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 16 THR OG1 : rot -54:sc= 0.357 USER MOD Set 1.2: A 19 SER OG : rot -49:sc= -0.0176 USER MOD Set 1.3: A 51 THR OG1 : rot -73:sc= -1.57 USER MOD Single : A 1 PHE N :NH3+ 148:sc= 0.784 (180deg=-1.79!) USER MOD Single : A 6 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.63) USER MOD Single : A 7 GLN : amide:sc= -0.355! C(o=-0.35!,f=-4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 14 ASN : amide:sc= 0.439 K(o=0.44,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= 1.25 K(o=1.3,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.26 (180deg=0.193) USER MOD Single : A 28 SER OG : rot -29:sc= 0.51 USER MOD Single : A 34 TYR OH : rot -10:sc= 0.469 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= -1.36 (180deg=-2.69!) USER MOD Single : A 41 ASN : amide:sc= -0.76 X(o=-0.76,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 0.639 (180deg=-0.0375) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 0.473 (180deg=-0.346!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.39 K(o=-1.4,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.278 4.298 5.945 1.00 0.00 N ATOM 2 CA PHE A 1 5.037 4.234 4.487 1.00 0.00 C ATOM 3 C PHE A 1 4.572 5.587 4.023 1.00 0.00 C ATOM 4 O PHE A 1 5.139 6.173 3.116 1.00 0.00 O ATOM 5 CB PHE A 1 3.959 3.200 4.139 1.00 0.00 C ATOM 6 CG PHE A 1 4.155 1.836 4.716 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.865 1.613 6.041 1.00 0.00 C ATOM 8 CD2 PHE A 1 4.610 0.782 3.938 1.00 0.00 C ATOM 9 CE1 PHE A 1 4.030 0.366 6.606 1.00 0.00 C ATOM 10 CE2 PHE A 1 4.778 -0.473 4.493 1.00 0.00 C ATOM 11 CZ PHE A 1 4.491 -0.680 5.832 1.00 0.00 C ATOM 0 H1 PHE A 1 5.068 3.374 6.373 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.273 4.543 6.122 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.663 5.023 6.367 1.00 0.00 H new ATOM 0 HA PHE A 1 5.964 3.941 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 1 2.995 3.581 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 1 3.905 3.110 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 1 3.502 2.428 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.834 0.942 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 1 3.800 0.208 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.133 -1.291 3.883 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.628 -1.658 6.270 1.00 0.00 H new ATOM 21 N CYS A 2 3.512 6.047 4.610 1.00 0.00 N ATOM 22 CA CYS A 2 3.035 7.377 4.359 1.00 0.00 C ATOM 23 C CYS A 2 2.843 8.161 5.637 1.00 0.00 C ATOM 24 O CYS A 2 2.626 9.353 5.588 1.00 0.00 O ATOM 25 CB CYS A 2 1.735 7.382 3.610 1.00 0.00 C ATOM 26 SG CYS A 2 1.788 6.689 1.952 1.00 0.00 S ATOM 0 H CYS A 2 2.952 5.515 5.276 1.00 0.00 H new ATOM 0 HA CYS A 2 3.806 7.849 3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 2 0.999 6.827 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.379 8.410 3.543 1.00 0.00 H new ATOM 31 N GLU A 3 2.900 7.481 6.746 1.00 0.00 N ATOM 32 CA GLU A 3 2.639 8.038 8.080 1.00 0.00 C ATOM 33 C GLU A 3 3.493 9.250 8.366 1.00 0.00 C ATOM 34 O GLU A 3 2.988 10.342 8.576 1.00 0.00 O ATOM 35 CB GLU A 3 2.845 6.989 9.194 1.00 0.00 C ATOM 36 CG GLU A 3 2.196 5.616 8.967 1.00 0.00 C ATOM 37 CD GLU A 3 2.917 4.773 7.923 1.00 0.00 C ATOM 38 OE1 GLU A 3 3.897 4.116 8.244 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.555 4.827 6.727 1.00 0.00 O ATOM 0 H GLU A 3 3.136 6.489 6.768 1.00 0.00 H new ATOM 0 HA GLU A 3 1.593 8.343 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.916 6.842 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.458 7.400 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.174 5.072 9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.161 5.758 8.657 1.00 0.00 H new ATOM 46 N ARG A 4 4.766 9.060 8.381 1.00 0.00 N ATOM 47 CA ARG A 4 5.647 10.140 8.592 1.00 0.00 C ATOM 48 C ARG A 4 5.867 10.773 7.258 1.00 0.00 C ATOM 49 O ARG A 4 5.667 11.963 7.094 1.00 0.00 O ATOM 50 CB ARG A 4 6.983 9.662 9.238 1.00 0.00 C ATOM 51 CG ARG A 4 7.964 10.757 9.801 1.00 0.00 C ATOM 52 CD ARG A 4 8.884 11.464 8.757 1.00 0.00 C ATOM 53 NE ARG A 4 8.190 12.415 7.870 1.00 0.00 N ATOM 54 CZ ARG A 4 8.700 13.005 6.774 1.00 0.00 C ATOM 55 NH1 ARG A 4 9.990 12.842 6.452 1.00 0.00 N ATOM 56 NH2 ARG A 4 7.910 13.758 6.006 1.00 0.00 N ATOM 0 H ARG A 4 5.218 8.155 8.248 1.00 0.00 H new ATOM 0 HA ARG A 4 5.225 10.862 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.735 8.984 10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.525 9.079 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.372 11.519 10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.598 10.293 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.674 11.994 9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.367 10.703 8.144 1.00 0.00 H new ATOM 0 HE ARG A 4 7.227 12.649 8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.594 12.267 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.369 13.293 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.928 13.882 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.288 14.209 5.173 1.00 0.00 H new ATOM 70 N GLU A 5 6.207 9.929 6.319 1.00 0.00 N ATOM 71 CA GLU A 5 6.597 10.231 4.978 1.00 0.00 C ATOM 72 C GLU A 5 5.698 11.275 4.295 1.00 0.00 C ATOM 73 O GLU A 5 6.190 12.299 3.821 1.00 0.00 O ATOM 74 CB GLU A 5 6.625 8.916 4.155 1.00 0.00 C ATOM 75 CG GLU A 5 7.528 7.778 4.725 1.00 0.00 C ATOM 76 CD GLU A 5 6.956 6.949 5.877 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.036 7.386 6.577 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.382 5.807 6.038 1.00 0.00 O ATOM 0 H GLU A 5 6.217 8.924 6.496 1.00 0.00 H new ATOM 0 HA GLU A 5 7.589 10.680 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.606 8.539 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.961 9.149 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.774 7.099 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.464 8.224 5.061 1.00 0.00 H new ATOM 85 N GLN A 6 4.391 11.060 4.324 1.00 0.00 N ATOM 86 CA GLN A 6 3.471 11.918 3.595 1.00 0.00 C ATOM 87 C GLN A 6 2.507 12.537 4.569 1.00 0.00 C ATOM 88 O GLN A 6 1.682 13.374 4.195 1.00 0.00 O ATOM 89 CB GLN A 6 2.642 11.101 2.602 1.00 0.00 C ATOM 90 CG GLN A 6 3.416 10.221 1.640 1.00 0.00 C ATOM 91 CD GLN A 6 4.323 10.992 0.693 1.00 0.00 C ATOM 92 OE1 GLN A 6 5.473 11.244 0.983 1.00 0.00 O ATOM 93 NE2 GLN A 6 3.807 11.357 -0.449 1.00 0.00 N ATOM 0 H GLN A 6 3.946 10.302 4.842 1.00 0.00 H new ATOM 0 HA GLN A 6 4.053 12.672 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.957 10.469 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.031 11.790 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.020 9.517 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.710 9.633 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.836 11.131 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.375 11.868 -1.125 1.00 0.00 H new ATOM 102 N GLN A 7 2.616 12.108 5.826 1.00 0.00 N ATOM 103 CA GLN A 7 1.746 12.480 6.882 1.00 0.00 C ATOM 104 C GLN A 7 0.315 11.975 6.643 1.00 0.00 C ATOM 105 O GLN A 7 -0.665 12.565 7.085 1.00 0.00 O ATOM 106 CB GLN A 7 1.841 13.962 7.247 1.00 0.00 C ATOM 107 CG GLN A 7 3.256 14.386 7.648 1.00 0.00 C ATOM 108 CD GLN A 7 4.153 14.876 6.495 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.381 14.740 6.543 1.00 0.00 O ATOM 110 NE2 GLN A 7 3.567 15.440 5.469 1.00 0.00 N ATOM 0 H GLN A 7 3.351 11.466 6.123 1.00 0.00 H new ATOM 0 HA GLN A 7 2.093 11.967 7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.514 14.562 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.157 14.173 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.182 15.181 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.746 13.542 8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.552 15.541 5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.125 15.779 4.686 1.00 0.00 H new ATOM 119 N LEU A 8 0.242 10.835 5.982 1.00 0.00 N ATOM 120 CA LEU A 8 -0.993 10.142 5.713 1.00 0.00 C ATOM 121 C LEU A 8 -1.111 9.020 6.668 1.00 0.00 C ATOM 122 O LEU A 8 -0.253 8.795 7.509 1.00 0.00 O ATOM 123 CB LEU A 8 -0.996 9.542 4.301 1.00 0.00 C ATOM 124 CG LEU A 8 -0.868 10.513 3.160 1.00 0.00 C ATOM 125 CD1 LEU A 8 -0.589 9.779 1.845 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.104 11.395 3.040 1.00 0.00 C ATOM 0 H LEU A 8 1.063 10.358 5.610 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.815 10.852 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.177 8.825 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.922 8.982 4.170 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.018 11.162 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.501 10.504 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.341 9.217 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.408 9.093 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.979 12.085 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.981 10.771 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.238 11.961 3.962 1.00 0.00 H new ATOM 138 N GLU A 9 -2.131 8.314 6.505 1.00 0.00 N ATOM 139 CA GLU A 9 -2.373 7.134 7.275 1.00 0.00 C ATOM 140 C GLU A 9 -2.112 6.002 6.320 1.00 0.00 C ATOM 141 O GLU A 9 -2.159 6.210 5.111 1.00 0.00 O ATOM 142 CB GLU A 9 -3.823 7.093 7.706 1.00 0.00 C ATOM 143 CG GLU A 9 -4.178 6.064 8.765 1.00 0.00 C ATOM 144 CD GLU A 9 -5.677 5.960 8.943 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.268 6.770 9.658 1.00 0.00 O ATOM 146 OE2 GLU A 9 -6.288 5.082 8.325 1.00 0.00 O ATOM 0 H GLU A 9 -2.858 8.522 5.821 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.753 7.088 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.097 8.079 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.437 6.905 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.774 5.092 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.714 6.338 9.713 1.00 0.00 H new ATOM 153 N SER A 10 -1.784 4.880 6.811 1.00 0.00 N ATOM 154 CA SER A 10 -1.585 3.739 6.021 1.00 0.00 C ATOM 155 C SER A 10 -2.877 2.962 5.911 1.00 0.00 C ATOM 156 O SER A 10 -3.713 3.041 6.803 1.00 0.00 O ATOM 157 CB SER A 10 -0.590 2.935 6.738 1.00 0.00 C ATOM 158 OG SER A 10 -1.085 2.566 8.027 1.00 0.00 O ATOM 0 H SER A 10 -1.641 4.723 7.809 1.00 0.00 H new ATOM 0 HA SER A 10 -1.258 3.995 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.352 2.040 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.336 3.500 6.845 1.00 0.00 H new ATOM 0 HG SER A 10 -0.412 2.028 8.494 1.00 0.00 H new ATOM 164 N CYS A 11 -3.038 2.200 4.871 1.00 0.00 N ATOM 165 CA CYS A 11 -4.234 1.412 4.745 1.00 0.00 C ATOM 166 C CYS A 11 -3.950 0.235 3.811 1.00 0.00 C ATOM 167 O CYS A 11 -2.826 0.093 3.321 1.00 0.00 O ATOM 168 CB CYS A 11 -5.413 2.282 4.230 1.00 0.00 C ATOM 169 SG CYS A 11 -5.585 2.373 2.436 1.00 0.00 S ATOM 0 H CYS A 11 -2.370 2.105 4.106 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.529 1.026 5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.340 1.890 4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.292 3.293 4.618 1.00 0.00 H new ATOM 174 N ALA A 12 -4.925 -0.606 3.582 1.00 0.00 N ATOM 175 CA ALA A 12 -4.762 -1.725 2.700 1.00 0.00 C ATOM 176 C ALA A 12 -5.880 -1.705 1.695 1.00 0.00 C ATOM 177 O ALA A 12 -7.050 -1.622 2.074 1.00 0.00 O ATOM 178 CB ALA A 12 -4.769 -3.028 3.486 1.00 0.00 C ATOM 0 H ALA A 12 -5.851 -0.532 4.002 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.804 -1.655 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.644 -3.867 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.951 -3.023 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.717 -3.129 4.014 1.00 0.00 H new ATOM 184 N CYS A 13 -5.534 -1.724 0.430 1.00 0.00 N ATOM 185 CA CYS A 13 -6.505 -1.716 -0.616 1.00 0.00 C ATOM 186 C CYS A 13 -7.350 -2.988 -0.595 1.00 0.00 C ATOM 187 O CYS A 13 -6.837 -4.085 -0.421 1.00 0.00 O ATOM 188 CB CYS A 13 -5.806 -1.488 -1.952 1.00 0.00 C ATOM 189 SG CYS A 13 -4.964 0.149 -2.048 1.00 0.00 S ATOM 0 H CYS A 13 -4.567 -1.745 0.106 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.204 -0.894 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.073 -2.278 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.537 -1.563 -2.757 1.00 0.00 H new ATOM 194 N ASN A 14 -8.665 -2.798 -0.731 1.00 0.00 N ATOM 195 CA ASN A 14 -9.670 -3.881 -0.691 1.00 0.00 C ATOM 196 C ASN A 14 -9.461 -4.839 -1.868 1.00 0.00 C ATOM 197 O ASN A 14 -9.890 -5.987 -1.842 1.00 0.00 O ATOM 198 CB ASN A 14 -11.079 -3.242 -0.773 1.00 0.00 C ATOM 199 CG ASN A 14 -12.285 -4.149 -0.396 1.00 0.00 C ATOM 200 OD1 ASN A 14 -13.284 -3.655 0.093 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.216 -5.437 -0.627 1.00 0.00 N ATOM 0 H ASN A 14 -9.075 -1.875 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.569 -4.448 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.094 -2.369 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.230 -2.882 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.006 -6.040 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.372 -5.837 -1.037 1.00 0.00 H new ATOM 208 N GLU A 15 -8.823 -4.349 -2.890 1.00 0.00 N ATOM 209 CA GLU A 15 -8.542 -5.102 -4.041 1.00 0.00 C ATOM 210 C GLU A 15 -7.312 -6.003 -3.746 1.00 0.00 C ATOM 211 O GLU A 15 -6.367 -5.565 -3.087 1.00 0.00 O ATOM 212 CB GLU A 15 -8.343 -4.134 -5.230 1.00 0.00 C ATOM 213 CG GLU A 15 -8.344 -4.757 -6.624 1.00 0.00 C ATOM 214 CD GLU A 15 -7.137 -5.585 -6.856 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.050 -5.017 -6.823 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.256 -6.816 -6.984 1.00 0.00 O ATOM 0 H GLU A 15 -8.482 -3.389 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.363 -5.765 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.130 -3.381 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.396 -3.612 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.236 -5.371 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.394 -3.968 -7.375 1.00 0.00 H new ATOM 223 N THR A 16 -7.354 -7.228 -4.239 1.00 0.00 N ATOM 224 CA THR A 16 -6.342 -8.245 -3.997 1.00 0.00 C ATOM 225 C THR A 16 -4.944 -7.828 -4.427 1.00 0.00 C ATOM 226 O THR A 16 -4.004 -7.879 -3.623 1.00 0.00 O ATOM 227 CB THR A 16 -6.721 -9.556 -4.708 1.00 0.00 C ATOM 228 OG1 THR A 16 -7.966 -10.037 -4.163 1.00 0.00 O ATOM 229 CG2 THR A 16 -5.634 -10.619 -4.523 1.00 0.00 C ATOM 0 H THR A 16 -8.114 -7.554 -4.836 1.00 0.00 H new ATOM 0 HA THR A 16 -6.315 -8.389 -2.917 1.00 0.00 H new ATOM 0 HB THR A 16 -6.824 -9.361 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.889 -10.113 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.929 -11.534 -5.036 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.695 -10.256 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.503 -10.825 -3.461 1.00 0.00 H new ATOM 237 N ASP A 17 -4.806 -7.392 -5.640 1.00 0.00 N ATOM 238 CA ASP A 17 -3.495 -7.079 -6.169 1.00 0.00 C ATOM 239 C ASP A 17 -2.941 -5.847 -5.465 1.00 0.00 C ATOM 240 O ASP A 17 -1.750 -5.787 -5.084 1.00 0.00 O ATOM 241 CB ASP A 17 -3.574 -6.811 -7.668 1.00 0.00 C ATOM 242 CG ASP A 17 -2.240 -6.413 -8.308 1.00 0.00 C ATOM 243 OD1 ASP A 17 -1.890 -5.216 -8.306 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.493 -7.294 -8.808 1.00 0.00 O ATOM 0 H ASP A 17 -5.578 -7.241 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.837 -7.931 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.950 -7.705 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.300 -6.018 -7.846 1.00 0.00 H new ATOM 249 N ASN A 18 -3.817 -4.880 -5.245 1.00 0.00 N ATOM 250 CA ASN A 18 -3.450 -3.629 -4.636 1.00 0.00 C ATOM 251 C ASN A 18 -3.168 -3.750 -3.175 1.00 0.00 C ATOM 252 O ASN A 18 -2.531 -2.887 -2.594 1.00 0.00 O ATOM 253 CB ASN A 18 -4.468 -2.538 -4.924 1.00 0.00 C ATOM 254 CG ASN A 18 -4.343 -1.973 -6.332 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.671 -0.968 -6.544 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.925 -2.634 -7.300 1.00 0.00 N ATOM 0 H ASN A 18 -4.805 -4.949 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.511 -3.332 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.472 -2.939 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.344 -1.732 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.827 -2.317 -8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.477 -3.466 -7.090 1.00 0.00 H new ATOM 263 N SER A 19 -3.552 -4.853 -2.585 1.00 0.00 N ATOM 264 CA SER A 19 -3.279 -5.055 -1.157 1.00 0.00 C ATOM 265 C SER A 19 -1.800 -5.453 -0.935 1.00 0.00 C ATOM 266 O SER A 19 -1.359 -5.761 0.195 1.00 0.00 O ATOM 267 CB SER A 19 -4.262 -6.058 -0.506 1.00 0.00 C ATOM 268 OG SER A 19 -4.177 -7.355 -1.067 1.00 0.00 O ATOM 0 H SER A 19 -4.045 -5.618 -3.045 1.00 0.00 H new ATOM 0 HA SER A 19 -3.446 -4.104 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.059 -6.116 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.280 -5.685 -0.617 1.00 0.00 H new ATOM 0 HG SER A 19 -4.219 -7.292 -2.044 1.00 0.00 H new ATOM 274 N CYS A 20 -1.055 -5.446 -2.025 1.00 0.00 N ATOM 275 CA CYS A 20 0.360 -5.719 -2.041 1.00 0.00 C ATOM 276 C CYS A 20 1.174 -4.460 -2.254 1.00 0.00 C ATOM 277 O CYS A 20 2.396 -4.503 -2.384 1.00 0.00 O ATOM 278 CB CYS A 20 0.665 -6.722 -3.116 1.00 0.00 C ATOM 279 SG CYS A 20 0.025 -8.353 -2.748 1.00 0.00 S ATOM 0 H CYS A 20 -1.435 -5.243 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 20 0.637 -6.125 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.243 -6.376 -4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.745 -6.783 -3.253 1.00 0.00 H new ATOM 284 N LYS A 21 0.517 -3.349 -2.305 1.00 0.00 N ATOM 285 CA LYS A 21 1.167 -2.094 -2.454 1.00 0.00 C ATOM 286 C LYS A 21 0.815 -1.260 -1.329 1.00 0.00 C ATOM 287 O LYS A 21 -0.120 -1.553 -0.576 1.00 0.00 O ATOM 288 CB LYS A 21 0.828 -1.418 -3.789 1.00 0.00 C ATOM 289 CG LYS A 21 1.326 -2.139 -5.056 1.00 0.00 C ATOM 290 CD LYS A 21 0.473 -3.356 -5.422 1.00 0.00 C ATOM 291 CE LYS A 21 1.079 -4.151 -6.569 1.00 0.00 C ATOM 292 NZ LYS A 21 0.253 -5.327 -6.924 1.00 0.00 N ATOM 0 H LYS A 21 -0.499 -3.289 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 21 2.245 -2.252 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.255 -1.314 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.245 -0.411 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.327 -1.438 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.358 -2.457 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.368 -4.001 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.529 -3.027 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.186 -3.506 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.080 -4.481 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.861 -6.070 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.219 -5.690 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.463 -5.049 -7.625 1.00 0.00 H new ATOM 306 N VAL A 22 1.597 -0.282 -1.175 1.00 0.00 N ATOM 307 CA VAL A 22 1.463 0.618 -0.138 1.00 0.00 C ATOM 308 C VAL A 22 0.322 1.501 -0.393 1.00 0.00 C ATOM 309 O VAL A 22 0.351 2.340 -1.262 1.00 0.00 O ATOM 310 CB VAL A 22 2.742 1.401 0.041 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.542 2.508 1.071 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.852 0.404 0.433 1.00 0.00 C ATOM 0 H VAL A 22 2.380 -0.083 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 22 1.273 0.079 0.790 1.00 0.00 H new ATOM 0 HB VAL A 22 3.036 1.901 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.471 3.065 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.756 3.182 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.256 2.068 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.791 0.940 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.581 -0.096 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.970 -0.338 -0.357 1.00 0.00 H new ATOM 322 N CYS A 23 -0.684 1.233 0.288 1.00 0.00 N ATOM 323 CA CYS A 23 -1.844 2.039 0.235 1.00 0.00 C ATOM 324 C CYS A 23 -1.851 2.924 1.445 1.00 0.00 C ATOM 325 O CYS A 23 -1.385 2.535 2.532 1.00 0.00 O ATOM 326 CB CYS A 23 -3.113 1.222 0.185 1.00 0.00 C ATOM 327 SG CYS A 23 -3.164 -0.098 -1.101 1.00 0.00 S ATOM 0 H CYS A 23 -0.751 0.435 0.920 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.816 2.628 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.264 0.759 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.952 1.898 0.019 1.00 0.00 H new ATOM 332 N CYS A 24 -2.357 4.082 1.283 1.00 0.00 N ATOM 333 CA CYS A 24 -2.372 5.045 2.295 1.00 0.00 C ATOM 334 C CYS A 24 -3.739 5.647 2.280 1.00 0.00 C ATOM 335 O CYS A 24 -4.545 5.300 1.405 1.00 0.00 O ATOM 336 CB CYS A 24 -1.233 6.056 2.055 1.00 0.00 C ATOM 337 SG CYS A 24 0.410 5.225 2.029 1.00 0.00 S ATOM 0 H CYS A 24 -2.786 4.391 0.411 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.187 4.633 3.287 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.396 6.572 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.246 6.814 2.838 1.00 0.00 H new ATOM 342 N ARG A 25 -4.045 6.486 3.199 1.00 0.00 N ATOM 343 CA ARG A 25 -5.351 6.968 3.278 1.00 0.00 C ATOM 344 C ARG A 25 -5.352 8.387 2.855 1.00 0.00 C ATOM 345 O ARG A 25 -4.344 9.077 2.986 1.00 0.00 O ATOM 346 CB ARG A 25 -5.858 6.835 4.674 1.00 0.00 C ATOM 347 CG ARG A 25 -7.241 6.269 4.762 1.00 0.00 C ATOM 348 CD ARG A 25 -7.820 6.599 6.087 1.00 0.00 C ATOM 349 NE ARG A 25 -9.162 6.037 6.289 1.00 0.00 N ATOM 350 CZ ARG A 25 -9.675 5.721 7.484 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.884 5.605 8.551 1.00 0.00 N ATOM 352 NH2 ARG A 25 -10.980 5.435 7.585 1.00 0.00 N ATOM 0 H ARG A 25 -3.401 6.847 3.902 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.007 6.392 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.178 6.197 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.845 7.815 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.865 6.677 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.214 5.188 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.157 6.228 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.867 7.683 6.196 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.741 5.877 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.880 5.757 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.283 5.364 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.573 5.459 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.380 5.193 8.491 1.00 0.00 H new ATOM 366 N ASP A 26 -6.448 8.815 2.369 1.00 0.00 N ATOM 367 CA ASP A 26 -6.587 10.115 1.855 1.00 0.00 C ATOM 368 C ASP A 26 -7.447 10.923 2.802 1.00 0.00 C ATOM 369 O ASP A 26 -7.877 10.432 3.843 1.00 0.00 O ATOM 370 CB ASP A 26 -7.195 10.063 0.430 1.00 0.00 C ATOM 371 CG ASP A 26 -8.713 10.184 0.376 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.429 9.230 0.672 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.209 11.266 0.024 1.00 0.00 O ATOM 0 H ASP A 26 -7.298 8.254 2.316 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.612 10.596 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.760 10.866 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.903 9.124 -0.040 1.00 0.00 H new ATOM 378 N LEU A 27 -7.689 12.117 2.414 1.00 0.00 N ATOM 379 CA LEU A 27 -8.426 13.111 3.151 1.00 0.00 C ATOM 380 C LEU A 27 -9.876 12.691 3.392 1.00 0.00 C ATOM 381 O LEU A 27 -10.468 13.030 4.404 1.00 0.00 O ATOM 382 CB LEU A 27 -8.410 14.463 2.419 1.00 0.00 C ATOM 383 CG LEU A 27 -7.065 14.922 1.838 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.899 14.456 0.388 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.898 16.427 1.960 1.00 0.00 C ATOM 0 H LEU A 27 -7.362 12.465 1.513 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.930 13.211 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.133 14.417 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.759 15.228 3.112 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.274 14.456 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.937 14.796 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.941 13.368 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.701 14.872 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.936 16.722 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.700 16.927 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.938 16.714 3.011 1.00 0.00 H new ATOM 397 N SER A 28 -10.423 11.946 2.459 1.00 0.00 N ATOM 398 CA SER A 28 -11.770 11.486 2.540 1.00 0.00 C ATOM 399 C SER A 28 -11.802 10.144 3.262 1.00 0.00 C ATOM 400 O SER A 28 -12.857 9.520 3.424 1.00 0.00 O ATOM 401 CB SER A 28 -12.386 11.396 1.133 1.00 0.00 C ATOM 402 OG SER A 28 -13.728 10.938 1.159 1.00 0.00 O ATOM 0 H SER A 28 -9.931 11.645 1.618 1.00 0.00 H new ATOM 0 HA SER A 28 -12.371 12.194 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.349 12.377 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.787 10.723 0.519 1.00 0.00 H new ATOM 0 HG SER A 28 -13.859 10.353 1.934 1.00 0.00 H new ATOM 408 N GLY A 29 -10.635 9.715 3.678 1.00 0.00 N ATOM 409 CA GLY A 29 -10.479 8.537 4.420 1.00 0.00 C ATOM 410 C GLY A 29 -10.627 7.257 3.619 1.00 0.00 C ATOM 411 O GLY A 29 -10.974 6.209 4.183 1.00 0.00 O ATOM 0 H GLY A 29 -9.760 10.205 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.494 8.546 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.213 8.532 5.226 1.00 0.00 H new ATOM 415 N ARG A 30 -10.345 7.316 2.349 1.00 0.00 N ATOM 416 CA ARG A 30 -10.433 6.161 1.487 1.00 0.00 C ATOM 417 C ARG A 30 -9.047 5.578 1.281 1.00 0.00 C ATOM 418 O ARG A 30 -8.046 6.187 1.676 1.00 0.00 O ATOM 419 CB ARG A 30 -10.979 6.602 0.149 1.00 0.00 C ATOM 420 CG ARG A 30 -12.304 7.313 0.245 1.00 0.00 C ATOM 421 CD ARG A 30 -12.561 8.112 -1.000 1.00 0.00 C ATOM 422 NE ARG A 30 -11.557 9.178 -1.180 1.00 0.00 N ATOM 423 CZ ARG A 30 -11.568 10.095 -2.154 1.00 0.00 C ATOM 424 NH1 ARG A 30 -12.465 10.015 -3.144 1.00 0.00 N ATOM 425 NH2 ARG A 30 -10.692 11.093 -2.134 1.00 0.00 N ATOM 0 H ARG A 30 -10.046 8.168 1.875 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.083 5.411 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.256 7.262 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.090 5.729 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.104 6.587 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.309 7.971 1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.549 7.450 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.556 8.554 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.792 9.219 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.143 9.253 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.471 10.716 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.012 11.160 -1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.699 11.793 -2.876 1.00 0.00 H new ATOM 439 N CYS A 31 -8.992 4.422 0.672 1.00 0.00 N ATOM 440 CA CYS A 31 -7.737 3.792 0.358 1.00 0.00 C ATOM 441 C CYS A 31 -7.242 4.193 -0.983 1.00 0.00 C ATOM 442 O CYS A 31 -7.943 4.056 -1.988 1.00 0.00 O ATOM 443 CB CYS A 31 -7.804 2.281 0.467 1.00 0.00 C ATOM 444 SG CYS A 31 -7.473 1.689 2.130 1.00 0.00 S ATOM 0 H CYS A 31 -9.814 3.892 0.381 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.026 4.144 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.792 1.942 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.084 1.839 -0.221 1.00 0.00 H new ATOM 449 N VAL A 32 -6.052 4.681 -0.994 1.00 0.00 N ATOM 450 CA VAL A 32 -5.409 5.094 -2.151 1.00 0.00 C ATOM 451 C VAL A 32 -3.987 4.525 -2.168 1.00 0.00 C ATOM 452 O VAL A 32 -3.247 4.689 -1.199 1.00 0.00 O ATOM 453 CB VAL A 32 -5.427 6.655 -2.303 1.00 0.00 C ATOM 454 CG1 VAL A 32 -4.897 7.360 -1.046 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.654 7.100 -3.542 1.00 0.00 C ATOM 0 H VAL A 32 -5.492 4.801 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.948 4.706 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.469 6.950 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.927 8.439 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.518 7.094 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.869 7.048 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.685 8.187 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.618 6.771 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.106 6.660 -4.431 1.00 0.00 H new ATOM 465 N PRO A 33 -3.623 3.763 -3.216 1.00 0.00 N ATOM 466 CA PRO A 33 -2.257 3.263 -3.376 1.00 0.00 C ATOM 467 C PRO A 33 -1.316 4.449 -3.456 1.00 0.00 C ATOM 468 O PRO A 33 -1.552 5.371 -4.246 1.00 0.00 O ATOM 469 CB PRO A 33 -2.291 2.528 -4.727 1.00 0.00 C ATOM 470 CG PRO A 33 -3.727 2.226 -4.966 1.00 0.00 C ATOM 471 CD PRO A 33 -4.502 3.335 -4.316 1.00 0.00 C ATOM 0 HA PRO A 33 -1.924 2.621 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.880 3.148 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.696 1.615 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.942 2.175 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.998 1.260 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.700 4.149 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.468 2.989 -3.948 1.00 0.00 H new ATOM 479 N TYR A 34 -0.295 4.465 -2.629 1.00 0.00 N ATOM 480 CA TYR A 34 0.584 5.593 -2.599 1.00 0.00 C ATOM 481 C TYR A 34 1.394 5.807 -3.843 1.00 0.00 C ATOM 482 O TYR A 34 2.136 4.938 -4.315 1.00 0.00 O ATOM 483 CB TYR A 34 1.429 5.693 -1.313 1.00 0.00 C ATOM 484 CG TYR A 34 2.753 6.466 -1.455 1.00 0.00 C ATOM 485 CD1 TYR A 34 2.800 7.803 -1.868 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.955 5.837 -1.205 1.00 0.00 C ATOM 487 CE1 TYR A 34 3.986 8.445 -2.031 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.158 6.503 -1.358 1.00 0.00 C ATOM 489 CZ TYR A 34 5.164 7.803 -1.779 1.00 0.00 C ATOM 490 OH TYR A 34 6.356 8.465 -1.955 1.00 0.00 O ATOM 0 H TYR A 34 -0.061 3.715 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.104 6.438 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.829 6.172 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.652 4.684 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.878 8.332 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.957 4.806 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.997 9.473 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.088 5.998 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 34 6.192 9.319 -2.408 1.00 0.00 H new ATOM 500 N VAL A 35 1.182 6.972 -4.377 1.00 0.00 N ATOM 501 CA VAL A 35 1.936 7.547 -5.373 1.00 0.00 C ATOM 502 C VAL A 35 1.812 8.985 -5.095 1.00 0.00 C ATOM 503 O VAL A 35 0.713 9.451 -4.771 1.00 0.00 O ATOM 504 CB VAL A 35 1.389 7.402 -6.784 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.469 6.993 -7.720 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.137 6.551 -6.890 1.00 0.00 C ATOM 0 H VAL A 35 0.408 7.567 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 35 2.923 7.085 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 35 1.041 8.389 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.061 6.894 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.255 7.748 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.884 6.037 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.183 6.502 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.349 5.545 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.656 6.994 -6.287 1.00 0.00 H new ATOM 516 N ASP A 36 2.863 9.671 -5.133 1.00 0.00 N ATOM 517 CA ASP A 36 2.784 11.058 -5.055 1.00 0.00 C ATOM 518 C ASP A 36 3.049 11.619 -6.354 1.00 0.00 C ATOM 519 O ASP A 36 3.004 10.903 -7.359 1.00 0.00 O ATOM 520 CB ASP A 36 3.480 11.682 -3.832 1.00 0.00 C ATOM 521 CG ASP A 36 4.959 11.836 -3.886 1.00 0.00 C ATOM 522 OD1 ASP A 36 5.407 12.889 -4.329 1.00 0.00 O ATOM 523 OD2 ASP A 36 5.688 10.953 -3.408 1.00 0.00 O ATOM 0 H ASP A 36 3.806 9.292 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 36 1.763 11.355 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.045 12.667 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.237 11.074 -2.961 1.00 0.00 H new ATOM 528 N ALA A 37 3.293 12.809 -6.361 1.00 0.00 N ATOM 529 CA ALA A 37 3.109 13.623 -7.476 1.00 0.00 C ATOM 530 C ALA A 37 3.845 13.251 -8.772 1.00 0.00 C ATOM 531 O ALA A 37 3.320 13.486 -9.862 1.00 0.00 O ATOM 532 CB ALA A 37 3.336 14.970 -7.019 1.00 0.00 C ATOM 0 H ALA A 37 3.653 13.307 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 37 2.091 13.479 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.207 15.663 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.623 15.212 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.350 15.056 -6.630 1.00 0.00 H new ATOM 538 N GLU A 38 5.012 12.671 -8.679 1.00 0.00 N ATOM 539 CA GLU A 38 5.725 12.306 -9.815 1.00 0.00 C ATOM 540 C GLU A 38 5.705 10.818 -10.028 1.00 0.00 C ATOM 541 O GLU A 38 6.459 10.277 -10.852 1.00 0.00 O ATOM 542 CB GLU A 38 7.077 12.814 -9.695 1.00 0.00 C ATOM 543 CG GLU A 38 8.002 12.047 -8.785 1.00 0.00 C ATOM 544 CD GLU A 38 7.760 12.301 -7.361 1.00 0.00 C ATOM 545 OE1 GLU A 38 6.822 11.701 -6.805 1.00 0.00 O ATOM 546 OE2 GLU A 38 8.509 13.065 -6.745 1.00 0.00 O ATOM 0 H GLU A 38 5.474 12.449 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 38 5.253 12.743 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.521 12.841 -10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.025 13.844 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.890 10.981 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.033 12.308 -9.023 1.00 0.00 H new ATOM 553 N GLN A 39 4.812 10.191 -9.306 1.00 0.00 N ATOM 554 CA GLN A 39 4.545 8.836 -9.341 1.00 0.00 C ATOM 555 C GLN A 39 5.553 7.950 -8.599 1.00 0.00 C ATOM 556 O GLN A 39 5.907 6.867 -9.074 1.00 0.00 O ATOM 557 CB GLN A 39 4.240 8.414 -10.730 1.00 0.00 C ATOM 558 CG GLN A 39 2.931 8.987 -11.222 1.00 0.00 C ATOM 559 CD GLN A 39 2.672 8.703 -12.679 1.00 0.00 C ATOM 560 OE1 GLN A 39 2.069 7.702 -13.033 1.00 0.00 O ATOM 561 NE2 GLN A 39 3.130 9.577 -13.538 1.00 0.00 N ATOM 0 H GLN A 39 4.223 10.685 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 39 3.647 8.671 -8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.046 8.733 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.200 7.326 -10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.115 8.576 -10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.930 10.065 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.630 10.403 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.987 9.433 -14.538 1.00 0.00 H new ATOM 570 N LYS A 40 5.990 8.390 -7.402 1.00 0.00 N ATOM 571 CA LYS A 40 6.745 7.500 -6.542 1.00 0.00 C ATOM 572 C LYS A 40 5.799 6.512 -5.992 1.00 0.00 C ATOM 573 O LYS A 40 4.726 6.874 -5.553 1.00 0.00 O ATOM 574 CB LYS A 40 7.295 8.165 -5.338 1.00 0.00 C ATOM 575 CG LYS A 40 8.300 9.220 -5.543 1.00 0.00 C ATOM 576 CD LYS A 40 8.820 9.676 -4.183 1.00 0.00 C ATOM 577 CE LYS A 40 9.167 11.149 -4.155 1.00 0.00 C ATOM 578 NZ LYS A 40 7.971 11.978 -4.375 1.00 0.00 N ATOM 0 H LYS A 40 5.833 9.327 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 40 7.556 7.098 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.462 8.597 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.738 7.398 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.121 8.845 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.860 10.061 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.067 9.470 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.704 9.094 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.617 11.402 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.910 11.366 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.213 12.781 -4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.231 11.406 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.623 12.334 -3.462 1.00 0.00 H new ATOM 592 N ASN A 41 6.188 5.321 -5.954 1.00 0.00 N ATOM 593 CA ASN A 41 5.345 4.294 -5.475 1.00 0.00 C ATOM 594 C ASN A 41 6.158 3.414 -4.562 1.00 0.00 C ATOM 595 O ASN A 41 7.383 3.556 -4.484 1.00 0.00 O ATOM 596 CB ASN A 41 4.878 3.507 -6.664 1.00 0.00 C ATOM 597 CG ASN A 41 3.772 2.479 -6.385 1.00 0.00 C ATOM 598 OD1 ASN A 41 4.037 1.313 -6.126 1.00 0.00 O ATOM 599 ND2 ASN A 41 2.545 2.915 -6.396 1.00 0.00 N ATOM 0 H ASN A 41 7.111 5.009 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 41 4.488 4.690 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.519 4.204 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.734 2.986 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.776 2.279 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.353 3.892 -6.615 1.00 0.00 H new ATOM 606 N LEU A 42 5.504 2.499 -3.935 1.00 0.00 N ATOM 607 CA LEU A 42 6.110 1.589 -3.001 1.00 0.00 C ATOM 608 C LEU A 42 5.389 0.270 -3.047 1.00 0.00 C ATOM 609 O LEU A 42 4.154 0.205 -2.888 1.00 0.00 O ATOM 610 CB LEU A 42 6.009 2.076 -1.565 1.00 0.00 C ATOM 611 CG LEU A 42 6.681 3.361 -1.160 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.283 3.665 0.273 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.196 3.239 -1.269 1.00 0.00 C ATOM 0 H LEU A 42 4.502 2.351 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 42 7.158 1.506 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.949 2.175 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.405 1.287 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 42 6.367 4.167 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.757 4.593 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.200 3.770 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.606 2.850 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.659 4.180 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.545 2.440 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.469 3.010 -2.299 1.00 0.00 H new ATOM 625 N PHE A 43 6.123 -0.758 -3.267 1.00 0.00 N ATOM 626 CA PHE A 43 5.631 -2.046 -3.191 1.00 0.00 C ATOM 627 C PHE A 43 5.833 -2.532 -1.754 1.00 0.00 C ATOM 628 O PHE A 43 6.860 -2.200 -1.130 1.00 0.00 O ATOM 629 CB PHE A 43 6.383 -2.914 -4.192 1.00 0.00 C ATOM 630 CG PHE A 43 5.929 -4.337 -4.239 1.00 0.00 C ATOM 631 CD1 PHE A 43 4.718 -4.661 -4.809 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.709 -5.348 -3.711 1.00 0.00 C ATOM 633 CE1 PHE A 43 4.287 -5.961 -4.850 1.00 0.00 C ATOM 634 CE2 PHE A 43 6.285 -6.655 -3.747 1.00 0.00 C ATOM 635 CZ PHE A 43 5.070 -6.964 -4.318 1.00 0.00 C ATOM 0 H PHE A 43 7.112 -0.704 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 43 4.570 -2.095 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.275 -2.478 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.445 -2.892 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.100 -3.881 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.663 -5.108 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.334 -6.200 -5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.902 -7.437 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.731 -7.989 -4.349 1.00 0.00 H new ATOM 645 N LEU A 44 4.855 -3.245 -1.217 1.00 0.00 N ATOM 646 CA LEU A 44 4.914 -3.809 0.092 1.00 0.00 C ATOM 647 C LEU A 44 5.955 -4.930 0.209 1.00 0.00 C ATOM 648 O LEU A 44 6.787 -5.144 -0.667 1.00 0.00 O ATOM 649 CB LEU A 44 3.547 -4.326 0.550 1.00 0.00 C ATOM 650 CG LEU A 44 2.530 -3.279 0.995 1.00 0.00 C ATOM 651 CD1 LEU A 44 1.212 -3.944 1.273 1.00 0.00 C ATOM 652 CD2 LEU A 44 3.006 -2.572 2.248 1.00 0.00 C ATOM 0 H LEU A 44 3.982 -3.444 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 44 5.223 -2.995 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.109 -4.899 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.705 -5.019 1.376 1.00 0.00 H new ATOM 0 HG LEU A 44 2.416 -2.545 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.486 -3.195 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.854 -4.435 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.338 -4.685 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.267 -1.829 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.137 -3.300 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.957 -2.078 2.048 1.00 0.00 H new ATOM 664 N ARG A 45 5.983 -5.554 1.337 1.00 0.00 N ATOM 665 CA ARG A 45 6.811 -6.683 1.549 1.00 0.00 C ATOM 666 C ARG A 45 6.007 -7.967 1.339 1.00 0.00 C ATOM 667 O ARG A 45 4.772 -7.929 1.314 1.00 0.00 O ATOM 668 CB ARG A 45 7.394 -6.605 2.931 1.00 0.00 C ATOM 669 CG ARG A 45 8.296 -5.390 3.149 1.00 0.00 C ATOM 670 CD ARG A 45 9.450 -5.338 2.145 1.00 0.00 C ATOM 671 NE ARG A 45 10.089 -4.017 2.126 1.00 0.00 N ATOM 672 CZ ARG A 45 9.821 -3.070 1.199 1.00 0.00 C ATOM 673 NH1 ARG A 45 8.937 -3.320 0.226 1.00 0.00 N ATOM 674 NH2 ARG A 45 10.437 -1.883 1.248 1.00 0.00 N ATOM 0 H ARG A 45 5.422 -5.288 2.146 1.00 0.00 H new ATOM 0 HA ARG A 45 7.631 -6.694 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.582 -6.579 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.967 -7.512 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.703 -4.480 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.699 -5.416 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.190 -6.097 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.078 -5.577 1.149 1.00 0.00 H new ATOM 0 HE ARG A 45 10.773 -3.802 2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.466 -4.224 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.734 -2.607 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.112 -1.689 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.231 -1.172 0.546 1.00 0.00 H new ATOM 688 N LYS A 46 6.696 -9.086 1.203 1.00 0.00 N ATOM 689 CA LYS A 46 6.031 -10.349 0.928 1.00 0.00 C ATOM 690 C LYS A 46 5.620 -11.057 2.208 1.00 0.00 C ATOM 691 O LYS A 46 6.173 -10.797 3.271 1.00 0.00 O ATOM 692 CB LYS A 46 6.873 -11.283 0.041 1.00 0.00 C ATOM 693 CG LYS A 46 8.238 -11.686 0.603 1.00 0.00 C ATOM 694 CD LYS A 46 8.813 -12.874 -0.173 1.00 0.00 C ATOM 695 CE LYS A 46 9.052 -12.556 -1.648 1.00 0.00 C ATOM 696 NZ LYS A 46 9.200 -13.795 -2.451 1.00 0.00 N ATOM 0 H LYS A 46 7.711 -9.147 1.278 1.00 0.00 H new ATOM 0 HA LYS A 46 5.129 -10.098 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.298 -12.189 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.027 -10.796 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.924 -10.841 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.140 -11.946 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.753 -13.181 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.129 -13.719 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.220 -11.967 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.949 -11.945 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.140 -13.562 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.123 -14.231 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.441 -14.462 -2.204 1.00 0.00 H new ATOM 710 N GLY A 47 4.631 -11.930 2.080 1.00 0.00 N ATOM 711 CA GLY A 47 4.062 -12.659 3.192 1.00 0.00 C ATOM 712 C GLY A 47 3.191 -11.759 4.011 1.00 0.00 C ATOM 713 O GLY A 47 2.778 -12.103 5.105 1.00 0.00 O ATOM 0 H GLY A 47 4.198 -12.151 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.479 -13.503 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.859 -13.069 3.813 1.00 0.00 H new ATOM 717 N LYS A 48 2.895 -10.598 3.457 1.00 0.00 N ATOM 718 CA LYS A 48 2.101 -9.619 4.132 1.00 0.00 C ATOM 719 C LYS A 48 0.639 -9.963 3.903 1.00 0.00 C ATOM 720 O LYS A 48 0.186 -9.912 2.749 1.00 0.00 O ATOM 721 CB LYS A 48 2.422 -8.243 3.533 1.00 0.00 C ATOM 722 CG LYS A 48 2.081 -7.010 4.415 1.00 0.00 C ATOM 723 CD LYS A 48 0.577 -6.812 4.741 1.00 0.00 C ATOM 724 CE LYS A 48 -0.263 -6.219 3.583 1.00 0.00 C ATOM 725 NZ LYS A 48 -0.361 -7.096 2.379 1.00 0.00 N ATOM 0 H LYS A 48 3.204 -10.318 2.526 1.00 0.00 H new ATOM 0 HA LYS A 48 2.310 -9.604 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.486 -8.212 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.885 -8.147 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.629 -7.095 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.446 -6.114 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.151 -7.774 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.490 -6.157 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.269 -6.012 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.172 -5.264 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.191 -6.820 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.499 -6.992 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.460 -8.087 2.678 1.00 0.00 H new ATOM 739 N PRO A 49 -0.111 -10.300 4.982 1.00 0.00 N ATOM 740 CA PRO A 49 -1.545 -10.646 4.910 1.00 0.00 C ATOM 741 C PRO A 49 -2.332 -9.641 4.073 1.00 0.00 C ATOM 742 O PRO A 49 -2.279 -8.427 4.305 1.00 0.00 O ATOM 743 CB PRO A 49 -1.989 -10.589 6.371 1.00 0.00 C ATOM 744 CG PRO A 49 -0.774 -10.967 7.136 1.00 0.00 C ATOM 745 CD PRO A 49 0.389 -10.387 6.378 1.00 0.00 C ATOM 0 HA PRO A 49 -1.716 -11.612 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.337 -9.592 6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.812 -11.277 6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.814 -10.573 8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.685 -12.050 7.218 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.671 -9.408 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.271 -11.023 6.449 1.00 0.00 H new ATOM 753 N CYS A 50 -2.957 -10.127 3.073 1.00 0.00 N ATOM 754 CA CYS A 50 -3.711 -9.356 2.179 1.00 0.00 C ATOM 755 C CYS A 50 -5.138 -9.863 2.120 1.00 0.00 C ATOM 756 O CYS A 50 -5.569 -10.549 3.037 1.00 0.00 O ATOM 757 CB CYS A 50 -3.004 -9.369 0.845 1.00 0.00 C ATOM 758 SG CYS A 50 -2.148 -10.909 0.489 1.00 0.00 S ATOM 0 H CYS A 50 -2.954 -11.122 2.848 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.786 -8.320 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.733 -9.179 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.285 -8.550 0.818 1.00 0.00 H new ATOM 763 N THR A 51 -5.851 -9.506 1.069 1.00 0.00 N ATOM 764 CA THR A 51 -7.260 -9.814 0.895 1.00 0.00 C ATOM 765 C THR A 51 -7.583 -11.280 1.059 1.00 0.00 C ATOM 766 O THR A 51 -8.421 -11.671 1.866 1.00 0.00 O ATOM 767 CB THR A 51 -7.675 -9.395 -0.523 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.738 -9.950 -1.475 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.640 -7.914 -0.644 1.00 0.00 C ATOM 0 H THR A 51 -5.456 -8.979 0.290 1.00 0.00 H new ATOM 0 HA THR A 51 -7.802 -9.272 1.670 1.00 0.00 H new ATOM 0 HB THR A 51 -8.683 -9.759 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.889 -9.463 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.935 -7.624 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.329 -7.474 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.630 -7.556 -0.445 1.00 0.00 H new ATOM 777 N VAL A 52 -6.941 -12.049 0.262 1.00 0.00 N ATOM 778 CA VAL A 52 -7.215 -13.445 0.172 1.00 0.00 C ATOM 779 C VAL A 52 -6.298 -14.337 1.015 1.00 0.00 C ATOM 780 O VAL A 52 -6.759 -15.313 1.603 1.00 0.00 O ATOM 781 CB VAL A 52 -7.323 -13.889 -1.310 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.533 -13.202 -1.945 1.00 0.00 C ATOM 783 CG2 VAL A 52 -6.066 -13.525 -2.107 1.00 0.00 C ATOM 0 H VAL A 52 -6.198 -11.728 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.190 -13.595 0.635 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.433 -14.973 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.619 -13.507 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.437 -13.488 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.406 -12.121 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.182 -13.853 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.920 -12.445 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.200 -14.017 -1.665 1.00 0.00 H new ATOM 793 N GLY A 53 -5.055 -13.971 1.121 1.00 0.00 N ATOM 794 CA GLY A 53 -4.125 -14.747 1.875 1.00 0.00 C ATOM 795 C GLY A 53 -2.822 -14.017 2.116 1.00 0.00 C ATOM 796 O GLY A 53 -2.779 -13.000 2.847 1.00 0.00 O ATOM 0 H GLY A 53 -4.663 -13.134 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.571 -15.013 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.923 -15.679 1.348 1.00 0.00 H new ATOM 800 N PHE A 54 -1.766 -14.492 1.497 1.00 0.00 N ATOM 801 CA PHE A 54 -0.463 -13.892 1.634 1.00 0.00 C ATOM 802 C PHE A 54 -0.001 -13.374 0.307 1.00 0.00 C ATOM 803 O PHE A 54 -0.365 -13.881 -0.735 1.00 0.00 O ATOM 804 CB PHE A 54 0.573 -14.851 2.232 1.00 0.00 C ATOM 805 CG PHE A 54 0.232 -15.307 3.625 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.530 -14.510 4.718 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.389 -16.527 3.839 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.216 -14.920 5.998 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.706 -16.944 5.116 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.404 -16.139 6.198 1.00 0.00 C ATOM 0 H PHE A 54 -1.788 -15.307 0.884 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.558 -13.064 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.666 -15.723 1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.546 -14.360 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.014 -13.556 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.628 -17.159 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.454 -14.289 6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.189 -17.898 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.652 -16.462 7.198 1.00 0.00 H new ATOM 820 N CYS A 55 0.782 -12.367 0.351 1.00 0.00 N ATOM 821 CA CYS A 55 1.206 -11.694 -0.837 1.00 0.00 C ATOM 822 C CYS A 55 2.636 -11.986 -1.129 1.00 0.00 C ATOM 823 O CYS A 55 3.429 -12.082 -0.214 1.00 0.00 O ATOM 824 CB CYS A 55 1.038 -10.212 -0.626 1.00 0.00 C ATOM 825 SG CYS A 55 1.665 -9.199 -1.973 1.00 0.00 S ATOM 0 H CYS A 55 1.157 -11.974 1.215 1.00 0.00 H new ATOM 0 HA CYS A 55 0.605 -12.038 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.021 -9.994 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.547 -9.928 0.295 1.00 0.00 H new ATOM 830 N ASP A 56 2.988 -12.139 -2.373 1.00 0.00 N ATOM 831 CA ASP A 56 4.391 -12.298 -2.678 1.00 0.00 C ATOM 832 C ASP A 56 4.848 -11.154 -3.630 1.00 0.00 C ATOM 833 O ASP A 56 4.060 -10.270 -3.963 1.00 0.00 O ATOM 834 CB ASP A 56 4.716 -13.711 -3.231 1.00 0.00 C ATOM 835 CG ASP A 56 6.219 -14.042 -3.175 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.695 -14.581 -2.160 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.974 -13.684 -4.112 1.00 0.00 O ATOM 0 H ASP A 56 2.353 -12.158 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 56 4.963 -12.218 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.163 -14.456 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.371 -13.781 -4.263 1.00 0.00 H new ATOM 842 N MET A 57 6.074 -11.230 -4.117 1.00 0.00 N ATOM 843 CA MET A 57 6.765 -10.217 -4.832 1.00 0.00 C ATOM 844 C MET A 57 6.131 -9.873 -6.199 1.00 0.00 C ATOM 845 O MET A 57 6.422 -8.835 -6.780 1.00 0.00 O ATOM 846 CB MET A 57 8.192 -10.714 -4.981 1.00 0.00 C ATOM 847 CG MET A 57 9.087 -9.780 -5.670 1.00 0.00 C ATOM 848 SD MET A 57 10.781 -10.385 -5.765 1.00 0.00 S ATOM 849 CE MET A 57 11.561 -9.041 -6.660 1.00 0.00 C ATOM 0 H MET A 57 6.639 -12.072 -4.005 1.00 0.00 H new ATOM 0 HA MET A 57 6.716 -9.277 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.597 -10.923 -3.991 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.181 -11.658 -5.527 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.712 -9.600 -6.678 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.076 -8.822 -5.150 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.619 -9.263 -6.801 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.082 -8.925 -7.632 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.457 -8.117 -6.092 1.00 0.00 H new ATOM 859 N ASN A 58 5.250 -10.722 -6.691 1.00 0.00 N ATOM 860 CA ASN A 58 4.582 -10.444 -7.973 1.00 0.00 C ATOM 861 C ASN A 58 3.433 -9.443 -7.741 1.00 0.00 C ATOM 862 O ASN A 58 2.832 -8.898 -8.682 1.00 0.00 O ATOM 863 CB ASN A 58 4.060 -11.750 -8.616 1.00 0.00 C ATOM 864 CG ASN A 58 3.556 -11.569 -10.056 1.00 0.00 C ATOM 865 OD1 ASN A 58 2.384 -11.296 -10.300 1.00 0.00 O ATOM 866 ND2 ASN A 58 4.438 -11.736 -11.015 1.00 0.00 N ATOM 0 H ASN A 58 4.976 -11.596 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 58 5.301 -10.005 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.858 -12.492 -8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.250 -12.148 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.155 -11.639 -11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.405 -11.962 -10.784 1.00 0.00 H new ATOM 873 N GLY A 59 3.149 -9.192 -6.471 1.00 0.00 N ATOM 874 CA GLY A 59 2.105 -8.282 -6.104 1.00 0.00 C ATOM 875 C GLY A 59 0.782 -8.952 -6.085 1.00 0.00 C ATOM 876 O GLY A 59 -0.243 -8.302 -6.201 1.00 0.00 O ATOM 0 H GLY A 59 3.638 -9.615 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.316 -7.862 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.082 -7.450 -6.807 1.00 0.00 H new ATOM 880 N LYS A 60 0.818 -10.247 -5.949 1.00 0.00 N ATOM 881 CA LYS A 60 -0.360 -11.075 -5.906 1.00 0.00 C ATOM 882 C LYS A 60 -0.483 -11.672 -4.571 1.00 0.00 C ATOM 883 O LYS A 60 0.493 -11.758 -3.827 1.00 0.00 O ATOM 884 CB LYS A 60 -0.344 -12.173 -6.987 1.00 0.00 C ATOM 885 CG LYS A 60 -0.912 -11.759 -8.353 1.00 0.00 C ATOM 886 CD LYS A 60 -0.268 -10.501 -8.872 1.00 0.00 C ATOM 887 CE LYS A 60 -0.809 -10.079 -10.210 1.00 0.00 C ATOM 888 NZ LYS A 60 -0.278 -8.757 -10.577 1.00 0.00 N ATOM 0 H LYS A 60 1.688 -10.772 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.224 -10.443 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.684 -12.508 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.911 -13.029 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.760 -12.567 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.988 -11.607 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.421 -9.696 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.808 -10.656 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.536 -10.812 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.898 -10.045 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.320 -8.640 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.847 -8.016 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.709 -8.679 -10.260 1.00 0.00 H new ATOM 902 N CYS A 61 -1.644 -12.091 -4.289 1.00 0.00 N ATOM 903 CA CYS A 61 -1.979 -12.598 -3.034 1.00 0.00 C ATOM 904 C CYS A 61 -2.722 -13.869 -3.257 1.00 0.00 C ATOM 905 O CYS A 61 -3.574 -13.941 -4.163 1.00 0.00 O ATOM 906 CB CYS A 61 -2.853 -11.579 -2.368 1.00 0.00 C ATOM 907 SG CYS A 61 -3.413 -11.945 -0.677 1.00 0.00 S ATOM 0 H CYS A 61 -2.418 -12.090 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.109 -12.794 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.313 -10.632 -2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.735 -11.430 -2.991 1.00 0.00 H new ATOM 912 N GLU A 62 -2.375 -14.832 -2.507 1.00 0.00 N ATOM 913 CA GLU A 62 -2.920 -16.122 -2.552 1.00 0.00 C ATOM 914 C GLU A 62 -3.117 -16.623 -1.124 1.00 0.00 C ATOM 915 O GLU A 62 -4.228 -17.058 -0.798 1.00 0.00 O ATOM 916 CB GLU A 62 -2.013 -17.009 -3.404 1.00 0.00 C ATOM 917 CG GLU A 62 -0.575 -17.209 -2.910 1.00 0.00 C ATOM 918 CD GLU A 62 0.280 -17.976 -3.919 1.00 0.00 C ATOM 919 OE1 GLU A 62 0.765 -17.343 -4.898 1.00 0.00 O ATOM 920 OE2 GLU A 62 0.462 -19.212 -3.754 1.00 0.00 O ATOM 921 OXT GLU A 62 -2.188 -16.419 -0.290 1.00 0.00 O ATOM 0 H GLU A 62 -1.651 -14.733 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.902 -16.136 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.481 -17.989 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.971 -16.586 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.121 -16.237 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.589 -17.749 -1.963 1.00 0.00 H new TER 928 GLU A 62