USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 19 SER OG : rot -57:sc= 1.22 USER MOD Set 1.2: A 51 THR OG1 : rot -87:sc= -0.597! USER MOD Set 2.1: A 18 ASN : amide:sc= 0.977 K(o=-1.7,f=-3.9) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 173:sc= -2.66! (180deg=-3.23!) USER MOD Single : A 1 PHE N :NH3+ 171:sc= 0.961 (180deg=0.491) USER MOD Single : A 6 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.8!) USER MOD Single : A 7 GLN : amide:sc= 0.182 K(o=0.18,f=-7.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.005 USER MOD Single : A 14 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.27) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -27:sc= 0.437 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= 0.37! (180deg=-5.61!) USER MOD Single : A 41 ASN : amide:sc= -0.874 K(o=-0.87,f=-2.6) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= 1.21 (180deg=-1.28!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.23) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 1.15 K(o=1.1,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.98 (180deg=0.721) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.740 1.835 7.318 1.00 0.00 N ATOM 2 CA PHE A 1 4.388 2.162 6.059 1.00 0.00 C ATOM 3 C PHE A 1 4.158 3.611 5.630 1.00 0.00 C ATOM 4 O PHE A 1 5.026 4.458 5.874 1.00 0.00 O ATOM 5 CB PHE A 1 4.087 1.104 4.944 1.00 0.00 C ATOM 6 CG PHE A 1 2.653 0.618 4.827 1.00 0.00 C ATOM 7 CD1 PHE A 1 2.217 -0.474 5.565 1.00 0.00 C ATOM 8 CD2 PHE A 1 1.763 1.224 3.960 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.924 -0.945 5.438 1.00 0.00 C ATOM 10 CE2 PHE A 1 0.469 0.761 3.832 1.00 0.00 C ATOM 11 CZ PHE A 1 0.049 -0.327 4.570 1.00 0.00 C ATOM 0 H1 PHE A 1 3.800 0.810 7.483 1.00 0.00 H new ATOM 0 H2 PHE A 1 4.215 2.339 8.094 1.00 0.00 H new ATOM 0 H3 PHE A 1 2.741 2.122 7.279 1.00 0.00 H new ATOM 0 HA PHE A 1 5.462 2.097 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.380 1.530 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.726 0.238 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 1 2.897 -0.962 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 1 2.085 2.072 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 1 0.599 -1.796 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.215 1.250 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.962 -0.693 4.468 1.00 0.00 H new ATOM 21 N CYS A 2 2.968 3.920 5.112 1.00 0.00 N ATOM 22 CA CYS A 2 2.681 5.225 4.514 1.00 0.00 C ATOM 23 C CYS A 2 2.867 6.408 5.479 1.00 0.00 C ATOM 24 O CYS A 2 3.093 7.536 5.037 1.00 0.00 O ATOM 25 CB CYS A 2 1.299 5.260 3.851 1.00 0.00 C ATOM 26 SG CYS A 2 0.966 6.813 2.949 1.00 0.00 S ATOM 0 H CYS A 2 2.178 3.275 5.095 1.00 0.00 H new ATOM 0 HA CYS A 2 3.434 5.353 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.215 4.422 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.534 5.121 4.615 1.00 0.00 H new ATOM 31 N GLU A 3 2.826 6.134 6.778 1.00 0.00 N ATOM 32 CA GLU A 3 3.036 7.144 7.839 1.00 0.00 C ATOM 33 C GLU A 3 4.371 7.839 7.627 1.00 0.00 C ATOM 34 O GLU A 3 4.524 9.028 7.845 1.00 0.00 O ATOM 35 CB GLU A 3 3.087 6.500 9.242 1.00 0.00 C ATOM 36 CG GLU A 3 2.096 5.379 9.507 1.00 0.00 C ATOM 37 CD GLU A 3 2.507 4.092 8.845 1.00 0.00 C ATOM 38 OE1 GLU A 3 3.486 3.466 9.276 1.00 0.00 O ATOM 39 OE2 GLU A 3 1.922 3.721 7.796 1.00 0.00 O ATOM 0 H GLU A 3 2.645 5.198 7.140 1.00 0.00 H new ATOM 0 HA GLU A 3 2.200 7.842 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.093 6.112 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.924 7.282 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.007 5.221 10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.111 5.674 9.145 1.00 0.00 H new ATOM 46 N ARG A 4 5.335 7.071 7.215 1.00 0.00 N ATOM 47 CA ARG A 4 6.637 7.579 6.978 1.00 0.00 C ATOM 48 C ARG A 4 6.896 7.809 5.470 1.00 0.00 C ATOM 49 O ARG A 4 7.854 8.485 5.085 1.00 0.00 O ATOM 50 CB ARG A 4 7.698 6.671 7.647 1.00 0.00 C ATOM 51 CG ARG A 4 9.173 7.129 7.559 1.00 0.00 C ATOM 52 CD ARG A 4 9.417 8.543 8.139 1.00 0.00 C ATOM 53 NE ARG A 4 8.937 9.589 7.225 1.00 0.00 N ATOM 54 CZ ARG A 4 8.591 10.842 7.527 1.00 0.00 C ATOM 55 NH1 ARG A 4 8.681 11.297 8.780 1.00 0.00 N ATOM 56 NH2 ARG A 4 8.148 11.638 6.559 1.00 0.00 N ATOM 0 H ARG A 4 5.232 6.072 7.036 1.00 0.00 H new ATOM 0 HA ARG A 4 6.718 8.562 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.438 6.567 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.624 5.679 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.800 6.414 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.488 7.114 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.910 8.636 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.482 8.682 8.326 1.00 0.00 H new ATOM 0 HE ARG A 4 8.859 9.326 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.018 10.684 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.413 12.257 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.077 11.288 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.879 12.599 6.772 1.00 0.00 H new ATOM 70 N GLU A 5 6.039 7.295 4.640 1.00 0.00 N ATOM 71 CA GLU A 5 6.241 7.404 3.209 1.00 0.00 C ATOM 72 C GLU A 5 5.579 8.695 2.618 1.00 0.00 C ATOM 73 O GLU A 5 6.202 9.393 1.835 1.00 0.00 O ATOM 74 CB GLU A 5 5.814 6.086 2.523 1.00 0.00 C ATOM 75 CG GLU A 5 6.499 4.860 3.188 1.00 0.00 C ATOM 76 CD GLU A 5 6.157 3.502 2.600 1.00 0.00 C ATOM 77 OE1 GLU A 5 5.012 3.050 2.734 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.062 2.836 2.074 1.00 0.00 O ATOM 0 H GLU A 5 5.194 6.796 4.918 1.00 0.00 H new ATOM 0 HA GLU A 5 7.302 7.535 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.731 5.977 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.075 6.122 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.579 4.997 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.236 4.852 4.246 1.00 0.00 H new ATOM 85 N GLN A 6 4.335 9.013 3.024 1.00 0.00 N ATOM 86 CA GLN A 6 3.653 10.267 2.609 1.00 0.00 C ATOM 87 C GLN A 6 3.146 11.010 3.808 1.00 0.00 C ATOM 88 O GLN A 6 2.633 12.118 3.701 1.00 0.00 O ATOM 89 CB GLN A 6 2.420 9.951 1.841 1.00 0.00 C ATOM 90 CG GLN A 6 2.584 9.364 0.509 1.00 0.00 C ATOM 91 CD GLN A 6 3.128 10.376 -0.514 1.00 0.00 C ATOM 92 OE1 GLN A 6 3.896 11.263 -0.190 1.00 0.00 O ATOM 93 NE2 GLN A 6 2.669 10.291 -1.730 1.00 0.00 N ATOM 0 H GLN A 6 3.776 8.422 3.640 1.00 0.00 H new ATOM 0 HA GLN A 6 4.379 10.841 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.818 9.266 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.845 10.871 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.263 8.513 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.624 8.981 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.026 9.540 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.952 10.976 -2.431 1.00 0.00 H new ATOM 102 N GLN A 7 3.266 10.369 4.926 1.00 0.00 N ATOM 103 CA GLN A 7 2.702 10.790 6.173 1.00 0.00 C ATOM 104 C GLN A 7 1.173 10.662 6.247 1.00 0.00 C ATOM 105 O GLN A 7 0.522 11.326 7.049 1.00 0.00 O ATOM 106 CB GLN A 7 3.233 12.127 6.658 1.00 0.00 C ATOM 107 CG GLN A 7 4.716 12.079 6.928 1.00 0.00 C ATOM 108 CD GLN A 7 5.307 13.413 7.361 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.484 13.697 7.117 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.518 14.235 8.011 1.00 0.00 N ATOM 0 H GLN A 7 3.785 9.494 5.000 1.00 0.00 H new ATOM 0 HA GLN A 7 3.065 10.063 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.025 12.893 5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.708 12.418 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.911 11.338 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.229 11.741 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.550 13.972 8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.872 15.137 8.330 1.00 0.00 H new ATOM 119 N LEU A 8 0.625 9.758 5.452 1.00 0.00 N ATOM 120 CA LEU A 8 -0.765 9.398 5.576 1.00 0.00 C ATOM 121 C LEU A 8 -0.838 8.280 6.554 1.00 0.00 C ATOM 122 O LEU A 8 0.175 7.761 7.009 1.00 0.00 O ATOM 123 CB LEU A 8 -1.416 8.841 4.274 1.00 0.00 C ATOM 124 CG LEU A 8 -1.876 9.773 3.153 1.00 0.00 C ATOM 125 CD1 LEU A 8 -2.643 10.956 3.670 1.00 0.00 C ATOM 126 CD2 LEU A 8 -0.777 10.127 2.186 1.00 0.00 C ATOM 0 H LEU A 8 1.128 9.263 4.715 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.293 10.310 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.702 8.145 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.285 8.257 4.578 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.590 9.206 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.947 11.586 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.528 10.611 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.012 11.531 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.170 10.791 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.030 10.629 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.394 9.218 1.721 1.00 0.00 H new ATOM 138 N GLU A 9 -2.008 7.893 6.831 1.00 0.00 N ATOM 139 CA GLU A 9 -2.240 6.714 7.582 1.00 0.00 C ATOM 140 C GLU A 9 -2.165 5.606 6.558 1.00 0.00 C ATOM 141 O GLU A 9 -2.395 5.844 5.363 1.00 0.00 O ATOM 142 CB GLU A 9 -3.620 6.759 8.157 1.00 0.00 C ATOM 143 CG GLU A 9 -3.962 5.694 9.172 1.00 0.00 C ATOM 144 CD GLU A 9 -5.409 5.801 9.543 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.251 5.264 8.805 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.737 6.527 10.501 1.00 0.00 O ATOM 0 H GLU A 9 -2.854 8.385 6.544 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.534 6.586 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.764 7.734 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.334 6.690 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.753 4.706 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.339 5.809 10.059 1.00 0.00 H new ATOM 153 N SER A 10 -1.807 4.472 6.959 1.00 0.00 N ATOM 154 CA SER A 10 -1.704 3.392 6.083 1.00 0.00 C ATOM 155 C SER A 10 -3.037 2.717 5.911 1.00 0.00 C ATOM 156 O SER A 10 -3.874 2.758 6.803 1.00 0.00 O ATOM 157 CB SER A 10 -0.748 2.460 6.691 1.00 0.00 C ATOM 158 OG SER A 10 -1.241 1.949 7.925 1.00 0.00 O ATOM 0 H SER A 10 -1.570 4.256 7.927 1.00 0.00 H new ATOM 0 HA SER A 10 -1.376 3.721 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.553 1.636 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.202 2.967 6.858 1.00 0.00 H new ATOM 0 HG SER A 10 -0.585 1.329 8.308 1.00 0.00 H new ATOM 164 N CYS A 11 -3.221 2.080 4.805 1.00 0.00 N ATOM 165 CA CYS A 11 -4.427 1.347 4.589 1.00 0.00 C ATOM 166 C CYS A 11 -4.116 0.278 3.566 1.00 0.00 C ATOM 167 O CYS A 11 -3.048 0.320 2.941 1.00 0.00 O ATOM 168 CB CYS A 11 -5.567 2.276 4.097 1.00 0.00 C ATOM 169 SG CYS A 11 -5.703 2.437 2.306 1.00 0.00 S ATOM 0 H CYS A 11 -2.553 2.050 4.035 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.775 0.899 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.514 1.901 4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.417 3.267 4.525 1.00 0.00 H new ATOM 174 N ALA A 12 -4.988 -0.672 3.413 1.00 0.00 N ATOM 175 CA ALA A 12 -4.812 -1.699 2.433 1.00 0.00 C ATOM 176 C ALA A 12 -5.979 -1.637 1.491 1.00 0.00 C ATOM 177 O ALA A 12 -7.128 -1.721 1.930 1.00 0.00 O ATOM 178 CB ALA A 12 -4.722 -3.070 3.093 1.00 0.00 C ATOM 0 H ALA A 12 -5.842 -0.757 3.965 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.880 -1.544 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.588 -3.834 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.874 -3.089 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.640 -3.268 3.647 1.00 0.00 H new ATOM 184 N CYS A 13 -5.695 -1.430 0.225 1.00 0.00 N ATOM 185 CA CYS A 13 -6.711 -1.340 -0.790 1.00 0.00 C ATOM 186 C CYS A 13 -7.564 -2.600 -0.833 1.00 0.00 C ATOM 187 O CYS A 13 -7.050 -3.705 -0.805 1.00 0.00 O ATOM 188 CB CYS A 13 -6.058 -1.024 -2.135 1.00 0.00 C ATOM 189 SG CYS A 13 -5.211 0.620 -2.171 1.00 0.00 S ATOM 0 H CYS A 13 -4.745 -1.319 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.394 -0.526 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.333 -1.803 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.819 -1.050 -2.915 1.00 0.00 H new ATOM 194 N ASN A 14 -8.883 -2.398 -0.850 1.00 0.00 N ATOM 195 CA ASN A 14 -9.887 -3.486 -0.827 1.00 0.00 C ATOM 196 C ASN A 14 -9.742 -4.409 -2.018 1.00 0.00 C ATOM 197 O ASN A 14 -10.170 -5.557 -1.983 1.00 0.00 O ATOM 198 CB ASN A 14 -11.304 -2.899 -0.831 1.00 0.00 C ATOM 199 CG ASN A 14 -11.556 -1.941 0.312 1.00 0.00 C ATOM 200 OD1 ASN A 14 -11.300 -0.748 0.190 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.066 -2.436 1.412 1.00 0.00 N ATOM 0 H ASN A 14 -9.298 -1.467 -0.880 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.717 -4.060 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.473 -2.381 -1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.027 -3.713 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.263 -1.823 2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.266 -3.434 1.477 1.00 0.00 H new ATOM 208 N GLU A 15 -9.170 -3.889 -3.069 1.00 0.00 N ATOM 209 CA GLU A 15 -8.936 -4.619 -4.248 1.00 0.00 C ATOM 210 C GLU A 15 -7.764 -5.589 -3.980 1.00 0.00 C ATOM 211 O GLU A 15 -6.759 -5.191 -3.380 1.00 0.00 O ATOM 212 CB GLU A 15 -8.672 -3.624 -5.404 1.00 0.00 C ATOM 213 CG GLU A 15 -8.638 -4.208 -6.818 1.00 0.00 C ATOM 214 CD GLU A 15 -7.416 -5.024 -7.064 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.327 -4.446 -7.052 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.517 -6.245 -7.173 1.00 0.00 O ATOM 0 H GLU A 15 -8.852 -2.921 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.795 -5.220 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.442 -2.853 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.719 -3.130 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.522 -4.826 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.683 -3.397 -7.545 1.00 0.00 H new ATOM 223 N THR A 16 -7.903 -6.828 -4.433 1.00 0.00 N ATOM 224 CA THR A 16 -6.941 -7.890 -4.180 1.00 0.00 C ATOM 225 C THR A 16 -5.511 -7.520 -4.552 1.00 0.00 C ATOM 226 O THR A 16 -4.604 -7.591 -3.711 1.00 0.00 O ATOM 227 CB THR A 16 -7.335 -9.177 -4.927 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.624 -9.618 -4.459 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.281 -10.282 -4.714 1.00 0.00 C ATOM 0 H THR A 16 -8.700 -7.127 -4.995 1.00 0.00 H new ATOM 0 HA THR A 16 -6.967 -8.053 -3.103 1.00 0.00 H new ATOM 0 HB THR A 16 -7.385 -8.967 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.881 -10.437 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.582 -11.181 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.316 -9.941 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.199 -10.506 -3.650 1.00 0.00 H new ATOM 237 N ASP A 17 -5.307 -7.082 -5.750 1.00 0.00 N ATOM 238 CA ASP A 17 -3.966 -6.861 -6.212 1.00 0.00 C ATOM 239 C ASP A 17 -3.397 -5.613 -5.559 1.00 0.00 C ATOM 240 O ASP A 17 -2.205 -5.528 -5.248 1.00 0.00 O ATOM 241 CB ASP A 17 -3.938 -6.692 -7.710 1.00 0.00 C ATOM 242 CG ASP A 17 -2.540 -6.806 -8.301 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.091 -7.939 -8.550 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.854 -5.763 -8.529 1.00 0.00 O ATOM 0 H ASP A 17 -6.041 -6.870 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.364 -7.729 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.581 -7.445 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.356 -5.719 -7.967 1.00 0.00 H new ATOM 249 N ASN A 18 -4.246 -4.618 -5.348 1.00 0.00 N ATOM 250 CA ASN A 18 -3.828 -3.379 -4.738 1.00 0.00 C ATOM 251 C ASN A 18 -3.591 -3.498 -3.272 1.00 0.00 C ATOM 252 O ASN A 18 -2.992 -2.624 -2.678 1.00 0.00 O ATOM 253 CB ASN A 18 -4.725 -2.190 -5.089 1.00 0.00 C ATOM 254 CG ASN A 18 -4.460 -1.637 -6.486 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.644 -0.745 -6.659 1.00 0.00 O ATOM 256 ND2 ASN A 18 -5.074 -2.200 -7.488 1.00 0.00 N ATOM 0 H ASN A 18 -5.235 -4.652 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.859 -3.161 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.769 -2.495 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.573 -1.398 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.877 -1.897 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.752 -2.943 -7.318 1.00 0.00 H new ATOM 263 N SER A 19 -3.990 -4.602 -2.694 1.00 0.00 N ATOM 264 CA SER A 19 -3.716 -4.806 -1.279 1.00 0.00 C ATOM 265 C SER A 19 -2.266 -5.238 -1.060 1.00 0.00 C ATOM 266 O SER A 19 -1.842 -5.471 0.056 1.00 0.00 O ATOM 267 CB SER A 19 -4.727 -5.758 -0.585 1.00 0.00 C ATOM 268 OG SER A 19 -4.785 -7.053 -1.178 1.00 0.00 O ATOM 0 H SER A 19 -4.492 -5.359 -3.158 1.00 0.00 H new ATOM 0 HA SER A 19 -3.855 -3.841 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.456 -5.860 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.719 -5.308 -0.616 1.00 0.00 H new ATOM 0 HG SER A 19 -5.012 -6.968 -2.128 1.00 0.00 H new ATOM 274 N CYS A 20 -1.511 -5.340 -2.150 1.00 0.00 N ATOM 275 CA CYS A 20 -0.115 -5.666 -2.055 1.00 0.00 C ATOM 276 C CYS A 20 0.720 -4.439 -2.430 1.00 0.00 C ATOM 277 O CYS A 20 1.904 -4.531 -2.704 1.00 0.00 O ATOM 278 CB CYS A 20 0.236 -6.835 -2.962 1.00 0.00 C ATOM 279 SG CYS A 20 1.761 -7.687 -2.494 1.00 0.00 S ATOM 0 H CYS A 20 -1.853 -5.200 -3.101 1.00 0.00 H new ATOM 0 HA CYS A 20 0.106 -5.960 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.587 -7.550 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.332 -6.473 -3.986 1.00 0.00 H new ATOM 284 N LYS A 21 0.092 -3.288 -2.469 1.00 0.00 N ATOM 285 CA LYS A 21 0.780 -2.066 -2.707 1.00 0.00 C ATOM 286 C LYS A 21 0.511 -1.137 -1.629 1.00 0.00 C ATOM 287 O LYS A 21 -0.426 -1.307 -0.849 1.00 0.00 O ATOM 288 CB LYS A 21 0.478 -1.466 -4.079 1.00 0.00 C ATOM 289 CG LYS A 21 1.119 -2.213 -5.257 1.00 0.00 C ATOM 290 CD LYS A 21 0.193 -3.233 -5.902 1.00 0.00 C ATOM 291 CE LYS A 21 -0.876 -2.544 -6.733 1.00 0.00 C ATOM 292 NZ LYS A 21 -1.834 -3.503 -7.310 1.00 0.00 N ATOM 0 H LYS A 21 -0.914 -3.185 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 21 1.848 -2.282 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.602 -1.446 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.820 -0.431 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.431 -1.489 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.019 -2.719 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.771 -3.908 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.277 -3.843 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.412 -1.827 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.402 -1.978 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.610 -2.985 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.350 -4.096 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.219 -4.106 -6.555 1.00 0.00 H new ATOM 306 N VAL A 22 1.367 -0.196 -1.553 1.00 0.00 N ATOM 307 CA VAL A 22 1.338 0.760 -0.540 1.00 0.00 C ATOM 308 C VAL A 22 0.202 1.686 -0.736 1.00 0.00 C ATOM 309 O VAL A 22 0.189 2.487 -1.646 1.00 0.00 O ATOM 310 CB VAL A 22 2.658 1.516 -0.455 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.579 2.542 0.651 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.767 0.510 -0.206 1.00 0.00 C ATOM 0 H VAL A 22 2.129 -0.072 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 22 1.197 0.244 0.410 1.00 0.00 H new ATOM 0 HB VAL A 22 2.866 2.047 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.523 3.084 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.771 3.243 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.386 2.041 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.723 1.030 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.577 -0.017 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.799 -0.207 -1.026 1.00 0.00 H new ATOM 322 N CYS A 23 -0.769 1.495 0.047 1.00 0.00 N ATOM 323 CA CYS A 23 -1.904 2.369 0.052 1.00 0.00 C ATOM 324 C CYS A 23 -1.853 3.282 1.274 1.00 0.00 C ATOM 325 O CYS A 23 -1.255 2.950 2.315 1.00 0.00 O ATOM 326 CB CYS A 23 -3.227 1.611 -0.003 1.00 0.00 C ATOM 327 SG CYS A 23 -3.367 0.329 -1.328 1.00 0.00 S ATOM 0 H CYS A 23 -0.821 0.728 0.717 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.855 2.974 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.388 1.129 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.032 2.333 -0.136 1.00 0.00 H new ATOM 332 N CYS A 24 -2.481 4.399 1.145 1.00 0.00 N ATOM 333 CA CYS A 24 -2.495 5.429 2.113 1.00 0.00 C ATOM 334 C CYS A 24 -3.947 5.772 2.337 1.00 0.00 C ATOM 335 O CYS A 24 -4.793 5.426 1.501 1.00 0.00 O ATOM 336 CB CYS A 24 -1.703 6.624 1.558 1.00 0.00 C ATOM 337 SG CYS A 24 0.046 6.244 1.241 1.00 0.00 S ATOM 0 H CYS A 24 -3.027 4.626 0.314 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.035 5.139 3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.168 6.960 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.765 7.452 2.264 1.00 0.00 H new ATOM 342 N ARG A 25 -4.254 6.419 3.414 1.00 0.00 N ATOM 343 CA ARG A 25 -5.612 6.644 3.755 1.00 0.00 C ATOM 344 C ARG A 25 -5.844 8.121 3.757 1.00 0.00 C ATOM 345 O ARG A 25 -5.137 8.866 4.444 1.00 0.00 O ATOM 346 CB ARG A 25 -5.875 5.998 5.110 1.00 0.00 C ATOM 347 CG ARG A 25 -7.328 5.694 5.409 1.00 0.00 C ATOM 348 CD ARG A 25 -8.042 6.845 6.092 1.00 0.00 C ATOM 349 NE ARG A 25 -7.499 7.142 7.423 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.630 8.299 8.079 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.140 9.374 7.459 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.199 8.399 9.337 1.00 0.00 N ATOM 0 H ARG A 25 -3.575 6.801 4.073 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.304 6.198 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.307 5.070 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.491 6.656 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.843 5.454 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.386 4.809 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.967 7.735 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.102 6.607 6.182 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.976 6.400 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.430 9.310 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.238 10.255 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.771 7.594 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.297 9.280 9.841 1.00 0.00 H new ATOM 366 N ASP A 26 -6.806 8.547 2.990 1.00 0.00 N ATOM 367 CA ASP A 26 -7.037 9.926 2.775 1.00 0.00 C ATOM 368 C ASP A 26 -8.027 10.458 3.797 1.00 0.00 C ATOM 369 O ASP A 26 -8.463 9.751 4.726 1.00 0.00 O ATOM 370 CB ASP A 26 -7.500 10.196 1.294 1.00 0.00 C ATOM 371 CG ASP A 26 -9.021 10.199 1.073 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.721 9.408 1.693 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.526 11.063 0.328 1.00 0.00 O ATOM 0 H ASP A 26 -7.453 7.932 2.496 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.101 10.468 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.101 11.159 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.057 9.438 0.648 1.00 0.00 H new ATOM 378 N LEU A 27 -8.358 11.669 3.610 1.00 0.00 N ATOM 379 CA LEU A 27 -9.206 12.443 4.469 1.00 0.00 C ATOM 380 C LEU A 27 -10.625 11.902 4.535 1.00 0.00 C ATOM 381 O LEU A 27 -11.272 11.983 5.567 1.00 0.00 O ATOM 382 CB LEU A 27 -9.245 13.917 4.041 1.00 0.00 C ATOM 383 CG LEU A 27 -7.917 14.551 3.608 1.00 0.00 C ATOM 384 CD1 LEU A 27 -7.695 14.390 2.100 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.843 16.010 4.024 1.00 0.00 C ATOM 0 H LEU A 27 -8.031 12.199 2.802 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.768 12.366 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.951 14.012 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.644 14.500 4.871 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.113 14.022 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.746 14.849 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.674 13.330 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.506 14.877 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.891 16.432 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.660 16.563 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.926 16.084 5.108 1.00 0.00 H new ATOM 397 N SER A 28 -11.073 11.317 3.457 1.00 0.00 N ATOM 398 CA SER A 28 -12.406 10.837 3.362 1.00 0.00 C ATOM 399 C SER A 28 -12.449 9.370 3.757 1.00 0.00 C ATOM 400 O SER A 28 -13.497 8.724 3.699 1.00 0.00 O ATOM 401 CB SER A 28 -12.935 11.059 1.942 1.00 0.00 C ATOM 402 OG SER A 28 -14.278 10.624 1.783 1.00 0.00 O ATOM 0 H SER A 28 -10.511 11.164 2.619 1.00 0.00 H new ATOM 0 HA SER A 28 -13.051 11.387 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.869 12.119 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.299 10.527 1.234 1.00 0.00 H new ATOM 0 HG SER A 28 -14.468 9.907 2.424 1.00 0.00 H new ATOM 408 N GLY A 29 -11.304 8.867 4.158 1.00 0.00 N ATOM 409 CA GLY A 29 -11.185 7.523 4.572 1.00 0.00 C ATOM 410 C GLY A 29 -11.137 6.547 3.418 1.00 0.00 C ATOM 411 O GLY A 29 -11.531 5.393 3.550 1.00 0.00 O ATOM 0 H GLY A 29 -10.434 9.398 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.281 7.413 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.027 7.272 5.217 1.00 0.00 H new ATOM 415 N ARG A 30 -10.646 7.004 2.302 1.00 0.00 N ATOM 416 CA ARG A 30 -10.534 6.192 1.121 1.00 0.00 C ATOM 417 C ARG A 30 -9.154 5.580 1.078 1.00 0.00 C ATOM 418 O ARG A 30 -8.186 6.159 1.612 1.00 0.00 O ATOM 419 CB ARG A 30 -10.675 7.059 -0.124 1.00 0.00 C ATOM 420 CG ARG A 30 -11.918 7.918 -0.187 1.00 0.00 C ATOM 421 CD ARG A 30 -11.756 8.953 -1.280 1.00 0.00 C ATOM 422 NE ARG A 30 -12.896 9.875 -1.377 1.00 0.00 N ATOM 423 CZ ARG A 30 -12.778 11.214 -1.466 1.00 0.00 C ATOM 424 NH1 ARG A 30 -11.622 11.816 -1.138 1.00 0.00 N ATOM 425 NH2 ARG A 30 -13.849 11.960 -1.762 1.00 0.00 N ATOM 0 H ARG A 30 -10.309 7.959 2.183 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.312 5.429 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.803 7.709 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.659 6.410 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.793 7.298 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.084 8.408 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.848 9.527 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.625 8.445 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.835 9.476 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.829 11.259 -0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.538 12.830 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.753 11.515 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.761 12.974 -1.830 1.00 0.00 H new ATOM 439 N CYS A 31 -9.059 4.435 0.470 1.00 0.00 N ATOM 440 CA CYS A 31 -7.792 3.829 0.213 1.00 0.00 C ATOM 441 C CYS A 31 -7.247 4.303 -1.090 1.00 0.00 C ATOM 442 O CYS A 31 -7.820 4.049 -2.153 1.00 0.00 O ATOM 443 CB CYS A 31 -7.852 2.313 0.260 1.00 0.00 C ATOM 444 SG CYS A 31 -7.542 1.664 1.908 1.00 0.00 S ATOM 0 H CYS A 31 -9.860 3.897 0.139 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.117 4.137 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.833 1.980 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.118 1.902 -0.433 1.00 0.00 H new ATOM 449 N VAL A 32 -6.172 5.007 -1.007 1.00 0.00 N ATOM 450 CA VAL A 32 -5.538 5.540 -2.121 1.00 0.00 C ATOM 451 C VAL A 32 -4.112 5.010 -2.192 1.00 0.00 C ATOM 452 O VAL A 32 -3.354 5.169 -1.247 1.00 0.00 O ATOM 453 CB VAL A 32 -5.602 7.109 -2.165 1.00 0.00 C ATOM 454 CG1 VAL A 32 -5.123 7.748 -0.852 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.816 7.657 -3.353 1.00 0.00 C ATOM 0 H VAL A 32 -5.709 5.224 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.075 5.214 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.650 7.380 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.186 8.833 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.753 7.407 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.090 7.457 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.877 8.745 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.773 7.353 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.236 7.265 -4.279 1.00 0.00 H new ATOM 465 N PRO A 33 -3.760 4.300 -3.269 1.00 0.00 N ATOM 466 CA PRO A 33 -2.405 3.793 -3.464 1.00 0.00 C ATOM 467 C PRO A 33 -1.407 4.942 -3.487 1.00 0.00 C ATOM 468 O PRO A 33 -1.660 5.972 -4.120 1.00 0.00 O ATOM 469 CB PRO A 33 -2.459 3.120 -4.844 1.00 0.00 C ATOM 470 CG PRO A 33 -3.899 2.838 -5.078 1.00 0.00 C ATOM 471 CD PRO A 33 -4.652 3.931 -4.382 1.00 0.00 C ATOM 0 HA PRO A 33 -2.091 3.116 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.054 3.772 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.870 2.203 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.126 2.825 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.175 1.861 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.839 4.776 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.622 3.586 -4.023 1.00 0.00 H new ATOM 479 N TYR A 34 -0.316 4.795 -2.766 1.00 0.00 N ATOM 480 CA TYR A 34 0.705 5.811 -2.748 1.00 0.00 C ATOM 481 C TYR A 34 1.345 6.021 -4.080 1.00 0.00 C ATOM 482 O TYR A 34 1.802 5.093 -4.739 1.00 0.00 O ATOM 483 CB TYR A 34 1.748 5.584 -1.631 1.00 0.00 C ATOM 484 CG TYR A 34 3.204 6.012 -1.928 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.555 7.323 -2.271 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.239 5.093 -1.844 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.817 7.666 -2.512 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.538 5.473 -2.098 1.00 0.00 C ATOM 489 CZ TYR A 34 5.818 6.755 -2.431 1.00 0.00 C ATOM 490 OH TYR A 34 7.116 7.128 -2.688 1.00 0.00 O ATOM 0 H TYR A 34 -0.117 3.980 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 34 0.189 6.741 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.413 6.119 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.752 4.523 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.782 8.074 -2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.024 4.069 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.048 8.687 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.335 4.747 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 34 7.706 6.353 -2.584 1.00 0.00 H new ATOM 500 N VAL A 35 1.319 7.244 -4.470 1.00 0.00 N ATOM 501 CA VAL A 35 1.999 7.732 -5.563 1.00 0.00 C ATOM 502 C VAL A 35 2.314 9.097 -5.154 1.00 0.00 C ATOM 503 O VAL A 35 1.529 9.726 -4.423 1.00 0.00 O ATOM 504 CB VAL A 35 1.178 7.877 -6.836 1.00 0.00 C ATOM 505 CG1 VAL A 35 1.913 7.321 -8.012 1.00 0.00 C ATOM 506 CG2 VAL A 35 -0.246 7.361 -6.726 1.00 0.00 C ATOM 0 H VAL A 35 0.779 7.960 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 35 2.819 7.054 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 35 1.054 8.948 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.305 7.437 -8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.854 7.857 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.117 6.263 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.759 7.503 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.230 6.300 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.772 7.909 -5.944 1.00 0.00 H new ATOM 516 N ASP A 36 3.409 9.531 -5.517 1.00 0.00 N ATOM 517 CA ASP A 36 3.802 10.841 -5.250 1.00 0.00 C ATOM 518 C ASP A 36 3.769 11.573 -6.485 1.00 0.00 C ATOM 519 O ASP A 36 3.169 11.138 -7.471 1.00 0.00 O ATOM 520 CB ASP A 36 5.139 10.828 -4.585 1.00 0.00 C ATOM 521 CG ASP A 36 6.236 10.529 -5.563 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.187 9.470 -6.234 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.047 11.428 -5.777 1.00 0.00 O ATOM 0 H ASP A 36 4.098 8.980 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 36 3.127 11.343 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.322 11.794 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.144 10.081 -3.791 1.00 0.00 H new ATOM 528 N ALA A 37 4.366 12.668 -6.453 1.00 0.00 N ATOM 529 CA ALA A 37 4.263 13.556 -7.481 1.00 0.00 C ATOM 530 C ALA A 37 5.098 13.085 -8.679 1.00 0.00 C ATOM 531 O ALA A 37 4.821 13.417 -9.833 1.00 0.00 O ATOM 532 CB ALA A 37 4.618 14.876 -6.951 1.00 0.00 C ATOM 0 H ALA A 37 4.958 12.976 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 37 3.249 13.625 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.548 15.618 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.933 15.141 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.638 14.852 -6.567 1.00 0.00 H new ATOM 538 N GLU A 38 6.084 12.267 -8.359 1.00 0.00 N ATOM 539 CA GLU A 38 6.891 11.574 -9.266 1.00 0.00 C ATOM 540 C GLU A 38 6.167 10.384 -9.846 1.00 0.00 C ATOM 541 O GLU A 38 6.726 9.690 -10.729 1.00 0.00 O ATOM 542 CB GLU A 38 8.127 11.096 -8.556 1.00 0.00 C ATOM 543 CG GLU A 38 9.251 12.062 -8.592 1.00 0.00 C ATOM 544 CD GLU A 38 9.889 12.037 -9.955 1.00 0.00 C ATOM 545 OE1 GLU A 38 10.657 11.064 -10.220 1.00 0.00 O ATOM 546 OE2 GLU A 38 9.577 12.879 -10.787 1.00 0.00 O ATOM 0 H GLU A 38 6.334 12.077 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 38 7.151 12.250 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.878 10.882 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.452 10.158 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.890 13.065 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.987 11.809 -7.829 1.00 0.00 H new ATOM 553 N GLN A 39 4.946 10.093 -9.318 1.00 0.00 N ATOM 554 CA GLN A 39 4.130 9.054 -9.777 1.00 0.00 C ATOM 555 C GLN A 39 4.801 7.719 -9.519 1.00 0.00 C ATOM 556 O GLN A 39 4.664 6.763 -10.282 1.00 0.00 O ATOM 557 CB GLN A 39 3.817 9.319 -11.213 1.00 0.00 C ATOM 558 CG GLN A 39 2.868 10.487 -11.396 1.00 0.00 C ATOM 559 CD GLN A 39 2.784 10.957 -12.826 1.00 0.00 C ATOM 560 OE1 GLN A 39 1.969 10.488 -13.605 1.00 0.00 O ATOM 561 NE2 GLN A 39 3.621 11.900 -13.176 1.00 0.00 N ATOM 0 H GLN A 39 4.538 10.617 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 39 3.183 9.008 -9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.743 9.520 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.378 8.425 -11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.874 10.198 -11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.193 11.315 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.288 12.267 -12.497 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.606 12.268 -14.127 1.00 0.00 H new ATOM 570 N LYS A 40 5.511 7.654 -8.398 1.00 0.00 N ATOM 571 CA LYS A 40 6.134 6.453 -7.988 1.00 0.00 C ATOM 572 C LYS A 40 5.270 5.779 -7.015 1.00 0.00 C ATOM 573 O LYS A 40 4.554 6.405 -6.243 1.00 0.00 O ATOM 574 CB LYS A 40 7.457 6.716 -7.356 1.00 0.00 C ATOM 575 CG LYS A 40 8.350 7.507 -8.219 1.00 0.00 C ATOM 576 CD LYS A 40 8.713 6.792 -9.525 1.00 0.00 C ATOM 577 CE LYS A 40 9.753 7.562 -10.366 1.00 0.00 C ATOM 578 NZ LYS A 40 9.322 8.933 -10.746 1.00 0.00 N ATOM 0 H LYS A 40 5.656 8.442 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 40 6.291 5.829 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.307 7.244 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.936 5.767 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.871 8.458 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.264 7.737 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.103 5.801 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.809 6.649 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.685 7.627 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.966 6.994 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.490 9.081 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.309 9.047 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.866 9.632 -10.200 1.00 0.00 H new ATOM 592 N ASN A 41 5.354 4.542 -7.047 1.00 0.00 N ATOM 593 CA ASN A 41 4.554 3.699 -6.243 1.00 0.00 C ATOM 594 C ASN A 41 5.466 2.637 -5.635 1.00 0.00 C ATOM 595 O ASN A 41 6.671 2.625 -5.911 1.00 0.00 O ATOM 596 CB ASN A 41 3.522 3.076 -7.166 1.00 0.00 C ATOM 597 CG ASN A 41 2.490 2.131 -6.526 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.654 0.919 -6.529 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.473 2.676 -5.926 1.00 0.00 N ATOM 0 H ASN A 41 6.003 4.040 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 41 4.051 4.229 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.981 3.882 -7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.052 2.523 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.791 2.090 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.357 3.689 -5.937 1.00 0.00 H new ATOM 606 N LEU A 42 4.898 1.739 -4.884 1.00 0.00 N ATOM 607 CA LEU A 42 5.629 0.706 -4.174 1.00 0.00 C ATOM 608 C LEU A 42 4.745 -0.476 -3.964 1.00 0.00 C ATOM 609 O LEU A 42 3.516 -0.336 -3.830 1.00 0.00 O ATOM 610 CB LEU A 42 5.975 1.129 -2.770 1.00 0.00 C ATOM 611 CG LEU A 42 6.848 2.312 -2.527 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.801 2.584 -1.043 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.277 2.036 -2.973 1.00 0.00 C ATOM 0 H LEU A 42 3.889 1.696 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 42 6.517 0.501 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.035 1.311 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.449 0.275 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 42 6.500 3.173 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.427 3.445 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.774 2.791 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.168 1.712 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.893 2.915 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.675 1.188 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.288 1.807 -4.039 1.00 0.00 H new ATOM 625 N PHE A 43 5.353 -1.609 -3.876 1.00 0.00 N ATOM 626 CA PHE A 43 4.719 -2.775 -3.496 1.00 0.00 C ATOM 627 C PHE A 43 4.901 -2.892 -1.989 1.00 0.00 C ATOM 628 O PHE A 43 5.839 -2.288 -1.429 1.00 0.00 O ATOM 629 CB PHE A 43 5.374 -3.949 -4.200 1.00 0.00 C ATOM 630 CG PHE A 43 5.313 -3.883 -5.704 1.00 0.00 C ATOM 631 CD1 PHE A 43 4.119 -4.070 -6.371 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.459 -3.639 -6.446 1.00 0.00 C ATOM 633 CE1 PHE A 43 4.060 -4.018 -7.750 1.00 0.00 C ATOM 634 CE2 PHE A 43 6.408 -3.583 -7.825 1.00 0.00 C ATOM 635 CZ PHE A 43 5.206 -3.773 -8.478 1.00 0.00 C ATOM 0 H PHE A 43 6.345 -1.728 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 43 3.661 -2.769 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.418 -4.005 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.894 -4.870 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.218 -4.260 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.402 -3.491 -5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.119 -4.169 -8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.307 -3.391 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.163 -3.730 -9.556 1.00 0.00 H new ATOM 645 N LEU A 44 4.023 -3.587 -1.327 1.00 0.00 N ATOM 646 CA LEU A 44 4.165 -3.819 0.040 1.00 0.00 C ATOM 647 C LEU A 44 5.275 -4.809 0.301 1.00 0.00 C ATOM 648 O LEU A 44 5.862 -5.384 -0.618 1.00 0.00 O ATOM 649 CB LEU A 44 2.861 -4.239 0.735 1.00 0.00 C ATOM 650 CG LEU A 44 1.820 -3.148 0.981 1.00 0.00 C ATOM 651 CD1 LEU A 44 0.553 -3.756 1.552 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.367 -2.113 1.949 1.00 0.00 C ATOM 0 H LEU A 44 3.190 -4.002 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 44 4.436 -2.862 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.395 -5.022 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.118 -4.684 1.696 1.00 0.00 H new ATOM 0 HG LEU A 44 1.590 -2.665 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.182 -2.970 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.149 -4.483 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.781 -4.252 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.617 -1.340 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.611 -2.594 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.266 -1.661 1.529 1.00 0.00 H new ATOM 664 N ARG A 45 5.576 -4.994 1.534 1.00 0.00 N ATOM 665 CA ARG A 45 6.604 -5.846 1.902 1.00 0.00 C ATOM 666 C ARG A 45 6.071 -7.263 2.038 1.00 0.00 C ATOM 667 O ARG A 45 4.907 -7.465 2.388 1.00 0.00 O ATOM 668 CB ARG A 45 7.245 -5.353 3.172 1.00 0.00 C ATOM 669 CG ARG A 45 8.103 -4.046 3.050 1.00 0.00 C ATOM 670 CD ARG A 45 7.285 -2.776 2.672 1.00 0.00 C ATOM 671 NE ARG A 45 8.134 -1.562 2.583 1.00 0.00 N ATOM 672 CZ ARG A 45 7.695 -0.277 2.365 1.00 0.00 C ATOM 673 NH1 ARG A 45 6.408 -0.005 2.136 1.00 0.00 N ATOM 674 NH2 ARG A 45 8.557 0.724 2.351 1.00 0.00 N ATOM 0 H ARG A 45 5.098 -4.543 2.314 1.00 0.00 H new ATOM 0 HA ARG A 45 7.375 -5.858 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.460 -5.180 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.882 -6.146 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.610 -3.868 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.877 -4.202 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.787 -2.939 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.504 -2.616 3.415 1.00 0.00 H new ATOM 0 HE ARG A 45 9.139 -1.693 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.722 -0.760 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.111 0.958 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.550 0.544 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.230 1.676 2.189 1.00 0.00 H new ATOM 688 N LYS A 46 6.938 -8.216 1.833 1.00 0.00 N ATOM 689 CA LYS A 46 6.538 -9.621 1.729 1.00 0.00 C ATOM 690 C LYS A 46 6.005 -10.228 3.024 1.00 0.00 C ATOM 691 O LYS A 46 6.557 -10.012 4.126 1.00 0.00 O ATOM 692 CB LYS A 46 7.647 -10.507 1.116 1.00 0.00 C ATOM 693 CG LYS A 46 9.014 -10.387 1.782 1.00 0.00 C ATOM 694 CD LYS A 46 10.050 -11.425 1.276 1.00 0.00 C ATOM 695 CE LYS A 46 10.217 -11.448 -0.256 1.00 0.00 C ATOM 696 NZ LYS A 46 9.341 -12.456 -0.914 1.00 0.00 N ATOM 0 H LYS A 46 7.941 -8.058 1.732 1.00 0.00 H new ATOM 0 HA LYS A 46 5.693 -9.606 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.327 -11.548 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.751 -10.254 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.405 -9.384 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.894 -10.502 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.016 -11.212 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.750 -12.417 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.992 -10.460 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.257 -11.662 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.064 -12.113 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.857 -13.354 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.490 -12.606 -0.336 1.00 0.00 H new ATOM 710 N GLY A 47 4.886 -10.911 2.886 1.00 0.00 N ATOM 711 CA GLY A 47 4.297 -11.675 3.957 1.00 0.00 C ATOM 712 C GLY A 47 3.414 -10.844 4.827 1.00 0.00 C ATOM 713 O GLY A 47 3.242 -11.129 6.007 1.00 0.00 O ATOM 0 H GLY A 47 4.357 -10.949 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.719 -12.498 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.088 -12.117 4.563 1.00 0.00 H new ATOM 717 N LYS A 48 2.926 -9.766 4.282 1.00 0.00 N ATOM 718 CA LYS A 48 1.975 -8.937 4.964 1.00 0.00 C ATOM 719 C LYS A 48 0.590 -9.371 4.536 1.00 0.00 C ATOM 720 O LYS A 48 0.375 -9.625 3.353 1.00 0.00 O ATOM 721 CB LYS A 48 2.229 -7.458 4.636 1.00 0.00 C ATOM 722 CG LYS A 48 3.248 -6.680 5.538 1.00 0.00 C ATOM 723 CD LYS A 48 4.666 -7.294 5.620 1.00 0.00 C ATOM 724 CE LYS A 48 4.768 -8.408 6.666 1.00 0.00 C ATOM 725 NZ LYS A 48 6.086 -9.093 6.636 1.00 0.00 N ATOM 0 H LYS A 48 3.177 -9.437 3.350 1.00 0.00 H new ATOM 0 HA LYS A 48 2.071 -9.046 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.578 -7.398 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.274 -6.935 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.333 -5.660 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.839 -6.616 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.942 -7.692 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.384 -6.510 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.602 -7.988 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.978 -9.139 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.055 -9.932 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.303 -9.385 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.823 -8.442 6.975 1.00 0.00 H new ATOM 739 N PRO A 49 -0.335 -9.539 5.485 1.00 0.00 N ATOM 740 CA PRO A 49 -1.696 -9.976 5.178 1.00 0.00 C ATOM 741 C PRO A 49 -2.445 -8.956 4.329 1.00 0.00 C ATOM 742 O PRO A 49 -2.477 -7.760 4.640 1.00 0.00 O ATOM 743 CB PRO A 49 -2.357 -10.129 6.556 1.00 0.00 C ATOM 744 CG PRO A 49 -1.540 -9.288 7.473 1.00 0.00 C ATOM 745 CD PRO A 49 -0.142 -9.319 6.932 1.00 0.00 C ATOM 0 HA PRO A 49 -1.706 -10.897 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.395 -9.796 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.363 -11.171 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.921 -8.267 7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.573 -9.677 8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.385 -8.385 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.445 -10.118 7.384 1.00 0.00 H new ATOM 753 N CYS A 50 -3.009 -9.424 3.267 1.00 0.00 N ATOM 754 CA CYS A 50 -3.751 -8.626 2.378 1.00 0.00 C ATOM 755 C CYS A 50 -5.116 -9.285 2.184 1.00 0.00 C ATOM 756 O CYS A 50 -5.542 -10.047 3.045 1.00 0.00 O ATOM 757 CB CYS A 50 -2.974 -8.470 1.072 1.00 0.00 C ATOM 758 SG CYS A 50 -2.670 -10.008 0.166 1.00 0.00 S ATOM 0 H CYS A 50 -2.959 -10.405 2.994 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.911 -7.622 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.521 -7.787 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.015 -8.002 1.292 1.00 0.00 H new ATOM 763 N THR A 51 -5.782 -8.997 1.084 1.00 0.00 N ATOM 764 CA THR A 51 -7.127 -9.494 0.804 1.00 0.00 C ATOM 765 C THR A 51 -7.267 -11.013 0.865 1.00 0.00 C ATOM 766 O THR A 51 -7.924 -11.562 1.741 1.00 0.00 O ATOM 767 CB THR A 51 -7.522 -9.054 -0.600 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.384 -9.243 -1.476 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.929 -7.622 -0.612 1.00 0.00 C ATOM 0 H THR A 51 -5.405 -8.404 0.345 1.00 0.00 H new ATOM 0 HA THR A 51 -7.769 -9.081 1.582 1.00 0.00 H new ATOM 0 HB THR A 51 -8.369 -9.650 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.814 -8.446 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.206 -7.331 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.781 -7.480 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.098 -7.005 -0.272 1.00 0.00 H new ATOM 777 N VAL A 52 -6.668 -11.653 -0.087 1.00 0.00 N ATOM 778 CA VAL A 52 -6.797 -13.090 -0.248 1.00 0.00 C ATOM 779 C VAL A 52 -5.792 -13.904 0.557 1.00 0.00 C ATOM 780 O VAL A 52 -6.093 -15.017 0.978 1.00 0.00 O ATOM 781 CB VAL A 52 -6.773 -13.501 -1.740 1.00 0.00 C ATOM 782 CG1 VAL A 52 -7.941 -12.856 -2.474 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.460 -13.113 -2.410 1.00 0.00 C ATOM 0 H VAL A 52 -6.071 -11.206 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.775 -13.333 0.167 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.864 -14.586 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.918 -13.150 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.879 -13.185 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.864 -11.771 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.481 -13.418 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.326 -12.033 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.632 -13.610 -1.904 1.00 0.00 H new ATOM 793 N GLY A 53 -4.646 -13.344 0.795 1.00 0.00 N ATOM 794 CA GLY A 53 -3.625 -14.051 1.476 1.00 0.00 C ATOM 795 C GLY A 53 -2.513 -13.145 1.900 1.00 0.00 C ATOM 796 O GLY A 53 -2.735 -12.175 2.653 1.00 0.00 O ATOM 0 H GLY A 53 -4.401 -12.392 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.046 -14.545 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.230 -14.834 0.828 1.00 0.00 H new ATOM 800 N PHE A 54 -1.332 -13.407 1.420 1.00 0.00 N ATOM 801 CA PHE A 54 -0.198 -12.603 1.771 1.00 0.00 C ATOM 802 C PHE A 54 0.327 -11.854 0.586 1.00 0.00 C ATOM 803 O PHE A 54 0.256 -12.300 -0.532 1.00 0.00 O ATOM 804 CB PHE A 54 0.921 -13.408 2.433 1.00 0.00 C ATOM 805 CG PHE A 54 0.533 -14.009 3.755 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.616 -13.260 4.917 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.082 -15.316 3.837 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.259 -13.801 6.134 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.277 -15.864 5.052 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.188 -15.105 6.204 1.00 0.00 C ATOM 0 H PHE A 54 -1.129 -14.176 0.781 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.555 -11.885 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.231 -14.206 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.785 -12.760 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.965 -12.239 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.010 -15.913 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.329 -13.205 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.627 -16.884 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.467 -15.531 7.156 1.00 0.00 H new ATOM 820 N CYS A 55 0.839 -10.728 0.860 1.00 0.00 N ATOM 821 CA CYS A 55 1.390 -9.848 -0.130 1.00 0.00 C ATOM 822 C CYS A 55 2.840 -10.188 -0.327 1.00 0.00 C ATOM 823 O CYS A 55 3.590 -10.227 0.659 1.00 0.00 O ATOM 824 CB CYS A 55 1.293 -8.434 0.420 1.00 0.00 C ATOM 825 SG CYS A 55 2.083 -7.139 -0.581 1.00 0.00 S ATOM 0 H CYS A 55 0.898 -10.361 1.810 1.00 0.00 H new ATOM 0 HA CYS A 55 0.858 -9.941 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.239 -8.182 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.738 -8.420 1.415 1.00 0.00 H new ATOM 830 N ASP A 56 3.264 -10.486 -1.541 1.00 0.00 N ATOM 831 CA ASP A 56 4.689 -10.682 -1.716 1.00 0.00 C ATOM 832 C ASP A 56 5.265 -9.571 -2.606 1.00 0.00 C ATOM 833 O ASP A 56 4.542 -8.686 -3.029 1.00 0.00 O ATOM 834 CB ASP A 56 5.041 -12.090 -2.232 1.00 0.00 C ATOM 835 CG ASP A 56 6.497 -12.445 -1.918 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.785 -12.927 -0.802 1.00 0.00 O ATOM 837 OD2 ASP A 56 7.411 -12.153 -2.731 1.00 0.00 O ATOM 0 H ASP A 56 2.684 -10.593 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 56 5.159 -10.614 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.378 -12.824 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.876 -12.138 -3.308 1.00 0.00 H new ATOM 842 N MET A 57 6.536 -9.666 -2.950 1.00 0.00 N ATOM 843 CA MET A 57 7.274 -8.694 -3.683 1.00 0.00 C ATOM 844 C MET A 57 6.742 -8.589 -5.123 1.00 0.00 C ATOM 845 O MET A 57 7.054 -7.657 -5.863 1.00 0.00 O ATOM 846 CB MET A 57 8.722 -9.162 -3.633 1.00 0.00 C ATOM 847 CG MET A 57 9.654 -8.375 -4.451 1.00 0.00 C ATOM 848 SD MET A 57 11.364 -8.929 -4.281 1.00 0.00 S ATOM 849 CE MET A 57 12.190 -7.813 -5.415 1.00 0.00 C ATOM 0 H MET A 57 7.101 -10.479 -2.703 1.00 0.00 H new ATOM 0 HA MET A 57 7.180 -7.693 -3.262 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.061 -9.138 -2.597 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.764 -10.201 -3.958 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.357 -8.440 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.586 -7.325 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.258 -8.028 -5.424 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.784 -7.947 -6.418 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.030 -6.784 -5.094 1.00 0.00 H new ATOM 859 N ASN A 58 5.918 -9.552 -5.471 1.00 0.00 N ATOM 860 CA ASN A 58 5.240 -9.620 -6.746 1.00 0.00 C ATOM 861 C ASN A 58 4.247 -8.463 -6.868 1.00 0.00 C ATOM 862 O ASN A 58 3.935 -8.004 -7.974 1.00 0.00 O ATOM 863 CB ASN A 58 4.421 -10.933 -6.846 1.00 0.00 C ATOM 864 CG ASN A 58 5.224 -12.211 -6.672 1.00 0.00 C ATOM 865 OD1 ASN A 58 6.405 -12.271 -7.004 1.00 0.00 O ATOM 866 ND2 ASN A 58 4.588 -13.239 -6.148 1.00 0.00 N ATOM 0 H ASN A 58 5.694 -10.334 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 58 5.994 -9.574 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.635 -10.911 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.928 -10.962 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.077 -14.123 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.607 -13.151 -5.884 1.00 0.00 H new ATOM 873 N GLY A 59 3.751 -7.986 -5.722 1.00 0.00 N ATOM 874 CA GLY A 59 2.676 -7.020 -5.730 1.00 0.00 C ATOM 875 C GLY A 59 1.411 -7.725 -6.022 1.00 0.00 C ATOM 876 O GLY A 59 0.535 -7.216 -6.716 1.00 0.00 O ATOM 0 H GLY A 59 4.079 -8.256 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.614 -6.515 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.863 -6.252 -6.481 1.00 0.00 H new ATOM 880 N LYS A 60 1.358 -8.926 -5.515 1.00 0.00 N ATOM 881 CA LYS A 60 0.249 -9.820 -5.612 1.00 0.00 C ATOM 882 C LYS A 60 0.045 -10.442 -4.318 1.00 0.00 C ATOM 883 O LYS A 60 0.907 -10.408 -3.437 1.00 0.00 O ATOM 884 CB LYS A 60 0.433 -10.921 -6.654 1.00 0.00 C ATOM 885 CG LYS A 60 0.235 -10.479 -8.102 1.00 0.00 C ATOM 886 CD LYS A 60 1.460 -9.795 -8.674 1.00 0.00 C ATOM 887 CE LYS A 60 1.126 -8.919 -9.866 1.00 0.00 C ATOM 888 NZ LYS A 60 0.282 -7.769 -9.467 1.00 0.00 N ATOM 0 H LYS A 60 2.138 -9.326 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.609 -9.226 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.436 -11.335 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.268 -11.727 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.010 -11.348 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.616 -9.800 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.929 -9.188 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.188 -10.549 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.047 -8.556 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.607 -9.510 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.437 -6.980 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.719 -8.049 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.535 -7.470 -8.503 1.00 0.00 H new ATOM 902 N CYS A 61 -1.056 -11.000 -4.219 1.00 0.00 N ATOM 903 CA CYS A 61 -1.484 -11.603 -3.058 1.00 0.00 C ATOM 904 C CYS A 61 -1.585 -13.070 -3.277 1.00 0.00 C ATOM 905 O CYS A 61 -2.382 -13.534 -4.100 1.00 0.00 O ATOM 906 CB CYS A 61 -2.783 -10.988 -2.668 1.00 0.00 C ATOM 907 SG CYS A 61 -2.625 -9.419 -1.773 1.00 0.00 S ATOM 0 H CYS A 61 -1.727 -11.056 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.779 -11.451 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.378 -10.822 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.334 -11.694 -2.046 1.00 0.00 H new ATOM 912 N GLU A 62 -0.761 -13.757 -2.573 1.00 0.00 N ATOM 913 CA GLU A 62 -0.622 -15.152 -2.643 1.00 0.00 C ATOM 914 C GLU A 62 -1.474 -15.709 -1.496 1.00 0.00 C ATOM 915 O GLU A 62 -1.087 -15.477 -0.304 1.00 0.00 O ATOM 916 CB GLU A 62 0.862 -15.549 -2.423 1.00 0.00 C ATOM 917 CG GLU A 62 1.949 -14.634 -3.074 1.00 0.00 C ATOM 918 CD GLU A 62 1.942 -14.532 -4.605 1.00 0.00 C ATOM 919 OE1 GLU A 62 1.963 -15.572 -5.285 1.00 0.00 O ATOM 920 OE2 GLU A 62 1.992 -13.372 -5.139 1.00 0.00 O ATOM 921 OXT GLU A 62 -2.522 -16.314 -1.757 1.00 0.00 O ATOM 0 H GLU A 62 -0.132 -13.328 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.934 -15.539 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.047 -15.583 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.001 -16.561 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.836 -13.629 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.929 -14.996 -2.762 1.00 0.00 H new TER 928 GLU A 62