 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.582 -6.037 8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.012 -5.344 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.131 -3.938 9.860 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.138 -2.732 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.849 -6.203 9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.598 -5.972 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.398 -2.432 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.478 -3.829 9.924 1.00 0.00 H new ATOM 257 N ASN A 15 -12.041 -6.160 4.776 1.00 0.00 N ATOM 258 CA ASN A 15 -12.387 -5.758 3.425 1.00 0.00 C ATOM 259 C ASN A 15 -12.512 -7.003 2.543 1.00 0.00 C ATOM 260 O ASN A 15 -13.430 -7.103 1.731 1.00 0.00 O ATOM 261 CB ASN A 15 -11.303 -4.860 2.824 1.00 0.00 C ATOM 262 CG ASN A 15 -11.923 -3.745 1.978 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.050 -2.608 2.401 1.00 0.00 O ATOM 264 ND2 ASN A 15 -12.298 -4.132 0.762 1.00 0.00 N ATOM 0 H ASN A 15 -11.040 -6.205 4.965 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.328 -5.210 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.702 -4.425 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.630 -5.457 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.721 -3.461 0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.163 -5.100 0.471 1.00 0.00 H new ATOM 271 N GLY A 16 -11.574 -7.919 2.733 1.00 0.00 N ATOM 272 CA GLY A 16 -11.568 -9.153 1.965 1.00 0.00 C ATOM 273 C GLY A 16 -10.537 -9.092 0.837 1.00 0.00 C ATOM 274 O GLY A 16 -10.815 -9.510 -0.287 1.00 0.00 O ATOM 0 H GLY A 16 -10.813 -7.832 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.344 -9.993 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.559 -9.330 1.547 1.00 0.00 H new ATOM 278 N MET A 17 -9.369 -8.568 1.174 1.00 0.00 N ATOM 279 CA MET A 17 -8.294 -8.446 0.204 1.00 0.00 C ATOM 280 C MET A 17 -7.137 -9.388 0.544 1.00 0.00 C ATOM 281 O MET A 17 -6.442 -9.872 -0.348 1.00 0.00 O ATOM 282 CB MET A 17 -7.787 -7.002 0.181 1.00 0.00 C ATOM 283 CG MET A 17 -7.637 -6.497 -1.255 1.00 0.00 C ATOM 284 SD MET A 17 -6.111 -7.097 -1.958 1.00 0.00 S ATOM 285 CE MET A 17 -4.996 -5.809 -1.424 1.00 0.00 C ATOM 0 H MET A 17 -9.143 -8.222 2.107 1.00 0.00 H new ATOM 0 HA MET A 17 -8.684 -8.719 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.480 -6.361 0.725 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.827 -6.942 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.481 -6.833 -1.857 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.649 -5.407 -1.269 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.415 -5.455 -2.275 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.569 -4.981 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.322 -6.203 -0.663 1.00 0.00 H new ATOM 295 N ALA A 18 -6.967 -9.620 1.838 1.00 0.00 N ATOM 296 CA ALA A 18 -5.907 -10.496 2.308 1.00 0.00 C ATOM 297 C ALA A 18 -6.203 -11.930 1.867 1.00 0.00 C ATOM 298 O ALA A 18 -7.364 -12.310 1.715 1.00 0.00 O ATOM 299 CB ALA A 18 -5.775 -10.369 3.827 1.00 0.00 C ATOM 0 H ALA A 18 -7.545 -9.217 2.575 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.950 -10.208 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.980 -11.026 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.535 -9.338 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.716 -10.652 4.299 1.00 0.00 H new ATOM 305 N GLY A 19 -5.134 -12.689 1.672 1.00 0.00 N ATOM 306 CA GLY A 19 -5.265 -14.073 1.252 1.00 0.00 C ATOM 307 C GLY A 19 -5.395 -14.174 -0.269 1.00 0.00 C ATOM 308 O GLY A 19 -5.740 -15.229 -0.798 1.00 0.00 O ATOM 0 H GLY A 19 -4.173 -12.371 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.397 -14.642 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.139 -14.519 1.726 1.00 0.00 H new ATOM 312 N TYR A 20 -5.111 -13.061 -0.931 1.00 0.00 N ATOM 313 CA TYR A 20 -5.191 -13.010 -2.380 1.00 0.00 C ATOM 314 C TYR A 20 -4.511 -14.228 -3.010 1.00 0.00 C ATOM 315 O TYR A 20 -3.928 -15.051 -2.306 1.00 0.00 O ATOM 316 CB TYR A 20 -4.440 -11.746 -2.801 1.00 0.00 C ATOM 317 CG TYR A 20 -5.061 -11.022 -3.997 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.192 -10.250 -3.826 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.489 -11.141 -5.248 1.00 0.00 C ATOM 320 CE1 TYR A 20 -6.776 -9.569 -4.952 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.073 -10.459 -6.374 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.188 -9.707 -6.171 1.00 0.00 C ATOM 323 OH TYR A 20 -6.740 -9.063 -7.234 1.00 0.00 O ATOM 0 H TYR A 20 -4.825 -12.187 -0.489 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.231 -13.005 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.401 -11.060 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.411 -12.011 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.639 -10.157 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.604 -11.745 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.661 -8.962 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.635 -10.543 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.214 -9.251 -8.039 1.00 0.00 H new ATOM 333 N TYR A 21 -4.608 -14.303 -4.329 1.00 0.00 N ATOM 334 CA TYR A 21 -4.008 -15.405 -5.062 1.00 0.00 C ATOM 335 C TYR A 21 -2.696 -15.847 -4.411 1.00 0.00 C ATOM 336 O TYR A 21 -2.537 -17.013 -4.054 1.00 0.00 O ATOM 337 CB TYR A 21 -3.713 -14.869 -6.464 1.00 0.00 C ATOM 338 CG TYR A 21 -4.549 -15.520 -7.568 1.00 0.00 C ATOM 339 CD1 TYR A 21 -4.258 -16.802 -7.989 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.594 -14.826 -8.142 1.00 0.00 C ATOM 341 CE1 TYR A 21 -5.046 -17.414 -9.027 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.381 -15.438 -9.181 1.00 0.00 C ATOM 343 CZ TYR A 21 -6.068 -16.702 -9.572 1.00 0.00 C ATOM 344 OH TYR A 21 -6.811 -17.281 -10.554 1.00 0.00 O ATOM 0 H TYR A 21 -5.093 -13.619 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.677 -16.265 -5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.890 -13.793 -6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.657 -15.021 -6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.440 -17.346 -7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.822 -13.823 -7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.830 -18.417 -9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.201 -14.905 -9.639 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.507 -16.657 -10.849 1.00 0.00 H new ATOM 354 N GLY A 22 -1.789 -14.891 -4.276 1.00 0.00 N ATOM 355 CA GLY A 22 -0.494 -15.166 -3.675 1.00 0.00 C ATOM 356 C GLY A 22 -0.284 -14.321 -2.416 1.00 0.00 C ATOM 357 O GLY A 22 -0.211 -14.854 -1.311 1.00 0.00 O ATOM 0 H GLY A 22 -1.925 -13.925 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.423 -16.224 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.297 -14.956 -4.395 1.00 0.00 H new ATOM 361 N VAL A 23 -0.191 -13.016 -2.628 1.00 0.00 N ATOM 362 CA VAL A 23 0.010 -12.092 -1.525 1.00 0.00 C ATOM 363 C VAL A 23 -0.939 -12.455 -0.382 1.00 0.00 C ATOM 364 O VAL A 23 -2.151 -12.275 -0.495 1.00 0.00 O ATOM 365 CB VAL A 23 -0.162 -10.651 -2.012 1.00 0.00 C ATOM 366 CG1 VAL A 23 -1.520 -10.461 -2.690 1.00 0.00 C ATOM 367 CG2 VAL A 23 0.019 -9.659 -0.861 1.00 0.00 C ATOM 0 H VAL A 23 -0.251 -12.577 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 23 1.027 -12.171 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 23 0.613 -10.452 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.617 -9.429 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.596 -11.131 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.316 -10.688 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.108 -8.642 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.724 -9.858 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.018 -9.769 -0.440 1.00 0.00 H new ATOM 377 N SER A 24 -0.353 -12.959 0.694 1.00 0.00 N ATOM 378 CA SER A 24 -1.132 -13.348 1.857 1.00 0.00 C ATOM 379 C SER A 24 -1.242 -12.174 2.832 1.00 0.00 C ATOM 380 O SER A 24 -0.497 -11.201 2.722 1.00 0.00 O ATOM 381 CB SER A 24 -0.510 -14.560 2.555 1.00 0.00 C ATOM 382 OG SER A 24 -0.979 -15.790 2.008 1.00 0.00 O ATOM 0 H SER A 24 0.652 -13.107 0.785 1.00 0.00 H new ATOM 0 HA SER A 24 -2.131 -13.627 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.575 -14.513 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.743 -14.524 3.619 1.00 0.00 H new ATOM 0 HG SER A 24 -0.558 -16.539 2.479 1.00 0.00 H new ATOM 388 N LEU A 25 -2.176 -12.304 3.762 1.00 0.00 N ATOM 389 CA LEU A 25 -2.392 -11.264 4.755 1.00 0.00 C ATOM 390 C LEU A 25 -1.051 -10.875 5.381 1.00 0.00 C ATOM 391 O LEU A 25 -0.766 -9.692 5.560 1.00 0.00 O ATOM 392 CB LEU A 25 -3.442 -11.709 5.775 1.00 0.00 C ATOM 393 CG LEU A 25 -3.562 -10.845 7.032 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.980 -9.417 6.677 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.512 -11.484 8.048 1.00 0.00 C ATOM 0 H LEU A 25 -2.792 -13.113 3.850 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.796 -10.367 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.413 -11.733 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.214 -12.730 6.080 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.580 -10.786 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.058 -8.824 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.234 -8.973 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.946 -9.435 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.579 -10.850 8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.501 -11.593 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.133 -12.465 8.334 1.00 0.00 H new ATOM 407 N ALA A 26 -0.264 -11.894 5.695 1.00 0.00 N ATOM 408 CA ALA A 26 1.040 -11.673 6.298 1.00 0.00 C ATOM 409 C ALA A 26 1.906 -10.851 5.341 1.00 0.00 C ATOM 410 O ALA A 26 2.605 -9.932 5.766 1.00 0.00 O ATOM 411 CB ALA A 26 1.675 -13.021 6.648 1.00 0.00 C ATOM 0 H ALA A 26 -0.504 -12.874 5.543 1.00 0.00 H new ATOM 0 HA ALA A 26 0.944 -11.107 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.653 -12.856 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.035 -13.553 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.790 -13.615 5.742 1.00 0.00 H new ATOM 417 N ASP A 27 1.832 -11.212 4.068 1.00 0.00 N ATOM 418 CA ASP A 27 2.600 -10.519 3.048 1.00 0.00 C ATOM 419 C ASP A 27 2.154 -9.057 2.985 1.00 0.00 C ATOM 420 O ASP A 27 2.981 -8.157 2.838 1.00 0.00 O ATOM 421 CB ASP A 27 2.373 -11.141 1.670 1.00 0.00 C ATOM 422 CG ASP A 27 3.272 -12.335 1.343 1.00 0.00 C ATOM 423 OD1 ASP A 27 4.236 -12.546 2.111 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.975 -13.010 0.334 1.00 0.00 O ATOM 0 H ASP A 27 1.252 -11.975 3.720 1.00 0.00 H new ATOM 0 HA ASP A 27 3.655 -10.597 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.333 -11.458 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.525 -10.373 0.912 1.00 0.00 H new ATOM 429 N TRP A 28 0.849 -8.863 3.101 1.00 0.00 N ATOM 430 CA TRP A 28 0.283 -7.525 3.059 1.00 0.00 C ATOM 431 C TRP A 28 0.794 -6.758 4.281 1.00 0.00 C ATOM 432 O TRP A 28 1.468 -5.739 4.141 1.00 0.00 O ATOM 433 CB TRP A 28 -1.244 -7.578 2.980 1.00 0.00 C ATOM 434 CG TRP A 28 -1.784 -7.914 1.589 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.433 -9.020 1.202 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.696 -7.088 0.409 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.768 -8.968 -0.137 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.305 -7.755 -0.634 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.119 -5.818 0.229 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.397 -7.232 -1.928 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.220 -5.309 -1.071 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.829 -5.968 -2.132 1.00 0.00 C ATOM 0 H TRP A 28 0.166 -9.611 3.224 1.00 0.00 H new ATOM 0 HA TRP A 28 0.602 -6.998 2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.609 -8.321 3.689 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.647 -6.615 3.292 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.665 -9.848 1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.264 -9.687 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.636 -5.278 1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.880 -7.774 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.794 -4.335 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.864 -5.508 -3.109 1.00 0.00 H new ATOM 453 N VAL A 29 0.451 -7.278 5.451 1.00 0.00 N ATOM 454 CA VAL A 29 0.867 -6.654 6.696 1.00 0.00 C ATOM 455 C VAL A 29 2.373 -6.391 6.653 1.00 0.00 C ATOM 456 O VAL A 29 2.811 -5.250 6.786 1.00 0.00 O ATOM 457 CB VAL A 29 0.445 -7.525 7.882 1.00 0.00 C ATOM 458 CG1 VAL A 29 0.980 -6.954 9.197 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.075 -7.685 7.932 1.00 0.00 C ATOM 0 H VAL A 29 -0.109 -8.123 5.563 1.00 0.00 H new ATOM 0 HA VAL A 29 0.374 -5.690 6.824 1.00 0.00 H new ATOM 0 HB VAL A 29 0.881 -8.515 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.667 -7.591 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.069 -6.916 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.586 -5.948 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.347 -8.308 8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.541 -6.705 8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.422 -8.156 7.012 1.00 0.00 H new ATOM 469 N CYS A 30 3.124 -7.467 6.465 1.00 0.00 N ATOM 470 CA CYS A 30 4.572 -7.366 6.403 1.00 0.00 C ATOM 471 C CYS A 30 4.936 -6.291 5.376 1.00 0.00 C ATOM 472 O CYS A 30 5.827 -5.478 5.613 1.00 0.00 O ATOM 473 CB CYS A 30 5.219 -8.713 6.072 1.00 0.00 C ATOM 474 SG CYS A 30 5.442 -9.038 4.285 1.00 0.00 S ATOM 0 H CYS A 30 2.757 -8.412 6.354 1.00 0.00 H new ATOM 0 HA CYS A 30 4.961 -7.080 7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.192 -8.763 6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.608 -9.508 6.498 1.00 0.00 H new ATOM 479 N LEU A 31 4.226 -6.322 4.258 1.00 0.00 N ATOM 480 CA LEU A 31 4.462 -5.362 3.195 1.00 0.00 C ATOM 481 C LEU A 31 4.236 -3.947 3.732 1.00 0.00 C ATOM 482 O LEU A 31 5.143 -3.118 3.708 1.00 0.00 O ATOM 483 CB LEU A 31 3.610 -5.698 1.969 1.00 0.00 C ATOM 484 CG LEU A 31 3.392 -4.559 0.971 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.639 -4.334 0.114 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.147 -4.808 0.117 1.00 0.00 C ATOM 0 H LEU A 31 3.487 -6.998 4.066 1.00 0.00 H new ATOM 0 HA LEU A 31 5.497 -5.414 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.078 -6.531 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.635 -6.045 2.313 1.00 0.00 H new ATOM 0 HG LEU A 31 3.218 -3.642 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.457 -3.519 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.481 -4.078 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.869 -5.244 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.016 -3.983 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.266 -5.739 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.271 -4.879 0.762 1.00 0.00 H new ATOM 498 N ALA A 32 3.019 -3.716 4.204 1.00 0.00 N ATOM 499 CA ALA A 32 2.662 -2.416 4.746 1.00 0.00 C ATOM 500 C ALA A 32 3.584 -2.087 5.922 1.00 0.00 C ATOM 501 O ALA A 32 3.761 -0.921 6.270 1.00 0.00 O ATOM 502 CB ALA A 32 1.185 -2.419 5.147 1.00 0.00 C ATOM 0 H ALA A 32 2.269 -4.407 4.222 1.00 0.00 H new ATOM 0 HA ALA A 32 2.795 -1.637 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.916 -1.444 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.571 -2.629 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.015 -3.187 5.902 1.00 0.00 H new ATOM 508 N GLN A 33 4.149 -3.136 6.501 1.00 0.00 N ATOM 509 CA GLN A 33 5.048 -2.974 7.630 1.00 0.00 C ATOM 510 C GLN A 33 6.378 -2.374 7.168 1.00 0.00 C ATOM 511 O GLN A 33 6.803 -1.337 7.674 1.00 0.00 O ATOM 512 CB GLN A 33 5.269 -4.306 8.351 1.00 0.00 C ATOM 513 CG GLN A 33 5.775 -4.080 9.777 1.00 0.00 C ATOM 514 CD GLN A 33 7.282 -3.812 9.789 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.738 -2.685 9.896 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.027 -4.908 9.671 1.00 0.00 N ATOM 0 H GLN A 33 4.001 -4.102 6.209 1.00 0.00 H new ATOM 0 HA GLN A 33 4.588 -2.286 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.336 -4.869 8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.989 -4.908 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.249 -3.237 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.553 -4.955 10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.581 -5.821 9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.044 -4.835 9.666 1.00 0.00 H new ATOM 525 N HIS A 34 6.995 -3.051 6.211 1.00 0.00 N ATOM 526 CA HIS A 34 8.267 -2.598 5.674 1.00 0.00 C ATOM 527 C HIS A 34 8.095 -1.212 5.049 1.00 0.00 C ATOM 528 O HIS A 34 9.056 -0.452 4.942 1.00 0.00 O ATOM 529 CB HIS A 34 8.841 -3.624 4.695 1.00 0.00 C ATOM 530 CG HIS A 34 10.331 -3.503 4.483 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.060 -2.402 4.896 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.219 -4.356 3.896 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.329 -2.595 4.567 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.426 -3.805 3.947 1.00 0.00 N ATOM 0 H HIS A 34 6.638 -3.910 5.793 1.00 0.00 H new ATOM 0 HA HIS A 34 8.995 -2.507 6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.617 -4.626 5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.338 -3.516 3.734 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.685 -1.582 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.981 -5.316 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.144 -1.913 4.757 1.00 0.00 H new ATOM 543 N GLU A 35 6.864 -0.927 4.650 1.00 0.00 N ATOM 544 CA GLU A 35 6.554 0.353 4.037 1.00 0.00 C ATOM 545 C GLU A 35 6.573 1.464 5.090 1.00 0.00 C ATOM 546 O GLU A 35 7.395 2.376 5.020 1.00 0.00 O ATOM 547 CB GLU A 35 5.206 0.304 3.317 1.00 0.00 C ATOM 548 CG GLU A 35 5.176 -0.827 2.287 1.00 0.00 C ATOM 549 CD GLU A 35 5.285 -0.275 0.864 1.00 0.00 C ATOM 550 OE1 GLU A 35 4.243 0.188 0.353 1.00 0.00 O ATOM 551 OE2 GLU A 35 6.410 -0.330 0.320 1.00 0.00 O ATOM 0 H GLU A 35 6.070 -1.561 4.739 1.00 0.00 H new ATOM 0 HA GLU A 35 7.319 0.572 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.406 0.160 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.019 1.257 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.997 -1.518 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.251 -1.394 2.391 1.00 0.00 H new ATOM 558 N SER A 36 5.657 1.350 6.041 1.00 0.00 N ATOM 559 CA SER A 36 5.559 2.333 7.107 1.00 0.00 C ATOM 560 C SER A 36 4.137 2.350 7.672 1.00 0.00 C ATOM 561 O SER A 36 3.399 3.315 7.477 1.00 0.00 O ATOM 562 CB SER A 36 5.949 3.727 6.608 1.00 0.00 C ATOM 563 OG SER A 36 7.333 3.998 6.809 1.00 0.00 O ATOM 0 H SER A 36 4.976 0.592 6.095 1.00 0.00 H new ATOM 0 HA SER A 36 6.255 2.052 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.713 3.811 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.353 4.478 7.127 1.00 0.00 H new ATOM 0 HG SER A 36 7.869 3.363 6.290 1.00 0.00 H new ATOM 569 N ASN A 37 3.797 1.272 8.363 1.00 0.00 N ATOM 570 CA ASN A 37 2.478 1.152 8.959 1.00 0.00 C ATOM 571 C ASN A 37 2.281 2.271 9.984 1.00 0.00 C ATOM 572 O ASN A 37 3.179 2.559 10.773 1.00 0.00 O ATOM 573 CB ASN A 37 2.321 -0.186 9.684 1.00 0.00 C ATOM 574 CG ASN A 37 3.172 -0.224 10.955 1.00 0.00 C ATOM 575 OD1 ASN A 37 4.335 -0.592 10.944 1.00 0.00 O ATOM 576 ND2 ASN A 37 2.529 0.174 12.049 1.00 0.00 N ATOM 0 H ASN A 37 4.412 0.474 8.523 1.00 0.00 H new ATOM 0 HA ASN A 37 1.740 1.218 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.273 -0.345 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.615 -1.000 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.010 0.183 12.948 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.555 0.470 11.989 1.00 0.00 H new ATOM 583 N TYR A 38 1.101 2.870 9.939 1.00 0.00 N ATOM 584 CA TYR A 38 0.775 3.951 10.855 1.00 0.00 C ATOM 585 C TYR A 38 -0.295 4.868 10.261 1.00 0.00 C ATOM 586 O TYR A 38 -1.370 4.408 9.878 1.00 0.00 O ATOM 587 CB TYR A 38 2.067 4.749 11.042 1.00 0.00 C ATOM 588 CG TYR A 38 2.662 5.283 9.738 1.00 0.00 C ATOM 589 CD1 TYR A 38 1.980 5.119 8.550 1.00 0.00 C ATOM 590 CD2 TYR A 38 3.881 5.929 9.751 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.541 5.622 7.322 1.00 0.00 C ATOM 592 CE2 TYR A 38 4.443 6.433 8.524 1.00 0.00 C ATOM 593 CZ TYR A 38 3.744 6.255 7.370 1.00 0.00 C ATOM 594 OH TYR A 38 4.274 6.729 6.211 1.00 0.00 O ATOM 0 H TYR A 38 0.358 2.628 9.283 1.00 0.00 H new ATOM 0 HA TYR A 38 0.388 3.555 11.794 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.871 5.588 11.710 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.805 4.116 11.534 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.026 4.614 8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.414 6.057 10.681 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.018 5.499 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.397 6.940 8.520 1.00 0.00 H new ATOM 0 HH TYR A 38 5.135 7.158 6.397 1.00 0.00 H new ATOM 604 N ASN A 39 0.035 6.150 10.203 1.00 0.00 N ATOM 605 CA ASN A 39 -0.885 7.137 9.662 1.00 0.00 C ATOM 606 C ASN A 39 -0.604 7.325 8.170 1.00 0.00 C ATOM 607 O ASN A 39 0.552 7.355 7.751 1.00 0.00 O ATOM 608 CB ASN A 39 -0.708 8.490 10.351 1.00 0.00 C ATOM 609 CG ASN A 39 0.040 8.338 11.677 1.00 0.00 C ATOM 610 OD1 ASN A 39 1.020 7.619 11.788 1.00 0.00 O ATOM 611 ND2 ASN A 39 -0.476 9.051 12.675 1.00 0.00 N ATOM 0 H ASN A 39 0.927 6.528 10.522 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.901 6.778 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.159 9.166 9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.684 8.941 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.049 9.016 13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.298 9.633 12.514 1.00 0.00 H new ATOM 618 N THR A 40 -1.682 7.446 7.409 1.00 0.00 N ATOM 619 CA THR A 40 -1.566 7.630 5.972 1.00 0.00 C ATOM 620 C THR A 40 -1.024 9.026 5.655 1.00 0.00 C ATOM 621 O THR A 40 -1.629 9.770 4.886 1.00 0.00 O ATOM 622 CB THR A 40 -2.935 7.354 5.348 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.827 8.186 6.084 1.00 0.00 O ATOM 624 CG2 THR A 40 -3.431 5.933 5.629 1.00 0.00 C ATOM 0 H THR A 40 -2.639 7.420 7.760 1.00 0.00 H new ATOM 0 HA THR A 40 -0.849 6.931 5.540 1.00 0.00 H new ATOM 0 HB THR A 40 -2.881 7.513 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.738 8.071 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.406 5.789 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.724 5.213 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.517 5.784 6.705 1.00 0.00 H new ATOM 632 N ARG A 41 0.109 9.338 6.266 1.00 0.00 N ATOM 633 CA ARG A 41 0.739 10.631 6.059 1.00 0.00 C ATOM 634 C ARG A 41 1.896 10.505 5.065 1.00 0.00 C ATOM 635 O ARG A 41 2.566 11.491 4.758 1.00 0.00 O ATOM 636 CB ARG A 41 1.268 11.204 7.375 1.00 0.00 C ATOM 637 CG ARG A 41 1.825 12.615 7.176 1.00 0.00 C ATOM 638 CD ARG A 41 1.247 13.584 8.210 1.00 0.00 C ATOM 639 NE ARG A 41 1.992 13.468 9.483 1.00 0.00 N ATOM 640 CZ ARG A 41 2.057 14.436 10.406 1.00 0.00 C ATOM 641 NH1 ARG A 41 1.422 15.599 10.204 1.00 0.00 N ATOM 642 NH2 ARG A 41 2.757 14.243 11.533 1.00 0.00 N ATOM 0 H ARG A 41 0.607 8.718 6.905 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.017 11.307 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.467 11.227 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.048 10.554 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.912 12.596 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.587 12.965 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.306 14.606 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.192 13.366 8.375 1.00 0.00 H new ATOM 0 HE ARG A 41 2.487 12.596 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.889 15.747 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.472 16.336 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.241 13.358 11.688 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.806 14.981 12.236 1.00 0.00 H new ATOM 656 N ALA A 42 2.094 9.285 4.588 1.00 0.00 N ATOM 657 CA ALA A 42 3.158 9.018 3.634 1.00 0.00 C ATOM 658 C ALA A 42 3.026 9.977 2.449 1.00 0.00 C ATOM 659 O ALA A 42 2.232 9.741 1.541 1.00 0.00 O ATOM 660 CB ALA A 42 3.103 7.550 3.207 1.00 0.00 C ATOM 0 H ALA A 42 1.536 8.470 4.844 1.00 0.00 H new ATOM 0 HA ALA A 42 4.134 9.189 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.900 7.349 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.230 6.912 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.139 7.342 2.743 1.00 0.00 H new ATOM 666 N THR A 43 3.819 11.037 2.496 1.00 0.00 N ATOM 667 CA THR A 43 3.802 12.031 1.437 1.00 0.00 C ATOM 668 C THR A 43 5.217 12.545 1.164 1.00 0.00 C ATOM 669 O THR A 43 5.864 13.096 2.053 1.00 0.00 O ATOM 670 CB THR A 43 2.823 13.137 1.842 1.00 0.00 C ATOM 671 OG1 THR A 43 3.033 13.288 3.243 1.00 0.00 O ATOM 672 CG2 THR A 43 1.362 12.695 1.729 1.00 0.00 C ATOM 0 H THR A 43 4.477 11.229 3.251 1.00 0.00 H new ATOM 0 HA THR A 43 3.459 11.600 0.497 1.00 0.00 H new ATOM 0 HB THR A 43 2.986 14.015 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.498 12.625 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.710 13.516 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.145 12.416 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.189 11.839 2.381 1.00 0.00 H new ATOM 680 N ASN A 44 5.657 12.344 -0.069 1.00 0.00 N ATOM 681 CA ASN A 44 6.984 12.778 -0.471 1.00 0.00 C ATOM 682 C ASN A 44 6.974 13.118 -1.963 1.00 0.00 C ATOM 683 O ASN A 44 7.096 12.232 -2.807 1.00 0.00 O ATOM 684 CB ASN A 44 8.018 11.673 -0.245 1.00 0.00 C ATOM 685 CG ASN A 44 9.335 12.253 0.274 1.00 0.00 C ATOM 686 OD1 ASN A 44 9.593 13.442 0.197 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.152 11.347 0.804 1.00 0.00 N ATOM 0 H ASN A 44 5.118 11.886 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 44 7.250 13.648 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.630 10.947 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.195 11.139 -1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.057 11.633 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.873 10.366 0.837 1.00 0.00 H new ATOM 694 N TYR A 45 6.828 14.405 -2.243 1.00 0.00 N ATOM 695 CA TYR A 45 6.801 14.874 -3.618 1.00 0.00 C ATOM 696 C TYR A 45 8.214 15.171 -4.124 1.00 0.00 C ATOM 697 O TYR A 45 9.136 15.356 -3.330 1.00 0.00 O ATOM 698 CB TYR A 45 5.994 16.173 -3.604 1.00 0.00 C ATOM 699 CG TYR A 45 6.672 17.321 -2.853 1.00 0.00 C ATOM 700 CD1 TYR A 45 6.446 17.488 -1.502 1.00 0.00 C ATOM 701 CD2 TYR A 45 7.509 18.187 -3.525 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.085 18.567 -0.794 1.00 0.00 C ATOM 703 CE2 TYR A 45 8.148 19.266 -2.817 1.00 0.00 C ATOM 704 CZ TYR A 45 7.904 19.404 -1.486 1.00 0.00 C ATOM 705 OH TYR A 45 8.507 20.423 -0.817 1.00 0.00 O ATOM 0 H TYR A 45 6.727 15.138 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 45 6.367 14.119 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.809 16.485 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.022 15.980 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.790 16.810 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.685 18.056 -4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.918 18.709 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.806 19.950 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 45 9.063 20.938 -1.438 1.00 0.00 H new ATOM 715 N ASN A 46 8.341 15.208 -5.442 1.00 0.00 N ATOM 716 CA ASN A 46 9.627 15.479 -6.063 1.00 0.00 C ATOM 717 C ASN A 46 9.406 15.900 -7.518 1.00 0.00 C ATOM 718 O ASN A 46 9.107 15.065 -8.370 1.00 0.00 O ATOM 719 CB ASN A 46 10.513 14.233 -6.061 1.00 0.00 C ATOM 720 CG ASN A 46 11.003 13.911 -4.647 1.00 0.00 C ATOM 721 OD1 ASN A 46 11.487 14.763 -3.921 1.00 0.00 O ATOM 722 ND2 ASN A 46 10.849 12.636 -4.299 1.00 0.00 N ATOM 0 H ASN A 46 7.575 15.055 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 46 10.117 16.270 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.955 13.385 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.368 14.389 -6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.144 12.320 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.436 11.974 -4.956 1.00 0.00 H new ATOM 729 N ARG A 47 9.563 17.193 -7.756 1.00 0.00 N ATOM 730 CA ARG A 47 9.384 17.735 -9.092 1.00 0.00 C ATOM 731 C ARG A 47 10.578 17.369 -9.977 1.00 0.00 C ATOM 732 O ARG A 47 10.419 17.131 -11.173 1.00 0.00 O ATOM 733 CB ARG A 47 9.234 19.257 -9.055 1.00 0.00 C ATOM 734 CG ARG A 47 8.327 19.747 -10.186 1.00 0.00 C ATOM 735 CD ARG A 47 9.054 20.760 -11.072 1.00 0.00 C ATOM 736 NE ARG A 47 8.205 21.955 -11.276 1.00 0.00 N ATOM 737 CZ ARG A 47 7.980 22.886 -10.339 1.00 0.00 C ATOM 738 NH1 ARG A 47 8.540 22.766 -9.127 1.00 0.00 N ATOM 739 NH2 ARG A 47 7.195 23.937 -10.612 1.00 0.00 N ATOM 0 H ARG A 47 9.812 17.882 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 47 8.473 17.302 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.820 19.562 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.215 19.725 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.001 18.899 -10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.430 20.203 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.998 21.049 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.296 20.307 -12.033 1.00 0.00 H new ATOM 0 HE ARG A 47 7.763 22.078 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.137 21.966 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.369 23.475 -8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.768 24.029 -11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.024 24.645 -9.898 1.00 0.00 H new ATOM 753 N GLY A 48 11.747 17.335 -9.354 1.00 0.00 N ATOM 754 CA GLY A 48 12.967 17.002 -10.070 1.00 0.00 C ATOM 755 C GLY A 48 12.723 15.874 -11.075 1.00 0.00 C ATOM 756 O GLY A 48 13.247 15.905 -12.186 1.00 0.00 O ATOM 0 H GLY A 48 11.875 17.533 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.339 17.884 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.738 16.702 -9.361 1.00 0.00 H new ATOM 760 N ASP A 49 11.927 14.906 -10.647 1.00 0.00 N ATOM 761 CA ASP A 49 11.607 13.770 -11.494 1.00 0.00 C ATOM 762 C ASP A 49 10.094 13.714 -11.715 1.00 0.00 C ATOM 763 O ASP A 49 9.525 12.635 -11.874 1.00 0.00 O ATOM 764 CB ASP A 49 12.038 12.456 -10.841 1.00 0.00 C ATOM 765 CG ASP A 49 12.803 11.498 -11.757 1.00 0.00 C ATOM 766 OD1 ASP A 49 13.248 11.970 -12.826 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.925 10.317 -11.369 1.00 0.00 O ATOM 0 H ASP A 49 11.494 14.885 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 49 12.138 13.894 -12.438 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.662 12.685 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.151 11.946 -10.467 1.00 0.00 H new ATOM 772 N GLN A 50 9.484 14.891 -11.717 1.00 0.00 N ATOM 773 CA GLN A 50 8.049 14.989 -11.915 1.00 0.00 C ATOM 774 C GLN A 50 7.347 13.758 -11.337 1.00 0.00 C ATOM 775 O GLN A 50 6.497 13.158 -11.993 1.00 0.00 O ATOM 776 CB GLN A 50 7.710 15.168 -13.397 1.00 0.00 C ATOM 777 CG GLN A 50 8.131 13.939 -14.207 1.00 0.00 C ATOM 778 CD GLN A 50 7.461 13.934 -15.582 1.00 0.00 C ATOM 779 OE1 GLN A 50 6.539 14.685 -15.856 1.00 0.00 O ATOM 780 NE2 GLN A 50 7.974 13.048 -16.430 1.00 0.00 N ATOM 0 H GLN A 50 9.958 15.784 -11.585 1.00 0.00 H new ATOM 0 HA GLN A 50 7.689 15.871 -11.385 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.639 15.334 -13.511 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.213 16.054 -13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.214 13.931 -14.326 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.863 13.032 -13.665 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.746 12.449 -16.137 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.596 12.967 -17.374 1.00 0.00 H new ATOM 789 N SER A 51 7.728 13.419 -10.115 1.00 0.00 N ATOM 790 CA SER A 51 7.146 12.270 -9.441 1.00 0.00 C ATOM 791 C SER A 51 6.965 12.574 -7.953 1.00 0.00 C ATOM 792 O SER A 51 7.676 13.406 -7.394 1.00 0.00 O ATOM 793 CB SER A 51 8.016 11.025 -9.626 1.00 0.00 C ATOM 794 OG SER A 51 8.165 10.677 -11.000 1.00 0.00 O ATOM 0 H SER A 51 8.433 13.919 -9.573 1.00 0.00 H new ATOM 0 HA SER A 51 6.171 12.069 -9.886 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.998 11.201 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.572 10.189 -9.086 1.00 0.00 H new ATOM 0 HG SER A 51 8.950 11.133 -11.370 1.00 0.00 H new ATOM 800 N THR A 52 6.007 11.882 -7.354 1.00 0.00 N ATOM 801 CA THR A 52 5.721 12.067 -5.940 1.00 0.00 C ATOM 802 C THR A 52 5.377 10.728 -5.286 1.00 0.00 C ATOM 803 O THR A 52 4.564 9.968 -5.811 1.00 0.00 O ATOM 804 CB THR A 52 4.608 13.109 -5.816 1.00 0.00 C ATOM 805 OG1 THR A 52 5.256 14.346 -6.096 1.00 0.00 O ATOM 806 CG2 THR A 52 4.112 13.266 -4.377 1.00 0.00 C ATOM 0 H THR A 52 5.419 11.192 -7.821 1.00 0.00 H new ATOM 0 HA THR A 52 6.595 12.439 -5.404 1.00 0.00 H new ATOM 0 HB THR A 52 3.774 12.827 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.605 15.076 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.323 14.017 -4.344 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.721 12.313 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.938 13.580 -3.739 1.00 0.00 H new ATOM 814 N ASP A 53 6.011 10.480 -4.150 1.00 0.00 N ATOM 815 CA ASP A 53 5.782 9.246 -3.419 1.00 0.00 C ATOM 816 C ASP A 53 4.803 9.511 -2.274 1.00 0.00 C ATOM 817 O ASP A 53 5.203 9.959 -1.201 1.00 0.00 O ATOM 818 CB ASP A 53 7.084 8.713 -2.814 1.00 0.00 C ATOM 819 CG ASP A 53 7.767 7.608 -3.621 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.208 6.490 -3.639 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.834 7.905 -4.200 1.00 0.00 O ATOM 0 H ASP A 53 6.684 11.113 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 53 5.381 8.511 -4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.781 9.543 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.874 8.335 -1.814 1.00 0.00 H new ATOM 826 N TYR A 54 3.538 9.222 -2.542 1.00 0.00 N ATOM 827 CA TYR A 54 2.498 9.424 -1.547 1.00 0.00 C ATOM 828 C TYR A 54 1.705 8.136 -1.313 1.00 0.00 C ATOM 829 O TYR A 54 1.706 7.240 -2.157 1.00 0.00 O ATOM 830 CB TYR A 54 1.562 10.486 -2.125 1.00 0.00 C ATOM 831 CG TYR A 54 1.929 11.919 -1.732 1.00 0.00 C ATOM 832 CD1 TYR A 54 3.215 12.380 -1.929 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.974 12.749 -1.181 1.00 0.00 C ATOM 834 CE1 TYR A 54 3.561 13.728 -1.560 1.00 0.00 C ATOM 835 CE2 TYR A 54 1.321 14.098 -0.812 1.00 0.00 C ATOM 836 CZ TYR A 54 2.596 14.521 -1.020 1.00 0.00 C ATOM 837 OH TYR A 54 2.923 15.794 -0.671 1.00 0.00 O ATOM 0 H TYR A 54 3.210 8.850 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 54 2.933 9.724 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.566 10.406 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.545 10.278 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.962 11.730 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.032 12.388 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.564 14.101 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.584 14.759 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 54 2.136 16.244 -0.300 1.00 0.00 H new ATOM 847 N GLY A 55 1.048 8.083 -0.163 1.00 0.00 N ATOM 848 CA GLY A 55 0.253 6.920 0.192 1.00 0.00 C ATOM 849 C GLY A 55 0.977 6.056 1.225 1.00 0.00 C ATOM 850 O GLY A 55 2.206 6.036 1.272 1.00 0.00 O ATOM 0 H GLY A 55 1.050 8.827 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.709 7.241 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.047 6.330 -0.701 1.00 0.00 H new ATOM 854 N ILE A 56 0.185 5.360 2.028 1.00 0.00 N ATOM 855 CA ILE A 56 0.735 4.497 3.058 1.00 0.00 C ATOM 856 C ILE A 56 1.724 3.518 2.421 1.00 0.00 C ATOM 857 O ILE A 56 2.760 3.207 3.008 1.00 0.00 O ATOM 858 CB ILE A 56 -0.388 3.813 3.840 1.00 0.00 C ATOM 859 CG1 ILE A 56 0.124 3.280 5.181 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.052 2.719 3.004 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.018 3.150 6.191 1.00 0.00 C ATOM 0 H ILE A 56 -0.834 5.377 1.985 1.00 0.00 H new ATOM 0 HA ILE A 56 1.291 5.083 3.790 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.153 4.557 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.597 2.309 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.888 3.950 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.846 2.249 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.474 3.158 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.310 1.969 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.627 2.769 7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.473 4.127 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.769 2.461 5.805 1.00 0.00 H new ATOM 873 N PHE A 57 1.370 3.060 1.230 1.00 0.00 N ATOM 874 CA PHE A 57 2.214 2.123 0.507 1.00 0.00 C ATOM 875 C PHE A 57 3.225 2.861 -0.373 1.00 0.00 C ATOM 876 O PHE A 57 3.717 2.310 -1.357 1.00 0.00 O ATOM 877 CB PHE A 57 1.293 1.288 -0.385 1.00 0.00 C ATOM 878 CG PHE A 57 0.562 0.166 0.354 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.266 -0.739 1.085 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.793 0.073 0.278 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.587 -1.782 1.770 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.472 -0.969 0.964 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.767 -1.874 1.696 1.00 0.00 C ATOM 0 H PHE A 57 0.510 3.320 0.747 1.00 0.00 H new ATOM 0 HA PHE A 57 2.770 1.504 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.556 1.946 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.882 0.854 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.342 -0.665 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.352 0.791 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.146 -2.502 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.548 -1.043 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.284 -2.666 2.218 1.00 0.00 H new ATOM 893 N GLN A 58 3.505 4.098 0.013 1.00 0.00 N ATOM 894 CA GLN A 58 4.448 4.918 -0.729 1.00 0.00 C ATOM 895 C GLN A 58 4.280 4.690 -2.232 1.00 0.00 C ATOM 896 O GLN A 58 5.165 4.134 -2.882 1.00 0.00 O ATOM 897 CB GLN A 58 5.886 4.634 -0.288 1.00 0.00 C ATOM 898 CG GLN A 58 6.774 5.862 -0.494 1.00 0.00 C ATOM 899 CD GLN A 58 7.211 6.453 0.848 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.664 5.760 1.744 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.052 7.771 0.936 1.00 0.00 N ATOM 0 H GLN A 58 3.095 4.552 0.830 1.00 0.00 H new ATOM 0 HA GLN A 58 4.237 5.966 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.898 4.344 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.285 3.793 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.652 5.586 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.233 6.614 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.667 8.292 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.315 8.260 1.791 1.00 0.00 H new ATOM 910 N ILE A 59 3.141 5.133 -2.742 1.00 0.00 N ATOM 911 CA ILE A 59 2.846 4.986 -4.157 1.00 0.00 C ATOM 912 C ILE A 59 3.290 6.247 -4.901 1.00 0.00 C ATOM 913 O ILE A 59 3.093 7.360 -4.415 1.00 0.00 O ATOM 914 CB ILE A 59 1.371 4.637 -4.364 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.078 3.203 -3.917 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.947 4.883 -5.814 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.427 2.936 -3.882 1.00 0.00 C ATOM 0 H ILE A 59 2.410 5.594 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 59 3.409 4.153 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 59 0.773 5.298 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.560 2.501 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.504 3.032 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.106 4.627 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.095 5.934 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.549 4.264 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.607 1.910 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.902 3.624 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.846 3.084 -4.877 1.00 0.00 H new ATOM 929 N ASN A 60 3.881 6.031 -6.067 1.00 0.00 N ATOM 930 CA ASN A 60 4.355 7.137 -6.882 1.00 0.00 C ATOM 931 C ASN A 60 3.173 7.751 -7.636 1.00 0.00 C ATOM 932 O ASN A 60 2.424 7.042 -8.305 1.00 0.00 O ATOM 933 CB ASN A 60 5.380 6.662 -7.914 1.00 0.00 C ATOM 934 CG ASN A 60 6.682 7.456 -7.800 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.690 8.671 -7.684 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.779 6.704 -7.838 1.00 0.00 N ATOM 0 H ASN A 60 4.042 5.107 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 60 4.822 7.867 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.583 5.601 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.969 6.773 -8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.699 7.140 -7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.700 5.692 -7.937 1.00 0.00 H new ATOM 943 N SER A 61 3.046 9.063 -7.503 1.00 0.00 N ATOM 944 CA SER A 61 1.969 9.780 -8.165 1.00 0.00 C ATOM 945 C SER A 61 2.403 10.194 -9.572 1.00 0.00 C ATOM 946 O SER A 61 1.763 11.037 -10.200 1.00 0.00 O ATOM 947 CB SER A 61 1.549 11.010 -7.357 1.00 0.00 C ATOM 948 OG SER A 61 0.718 10.664 -6.251 1.00 0.00 O ATOM 0 H SER A 61 3.670 9.648 -6.947 1.00 0.00 H new ATOM 0 HA SER A 61 1.109 9.114 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.438 11.527 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.018 11.706 -8.006 1.00 0.00 H new ATOM 0 HG SER A 61 -0.223 10.718 -6.519 1.00 0.00 H new ATOM 954 N ARG A 62 3.485 9.580 -10.028 1.00 0.00 N ATOM 955 CA ARG A 62 4.011 9.874 -11.350 1.00 0.00 C ATOM 956 C ARG A 62 3.366 8.958 -12.393 1.00 0.00 C ATOM 957 O ARG A 62 3.516 9.179 -13.594 1.00 0.00 O ATOM 958 CB ARG A 62 5.529 9.693 -11.391 1.00 0.00 C ATOM 959 CG ARG A 62 5.907 8.212 -11.320 1.00 0.00 C ATOM 960 CD ARG A 62 6.629 7.769 -12.594 1.00 0.00 C ATOM 961 NE ARG A 62 8.023 7.385 -12.280 1.00 0.00 N ATOM 962 CZ ARG A 62 8.956 7.123 -13.204 1.00 0.00 C ATOM 963 NH1 ARG A 62 8.651 7.202 -14.506 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.196 6.783 -12.827 1.00 0.00 N ATOM 0 H ARG A 62 4.012 8.880 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 62 3.774 10.913 -11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.926 10.130 -12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.985 10.229 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.547 8.037 -10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.009 7.610 -11.178 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.104 6.927 -13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.622 8.577 -13.325 1.00 0.00 H new ATOM 0 HE ARG A 62 8.290 7.316 -11.298 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.708 7.462 -14.794 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.362 7.002 -15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.429 6.724 -11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.906 6.583 -13.531 1.00 0.00 H new ATOM 978 N TYR A 63 2.664 7.952 -11.896 1.00 0.00 N ATOM 979 CA TYR A 63 1.996 7.002 -12.770 1.00 0.00 C ATOM 980 C TYR A 63 0.614 6.634 -12.225 1.00 0.00 C ATOM 981 O TYR A 63 -0.371 6.648 -12.962 1.00 0.00 O ATOM 982 CB TYR A 63 2.876 5.751 -12.784 1.00 0.00 C ATOM 983 CG TYR A 63 2.950 5.057 -14.145 1.00 0.00 C ATOM 984 CD1 TYR A 63 3.874 5.473 -15.082 1.00 0.00 C ATOM 985 CD2 TYR A 63 2.093 4.015 -14.436 1.00 0.00 C ATOM 986 CE1 TYR A 63 3.943 4.820 -16.363 1.00 0.00 C ATOM 987 CE2 TYR A 63 2.163 3.362 -15.717 1.00 0.00 C ATOM 988 CZ TYR A 63 3.084 3.796 -16.618 1.00 0.00 C ATOM 989 OH TYR A 63 3.150 3.179 -17.828 1.00 0.00 O ATOM 0 H TYR A 63 2.543 7.773 -10.899 1.00 0.00 H new ATOM 0 HA TYR A 63 1.858 7.426 -13.764 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.884 6.025 -12.472 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.496 5.044 -12.047 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.545 6.288 -14.854 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.370 3.690 -13.703 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.661 5.136 -17.105 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.498 2.545 -15.957 1.00 0.00 H new ATOM 0 HH TYR A 63 2.479 2.466 -17.869 1.00 0.00 H new ATOM 999 N TRP A 64 0.586 6.313 -10.941 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.658 5.941 -10.289 1.00 0.00 C ATOM 1001 C TRP A 64 -1.253 7.199 -9.652 1.00 0.00 C ATOM 1002 O TRP A 64 -0.520 8.052 -9.155 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.435 4.810 -9.283 1.00 0.00 C ATOM 1004 CG TRP A 64 0.272 3.586 -9.870 1.00 0.00 C ATOM 1005 CD1 TRP A 64 -0.249 2.624 -10.642 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.661 3.231 -9.697 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.698 1.678 -10.979 1.00 0.00 N ATOM 1008 CE2 TRP A 64 1.896 2.059 -10.387 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.684 3.879 -8.983 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.147 1.433 -10.430 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 3.928 3.241 -9.036 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.182 2.060 -9.725 1.00 0.00 C ATOM 0 H TRP A 64 1.405 6.303 -10.334 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.370 5.548 -11.015 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.153 5.191 -8.448 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.399 4.501 -8.879 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.280 2.592 -10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.546 0.851 -11.557 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.522 4.797 -8.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.306 0.516 -10.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.749 3.698 -8.504 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.172 1.629 -9.716 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.575 7.274 -9.689 1.00 0.00 N ATOM 1024 CA CYS A 65 -3.276 8.413 -9.121 1.00 0.00 C ATOM 1025 C CYS A 65 -2.774 9.681 -9.816 1.00 0.00 C ATOM 1026 O CYS A 65 -1.703 9.679 -10.421 1.00 0.00 O ATOM 1027 CB CYS A 65 -3.101 8.487 -7.603 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.705 9.529 -7.042 1.00 0.00 S ATOM 0 H CYS A 65 -3.179 6.565 -10.103 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.347 8.305 -9.292 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.022 8.870 -7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.960 7.477 -7.218 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.572 10.732 -9.705 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.222 12.004 -10.316 1.00 0.00 C ATOM 1035 C ASN A 66 -3.739 13.145 -9.438 1.00 0.00 C ATOM 1036 O ASN A 66 -4.217 12.913 -8.328 1.00 0.00 O ATOM 1037 CB ASN A 66 -3.861 12.146 -11.699 1.00 0.00 C ATOM 1038 CG ASN A 66 -2.825 11.935 -12.805 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -1.921 11.121 -12.699 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -3.005 12.711 -13.869 1.00 0.00 N ATOM 0 H ASN A 66 -4.459 10.730 -9.202 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.137 12.043 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.667 11.420 -11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.307 13.136 -11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.366 12.646 -14.661 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.782 13.371 -13.893 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.624 14.355 -9.966 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.074 15.533 -9.244 1.00 0.00 C ATOM 1049 C ASP A 67 -4.796 16.473 -10.211 1.00 0.00 C ATOM 1050 O ASP A 67 -5.946 16.843 -9.979 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.892 16.294 -8.640 1.00 0.00 C ATOM 1052 CG ASP A 67 -3.261 17.575 -7.892 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -4.270 18.196 -8.293 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.527 17.906 -6.936 1.00 0.00 O ATOM 0 H ASP A 67 -3.226 14.545 -10.886 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.738 15.205 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.364 15.631 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.195 16.546 -9.439 1.00 0.00 H new ATOM 1059 N GLY A 68 -4.092 16.833 -11.274 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.652 17.723 -12.276 1.00 0.00 C ATOM 1061 C GLY A 68 -3.831 19.008 -12.390 1.00 0.00 C ATOM 1062 O GLY A 68 -4.117 19.861 -13.229 1.00 0.00 O ATOM 0 H GLY A 68 -3.138 16.524 -11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.679 17.218 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.682 17.967 -12.015 1.00 0.00 H new ATOM 1066 N LYS A 69 -2.824 19.106 -11.533 1.00 0.00 N ATOM 1067 CA LYS A 69 -1.958 20.273 -11.527 1.00 0.00 C ATOM 1068 C LYS A 69 -0.761 20.019 -12.444 1.00 0.00 C ATOM 1069 O LYS A 69 -0.101 20.960 -12.884 1.00 0.00 O ATOM 1070 CB LYS A 69 -1.568 20.643 -10.095 1.00 0.00 C ATOM 1071 CG LYS A 69 -2.205 21.970 -9.678 1.00 0.00 C ATOM 1072 CD LYS A 69 -3.479 21.735 -8.865 1.00 0.00 C ATOM 1073 CE LYS A 69 -4.283 23.029 -8.717 1.00 0.00 C ATOM 1074 NZ LYS A 69 -3.604 23.957 -7.785 1.00 0.00 N ATOM 0 H LYS A 69 -2.589 18.397 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.485 21.141 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.884 19.854 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.483 20.716 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.495 22.549 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.439 22.560 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.091 20.976 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.219 21.349 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.401 23.504 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.284 22.802 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.162 24.830 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.513 23.507 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.658 24.187 -8.152 1.00 0.00 H new ATOM 1088 N THR A 70 -0.516 18.744 -12.706 1.00 0.00 N ATOM 1089 CA THR A 70 0.590 18.355 -13.564 1.00 0.00 C ATOM 1090 C THR A 70 0.090 17.481 -14.716 1.00 0.00 C ATOM 1091 O THR A 70 -0.043 16.267 -14.567 1.00 0.00 O ATOM 1092 CB THR A 70 1.644 17.667 -12.693 1.00 0.00 C ATOM 1093 OG1 THR A 70 2.522 17.052 -13.632 1.00 0.00 O ATOM 1094 CG2 THR A 70 1.070 16.494 -11.896 1.00 0.00 C ATOM 0 H THR A 70 -1.065 17.966 -12.339 1.00 0.00 H new ATOM 0 HA THR A 70 1.051 19.224 -14.033 1.00 0.00 H new ATOM 0 HB THR A 70 2.079 18.394 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.237 16.584 -13.153 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.859 16.041 -11.295 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.276 16.853 -11.241 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.665 15.751 -12.583 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.180 18.150 -15.869 1.00 0.00 N ATOM 1103 CA PRO A 71 -0.662 17.448 -17.046 1.00 0.00 C ATOM 1104 C PRO A 71 0.468 16.669 -17.722 1.00 0.00 C ATOM 1105 O PRO A 71 0.763 16.888 -18.897 1.00 0.00 O ATOM 1106 CB PRO A 71 -1.252 18.530 -17.936 1.00 0.00 C ATOM 1107 CG PRO A 71 -0.665 19.842 -17.441 1.00 0.00 C ATOM 1108 CD PRO A 71 -0.033 19.587 -16.082 1.00 0.00 C ATOM 0 HA PRO A 71 -1.412 16.694 -16.807 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.997 18.358 -18.982 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.340 18.539 -17.871 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.079 20.216 -18.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.442 20.603 -17.364 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.016 19.884 -16.071 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.534 20.157 -15.299 1.00 0.00 H new ATOM 1116 N ARG A 72 1.072 15.777 -16.951 1.00 0.00 N ATOM 1117 CA ARG A 72 2.165 14.964 -17.460 1.00 0.00 C ATOM 1118 C ARG A 72 2.023 13.521 -16.975 1.00 0.00 C ATOM 1119 O ARG A 72 2.182 12.582 -17.754 1.00 0.00 O ATOM 1120 CB ARG A 72 3.519 15.517 -17.009 1.00 0.00 C ATOM 1121 CG ARG A 72 4.400 15.856 -18.213 1.00 0.00 C ATOM 1122 CD ARG A 72 4.416 17.364 -18.472 1.00 0.00 C ATOM 1123 NE ARG A 72 5.310 17.672 -19.611 1.00 0.00 N ATOM 1124 CZ ARG A 72 5.561 18.911 -20.056 1.00 0.00 C ATOM 1125 NH1 ARG A 72 4.985 19.965 -19.462 1.00 0.00 N ATOM 1126 NH2 ARG A 72 6.385 19.096 -21.096 1.00 0.00 N ATOM 0 H ARG A 72 0.826 15.599 -15.977 1.00 0.00 H new ATOM 0 HA ARG A 72 2.120 14.990 -18.549 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.368 16.409 -16.402 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.024 14.785 -16.379 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.416 15.503 -18.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.031 15.335 -19.097 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.407 17.715 -18.686 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.755 17.891 -17.580 1.00 0.00 H new ATOM 0 HE ARG A 72 5.763 16.892 -20.087 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.356 19.824 -18.672 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.176 20.908 -19.800 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.822 18.294 -21.550 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.576 20.039 -21.434 1.00 0.00 H new ATOM 1140 N ALA A 73 1.726 13.388 -15.691 1.00 0.00 N ATOM 1141 CA ALA A 73 1.561 12.074 -15.092 1.00 0.00 C ATOM 1142 C ALA A 73 0.551 11.268 -15.911 1.00 0.00 C ATOM 1143 O ALA A 73 -0.030 11.783 -16.866 1.00 0.00 O ATOM 1144 CB ALA A 73 1.138 12.228 -13.630 1.00 0.00 C ATOM 0 H ALA A 73 1.595 14.169 -15.048 1.00 0.00 H new ATOM 0 HA ALA A 73 2.504 11.527 -15.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.014 11.242 -13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.904 12.781 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.194 12.771 -13.580 1.00 0.00 H new ATOM 1150 N VAL A 74 0.372 10.020 -15.507 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.558 9.138 -16.192 1.00 0.00 C ATOM 1152 C VAL A 74 -1.261 8.248 -15.164 1.00 0.00 C ATOM 1153 O VAL A 74 -1.094 7.030 -15.176 1.00 0.00 O ATOM 1154 CB VAL A 74 0.174 8.341 -17.272 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.442 7.694 -16.711 1.00 0.00 C ATOM 1156 CG2 VAL A 74 -0.746 7.289 -17.897 1.00 0.00 C ATOM 0 H VAL A 74 0.855 9.598 -14.714 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.328 9.717 -16.702 1.00 0.00 H new ATOM 0 HB VAL A 74 0.470 9.036 -18.057 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.944 7.133 -17.500 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.110 8.469 -16.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.177 7.018 -15.898 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.200 6.737 -18.662 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.087 6.599 -17.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.607 7.781 -18.350 1.00 0.00 H new ATOM 1166 N ASN A 75 -2.033 8.892 -14.300 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.761 8.173 -13.268 1.00 0.00 C ATOM 1168 C ASN A 75 -3.324 6.878 -13.855 1.00 0.00 C ATOM 1169 O ASN A 75 -4.356 6.892 -14.524 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.934 9.004 -12.743 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.715 9.640 -13.895 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -4.334 9.567 -15.052 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.825 10.266 -13.516 1.00 0.00 N ATOM 0 H ASN A 75 -2.170 9.903 -14.294 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.071 7.965 -12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.598 8.371 -12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.563 9.783 -12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.415 10.723 -14.211 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.086 10.289 -12.530 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.621 5.788 -13.582 1.00 0.00 N ATOM 1181 CA ALA A 76 -3.038 4.487 -14.074 1.00 0.00 C ATOM 1182 C ALA A 76 -4.224 3.989 -13.247 1.00 0.00 C ATOM 1183 O ALA A 76 -4.977 3.124 -13.692 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.851 3.521 -14.033 1.00 0.00 C ATOM 0 H ALA A 76 -1.766 5.780 -13.026 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.366 4.556 -15.111 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.164 2.544 -14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.047 3.906 -14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.496 3.424 -13.007 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.354 4.556 -12.056 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.435 4.180 -11.162 1.00 0.00 C ATOM 1192 C CYS A 77 -6.639 5.075 -11.462 1.00 0.00 C ATOM 1193 O CYS A 77 -7.781 4.687 -11.221 1.00 0.00 O ATOM 1194 CB CYS A 77 -5.012 4.267 -9.694 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.707 2.962 -8.616 1.00 0.00 S ATOM 0 H CYS A 77 -3.728 5.273 -11.690 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.705 3.138 -11.333 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.924 4.221 -9.641 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.310 5.239 -9.302 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.343 6.256 -11.985 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.387 7.209 -12.321 1.00 0.00 C ATOM 1202 C GLY A 78 -8.195 7.597 -11.082 1.00 0.00 C ATOM 1203 O GLY A 78 -9.423 7.636 -11.124 1.00 0.00 O ATOM 0 H GLY A 78 -5.395 6.575 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.942 8.100 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.050 6.778 -13.071 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.472 7.875 -10.006 1.00 0.00 N ATOM 1208 CA ILE A 79 -8.106 8.258 -8.757 1.00 0.00 C ATOM 1209 C ILE A 79 -7.322 9.409 -8.124 1.00 0.00 C ATOM 1210 O ILE A 79 -6.124 9.554 -8.362 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.262 7.044 -7.840 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -7.142 6.996 -6.798 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.344 5.750 -8.652 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -6.792 5.552 -6.433 1.00 0.00 C ATOM 0 H ILE A 79 -6.453 7.842 -9.974 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.117 8.622 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.202 7.145 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.258 7.501 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.450 7.536 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.455 4.902 -7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.203 5.794 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.433 5.630 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.994 5.548 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.672 5.057 -6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.461 5.021 -7.326 1.00 0.00 H new ATOM 1226 N ASN A 80 -8.030 10.201 -7.330 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.415 11.334 -6.662 1.00 0.00 C ATOM 1228 C ASN A 80 -6.447 10.827 -5.592 1.00 0.00 C ATOM 1229 O ASN A 80 -6.855 10.139 -4.657 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.468 12.205 -5.973 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.394 11.356 -5.100 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -9.829 10.280 -5.475 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.671 11.899 -3.918 1.00 0.00 N ATOM 0 H ASN A 80 -9.024 10.079 -7.135 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.893 11.926 -7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.976 12.961 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.054 12.735 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.281 11.410 -3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.273 12.804 -3.667 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.183 11.185 -5.765 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.154 10.773 -4.825 1.00 0.00 C ATOM 1242 C CYS A 81 -4.667 11.031 -3.407 1.00 0.00 C ATOM 1243 O CYS A 81 -4.275 10.342 -2.466 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.827 11.489 -5.091 1.00 0.00 C ATOM 1245 SG CYS A 81 -2.255 11.424 -6.828 1.00 0.00 S ATOM 0 H CYS A 81 -4.848 11.755 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.950 9.709 -4.948 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.928 12.533 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.059 11.050 -4.454 1.00 0.00 H new ATOM 1250 N SER A 82 -5.536 12.026 -3.298 1.00 0.00 N ATOM 1251 CA SER A 82 -6.107 12.383 -2.011 1.00 0.00 C ATOM 1252 C SER A 82 -6.804 11.170 -1.393 1.00 0.00 C ATOM 1253 O SER A 82 -6.752 10.970 -0.180 1.00 0.00 O ATOM 1254 CB SER A 82 -7.090 13.547 -2.149 1.00 0.00 C ATOM 1255 OG SER A 82 -6.842 14.571 -1.189 1.00 0.00 O ATOM 0 H SER A 82 -5.858 12.596 -4.080 1.00 0.00 H new ATOM 0 HA SER A 82 -5.298 12.702 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.018 13.966 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.109 13.178 -2.030 1.00 0.00 H new ATOM 0 HG SER A 82 -7.489 15.297 -1.311 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.442 10.390 -2.255 1.00 0.00 N ATOM 1262 CA ALA A 83 -8.149 9.202 -1.809 1.00 0.00 C ATOM 1263 C ALA A 83 -7.172 8.276 -1.082 1.00 0.00 C ATOM 1264 O ALA A 83 -7.586 7.421 -0.300 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.814 8.524 -3.007 1.00 0.00 C ATOM 0 H ALA A 83 -7.483 10.558 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.938 9.466 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.344 7.633 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.520 9.214 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.053 8.242 -3.734 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.893 8.476 -1.366 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.854 7.670 -0.749 1.00 0.00 C ATOM 1273 C LEU A 84 -4.327 8.388 0.494 1.00 0.00 C ATOM 1274 O LEU A 84 -3.357 7.945 1.107 1.00 0.00 O ATOM 1275 CB LEU A 84 -3.767 7.326 -1.769 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.233 6.583 -3.022 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.671 7.234 -4.288 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.881 5.095 -2.939 1.00 0.00 C ATOM 0 H LEU A 84 -5.553 9.185 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.260 6.715 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.282 8.252 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.009 6.720 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.319 6.656 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.018 6.686 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.012 8.267 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.582 7.213 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.223 4.589 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.801 4.981 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.368 4.654 -2.069 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.988 9.486 0.829 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.599 10.270 1.989 1.00 0.00 C ATOM 1292 C LEU A 85 -5.851 10.681 2.766 1.00 0.00 C ATOM 1293 O LEU A 85 -5.903 11.771 3.333 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.721 11.450 1.567 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.380 11.582 2.291 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.223 11.160 1.384 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.190 12.996 2.842 1.00 0.00 C ATOM 0 H LEU A 85 -5.791 9.852 0.317 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.987 9.673 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.527 11.369 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.286 12.370 1.719 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.385 10.903 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.281 11.264 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.357 10.121 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.205 11.795 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.229 13.062 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.215 13.713 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.990 13.223 3.546 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.830 9.789 2.765 1.00 0.00 N ATOM 1310 CA GLN A 86 -8.077 10.045 3.463 1.00 0.00 C ATOM 1311 C GLN A 86 -8.232 9.087 4.645 1.00 0.00 C ATOM 1312 O GLN A 86 -7.245 8.554 5.150 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.270 9.936 2.510 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.521 8.481 2.110 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.907 8.316 1.481 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.902 8.828 1.968 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.915 7.576 0.377 1.00 0.00 N ATOM 0 H GLN A 86 -6.784 8.887 2.291 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.052 11.064 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.160 10.344 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.084 10.535 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.756 8.157 1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.437 7.839 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.045 7.177 0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.791 7.407 -0.117 1.00 0.00 H new ATOM 1326 N ASP A 87 -9.478 8.898 5.054 1.00 0.00 N ATOM 1327 CA ASP A 87 -9.773 8.014 6.169 1.00 0.00 C ATOM 1328 C ASP A 87 -9.942 6.585 5.650 1.00 0.00 C ATOM 1329 O ASP A 87 -9.217 5.681 6.062 1.00 0.00 O ATOM 1330 CB ASP A 87 -11.074 8.421 6.865 1.00 0.00 C ATOM 1331 CG ASP A 87 -11.832 9.571 6.197 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -11.502 10.732 6.522 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -12.724 9.262 5.379 1.00 0.00 O ATOM 0 H ASP A 87 -10.295 9.342 4.634 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.948 8.079 6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.730 7.552 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.846 8.704 7.892 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.903 6.425 4.752 1.00 0.00 N ATOM 1339 CA ASP A 88 -11.177 5.121 4.172 1.00 0.00 C ATOM 1340 C ASP A 88 -10.046 4.748 3.212 1.00 0.00 C ATOM 1341 O ASP A 88 -9.812 5.442 2.223 1.00 0.00 O ATOM 1342 CB ASP A 88 -12.486 5.135 3.379 1.00 0.00 C ATOM 1343 CG ASP A 88 -13.741 5.410 4.209 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.658 5.229 5.443 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -14.756 5.798 3.590 1.00 0.00 O ATOM 0 H ASP A 88 -11.502 7.177 4.412 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.256 4.399 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.412 5.892 2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.602 4.173 2.881 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.374 3.653 3.537 1.00 0.00 N ATOM 1351 CA ILE A 89 -8.274 3.179 2.715 1.00 0.00 C ATOM 1352 C ILE A 89 -8.832 2.399 1.523 1.00 0.00 C ATOM 1353 O ILE A 89 -8.072 1.876 0.709 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.279 2.381 3.561 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.902 1.073 4.052 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.737 3.228 4.715 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.821 0.057 4.424 1.00 0.00 C ATOM 0 H ILE A 89 -9.570 3.081 4.358 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.711 4.020 2.310 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.430 2.116 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.535 1.270 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.544 0.658 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.032 2.637 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.230 4.106 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.562 3.545 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.291 -0.864 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.205 -0.156 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.195 0.465 5.218 1.00 0.00 H new ATOM 1369 N THR A 90 -10.153 2.346 1.459 1.00 0.00 N ATOM 1370 CA THR A 90 -10.821 1.639 0.379 1.00 0.00 C ATOM 1371 C THR A 90 -10.112 1.902 -0.951 1.00 0.00 C ATOM 1372 O THR A 90 -10.012 1.010 -1.791 1.00 0.00 O ATOM 1373 CB THR A 90 -12.292 2.060 0.377 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.861 1.332 -0.708 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.481 3.526 -0.019 1.00 0.00 C ATOM 0 H THR A 90 -10.779 2.781 2.137 1.00 0.00 H new ATOM 0 HA THR A 90 -10.777 0.560 0.526 1.00 0.00 H new ATOM 0 HB THR A 90 -12.718 1.893 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.815 1.545 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.543 3.773 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.950 4.165 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.085 3.686 -1.022 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.638 3.130 -1.100 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.941 3.522 -2.313 1.00 0.00 C ATOM 1385 C ALA A 91 -7.541 2.908 -2.311 1.00 0.00 C ATOM 1386 O ALA A 91 -7.084 2.390 -3.329 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.910 5.048 -2.413 1.00 0.00 C ATOM 0 H ALA A 91 -9.723 3.867 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.463 3.149 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.387 5.342 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.930 5.432 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.391 5.459 -1.547 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.896 2.987 -1.155 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.555 2.445 -1.008 1.00 0.00 C ATOM 1395 C ALA A 92 -5.581 0.944 -1.302 1.00 0.00 C ATOM 1396 O ALA A 92 -4.650 0.411 -1.905 1.00 0.00 O ATOM 1397 CB ALA A 92 -5.032 2.755 0.395 1.00 0.00 C ATOM 0 H ALA A 92 -7.277 3.418 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.873 2.908 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.027 2.349 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.006 3.835 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.690 2.303 1.137 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.655 0.306 -0.864 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.814 -1.123 -1.072 1.00 0.00 C ATOM 1405 C ILE A 93 -7.152 -1.386 -2.542 1.00 0.00 C ATOM 1406 O ILE A 93 -6.499 -2.195 -3.198 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.841 -1.697 -0.095 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.547 -1.244 1.337 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.915 -3.222 -0.208 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.433 -1.985 2.340 1.00 0.00 C ATOM 0 H ILE A 93 -7.425 0.752 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.880 -1.644 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.822 -1.306 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.498 -1.424 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.713 -0.170 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.653 -3.604 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.206 -3.498 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.939 -3.651 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.203 -1.644 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.481 -1.783 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.247 -3.057 2.268 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.172 -0.684 -3.016 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.604 -0.831 -4.395 1.00 0.00 C ATOM 1424 C GLN A 94 -7.446 -0.532 -5.349 1.00 0.00 C ATOM 1425 O GLN A 94 -7.213 -1.277 -6.299 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.805 0.069 -4.692 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.569 -0.423 -5.922 1.00 0.00 C ATOM 1428 CD GLN A 94 -10.937 0.744 -6.843 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.415 1.780 -6.413 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -10.685 0.518 -8.129 1.00 0.00 N ATOM 0 H GLN A 94 -8.711 -0.012 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.918 -1.863 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.471 0.088 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.466 1.092 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.961 -1.144 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.474 -0.943 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.284 -0.373 -8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.893 1.236 -8.823 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.752 0.559 -5.062 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.623 0.965 -5.883 1.00 0.00 C ATOM 1441 C CYS A 95 -4.498 -0.052 -5.689 1.00 0.00 C ATOM 1442 O CYS A 95 -3.882 -0.493 -6.658 1.00 0.00 O ATOM 1443 CB CYS A 95 -5.169 2.389 -5.555 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.414 3.295 -6.954 1.00 0.00 S ATOM 0 H CYS A 95 -6.949 1.175 -4.273 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.919 0.981 -6.932 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.028 2.955 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.450 2.347 -4.737 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.263 -0.395 -4.431 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.222 -1.352 -4.098 1.00 0.00 C ATOM 1451 C ALA A 96 -3.373 -2.591 -4.982 1.00 0.00 C ATOM 1452 O ALA A 96 -2.412 -3.028 -5.614 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.294 -1.687 -2.607 1.00 0.00 C ATOM 0 H ALA A 96 -4.776 -0.027 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.236 -0.929 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.513 -2.405 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.152 -0.778 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.269 -2.117 -2.377 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.586 -3.123 -4.999 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.875 -4.304 -5.795 1.00 0.00 C ATOM 1461 C LYS A 97 -4.835 -3.934 -7.279 1.00 0.00 C ATOM 1462 O LYS A 97 -4.327 -4.697 -8.099 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.196 -4.937 -5.354 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.374 -4.004 -5.637 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.686 -4.787 -5.724 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.822 -4.030 -5.035 1.00 0.00 C ATOM 1467 NZ LYS A 97 -11.026 -4.884 -4.932 1.00 0.00 N ATOM 0 H LYS A 97 -5.381 -2.758 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.114 -5.068 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.343 -5.882 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.156 -5.165 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.446 -3.254 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.203 -3.470 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.941 -4.961 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.562 -5.765 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.506 -3.715 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.057 -3.126 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.788 -4.355 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.336 -5.164 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.802 -5.735 -4.377 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.380 -2.764 -7.580 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.413 -2.284 -8.951 1.00 0.00 C ATOM 1483 C ARG A 98 -3.991 -2.083 -9.478 1.00 0.00 C ATOM 1484 O ARG A 98 -3.768 -2.083 -10.688 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.180 -0.964 -9.053 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.389 -0.564 -10.516 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.728 0.151 -10.702 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.711 0.941 -11.953 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.691 1.773 -12.331 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -9.772 1.929 -11.556 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.589 2.449 -13.484 1.00 0.00 N ATOM 0 H ARG A 98 -5.802 -2.134 -6.898 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.923 -3.035 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.146 -1.061 -8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.632 -0.179 -8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.577 0.088 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.356 -1.452 -11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.538 -0.578 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.921 0.805 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.902 0.846 -12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.849 1.415 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.518 2.562 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.765 2.330 -14.074 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.335 3.082 -13.772 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.067 -1.916 -8.544 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.672 -1.714 -8.899 1.00 0.00 C ATOM 1507 C VAL A 99 -0.977 -3.072 -9.011 1.00 0.00 C ATOM 1508 O VAL A 99 -0.423 -3.404 -10.058 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.004 -0.783 -7.886 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.520 -0.870 -7.983 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.482 0.659 -8.066 1.00 0.00 C ATOM 0 H VAL A 99 -3.256 -1.916 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.592 -1.227 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.296 -1.111 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.970 -0.198 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.840 -1.892 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.838 -0.581 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.991 1.299 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.234 1.002 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.562 0.705 -7.923 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.029 -3.821 -7.920 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.412 -5.135 -7.884 1.00 0.00 C ATOM 1523 C VAL A 100 -1.024 -6.012 -8.978 1.00 0.00 C ATOM 1524 O VAL A 100 -0.394 -6.960 -9.443 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.552 -5.740 -6.485 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -0.081 -7.196 -6.468 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.206 -4.908 -5.450 1.00 0.00 C ATOM 0 H VAL A 100 -1.489 -3.542 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 100 0.656 -5.061 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.609 -5.726 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.191 -7.602 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.683 -7.781 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.966 -7.243 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.090 -5.360 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.263 -4.876 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.195 -3.894 -5.434 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.245 -5.663 -9.358 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.949 -6.407 -10.388 1.00 0.00 C ATOM 1539 C ARG A 101 -2.166 -6.363 -11.703 1.00 0.00 C ATOM 1540 O ARG A 101 -2.457 -7.121 -12.628 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.350 -5.838 -10.618 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.402 -6.645 -9.855 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.800 -6.056 -10.059 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.266 -6.325 -11.437 1.00 0.00 N ATOM 1545 CZ ARG A 101 -6.996 -5.538 -12.488 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -6.262 -4.429 -12.324 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -7.461 -5.861 -13.703 1.00 0.00 N ATOM 0 H ARG A 101 -2.764 -4.875 -8.971 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.040 -7.439 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.381 -4.797 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.580 -5.849 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.387 -7.681 -10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.159 -6.654 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.495 -6.490 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.781 -4.982 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.828 -7.161 -11.597 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.909 -4.183 -11.399 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.057 -3.830 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.020 -6.705 -13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.256 -5.263 -14.503 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.189 -5.469 -11.742 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.363 -5.317 -12.929 1.00 0.00 C ATOM 1563 C ASP A 102 0.371 -6.630 -13.205 1.00 0.00 C ATOM 1564 O ASP A 102 0.362 -7.537 -12.375 1.00 0.00 O ATOM 1565 CB ASP A 102 0.686 -4.221 -12.731 1.00 0.00 C ATOM 1566 CG ASP A 102 0.369 -2.890 -13.418 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.838 -2.592 -13.546 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.341 -2.203 -13.799 1.00 0.00 O ATOM 0 H ASP A 102 -0.951 -4.843 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.013 -5.049 -13.762 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.805 -4.042 -11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.644 -4.585 -13.102 1.00 0.00 H new ATOM 1573 N PRO A 103 1.006 -6.691 -14.406 1.00 0.00 N ATOM 1574 CA PRO A 103 1.745 -7.879 -14.803 1.00 0.00 C ATOM 1575 C PRO A 103 3.076 -7.971 -14.055 1.00 0.00 C ATOM 1576 O PRO A 103 4.122 -8.185 -14.667 1.00 0.00 O ATOM 1577 CB PRO A 103 1.916 -7.751 -16.307 1.00 0.00 C ATOM 1578 CG PRO A 103 1.679 -6.284 -16.631 1.00 0.00 C ATOM 1579 CD PRO A 103 1.038 -5.636 -15.415 1.00 0.00 C ATOM 0 HA PRO A 103 1.224 -8.803 -14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.914 -8.062 -16.614 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.207 -8.387 -16.836 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.620 -5.790 -16.875 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.031 -6.185 -17.502 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.616 -4.778 -15.072 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.035 -5.274 -15.642 1.00 0.00 H new ATOM 1587 N GLN A 104 2.994 -7.807 -12.742 1.00 0.00 N ATOM 1588 CA GLN A 104 4.180 -7.870 -11.905 1.00 0.00 C ATOM 1589 C GLN A 104 3.870 -8.607 -10.601 1.00 0.00 C ATOM 1590 O GLN A 104 4.074 -9.817 -10.504 1.00 0.00 O ATOM 1591 CB GLN A 104 4.729 -6.469 -11.626 1.00 0.00 C ATOM 1592 CG GLN A 104 3.760 -5.392 -12.118 1.00 0.00 C ATOM 1593 CD GLN A 104 4.327 -3.992 -11.876 1.00 0.00 C ATOM 1594 OE1 GLN A 104 5.340 -3.600 -12.432 1.00 0.00 O ATOM 1595 NE2 GLN A 104 3.620 -3.262 -11.019 1.00 0.00 N ATOM 0 H GLN A 104 2.125 -7.631 -12.238 1.00 0.00 H new ATOM 0 HA GLN A 104 4.950 -8.426 -12.440 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.900 -6.348 -10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.694 -6.348 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.566 -5.531 -13.182 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.805 -5.495 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.781 -3.651 -10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.916 -2.313 -10.792 1.00 0.00 H new ATOM 1604 N GLY A 105 3.382 -7.849 -9.631 1.00 0.00 N ATOM 1605 CA GLY A 105 3.042 -8.415 -8.337 1.00 0.00 C ATOM 1606 C GLY A 105 3.722 -7.642 -7.204 1.00 0.00 C ATOM 1607 O GLY A 105 4.609 -6.827 -7.449 1.00 0.00 O ATOM 0 H GLY A 105 3.214 -6.847 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.961 -8.393 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.347 -9.461 -8.302 1.00 0.00 H new ATOM 1611 N ILE A 106 3.278 -7.927 -5.988 1.00 0.00 N ATOM 1612 CA ILE A 106 3.832 -7.269 -4.817 1.00 0.00 C ATOM 1613 C ILE A 106 5.347 -7.131 -4.984 1.00 0.00 C ATOM 1614 O ILE A 106 5.951 -6.202 -4.452 1.00 0.00 O ATOM 1615 CB ILE A 106 3.417 -8.006 -3.542 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.931 -7.793 -3.244 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.302 -7.599 -2.361 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.722 -6.576 -2.340 1.00 0.00 C ATOM 0 H ILE A 106 2.542 -8.604 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 106 3.429 -6.261 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 106 3.563 -9.074 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.385 -7.655 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.522 -8.682 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.986 -8.137 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.341 -7.843 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.210 -6.526 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.658 -6.447 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.249 -6.728 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.110 -5.685 -2.834 1.00 0.00 H new ATOM 1630 N ARG A 107 5.917 -8.072 -5.723 1.00 0.00 N ATOM 1631 CA ARG A 107 7.348 -8.067 -5.966 1.00 0.00 C ATOM 1632 C ARG A 107 7.869 -6.630 -6.052 1.00 0.00 C ATOM 1633 O ARG A 107 8.973 -6.338 -5.597 1.00 0.00 O ATOM 1634 CB ARG A 107 7.690 -8.804 -7.263 1.00 0.00 C ATOM 1635 CG ARG A 107 9.165 -9.209 -7.291 1.00 0.00 C ATOM 1636 CD ARG A 107 9.974 -8.275 -8.192 1.00 0.00 C ATOM 1637 NE ARG A 107 11.408 -8.630 -8.132 1.00 0.00 N ATOM 1638 CZ ARG A 107 12.343 -8.124 -8.949 1.00 0.00 C ATOM 1639 NH1 ARG A 107 11.998 -7.239 -9.894 1.00 0.00 N ATOM 1640 NH2 ARG A 107 13.621 -8.504 -8.822 1.00 0.00 N ATOM 0 H ARG A 107 5.413 -8.843 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 107 7.826 -8.581 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.064 -9.691 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.468 -8.165 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.571 -9.186 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.257 -10.235 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.616 -8.347 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.834 -7.241 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 107 11.705 -9.302 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.025 -6.951 -9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.709 -6.854 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.883 -9.179 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.332 -8.119 -9.444 1.00 0.00 H new ATOM 1654 N ALA A 108 7.047 -5.772 -6.640 1.00 0.00 N ATOM 1655 CA ALA A 108 7.410 -4.374 -6.792 1.00 0.00 C ATOM 1656 C ALA A 108 8.108 -3.891 -5.519 1.00 0.00 C ATOM 1657 O ALA A 108 9.047 -3.100 -5.584 1.00 0.00 O ATOM 1658 CB ALA A 108 6.160 -3.554 -7.117 1.00 0.00 C ATOM 0 H ALA A 108 6.132 -6.019 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 108 8.108 -4.247 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.433 -2.505 -7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.718 -3.917 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.438 -3.655 -6.307 1.00 0.00 H new ATOM 1664 N TRP A 109 7.623 -4.389 -4.391 1.00 0.00 N ATOM 1665 CA TRP A 109 8.189 -4.019 -3.105 1.00 0.00 C ATOM 1666 C TRP A 109 9.198 -5.097 -2.704 1.00 0.00 C ATOM 1667 O TRP A 109 8.994 -5.808 -1.722 1.00 0.00 O ATOM 1668 CB TRP A 109 7.089 -3.813 -2.061 1.00 0.00 C ATOM 1669 CG TRP A 109 6.142 -2.654 -2.378 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.321 -1.349 -2.128 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.850 -2.748 -3.016 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.245 -0.600 -2.557 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.322 -1.478 -3.115 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.153 -3.871 -3.495 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.074 -1.209 -3.688 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.906 -3.586 -4.065 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.360 -2.312 -4.172 1.00 0.00 C ATOM 0 H TRP A 109 6.844 -5.046 -4.341 1.00 0.00 H new ATOM 0 HA TRP A 109 8.709 -3.064 -3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.508 -4.731 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.552 -3.636 -1.090 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.197 -0.936 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.145 0.412 -2.479 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.548 -4.874 -3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.683 -0.205 -3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.328 -4.414 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.390 -2.174 -4.626 1.00 0.00 H new ATOM 1688 N VAL A 110 10.264 -5.185 -3.485 1.00 0.00 N ATOM 1689 CA VAL A 110 11.305 -6.164 -3.224 1.00 0.00 C ATOM 1690 C VAL A 110 11.550 -6.251 -1.717 1.00 0.00 C ATOM 1691 O VAL A 110 11.929 -7.305 -1.206 1.00 0.00 O ATOM 1692 CB VAL A 110 12.567 -5.810 -4.015 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.731 -6.724 -3.628 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.303 -5.867 -5.521 1.00 0.00 C ATOM 0 H VAL A 110 10.429 -4.594 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 110 10.993 -7.152 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 110 12.846 -4.787 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.615 -6.451 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.943 -6.613 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.466 -7.760 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.215 -5.611 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.988 -6.873 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.518 -5.157 -5.780 1.00 0.00 H new ATOM 1704 N ALA A 111 11.325 -5.131 -1.047 1.00 0.00 N ATOM 1705 CA ALA A 111 11.516 -5.068 0.393 1.00 0.00 C ATOM 1706 C ALA A 111 10.888 -6.303 1.041 1.00 0.00 C ATOM 1707 O ALA A 111 11.525 -6.976 1.850 1.00 0.00 O ATOM 1708 CB ALA A 111 10.925 -3.763 0.930 1.00 0.00 C ATOM 0 H ALA A 111 11.012 -4.259 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 111 12.578 -5.071 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.068 -3.716 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.426 -2.916 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.859 -3.726 0.703 1.00 0.00 H new ATOM 1714 N TRP A 112 9.645 -6.564 0.661 1.00 0.00 N ATOM 1715 CA TRP A 112 8.924 -7.706 1.195 1.00 0.00 C ATOM 1716 C TRP A 112 9.737 -8.966 0.888 1.00 0.00 C ATOM 1717 O TRP A 112 9.819 -9.873 1.714 1.00 0.00 O ATOM 1718 CB TRP A 112 7.500 -7.765 0.640 1.00 0.00 C ATOM 1719 CG TRP A 112 7.058 -9.162 0.202 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.278 -10.027 0.866 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.404 -9.826 -1.031 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.097 -11.195 0.154 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.804 -11.069 -1.036 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.199 -9.392 -2.107 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.934 -11.979 -2.092 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.319 -10.313 -3.154 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.722 -11.567 -3.174 1.00 0.00 C ATOM 0 H TRP A 112 9.120 -6.004 -0.010 1.00 0.00 H new ATOM 0 HA TRP A 112 8.812 -7.618 2.276 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.810 -7.399 1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.425 -7.088 -0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.846 -9.834 1.837 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.546 -12.002 0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.679 -8.425 -2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.453 -12.946 -2.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.918 -10.029 -4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.865 -12.222 -4.021 1.00 0.00 H new ATOM 1738 N ARG A 113 10.317 -8.980 -0.304 1.00 0.00 N ATOM 1739 CA ARG A 113 11.121 -10.113 -0.731 1.00 0.00 C ATOM 1740 C ARG A 113 12.321 -10.293 0.200 1.00 0.00 C ATOM 1741 O ARG A 113 12.965 -11.340 0.193 1.00 0.00 O ATOM 1742 CB ARG A 113 11.620 -9.924 -2.165 1.00 0.00 C ATOM 1743 CG ARG A 113 12.028 -11.263 -2.784 1.00 0.00 C ATOM 1744 CD ARG A 113 12.471 -11.082 -4.238 1.00 0.00 C ATOM 1745 NE ARG A 113 13.191 -12.289 -4.700 1.00 0.00 N ATOM 1746 CZ ARG A 113 14.384 -12.678 -4.231 1.00 0.00 C ATOM 1747 NH1 ARG A 113 14.999 -11.958 -3.283 1.00 0.00 N ATOM 1748 NH2 ARG A 113 14.963 -13.789 -4.710 1.00 0.00 N ATOM 0 H ARG A 113 10.246 -8.225 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 113 10.490 -11.001 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.838 -9.464 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.470 -9.242 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.840 -11.703 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.190 -11.959 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.603 -10.901 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.116 -10.208 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 113 12.751 -12.861 -5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.559 -11.113 -2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.907 -12.255 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.495 -14.338 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.871 -14.085 -4.353 1.00 0.00 H new ATOM 1762 N ALA A 114 12.586 -9.255 0.980 1.00 0.00 N ATOM 1763 CA ALA A 114 13.698 -9.286 1.916 1.00 0.00 C ATOM 1764 C ALA A 114 13.187 -8.952 3.319 1.00 0.00 C ATOM 1765 O ALA A 114 13.912 -8.368 4.124 1.00 0.00 O ATOM 1766 CB ALA A 114 14.786 -8.319 1.446 1.00 0.00 C ATOM 0 H ALA A 114 12.050 -8.387 0.983 1.00 0.00 H new ATOM 0 HA ALA A 114 14.141 -10.281 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.620 -8.341 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.135 -8.617 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.379 -7.309 1.398 1.00 0.00 H new ATOM 1772 N HIS A 115 11.945 -9.337 3.569 1.00 0.00 N ATOM 1773 CA HIS A 115 11.330 -9.085 4.861 1.00 0.00 C ATOM 1774 C HIS A 115 10.373 -10.229 5.205 1.00 0.00 C ATOM 1775 O HIS A 115 10.388 -10.740 6.325 1.00 0.00 O ATOM 1776 CB HIS A 115 10.647 -7.716 4.881 1.00 0.00 C ATOM 1777 CG HIS A 115 11.180 -6.779 5.938 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.532 -6.626 6.191 1.00 0.00 N ATOM 1779 CD2 HIS A 115 10.529 -5.948 6.802 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.677 -5.742 7.166 1.00 0.00 C ATOM 1781 NE2 HIS A 115 11.435 -5.323 7.545 1.00 0.00 N ATOM 0 H HIS A 115 11.348 -9.822 2.899 1.00 0.00 H new ATOM 0 HA HIS A 115 12.099 -9.054 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.764 -7.249 3.903 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.578 -7.857 5.041 1.00 0.00 H new ATOM 0 HD1 HIS A 115 13.288 -7.112 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.459 -5.820 6.870 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.614 -5.411 7.588 1.00 0.00 H new ATOM 1790 N CYS A 116 9.565 -10.599 4.223 1.00 0.00 N ATOM 1791 CA CYS A 116 8.604 -11.672 4.407 1.00 0.00 C ATOM 1792 C CYS A 116 9.285 -12.994 4.046 1.00 0.00 C ATOM 1793 O CYS A 116 9.285 -13.934 4.838 1.00 0.00 O ATOM 1794 CB CYS A 116 7.334 -11.442 3.587 1.00 0.00 C ATOM 1795 SG CYS A 116 5.825 -11.141 4.577 1.00 0.00 S ATOM 0 H CYS A 116 9.556 -10.174 3.296 1.00 0.00 H new ATOM 0 HA CYS A 116 8.284 -11.701 5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.494 -10.590 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.167 -12.311 2.951 1.00 0.00 H new ATOM 1800 N GLN A 117 9.851 -13.023 2.847 1.00 0.00 N ATOM 1801 CA GLN A 117 10.534 -14.213 2.371 1.00 0.00 C ATOM 1802 C GLN A 117 11.847 -14.411 3.131 1.00 0.00 C ATOM 1803 O GLN A 117 12.915 -14.482 2.525 1.00 0.00 O ATOM 1804 CB GLN A 117 10.780 -14.138 0.863 1.00 0.00 C ATOM 1805 CG GLN A 117 9.872 -15.112 0.110 1.00 0.00 C ATOM 1806 CD GLN A 117 9.876 -14.818 -1.392 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.867 -14.393 -1.964 1.00 0.00 O ATOM 1808 NE2 GLN A 117 8.719 -15.068 -1.996 1.00 0.00 N ATOM 0 H GLN A 117 9.850 -12.241 2.192 1.00 0.00 H new ATOM 0 HA GLN A 117 9.894 -15.075 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.600 -13.122 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.824 -14.369 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.206 -16.135 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.855 -15.039 0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.929 -15.423 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.621 -14.905 -2.998 1.00 0.00 H new ATOM 1817 N ASN A 118 11.725 -14.496 4.448 1.00 0.00 N ATOM 1818 CA ASN A 118 12.889 -14.685 5.297 1.00 0.00 C ATOM 1819 C ASN A 118 12.497 -15.530 6.511 1.00 0.00 C ATOM 1820 O ASN A 118 13.036 -16.616 6.715 1.00 0.00 O ATOM 1821 CB ASN A 118 13.423 -13.344 5.805 1.00 0.00 C ATOM 1822 CG ASN A 118 14.929 -13.415 6.060 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.429 -14.293 6.744 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.623 -12.444 5.473 1.00 0.00 N ATOM 0 H ASN A 118 10.838 -14.437 4.948 1.00 0.00 H new ATOM 0 HA ASN A 118 13.661 -15.180 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.211 -12.564 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 118 12.907 -13.068 6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.636 -12.404 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.142 -11.740 4.913 1.00 0.00 H new ATOM 1831 N ARG A 119 11.562 -14.998 7.285 1.00 0.00 N ATOM 1832 CA ARG A 119 11.093 -15.690 8.473 1.00 0.00 C ATOM 1833 C ARG A 119 9.564 -15.752 8.482 1.00 0.00 C ATOM 1834 O ARG A 119 8.920 -15.425 7.485 1.00 0.00 O ATOM 1835 CB ARG A 119 11.575 -14.989 9.745 1.00 0.00 C ATOM 1836 CG ARG A 119 11.829 -16.000 10.865 1.00 0.00 C ATOM 1837 CD ARG A 119 13.325 -16.127 11.159 1.00 0.00 C ATOM 1838 NE ARG A 119 13.563 -16.050 12.618 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.698 -16.437 13.216 1.00 0.00 C ATOM 1840 NH1 ARG A 119 15.705 -16.933 12.485 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.824 -16.331 14.545 1.00 0.00 N ATOM 0 H ARG A 119 11.117 -14.096 7.112 1.00 0.00 H new ATOM 0 HA ARG A 119 11.501 -16.700 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.490 -14.436 9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.830 -14.262 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.302 -15.689 11.767 1.00 0.00 H new ATOM 0 HG3 ARG A 119 11.427 -16.972 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 119 13.701 -17.073 10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.873 -15.333 10.651 1.00 0.00 H new ATOM 0 HE ARG A 119 12.816 -15.679 13.205 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.608 -17.016 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 119 16.569 -17.228 12.940 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.056 -15.956 15.102 1.00 0.00 H new ATOM 0 HH22 ARG A 119 15.688 -16.626 15.000 1.00 0.00 H new ATOM 1855 N ASP A 120 9.027 -16.174 9.616 1.00 0.00 N ATOM 1856 CA ASP A 120 7.586 -16.283 9.768 1.00 0.00 C ATOM 1857 C ASP A 120 7.042 -14.990 10.376 1.00 0.00 C ATOM 1858 O ASP A 120 7.142 -14.776 11.584 1.00 0.00 O ATOM 1859 CB ASP A 120 7.216 -17.437 10.703 1.00 0.00 C ATOM 1860 CG ASP A 120 5.741 -17.840 10.679 1.00 0.00 C ATOM 1861 OD1 ASP A 120 4.969 -17.215 11.440 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.416 -18.764 9.902 1.00 0.00 O ATOM 0 H ASP A 120 9.564 -16.445 10.440 1.00 0.00 H new ATOM 0 HA ASP A 120 7.156 -16.465 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.819 -18.306 10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.485 -17.160 11.722 1.00 0.00 H new ATOM 1867 N LEU A 121 6.477 -14.160 9.512 1.00 0.00 N ATOM 1868 CA LEU A 121 5.916 -12.892 9.949 1.00 0.00 C ATOM 1869 C LEU A 121 4.410 -13.054 10.170 1.00 0.00 C ATOM 1870 O LEU A 121 3.685 -12.066 10.271 1.00 0.00 O ATOM 1871 CB LEU A 121 6.276 -11.779 8.963 1.00 0.00 C ATOM 1872 CG LEU A 121 6.206 -10.351 9.509 1.00 0.00 C ATOM 1873 CD1 LEU A 121 7.472 -9.568 9.159 1.00 0.00 C ATOM 1874 CD2 LEU A 121 4.941 -9.640 9.024 1.00 0.00 C ATOM 0 H LEU A 121 6.395 -14.340 8.511 1.00 0.00 H new ATOM 0 HA LEU A 121 6.348 -12.593 10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.287 -11.958 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.609 -11.852 8.104 1.00 0.00 H new ATOM 0 HG LEU A 121 6.150 -10.404 10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.396 -8.557 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.339 -10.066 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.584 -9.523 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.916 -8.627 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.942 -9.598 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.062 -10.188 9.365 1.00 0.00 H new ATOM 1886 N SER A 122 3.987 -14.307 10.240 1.00 0.00 N ATOM 1887 CA SER A 122 2.582 -14.611 10.447 1.00 0.00 C ATOM 1888 C SER A 122 2.182 -14.282 11.887 1.00 0.00 C ATOM 1889 O SER A 122 1.012 -14.021 12.166 1.00 0.00 O ATOM 1890 CB SER A 122 2.284 -16.080 10.137 1.00 0.00 C ATOM 1891 OG SER A 122 1.776 -16.254 8.817 1.00 0.00 O ATOM 0 H SER A 122 4.593 -15.124 10.157 1.00 0.00 H new ATOM 0 HA SER A 122 1.996 -13.997 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.194 -16.668 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.561 -16.463 10.857 1.00 0.00 H new ATOM 0 HG SER A 122 1.600 -17.205 8.657 1.00 0.00 H new ATOM 1897 N GLN A 123 3.175 -14.303 12.763 1.00 0.00 N ATOM 1898 CA GLN A 123 2.943 -14.010 14.167 1.00 0.00 C ATOM 1899 C GLN A 123 2.607 -12.529 14.351 1.00 0.00 C ATOM 1900 O GLN A 123 2.145 -12.121 15.415 1.00 0.00 O ATOM 1901 CB GLN A 123 4.149 -14.409 15.019 1.00 0.00 C ATOM 1902 CG GLN A 123 3.854 -14.227 16.508 1.00 0.00 C ATOM 1903 CD GLN A 123 5.050 -14.654 17.361 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.685 -15.667 17.121 1.00 0.00 O ATOM 1905 NE2 GLN A 123 5.320 -13.828 18.367 1.00 0.00 N ATOM 0 H GLN A 123 4.144 -14.519 12.527 1.00 0.00 H new ATOM 0 HA GLN A 123 2.092 -14.601 14.505 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.410 -15.449 14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.012 -13.805 14.739 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.613 -13.183 16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.978 -14.815 16.783 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.748 -12.996 18.512 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.100 -14.026 18.994 1.00 0.00 H new ATOM 1914 N TYR A 124 2.855 -11.764 13.298 1.00 0.00 N ATOM 1915 CA TYR A 124 2.586 -10.336 13.331 1.00 0.00 C ATOM 1916 C TYR A 124 1.091 -10.057 13.160 1.00 0.00 C ATOM 1917 O TYR A 124 0.576 -9.074 13.691 1.00 0.00 O ATOM 1918 CB TYR A 124 3.342 -9.737 12.143 1.00 0.00 C ATOM 1919 CG TYR A 124 4.062 -8.425 12.462 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.109 -8.412 13.361 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.664 -7.254 11.850 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.785 -7.177 13.661 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.340 -6.019 12.151 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.368 -6.042 13.040 1.00 0.00 C ATOM 1925 OH TYR A 124 6.008 -4.875 13.324 1.00 0.00 O ATOM 0 H TYR A 124 3.239 -12.106 12.417 1.00 0.00 H new ATOM 0 HA TYR A 124 2.898 -9.908 14.284 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.073 -10.463 11.787 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.639 -9.565 11.328 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.421 -9.328 13.840 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.846 -7.264 11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.605 -7.153 14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.037 -5.095 11.681 1.00 0.00 H new ATOM 0 HH TYR A 124 5.605 -4.147 12.807 1.00 0.00 H new ATOM 1935 N ILE A 125 0.437 -10.938 12.419 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.988 -10.798 12.172 1.00 0.00 C ATOM 1937 C ILE A 125 -1.765 -11.527 13.271 1.00 0.00 C ATOM 1938 O ILE A 125 -2.778 -11.026 13.756 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.336 -11.268 10.758 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.817 -12.685 10.508 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.826 -10.277 9.711 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.467 -13.295 9.265 1.00 0.00 C ATOM 0 H ILE A 125 0.868 -11.752 11.981 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.281 -9.749 12.215 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.422 -11.303 10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.266 -12.663 10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.025 -13.311 11.376 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.086 -10.634 8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.285 -9.303 9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.257 -10.187 9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.081 -14.302 9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.547 -13.338 9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.237 -12.680 8.395 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.261 -12.698 13.630 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.895 -13.501 14.662 1.00 0.00 C ATOM 1956 C ARG A 126 -1.665 -12.873 16.039 1.00 0.00 C ATOM 1957 O ARG A 126 -0.590 -13.017 16.620 1.00 0.00 O ATOM 1958 CB ARG A 126 -1.347 -14.929 14.663 1.00 0.00 C ATOM 1959 CG ARG A 126 -2.104 -15.806 15.664 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.142 -16.465 16.653 1.00 0.00 C ATOM 1961 NE ARG A 126 -1.276 -15.836 17.986 1.00 0.00 N ATOM 1962 CZ ARG A 126 -1.898 -16.407 19.026 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -2.445 -17.623 18.896 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -1.972 -15.762 20.198 1.00 0.00 N ATOM 0 H ARG A 126 -0.421 -13.110 13.225 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.963 -13.534 14.447 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.432 -15.356 13.664 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.287 -14.915 14.915 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.830 -15.201 16.206 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.664 -16.573 15.130 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.354 -17.532 16.722 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.117 -16.366 16.297 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.870 -14.910 18.121 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.388 -18.115 18.004 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.918 -18.057 19.689 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.555 -14.837 20.298 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.446 -16.196 20.990 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.693 -12.190 16.522 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.617 -11.539 17.818 1.00 0.00 C ATOM 1980 C ASN A 127 -3.700 -10.464 17.910 1.00 0.00 C ATOM 1981 O ASN A 127 -4.147 -10.118 19.002 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.259 -10.862 18.016 1.00 0.00 C ATOM 1983 CG ASN A 127 -0.467 -11.537 19.138 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -0.940 -11.711 20.249 1.00 0.00 O ATOM 1985 ND2 ASN A 127 0.761 -11.906 18.786 1.00 0.00 N ATOM 0 H ASN A 127 -3.583 -12.074 16.038 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.755 -12.301 18.585 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -0.689 -10.904 17.088 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.405 -9.808 18.253 1.00 0.00 H new ATOM 0 HD21 ASN A 127 1.370 -12.365 19.464 1.00 0.00 H new ATOM 0 HD22 ASN A 127 1.094 -11.730 17.838 1.00 0.00 H new ATOM 1992 N CYS A 128 -4.091 -9.963 16.747 1.00 0.00 N ATOM 1993 CA CYS A 128 -5.114 -8.933 16.681 1.00 0.00 C ATOM 1994 C CYS A 128 -6.462 -9.572 17.020 1.00 0.00 C ATOM 1995 O CYS A 128 -7.374 -8.894 17.487 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.136 -8.244 15.315 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.269 -6.419 15.378 1.00 0.00 S ATOM 0 H CYS A 128 -3.718 -10.251 15.843 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.892 -8.150 17.406 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.227 -8.510 14.775 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.975 -8.636 14.740 1.00 0.00 H new ATOM 2002 N GLY A 129 -6.545 -10.871 16.769 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.766 -11.609 17.042 1.00 0.00 C ATOM 2004 C GLY A 129 -8.446 -12.042 15.741 1.00 0.00 C ATOM 2005 O GLY A 129 -9.671 -12.150 15.682 1.00 0.00 O ATOM 0 H GLY A 129 -5.786 -11.431 16.380 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.538 -12.486 17.647 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.448 -10.989 17.624 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.623 -12.277 14.729 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.130 -12.696 13.434 1.00 0.00 C ATOM 2011 C VAL A 130 -8.175 -14.224 13.377 1.00 0.00 C ATOM 2012 O VAL A 130 -7.469 -14.897 14.128 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.285 -12.080 12.317 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -7.487 -12.830 10.999 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.593 -10.590 12.153 1.00 0.00 C ATOM 0 H VAL A 130 -6.608 -12.185 14.780 1.00 0.00 H new ATOM 0 HA VAL A 130 -9.149 -12.336 13.289 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.237 -12.176 12.600 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.875 -12.372 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -7.193 -13.872 11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -8.537 -12.781 10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.979 -10.177 11.353 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.647 -10.461 11.905 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.373 -10.068 13.085 1.00 0.00 H new