USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 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 -42:sc= 0.0969 USER MOD Set 1.2: A 51 THR OG1 : rot -99:sc= -1.14! USER MOD Set 2.1: A 18 ASN : amide:sc= 2.12 K(o=3.9,f=-15!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -168:sc= 1.77 (180deg=0.152) USER MOD Single : A 1 PHE N :NH3+ 147:sc= -0.367! (180deg=-0.984!) USER MOD Single : A 6 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -105:sc= 1.22 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.252 F(o=-1.6,f=-0.25) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.658 (180deg=-1.31!) USER MOD Single : A 41 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 1.68 (180deg=0.699!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.46 (180deg=0.456) USER MOD Single : A 57 MET CE :methyl -142:sc= -0.0943 (180deg=-0.514) USER MOD Single : A 58 ASN : amide:sc= -1.13! C(o=-1.1!,f=-3.9!) USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 1.46 (180deg=0.708) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 6.019 3.699 5.245 1.00 0.00 N ATOM 2 CA PHE A 1 5.735 3.490 3.818 1.00 0.00 C ATOM 3 C PHE A 1 4.812 4.552 3.266 1.00 0.00 C ATOM 4 O PHE A 1 4.905 4.914 2.108 1.00 0.00 O ATOM 5 CB PHE A 1 5.266 2.064 3.494 1.00 0.00 C ATOM 6 CG PHE A 1 4.177 1.487 4.363 1.00 0.00 C ATOM 7 CD1 PHE A 1 2.845 1.690 4.059 1.00 0.00 C ATOM 8 CD2 PHE A 1 4.495 0.703 5.462 1.00 0.00 C ATOM 9 CE1 PHE A 1 1.853 1.133 4.825 1.00 0.00 C ATOM 10 CE2 PHE A 1 3.502 0.147 6.242 1.00 0.00 C ATOM 11 CZ PHE A 1 2.178 0.361 5.923 1.00 0.00 C ATOM 0 H1 PHE A 1 6.141 2.778 5.713 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.890 4.258 5.347 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.227 4.209 5.686 1.00 0.00 H new ATOM 0 HA PHE A 1 6.687 3.600 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.919 2.048 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 1 6.130 1.402 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 1 2.581 2.296 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 1 5.531 0.526 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 1 0.817 1.298 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 1 3.761 -0.455 7.101 1.00 0.00 H new ATOM 0 HZ PHE A 1 1.397 -0.074 6.530 1.00 0.00 H new ATOM 21 N CYS A 2 3.911 5.012 4.073 1.00 0.00 N ATOM 22 CA CYS A 2 3.141 6.172 3.745 1.00 0.00 C ATOM 23 C CYS A 2 3.030 7.141 4.963 1.00 0.00 C ATOM 24 O CYS A 2 2.940 8.364 4.798 1.00 0.00 O ATOM 25 CB CYS A 2 1.762 5.771 3.229 1.00 0.00 C ATOM 26 SG CYS A 2 0.791 7.167 2.621 1.00 0.00 S ATOM 0 H CYS A 2 3.687 4.596 4.977 1.00 0.00 H new ATOM 0 HA CYS A 2 3.658 6.708 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.880 5.043 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.212 5.277 4.030 1.00 0.00 H new ATOM 31 N GLU A 3 3.134 6.576 6.163 1.00 0.00 N ATOM 32 CA GLU A 3 2.902 7.265 7.455 1.00 0.00 C ATOM 33 C GLU A 3 3.802 8.474 7.673 1.00 0.00 C ATOM 34 O GLU A 3 3.340 9.539 8.032 1.00 0.00 O ATOM 35 CB GLU A 3 3.098 6.317 8.675 1.00 0.00 C ATOM 36 CG GLU A 3 2.869 4.814 8.454 1.00 0.00 C ATOM 37 CD GLU A 3 3.925 4.162 7.570 1.00 0.00 C ATOM 38 OE1 GLU A 3 5.070 3.989 7.982 1.00 0.00 O ATOM 39 OE2 GLU A 3 3.636 3.904 6.394 1.00 0.00 O ATOM 0 H GLU A 3 3.390 5.595 6.280 1.00 0.00 H new ATOM 0 HA GLU A 3 1.866 7.597 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.115 6.451 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.425 6.646 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.855 4.311 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.888 4.666 8.003 1.00 0.00 H new ATOM 46 N ARG A 4 5.076 8.293 7.496 1.00 0.00 N ATOM 47 CA ARG A 4 6.019 9.332 7.769 1.00 0.00 C ATOM 48 C ARG A 4 6.192 10.200 6.544 1.00 0.00 C ATOM 49 O ARG A 4 6.163 11.412 6.610 1.00 0.00 O ATOM 50 CB ARG A 4 7.413 8.783 8.154 1.00 0.00 C ATOM 51 CG ARG A 4 7.510 7.809 9.339 1.00 0.00 C ATOM 52 CD ARG A 4 7.051 6.396 8.973 1.00 0.00 C ATOM 53 NE ARG A 4 7.687 5.927 7.722 1.00 0.00 N ATOM 54 CZ ARG A 4 8.611 4.977 7.604 1.00 0.00 C ATOM 55 NH1 ARG A 4 9.007 4.276 8.674 1.00 0.00 N ATOM 56 NH2 ARG A 4 9.112 4.702 6.393 1.00 0.00 N ATOM 0 H ARG A 4 5.489 7.423 7.159 1.00 0.00 H new ATOM 0 HA ARG A 4 5.621 9.899 8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.827 8.284 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.058 9.635 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.540 7.773 9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.903 8.183 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.295 5.711 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.967 6.382 8.859 1.00 0.00 H new ATOM 0 HE ARG A 4 7.385 6.380 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.600 4.468 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.716 3.550 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.785 5.218 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.821 3.976 6.287 1.00 0.00 H new ATOM 70 N GLU A 5 6.378 9.526 5.445 1.00 0.00 N ATOM 71 CA GLU A 5 6.672 10.081 4.180 1.00 0.00 C ATOM 72 C GLU A 5 5.579 10.973 3.568 1.00 0.00 C ATOM 73 O GLU A 5 5.870 12.054 3.082 1.00 0.00 O ATOM 74 CB GLU A 5 7.120 8.976 3.223 1.00 0.00 C ATOM 75 CG GLU A 5 6.448 7.586 3.337 1.00 0.00 C ATOM 76 CD GLU A 5 6.907 6.725 4.531 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.332 6.837 5.609 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.794 5.869 4.400 1.00 0.00 O ATOM 0 H GLU A 5 6.322 8.508 5.421 1.00 0.00 H new ATOM 0 HA GLU A 5 7.490 10.781 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.967 9.336 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.193 8.838 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.369 7.727 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.639 7.033 2.417 1.00 0.00 H new ATOM 85 N GLN A 6 4.352 10.528 3.601 1.00 0.00 N ATOM 86 CA GLN A 6 3.246 11.309 3.016 1.00 0.00 C ATOM 87 C GLN A 6 2.465 11.925 4.120 1.00 0.00 C ATOM 88 O GLN A 6 1.646 12.817 3.909 1.00 0.00 O ATOM 89 CB GLN A 6 2.270 10.419 2.267 1.00 0.00 C ATOM 90 CG GLN A 6 2.804 9.664 1.090 1.00 0.00 C ATOM 91 CD GLN A 6 3.216 10.557 -0.065 1.00 0.00 C ATOM 92 OE1 GLN A 6 4.341 11.012 -0.157 1.00 0.00 O ATOM 93 NE2 GLN A 6 2.303 10.785 -0.971 1.00 0.00 N ATOM 0 H GLN A 6 4.074 9.640 4.018 1.00 0.00 H new ATOM 0 HA GLN A 6 3.684 12.043 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.858 9.698 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.441 11.038 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.664 9.073 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.045 8.962 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.369 10.389 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.524 11.359 -1.785 1.00 0.00 H new ATOM 102 N GLN A 7 2.696 11.377 5.293 1.00 0.00 N ATOM 103 CA GLN A 7 2.016 11.696 6.502 1.00 0.00 C ATOM 104 C GLN A 7 0.562 11.233 6.461 1.00 0.00 C ATOM 105 O GLN A 7 -0.286 11.660 7.245 1.00 0.00 O ATOM 106 CB GLN A 7 2.200 13.139 6.921 1.00 0.00 C ATOM 107 CG GLN A 7 3.658 13.485 7.104 1.00 0.00 C ATOM 108 CD GLN A 7 3.883 14.920 7.525 1.00 0.00 C ATOM 109 OE1 GLN A 7 4.034 15.814 6.708 1.00 0.00 O ATOM 110 NE2 GLN A 7 3.904 15.151 8.815 1.00 0.00 N ATOM 0 H GLN A 7 3.407 10.657 5.422 1.00 0.00 H new ATOM 0 HA GLN A 7 2.488 11.127 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.762 13.795 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.663 13.319 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.091 12.822 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.188 13.300 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.775 14.382 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.050 16.099 9.161 1.00 0.00 H new ATOM 119 N LEU A 8 0.322 10.303 5.576 1.00 0.00 N ATOM 120 CA LEU A 8 -0.943 9.681 5.421 1.00 0.00 C ATOM 121 C LEU A 8 -0.937 8.447 6.195 1.00 0.00 C ATOM 122 O LEU A 8 0.098 7.806 6.370 1.00 0.00 O ATOM 123 CB LEU A 8 -1.219 9.349 3.972 1.00 0.00 C ATOM 124 CG LEU A 8 -1.428 10.524 3.074 1.00 0.00 C ATOM 125 CD1 LEU A 8 -1.180 10.133 1.614 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.839 11.071 3.237 1.00 0.00 C ATOM 0 H LEU A 8 1.030 9.955 4.929 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.719 10.364 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.385 8.762 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.104 8.715 3.924 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.716 11.301 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.337 11.001 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.155 9.779 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.871 9.341 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.976 11.927 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.561 10.296 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.991 11.382 4.270 1.00 0.00 H new ATOM 138 N GLU A 9 -2.058 8.115 6.644 1.00 0.00 N ATOM 139 CA GLU A 9 -2.215 6.912 7.402 1.00 0.00 C ATOM 140 C GLU A 9 -2.217 5.789 6.399 1.00 0.00 C ATOM 141 O GLU A 9 -2.624 5.977 5.256 1.00 0.00 O ATOM 142 CB GLU A 9 -3.516 6.927 8.164 1.00 0.00 C ATOM 143 CG GLU A 9 -3.570 6.012 9.384 1.00 0.00 C ATOM 144 CD GLU A 9 -4.915 6.102 10.067 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.256 7.185 10.593 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.690 5.134 10.006 1.00 0.00 O ATOM 0 H GLU A 9 -2.914 8.653 6.511 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.415 6.801 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.716 7.948 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.319 6.645 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.380 4.983 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.782 6.288 10.085 1.00 0.00 H new ATOM 153 N SER A 10 -1.726 4.692 6.778 1.00 0.00 N ATOM 154 CA SER A 10 -1.625 3.577 5.944 1.00 0.00 C ATOM 155 C SER A 10 -2.950 2.828 5.826 1.00 0.00 C ATOM 156 O SER A 10 -3.802 2.924 6.703 1.00 0.00 O ATOM 157 CB SER A 10 -0.616 2.731 6.592 1.00 0.00 C ATOM 158 OG SER A 10 -1.002 2.442 7.933 1.00 0.00 O ATOM 0 H SER A 10 -1.366 4.535 7.720 1.00 0.00 H new ATOM 0 HA SER A 10 -1.358 3.861 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.496 1.803 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.350 3.235 6.585 1.00 0.00 H new ATOM 0 HG SER A 10 -0.322 1.876 8.354 1.00 0.00 H new ATOM 164 N CYS A 11 -3.104 2.085 4.760 1.00 0.00 N ATOM 165 CA CYS A 11 -4.258 1.244 4.572 1.00 0.00 C ATOM 166 C CYS A 11 -3.908 0.272 3.471 1.00 0.00 C ATOM 167 O CYS A 11 -2.800 0.319 2.941 1.00 0.00 O ATOM 168 CB CYS A 11 -5.545 2.055 4.207 1.00 0.00 C ATOM 169 SG CYS A 11 -7.079 1.041 4.213 1.00 0.00 S ATOM 0 H CYS A 11 -2.430 2.046 3.995 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.494 0.730 5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.660 2.877 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.417 2.499 3.220 1.00 0.00 H new ATOM 174 N ALA A 12 -4.813 -0.575 3.129 1.00 0.00 N ATOM 175 CA ALA A 12 -4.615 -1.532 2.094 1.00 0.00 C ATOM 176 C ALA A 12 -5.800 -1.459 1.185 1.00 0.00 C ATOM 177 O ALA A 12 -6.939 -1.427 1.662 1.00 0.00 O ATOM 178 CB ALA A 12 -4.476 -2.926 2.682 1.00 0.00 C ATOM 0 H ALA A 12 -5.732 -0.625 3.569 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.700 -1.318 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.325 -3.647 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.621 -2.952 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.382 -3.181 3.232 1.00 0.00 H new ATOM 184 N CYS A 13 -5.544 -1.365 -0.087 1.00 0.00 N ATOM 185 CA CYS A 13 -6.575 -1.307 -1.078 1.00 0.00 C ATOM 186 C CYS A 13 -7.388 -2.584 -1.043 1.00 0.00 C ATOM 187 O CYS A 13 -6.838 -3.703 -0.912 1.00 0.00 O ATOM 188 CB CYS A 13 -5.939 -1.008 -2.425 1.00 0.00 C ATOM 189 SG CYS A 13 -4.966 0.579 -2.425 1.00 0.00 S ATOM 0 H CYS A 13 -4.599 -1.326 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.281 -0.501 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.282 -1.832 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.718 -0.952 -3.185 1.00 0.00 H new ATOM 194 N ASN A 14 -8.693 -2.410 -1.112 1.00 0.00 N ATOM 195 CA ASN A 14 -9.658 -3.465 -0.897 1.00 0.00 C ATOM 196 C ASN A 14 -9.636 -4.452 -2.016 1.00 0.00 C ATOM 197 O ASN A 14 -10.044 -5.606 -1.851 1.00 0.00 O ATOM 198 CB ASN A 14 -11.075 -2.899 -0.728 1.00 0.00 C ATOM 199 CG ASN A 14 -11.240 -1.958 0.471 1.00 0.00 C ATOM 200 OD1 ASN A 14 -10.456 -2.147 1.514 1.00 0.00 O flip ATOM 201 ND2 ASN A 14 -12.067 -1.057 0.449 1.00 0.00 N flip ATOM 0 H ASN A 14 -9.120 -1.508 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.377 -3.975 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.350 -2.363 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.775 -3.728 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.662 -0.931 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.161 -0.432 1.249 1.00 0.00 H new ATOM 208 N GLU A 15 -9.180 -4.000 -3.153 1.00 0.00 N ATOM 209 CA GLU A 15 -9.037 -4.820 -4.283 1.00 0.00 C ATOM 210 C GLU A 15 -7.984 -5.845 -3.952 1.00 0.00 C ATOM 211 O GLU A 15 -6.882 -5.453 -3.601 1.00 0.00 O ATOM 212 CB GLU A 15 -8.546 -4.038 -5.506 1.00 0.00 C ATOM 213 CG GLU A 15 -9.204 -2.697 -5.771 1.00 0.00 C ATOM 214 CD GLU A 15 -8.612 -1.588 -4.918 1.00 0.00 C ATOM 215 OE1 GLU A 15 -9.029 -1.428 -3.755 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.685 -0.927 -5.390 1.00 0.00 O ATOM 0 H GLU A 15 -8.898 -3.031 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.006 -5.257 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.474 -3.874 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.684 -4.664 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.092 -2.441 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.273 -2.774 -5.573 1.00 0.00 H new ATOM 223 N THR A 16 -8.309 -7.131 -4.076 1.00 0.00 N ATOM 224 CA THR A 16 -7.396 -8.236 -3.751 1.00 0.00 C ATOM 225 C THR A 16 -5.963 -8.000 -4.227 1.00 0.00 C ATOM 226 O THR A 16 -4.998 -8.167 -3.470 1.00 0.00 O ATOM 227 CB THR A 16 -7.892 -9.542 -4.388 1.00 0.00 C ATOM 228 OG1 THR A 16 -9.191 -9.860 -3.874 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.901 -10.687 -4.132 1.00 0.00 C ATOM 0 H THR A 16 -9.222 -7.443 -4.408 1.00 0.00 H new ATOM 0 HA THR A 16 -7.388 -8.300 -2.663 1.00 0.00 H new ATOM 0 HB THR A 16 -7.963 -9.408 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.509 -10.693 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.275 -11.601 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.932 -10.433 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.792 -10.840 -3.058 1.00 0.00 H new ATOM 237 N ASP A 17 -5.835 -7.572 -5.441 1.00 0.00 N ATOM 238 CA ASP A 17 -4.539 -7.439 -6.018 1.00 0.00 C ATOM 239 C ASP A 17 -3.874 -6.148 -5.549 1.00 0.00 C ATOM 240 O ASP A 17 -2.644 -6.070 -5.410 1.00 0.00 O ATOM 241 CB ASP A 17 -4.639 -7.416 -7.512 1.00 0.00 C ATOM 242 CG ASP A 17 -3.292 -7.591 -8.198 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.845 -8.734 -8.338 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.662 -6.584 -8.616 1.00 0.00 O ATOM 0 H ASP A 17 -6.610 -7.309 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.939 -8.292 -5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.313 -8.208 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.082 -6.471 -7.827 1.00 0.00 H new ATOM 249 N ASN A 18 -4.677 -5.107 -5.290 1.00 0.00 N ATOM 250 CA ASN A 18 -4.114 -3.838 -4.878 1.00 0.00 C ATOM 251 C ASN A 18 -3.791 -3.814 -3.427 1.00 0.00 C ATOM 252 O ASN A 18 -3.167 -2.882 -2.943 1.00 0.00 O ATOM 253 CB ASN A 18 -4.919 -2.606 -5.290 1.00 0.00 C ATOM 254 CG ASN A 18 -4.964 -2.389 -6.789 1.00 0.00 C ATOM 255 OD1 ASN A 18 -4.056 -2.813 -7.522 1.00 0.00 O ATOM 256 ND2 ASN A 18 -5.966 -1.703 -7.253 1.00 0.00 N ATOM 0 H ASN A 18 -5.694 -5.127 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.183 -3.766 -5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.937 -2.704 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.488 -1.724 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.025 -1.497 -8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.694 -1.371 -6.620 1.00 0.00 H new ATOM 263 N SER A 19 -4.164 -4.870 -2.736 1.00 0.00 N ATOM 264 CA SER A 19 -3.810 -5.027 -1.335 1.00 0.00 C ATOM 265 C SER A 19 -2.289 -5.171 -1.198 1.00 0.00 C ATOM 266 O SER A 19 -1.745 -5.057 -0.126 1.00 0.00 O ATOM 267 CB SER A 19 -4.475 -6.265 -0.812 1.00 0.00 C ATOM 268 OG SER A 19 -5.803 -6.292 -1.224 1.00 0.00 O ATOM 0 H SER A 19 -4.715 -5.638 -3.121 1.00 0.00 H new ATOM 0 HA SER A 19 -4.137 -4.154 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.953 -7.151 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.421 -6.287 0.276 1.00 0.00 H new ATOM 0 HG SER A 19 -6.190 -5.395 -1.140 1.00 0.00 H new ATOM 274 N CYS A 20 -1.639 -5.445 -2.315 1.00 0.00 N ATOM 275 CA CYS A 20 -0.211 -5.567 -2.372 1.00 0.00 C ATOM 276 C CYS A 20 0.481 -4.309 -2.809 1.00 0.00 C ATOM 277 O CYS A 20 1.626 -4.339 -3.219 1.00 0.00 O ATOM 278 CB CYS A 20 0.195 -6.728 -3.224 1.00 0.00 C ATOM 279 SG CYS A 20 0.189 -8.245 -2.296 1.00 0.00 S ATOM 0 H CYS A 20 -2.102 -5.589 -3.213 1.00 0.00 H new ATOM 0 HA CYS A 20 0.117 -5.751 -1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.485 -6.815 -4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.191 -6.552 -3.631 1.00 0.00 H new ATOM 284 N LYS A 21 -0.189 -3.209 -2.737 1.00 0.00 N ATOM 285 CA LYS A 21 0.443 -1.969 -2.961 1.00 0.00 C ATOM 286 C LYS A 21 0.367 -1.210 -1.749 1.00 0.00 C ATOM 287 O LYS A 21 -0.466 -1.461 -0.877 1.00 0.00 O ATOM 288 CB LYS A 21 -0.125 -1.177 -4.139 1.00 0.00 C ATOM 289 CG LYS A 21 0.088 -1.781 -5.528 1.00 0.00 C ATOM 290 CD LYS A 21 -0.940 -2.841 -5.830 1.00 0.00 C ATOM 291 CE LYS A 21 -0.745 -3.472 -7.194 1.00 0.00 C ATOM 292 NZ LYS A 21 -1.850 -4.395 -7.492 1.00 0.00 N ATOM 0 H LYS A 21 -1.184 -3.152 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 21 1.478 -2.169 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.196 -1.051 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.318 -0.181 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.034 -0.994 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.087 -2.213 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.892 -3.616 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.936 -2.401 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.695 -2.696 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.203 -4.008 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.608 -4.969 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.010 -5.020 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.715 -3.850 -7.686 1.00 0.00 H new ATOM 306 N VAL A 22 1.265 -0.338 -1.663 1.00 0.00 N ATOM 307 CA VAL A 22 1.356 0.515 -0.592 1.00 0.00 C ATOM 308 C VAL A 22 0.281 1.515 -0.717 1.00 0.00 C ATOM 309 O VAL A 22 0.315 2.357 -1.572 1.00 0.00 O ATOM 310 CB VAL A 22 2.710 1.170 -0.566 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.752 2.185 0.550 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.770 0.068 -0.425 1.00 0.00 C ATOM 0 H VAL A 22 1.986 -0.197 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 22 1.241 -0.029 0.345 1.00 0.00 H new ATOM 0 HB VAL A 22 2.916 1.714 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.732 2.662 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.985 2.941 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.570 1.687 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.762 0.518 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.601 -0.483 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.700 -0.615 -1.272 1.00 0.00 H new ATOM 322 N CYS A 23 -0.692 1.336 0.051 1.00 0.00 N ATOM 323 CA CYS A 23 -1.816 2.215 0.044 1.00 0.00 C ATOM 324 C CYS A 23 -1.821 3.123 1.272 1.00 0.00 C ATOM 325 O CYS A 23 -1.311 2.771 2.351 1.00 0.00 O ATOM 326 CB CYS A 23 -3.130 1.436 -0.048 1.00 0.00 C ATOM 327 SG CYS A 23 -3.214 0.191 -1.419 1.00 0.00 S ATOM 0 H CYS A 23 -0.757 0.571 0.722 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.728 2.843 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.296 0.922 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.947 2.146 -0.173 1.00 0.00 H new ATOM 332 N CYS A 24 -2.382 4.270 1.094 1.00 0.00 N ATOM 333 CA CYS A 24 -2.532 5.250 2.097 1.00 0.00 C ATOM 334 C CYS A 24 -4.015 5.394 2.340 1.00 0.00 C ATOM 335 O CYS A 24 -4.821 4.734 1.666 1.00 0.00 O ATOM 336 CB CYS A 24 -1.961 6.559 1.582 1.00 0.00 C ATOM 337 SG CYS A 24 -0.231 6.439 1.048 1.00 0.00 S ATOM 0 H CYS A 24 -2.767 4.558 0.194 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.015 4.978 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.567 6.906 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.039 7.313 2.366 1.00 0.00 H new ATOM 342 N ARG A 25 -4.391 6.201 3.267 1.00 0.00 N ATOM 343 CA ARG A 25 -5.757 6.408 3.542 1.00 0.00 C ATOM 344 C ARG A 25 -5.976 7.884 3.470 1.00 0.00 C ATOM 345 O ARG A 25 -5.238 8.655 4.091 1.00 0.00 O ATOM 346 CB ARG A 25 -6.057 5.831 4.905 1.00 0.00 C ATOM 347 CG ARG A 25 -7.518 5.512 5.190 1.00 0.00 C ATOM 348 CD ARG A 25 -8.373 6.729 5.558 1.00 0.00 C ATOM 349 NE ARG A 25 -7.759 7.613 6.580 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.304 7.247 7.811 1.00 0.00 C ATOM 351 NH1 ARG A 25 -7.452 6.000 8.254 1.00 0.00 N ATOM 352 NH2 ARG A 25 -6.728 8.151 8.599 1.00 0.00 N ATOM 0 H ARG A 25 -3.752 6.736 3.856 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.426 5.916 2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.476 4.917 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.706 6.534 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.950 5.032 4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.567 4.789 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.564 7.311 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.339 6.383 5.925 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.668 8.599 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.912 5.302 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.106 5.743 9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.628 9.115 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.386 7.880 9.521 1.00 0.00 H new ATOM 366 N ASP A 26 -6.955 8.275 2.724 1.00 0.00 N ATOM 367 CA ASP A 26 -7.156 9.642 2.408 1.00 0.00 C ATOM 368 C ASP A 26 -8.122 10.276 3.393 1.00 0.00 C ATOM 369 O ASP A 26 -8.500 9.682 4.414 1.00 0.00 O ATOM 370 CB ASP A 26 -7.656 9.784 0.948 1.00 0.00 C ATOM 371 CG ASP A 26 -9.152 9.643 0.821 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.673 8.578 1.105 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.811 10.647 0.545 1.00 0.00 O ATOM 0 H ASP A 26 -7.644 7.644 2.314 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.207 10.171 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.354 10.757 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.172 9.029 0.329 1.00 0.00 H new ATOM 378 N LEU A 27 -8.483 11.454 3.075 1.00 0.00 N ATOM 379 CA LEU A 27 -9.300 12.308 3.866 1.00 0.00 C ATOM 380 C LEU A 27 -10.762 11.892 3.848 1.00 0.00 C ATOM 381 O LEU A 27 -11.487 12.126 4.808 1.00 0.00 O ATOM 382 CB LEU A 27 -9.170 13.769 3.420 1.00 0.00 C ATOM 383 CG LEU A 27 -7.763 14.248 3.040 1.00 0.00 C ATOM 384 CD1 LEU A 27 -7.504 14.064 1.542 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.526 15.684 3.473 1.00 0.00 C ATOM 0 H LEU A 27 -8.201 11.886 2.195 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.939 12.214 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.826 13.923 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.541 14.405 4.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.047 13.627 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.499 14.412 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.594 13.009 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.234 14.640 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.519 15.989 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.254 16.335 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.635 15.760 4.555 1.00 0.00 H new ATOM 397 N SER A 28 -11.186 11.276 2.771 1.00 0.00 N ATOM 398 CA SER A 28 -12.531 10.847 2.642 1.00 0.00 C ATOM 399 C SER A 28 -12.695 9.530 3.363 1.00 0.00 C ATOM 400 O SER A 28 -13.817 9.090 3.645 1.00 0.00 O ATOM 401 CB SER A 28 -12.945 10.725 1.156 1.00 0.00 C ATOM 402 OG SER A 28 -14.306 10.296 1.031 1.00 0.00 O ATOM 0 H SER A 28 -10.596 11.064 1.966 1.00 0.00 H new ATOM 0 HA SER A 28 -13.188 11.591 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.817 11.687 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.290 10.016 0.650 1.00 0.00 H new ATOM 0 HG SER A 28 -14.542 10.229 0.082 1.00 0.00 H new ATOM 408 N GLY A 29 -11.576 8.920 3.680 1.00 0.00 N ATOM 409 CA GLY A 29 -11.580 7.696 4.346 1.00 0.00 C ATOM 410 C GLY A 29 -11.609 6.508 3.404 1.00 0.00 C ATOM 411 O GLY A 29 -12.282 5.503 3.667 1.00 0.00 O ATOM 0 H GLY A 29 -10.647 9.284 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.694 7.630 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.446 7.651 5.006 1.00 0.00 H new ATOM 415 N ARG A 30 -10.966 6.650 2.278 1.00 0.00 N ATOM 416 CA ARG A 30 -10.773 5.581 1.325 1.00 0.00 C ATOM 417 C ARG A 30 -9.330 5.130 1.436 1.00 0.00 C ATOM 418 O ARG A 30 -8.511 5.790 2.099 1.00 0.00 O ATOM 419 CB ARG A 30 -11.033 6.038 -0.143 1.00 0.00 C ATOM 420 CG ARG A 30 -12.490 6.079 -0.667 1.00 0.00 C ATOM 421 CD ARG A 30 -13.428 7.033 0.073 1.00 0.00 C ATOM 422 NE ARG A 30 -13.870 6.499 1.367 1.00 0.00 N ATOM 423 CZ ARG A 30 -15.000 6.824 1.999 1.00 0.00 C ATOM 424 NH1 ARG A 30 -15.814 7.758 1.491 1.00 0.00 N ATOM 425 NH2 ARG A 30 -15.280 6.254 3.175 1.00 0.00 N ATOM 0 H ARG A 30 -10.549 7.534 1.986 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.480 4.783 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.614 7.038 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.465 5.378 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.471 6.360 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.906 5.073 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.921 7.985 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.300 7.235 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.260 5.820 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.572 8.225 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.676 8.003 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.633 5.578 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.141 6.495 3.667 1.00 0.00 H new ATOM 439 N CYS A 31 -9.010 4.044 0.812 1.00 0.00 N ATOM 440 CA CYS A 31 -7.670 3.556 0.815 1.00 0.00 C ATOM 441 C CYS A 31 -7.142 3.644 -0.595 1.00 0.00 C ATOM 442 O CYS A 31 -7.657 3.006 -1.496 1.00 0.00 O ATOM 443 CB CYS A 31 -7.634 2.137 1.378 1.00 0.00 C ATOM 444 SG CYS A 31 -8.404 2.039 3.043 1.00 0.00 S ATOM 0 H CYS A 31 -9.669 3.470 0.286 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.028 4.156 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.155 1.463 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.600 1.796 1.436 1.00 0.00 H new ATOM 449 N VAL A 32 -6.161 4.483 -0.776 1.00 0.00 N ATOM 450 CA VAL A 32 -5.624 4.800 -2.047 1.00 0.00 C ATOM 451 C VAL A 32 -4.184 4.407 -2.165 1.00 0.00 C ATOM 452 O VAL A 32 -3.448 4.545 -1.229 1.00 0.00 O ATOM 453 CB VAL A 32 -5.762 6.295 -2.395 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.165 6.580 -2.867 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.400 7.168 -1.177 1.00 0.00 C ATOM 0 H VAL A 32 -5.705 4.976 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.214 4.221 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.068 6.541 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.259 7.638 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.379 5.982 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.873 6.326 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.503 8.221 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.070 6.934 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.371 6.968 -0.879 1.00 0.00 H new ATOM 465 N PRO A 33 -3.772 3.923 -3.317 1.00 0.00 N ATOM 466 CA PRO A 33 -2.375 3.540 -3.561 1.00 0.00 C ATOM 467 C PRO A 33 -1.427 4.750 -3.447 1.00 0.00 C ATOM 468 O PRO A 33 -1.717 5.823 -3.990 1.00 0.00 O ATOM 469 CB PRO A 33 -2.400 3.020 -5.012 1.00 0.00 C ATOM 470 CG PRO A 33 -3.637 3.605 -5.618 1.00 0.00 C ATOM 471 CD PRO A 33 -4.629 3.710 -4.499 1.00 0.00 C ATOM 0 HA PRO A 33 -2.012 2.810 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.509 3.332 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.426 1.931 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.434 4.583 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.017 2.972 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.322 4.538 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.229 2.805 -4.405 1.00 0.00 H new ATOM 479 N TYR A 34 -0.327 4.593 -2.710 1.00 0.00 N ATOM 480 CA TYR A 34 0.655 5.645 -2.586 1.00 0.00 C ATOM 481 C TYR A 34 1.343 5.924 -3.872 1.00 0.00 C ATOM 482 O TYR A 34 1.670 5.013 -4.660 1.00 0.00 O ATOM 483 CB TYR A 34 1.711 5.334 -1.495 1.00 0.00 C ATOM 484 CG TYR A 34 3.137 5.882 -1.767 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.557 7.156 -1.376 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.074 5.093 -2.401 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.799 7.576 -1.597 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.335 5.543 -2.633 1.00 0.00 C ATOM 489 CZ TYR A 34 5.701 6.779 -2.223 1.00 0.00 C ATOM 490 OH TYR A 34 6.977 7.237 -2.463 1.00 0.00 O ATOM 0 H TYR A 34 -0.103 3.743 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 34 0.098 6.533 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.359 5.742 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.774 4.253 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.857 7.814 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.800 4.098 -2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.093 8.564 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.046 4.913 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 34 7.073 7.453 -3.414 1.00 0.00 H new ATOM 500 N VAL A 35 1.543 7.171 -4.080 1.00 0.00 N ATOM 501 CA VAL A 35 2.343 7.669 -5.064 1.00 0.00 C ATOM 502 C VAL A 35 2.758 8.936 -4.459 1.00 0.00 C ATOM 503 O VAL A 35 1.953 9.588 -3.772 1.00 0.00 O ATOM 504 CB VAL A 35 1.632 8.065 -6.350 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.408 7.650 -7.553 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.169 7.661 -6.402 1.00 0.00 C ATOM 0 H VAL A 35 1.108 7.898 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 35 3.093 6.930 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 35 1.599 9.154 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.871 7.949 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.387 8.130 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.535 6.567 -7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.263 7.980 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.087 6.578 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.369 8.135 -5.581 1.00 0.00 H new ATOM 516 N ASP A 36 3.932 9.265 -4.625 1.00 0.00 N ATOM 517 CA ASP A 36 4.416 10.465 -4.121 1.00 0.00 C ATOM 518 C ASP A 36 4.553 11.395 -5.190 1.00 0.00 C ATOM 519 O ASP A 36 4.048 11.182 -6.289 1.00 0.00 O ATOM 520 CB ASP A 36 5.665 10.214 -3.363 1.00 0.00 C ATOM 521 CG ASP A 36 6.794 9.816 -4.273 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.872 8.649 -4.689 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.589 10.664 -4.625 1.00 0.00 O ATOM 0 H ASP A 36 4.620 8.705 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 36 3.721 10.913 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.942 11.111 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.494 9.427 -2.629 1.00 0.00 H new ATOM 528 N ALA A 37 5.207 12.408 -4.892 1.00 0.00 N ATOM 529 CA ALA A 37 5.252 13.509 -5.699 1.00 0.00 C ATOM 530 C ALA A 37 6.080 13.255 -6.962 1.00 0.00 C ATOM 531 O ALA A 37 5.954 13.956 -7.957 1.00 0.00 O ATOM 532 CB ALA A 37 5.745 14.610 -4.877 1.00 0.00 C ATOM 0 H ALA A 37 5.753 12.496 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 37 4.264 13.763 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.800 15.517 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.067 14.771 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.738 14.365 -4.499 1.00 0.00 H new ATOM 538 N GLU A 38 6.914 12.241 -6.887 1.00 0.00 N ATOM 539 CA GLU A 38 7.680 11.774 -7.960 1.00 0.00 C ATOM 540 C GLU A 38 6.891 10.761 -8.789 1.00 0.00 C ATOM 541 O GLU A 38 7.409 10.243 -9.779 1.00 0.00 O ATOM 542 CB GLU A 38 8.913 11.104 -7.442 1.00 0.00 C ATOM 543 CG GLU A 38 9.953 12.009 -6.812 1.00 0.00 C ATOM 544 CD GLU A 38 11.105 11.200 -6.270 1.00 0.00 C ATOM 545 OE1 GLU A 38 11.900 10.696 -7.056 1.00 0.00 O ATOM 546 OE2 GLU A 38 11.149 10.971 -5.040 1.00 0.00 O ATOM 0 H GLU A 38 7.064 11.714 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 38 7.943 12.626 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.614 10.360 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.382 10.565 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.318 12.721 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.499 12.589 -6.008 1.00 0.00 H new ATOM 553 N GLN A 39 5.638 10.440 -8.347 1.00 0.00 N ATOM 554 CA GLN A 39 4.782 9.534 -9.000 1.00 0.00 C ATOM 555 C GLN A 39 5.323 8.118 -8.949 1.00 0.00 C ATOM 556 O GLN A 39 5.055 7.298 -9.828 1.00 0.00 O ATOM 557 CB GLN A 39 4.507 10.035 -10.379 1.00 0.00 C ATOM 558 CG GLN A 39 3.592 11.246 -10.389 1.00 0.00 C ATOM 559 CD GLN A 39 2.173 10.934 -9.923 1.00 0.00 C ATOM 560 OE1 GLN A 39 1.701 9.736 -10.193 1.00 0.00 O flip ATOM 561 NE2 GLN A 39 1.502 11.771 -9.350 1.00 0.00 N flip ATOM 0 H GLN A 39 5.232 10.841 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 39 3.826 9.478 -8.479 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.449 10.292 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.054 9.237 -10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.016 12.018 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.554 11.656 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.894 12.692 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.547 11.552 -9.066 1.00 0.00 H new ATOM 570 N LYS A 40 6.014 7.809 -7.856 1.00 0.00 N ATOM 571 CA LYS A 40 6.511 6.499 -7.644 1.00 0.00 C ATOM 572 C LYS A 40 5.497 5.726 -6.902 1.00 0.00 C ATOM 573 O LYS A 40 4.853 6.242 -5.991 1.00 0.00 O ATOM 574 CB LYS A 40 7.748 6.513 -6.813 1.00 0.00 C ATOM 575 CG LYS A 40 8.791 7.436 -7.325 1.00 0.00 C ATOM 576 CD LYS A 40 10.136 7.285 -6.590 1.00 0.00 C ATOM 577 CE LYS A 40 10.041 7.503 -5.068 1.00 0.00 C ATOM 578 NZ LYS A 40 9.668 8.881 -4.688 1.00 0.00 N ATOM 0 H LYS A 40 6.232 8.471 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 40 6.733 6.061 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.489 6.799 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.157 5.504 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.941 7.253 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.441 8.463 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.534 6.288 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.849 7.997 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.307 6.811 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.001 7.258 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.376 8.899 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.485 9.511 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.880 9.205 -5.285 1.00 0.00 H new ATOM 592 N ASN A 41 5.372 4.525 -7.259 1.00 0.00 N ATOM 593 CA ASN A 41 4.444 3.650 -6.633 1.00 0.00 C ATOM 594 C ASN A 41 5.261 2.617 -5.870 1.00 0.00 C ATOM 595 O ASN A 41 6.494 2.641 -5.934 1.00 0.00 O ATOM 596 CB ASN A 41 3.621 2.959 -7.701 1.00 0.00 C ATOM 597 CG ASN A 41 2.397 2.177 -7.179 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.045 1.132 -7.712 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.724 2.692 -6.170 1.00 0.00 N ATOM 0 H ASN A 41 5.915 4.096 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 41 3.773 4.189 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.277 3.708 -8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.266 2.271 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.892 2.219 -5.818 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.035 3.564 -5.741 1.00 0.00 H new ATOM 606 N LEU A 42 4.600 1.709 -5.210 1.00 0.00 N ATOM 607 CA LEU A 42 5.247 0.700 -4.399 1.00 0.00 C ATOM 608 C LEU A 42 4.363 -0.497 -4.228 1.00 0.00 C ATOM 609 O LEU A 42 3.130 -0.373 -4.141 1.00 0.00 O ATOM 610 CB LEU A 42 5.515 1.213 -3.006 1.00 0.00 C ATOM 611 CG LEU A 42 6.604 2.219 -2.779 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.437 2.756 -1.383 1.00 0.00 C ATOM 613 CD2 LEU A 42 7.977 1.587 -2.950 1.00 0.00 C ATOM 0 H LEU A 42 3.582 1.642 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 42 6.173 0.443 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.587 1.649 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.734 0.349 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 42 6.532 3.023 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.214 3.493 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.458 3.226 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.518 1.938 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.747 2.339 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.096 0.776 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.072 1.192 -3.962 1.00 0.00 H new ATOM 625 N PHE A 43 4.983 -1.628 -4.150 1.00 0.00 N ATOM 626 CA PHE A 43 4.363 -2.828 -3.854 1.00 0.00 C ATOM 627 C PHE A 43 4.739 -3.190 -2.429 1.00 0.00 C ATOM 628 O PHE A 43 5.845 -2.849 -1.976 1.00 0.00 O ATOM 629 CB PHE A 43 4.853 -3.901 -4.809 1.00 0.00 C ATOM 630 CG PHE A 43 4.478 -3.673 -6.249 1.00 0.00 C ATOM 631 CD1 PHE A 43 3.239 -4.063 -6.724 1.00 0.00 C ATOM 632 CD2 PHE A 43 5.368 -3.069 -7.126 1.00 0.00 C ATOM 633 CE1 PHE A 43 2.892 -3.856 -8.045 1.00 0.00 C ATOM 634 CE2 PHE A 43 5.026 -2.860 -8.447 1.00 0.00 C ATOM 635 CZ PHE A 43 3.786 -3.253 -8.906 1.00 0.00 C ATOM 0 H PHE A 43 5.987 -1.719 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 43 3.281 -2.745 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.939 -3.967 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.453 -4.864 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.535 -4.535 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.340 -2.759 -6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.922 -4.166 -8.404 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.728 -2.390 -9.120 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.515 -3.089 -9.938 1.00 0.00 H new ATOM 645 N LEU A 44 3.835 -3.800 -1.711 1.00 0.00 N ATOM 646 CA LEU A 44 4.114 -4.269 -0.420 1.00 0.00 C ATOM 647 C LEU A 44 5.035 -5.489 -0.525 1.00 0.00 C ATOM 648 O LEU A 44 5.086 -6.150 -1.564 1.00 0.00 O ATOM 649 CB LEU A 44 2.839 -4.612 0.369 1.00 0.00 C ATOM 650 CG LEU A 44 1.999 -3.428 0.862 1.00 0.00 C ATOM 651 CD1 LEU A 44 0.725 -3.929 1.510 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.786 -2.600 1.872 1.00 0.00 C ATOM 0 H LEU A 44 2.881 -3.977 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 44 4.611 -3.473 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.207 -5.240 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.124 -5.211 1.234 1.00 0.00 H new ATOM 0 HG LEU A 44 1.750 -2.803 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.135 -3.081 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.147 -4.500 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.975 -4.568 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.175 -1.764 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.053 -3.224 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.693 -2.219 1.403 1.00 0.00 H new ATOM 664 N ARG A 45 5.774 -5.782 0.510 1.00 0.00 N ATOM 665 CA ARG A 45 6.683 -6.854 0.443 1.00 0.00 C ATOM 666 C ARG A 45 6.102 -8.201 0.900 1.00 0.00 C ATOM 667 O ARG A 45 4.976 -8.284 1.375 1.00 0.00 O ATOM 668 CB ARG A 45 7.952 -6.492 1.157 1.00 0.00 C ATOM 669 CG ARG A 45 8.738 -5.377 0.468 1.00 0.00 C ATOM 670 CD ARG A 45 10.169 -5.301 0.968 1.00 0.00 C ATOM 671 NE ARG A 45 10.955 -6.484 0.544 1.00 0.00 N ATOM 672 CZ ARG A 45 12.148 -6.851 1.039 1.00 0.00 C ATOM 673 NH1 ARG A 45 12.719 -6.144 2.024 1.00 0.00 N ATOM 674 NH2 ARG A 45 12.769 -7.923 0.538 1.00 0.00 N ATOM 0 H ARG A 45 5.753 -5.285 1.400 1.00 0.00 H new ATOM 0 HA ARG A 45 6.912 -7.016 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.712 -6.183 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.583 -7.378 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.738 -5.545 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.242 -4.422 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.641 -4.394 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.172 -5.231 2.056 1.00 0.00 H new ATOM 0 HE ARG A 45 10.555 -7.071 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.247 -5.322 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.625 -6.428 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.337 -8.457 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.675 -8.207 0.909 1.00 0.00 H new ATOM 688 N LYS A 46 6.926 -9.229 0.781 1.00 0.00 N ATOM 689 CA LYS A 46 6.550 -10.621 1.018 1.00 0.00 C ATOM 690 C LYS A 46 6.055 -10.893 2.438 1.00 0.00 C ATOM 691 O LYS A 46 6.599 -10.370 3.439 1.00 0.00 O ATOM 692 CB LYS A 46 7.738 -11.551 0.685 1.00 0.00 C ATOM 693 CG LYS A 46 7.439 -13.054 0.746 1.00 0.00 C ATOM 694 CD LYS A 46 6.406 -13.445 -0.295 1.00 0.00 C ATOM 695 CE LYS A 46 6.159 -14.946 -0.346 1.00 0.00 C ATOM 696 NZ LYS A 46 5.224 -15.285 -1.431 1.00 0.00 N ATOM 0 H LYS A 46 7.903 -9.120 0.509 1.00 0.00 H new ATOM 0 HA LYS A 46 5.708 -10.828 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.096 -11.310 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.552 -11.332 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.357 -13.618 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.077 -13.316 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.468 -12.934 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.737 -13.102 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.103 -15.470 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.755 -15.285 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.885 -16.260 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.415 -14.632 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.710 -15.203 -2.347 1.00 0.00 H new ATOM 710 N GLY A 47 4.972 -11.639 2.498 1.00 0.00 N ATOM 711 CA GLY A 47 4.456 -12.160 3.725 1.00 0.00 C ATOM 712 C GLY A 47 3.773 -11.119 4.522 1.00 0.00 C ATOM 713 O GLY A 47 3.789 -11.154 5.748 1.00 0.00 O ATOM 0 H GLY A 47 4.424 -11.899 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.758 -12.969 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.271 -12.588 4.309 1.00 0.00 H new ATOM 717 N LYS A 48 3.266 -10.127 3.853 1.00 0.00 N ATOM 718 CA LYS A 48 2.505 -9.123 4.522 1.00 0.00 C ATOM 719 C LYS A 48 1.032 -9.434 4.333 1.00 0.00 C ATOM 720 O LYS A 48 0.641 -9.804 3.252 1.00 0.00 O ATOM 721 CB LYS A 48 2.875 -7.764 3.972 1.00 0.00 C ATOM 722 CG LYS A 48 4.341 -7.284 4.211 1.00 0.00 C ATOM 723 CD LYS A 48 4.742 -7.031 5.693 1.00 0.00 C ATOM 724 CE LYS A 48 5.026 -8.306 6.512 1.00 0.00 C ATOM 725 NZ LYS A 48 6.094 -9.163 5.913 1.00 0.00 N ATOM 0 H LYS A 48 3.367 -9.994 2.847 1.00 0.00 H new ATOM 0 HA LYS A 48 2.720 -9.112 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.690 -7.770 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.201 -7.026 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.019 -8.029 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.496 -6.362 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.630 -6.399 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.943 -6.473 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.320 -8.023 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.108 -8.887 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.263 -9.986 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.792 -9.488 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.972 -8.612 5.824 1.00 0.00 H new ATOM 739 N PRO A 49 0.225 -9.359 5.393 1.00 0.00 N ATOM 740 CA PRO A 49 -1.206 -9.685 5.313 1.00 0.00 C ATOM 741 C PRO A 49 -1.977 -8.751 4.375 1.00 0.00 C ATOM 742 O PRO A 49 -1.982 -7.529 4.549 1.00 0.00 O ATOM 743 CB PRO A 49 -1.701 -9.532 6.760 1.00 0.00 C ATOM 744 CG PRO A 49 -0.691 -8.666 7.428 1.00 0.00 C ATOM 745 CD PRO A 49 0.619 -8.954 6.755 1.00 0.00 C ATOM 0 HA PRO A 49 -1.365 -10.682 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.692 -9.078 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.778 -10.500 7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.956 -7.613 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.637 -8.883 8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.265 -8.076 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.167 -9.745 7.266 1.00 0.00 H new ATOM 753 N CYS A 50 -2.579 -9.329 3.381 1.00 0.00 N ATOM 754 CA CYS A 50 -3.379 -8.630 2.454 1.00 0.00 C ATOM 755 C CYS A 50 -4.811 -9.172 2.517 1.00 0.00 C ATOM 756 O CYS A 50 -5.206 -9.711 3.542 1.00 0.00 O ATOM 757 CB CYS A 50 -2.750 -8.716 1.058 1.00 0.00 C ATOM 758 SG CYS A 50 -2.324 -10.384 0.499 1.00 0.00 S ATOM 0 H CYS A 50 -2.518 -10.330 3.197 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.429 -7.570 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.441 -8.276 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.847 -8.106 1.047 1.00 0.00 H new ATOM 763 N THR A 51 -5.574 -9.015 1.455 1.00 0.00 N ATOM 764 CA THR A 51 -6.967 -9.409 1.420 1.00 0.00 C ATOM 765 C THR A 51 -7.178 -10.894 1.596 1.00 0.00 C ATOM 766 O THR A 51 -7.739 -11.350 2.584 1.00 0.00 O ATOM 767 CB THR A 51 -7.564 -9.002 0.079 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.547 -9.135 -0.934 1.00 0.00 O ATOM 769 CG2 THR A 51 -8.029 -7.601 0.108 1.00 0.00 C ATOM 0 H THR A 51 -5.241 -8.606 0.582 1.00 0.00 H new ATOM 0 HA THR A 51 -7.454 -8.907 2.256 1.00 0.00 H new ATOM 0 HB THR A 51 -8.417 -9.645 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.152 -8.257 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.450 -7.337 -0.862 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.792 -7.487 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.189 -6.943 0.329 1.00 0.00 H new ATOM 777 N VAL A 52 -6.760 -11.615 0.611 1.00 0.00 N ATOM 778 CA VAL A 52 -6.979 -13.042 0.572 1.00 0.00 C ATOM 779 C VAL A 52 -5.976 -13.853 1.396 1.00 0.00 C ATOM 780 O VAL A 52 -6.321 -14.912 1.916 1.00 0.00 O ATOM 781 CB VAL A 52 -7.127 -13.579 -0.879 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.258 -12.845 -1.592 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.836 -13.464 -1.681 1.00 0.00 C ATOM 0 H VAL A 52 -6.256 -11.243 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.938 -13.194 1.068 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.363 -14.641 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.356 -13.227 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.192 -13.005 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.036 -11.778 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.996 -13.853 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.537 -12.418 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.050 -14.039 -1.190 1.00 0.00 H new ATOM 793 N GLY A 53 -4.783 -13.339 1.552 1.00 0.00 N ATOM 794 CA GLY A 53 -3.793 -14.036 2.300 1.00 0.00 C ATOM 795 C GLY A 53 -2.549 -13.215 2.545 1.00 0.00 C ATOM 796 O GLY A 53 -2.589 -12.182 3.248 1.00 0.00 O ATOM 0 H GLY A 53 -4.483 -12.443 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.216 -14.339 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.520 -14.948 1.769 1.00 0.00 H new ATOM 800 N PHE A 54 -1.457 -13.637 1.971 1.00 0.00 N ATOM 801 CA PHE A 54 -0.189 -12.964 2.144 1.00 0.00 C ATOM 802 C PHE A 54 0.217 -12.268 0.875 1.00 0.00 C ATOM 803 O PHE A 54 -0.223 -12.600 -0.189 1.00 0.00 O ATOM 804 CB PHE A 54 0.913 -13.911 2.630 1.00 0.00 C ATOM 805 CG PHE A 54 0.660 -14.474 3.998 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.970 -13.736 5.129 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.111 -15.737 4.155 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.738 -14.244 6.391 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.123 -16.252 5.416 1.00 0.00 C ATOM 810 CZ PHE A 54 0.191 -15.504 6.535 1.00 0.00 C ATOM 0 H PHE A 54 -1.415 -14.458 1.368 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.325 -12.215 2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.013 -14.733 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.863 -13.377 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.399 -12.751 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.136 -16.325 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.984 -13.658 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.551 -17.238 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.009 -15.904 7.521 1.00 0.00 H new ATOM 820 N CYS A 55 0.991 -11.275 1.003 1.00 0.00 N ATOM 821 CA CYS A 55 1.395 -10.501 -0.121 1.00 0.00 C ATOM 822 C CYS A 55 2.759 -10.920 -0.590 1.00 0.00 C ATOM 823 O CYS A 55 3.647 -11.174 0.235 1.00 0.00 O ATOM 824 CB CYS A 55 1.450 -9.059 0.295 1.00 0.00 C ATOM 825 SG CYS A 55 1.751 -7.919 -1.056 1.00 0.00 S ATOM 0 H CYS A 55 1.375 -10.960 1.894 1.00 0.00 H new ATOM 0 HA CYS A 55 0.683 -10.649 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.509 -8.795 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.235 -8.937 1.041 1.00 0.00 H new ATOM 830 N ASP A 56 2.944 -11.015 -1.883 1.00 0.00 N ATOM 831 CA ASP A 56 4.258 -11.284 -2.411 1.00 0.00 C ATOM 832 C ASP A 56 4.794 -10.004 -3.060 1.00 0.00 C ATOM 833 O ASP A 56 4.014 -9.148 -3.478 1.00 0.00 O ATOM 834 CB ASP A 56 4.241 -12.445 -3.422 1.00 0.00 C ATOM 835 CG ASP A 56 5.629 -12.842 -3.917 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.165 -12.165 -4.824 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.191 -13.815 -3.394 1.00 0.00 O ATOM 0 H ASP A 56 2.210 -10.911 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 56 4.913 -11.590 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.767 -13.311 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.626 -12.163 -4.277 1.00 0.00 H new ATOM 842 N MET A 57 6.111 -9.924 -3.220 1.00 0.00 N ATOM 843 CA MET A 57 6.791 -8.717 -3.716 1.00 0.00 C ATOM 844 C MET A 57 6.517 -8.464 -5.192 1.00 0.00 C ATOM 845 O MET A 57 6.823 -7.393 -5.704 1.00 0.00 O ATOM 846 CB MET A 57 8.311 -8.791 -3.475 1.00 0.00 C ATOM 847 CG MET A 57 8.697 -8.852 -2.009 1.00 0.00 C ATOM 848 SD MET A 57 10.486 -8.909 -1.700 1.00 0.00 S ATOM 849 CE MET A 57 10.936 -10.409 -2.593 1.00 0.00 C ATOM 0 H MET A 57 6.746 -10.694 -3.010 1.00 0.00 H new ATOM 0 HA MET A 57 6.381 -7.881 -3.149 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.707 -9.671 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.784 -7.921 -3.930 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.281 -7.982 -1.501 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.236 -9.733 -1.562 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.699 -10.950 -2.034 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.055 -11.041 -2.710 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.326 -10.144 -3.576 1.00 0.00 H new ATOM 859 N ASN A 58 5.961 -9.455 -5.881 1.00 0.00 N ATOM 860 CA ASN A 58 5.609 -9.276 -7.291 1.00 0.00 C ATOM 861 C ASN A 58 4.268 -8.540 -7.414 1.00 0.00 C ATOM 862 O ASN A 58 3.804 -8.203 -8.510 1.00 0.00 O ATOM 863 CB ASN A 58 5.610 -10.612 -8.065 1.00 0.00 C ATOM 864 CG ASN A 58 4.400 -11.511 -7.836 1.00 0.00 C ATOM 865 OD1 ASN A 58 3.436 -11.457 -8.568 1.00 0.00 O ATOM 866 ND2 ASN A 58 4.444 -12.336 -6.836 1.00 0.00 N ATOM 0 H ASN A 58 5.746 -10.376 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 58 6.378 -8.659 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.680 -10.393 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.508 -11.167 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.656 -12.957 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.266 -12.363 -6.233 1.00 0.00 H new ATOM 873 N GLY A 59 3.659 -8.304 -6.272 1.00 0.00 N ATOM 874 CA GLY A 59 2.469 -7.500 -6.202 1.00 0.00 C ATOM 875 C GLY A 59 1.190 -8.287 -6.273 1.00 0.00 C ATOM 876 O GLY A 59 0.212 -7.825 -6.888 1.00 0.00 O ATOM 0 H GLY A 59 3.977 -8.665 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.482 -6.932 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.484 -6.777 -7.018 1.00 0.00 H new ATOM 880 N LYS A 60 1.178 -9.459 -5.667 1.00 0.00 N ATOM 881 CA LYS A 60 -0.011 -10.320 -5.623 1.00 0.00 C ATOM 882 C LYS A 60 -0.223 -10.874 -4.270 1.00 0.00 C ATOM 883 O LYS A 60 0.714 -11.043 -3.505 1.00 0.00 O ATOM 884 CB LYS A 60 -0.006 -11.467 -6.643 1.00 0.00 C ATOM 885 CG LYS A 60 -0.405 -11.067 -8.063 1.00 0.00 C ATOM 886 CD LYS A 60 0.708 -10.350 -8.798 1.00 0.00 C ATOM 887 CE LYS A 60 0.214 -9.617 -10.019 1.00 0.00 C ATOM 888 NZ LYS A 60 -0.645 -8.485 -9.636 1.00 0.00 N ATOM 0 H LYS A 60 1.989 -9.851 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.835 -9.660 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.992 -11.904 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.685 -12.245 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.690 -11.959 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.283 -10.423 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.188 -9.642 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.468 -11.073 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.062 -9.255 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.342 -10.301 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.577 -7.738 -10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.631 -8.807 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.334 -8.109 -8.718 1.00 0.00 H new ATOM 902 N CYS A 61 -1.448 -11.177 -4.014 1.00 0.00 N ATOM 903 CA CYS A 61 -1.893 -11.646 -2.754 1.00 0.00 C ATOM 904 C CYS A 61 -2.160 -13.125 -2.917 1.00 0.00 C ATOM 905 O CYS A 61 -2.867 -13.538 -3.849 1.00 0.00 O ATOM 906 CB CYS A 61 -3.151 -10.875 -2.431 1.00 0.00 C ATOM 907 SG CYS A 61 -3.823 -10.975 -0.719 1.00 0.00 S ATOM 0 H CYS A 61 -2.194 -11.101 -4.705 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.176 -11.505 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.963 -9.825 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.931 -11.211 -3.114 1.00 0.00 H new ATOM 912 N GLU A 62 -1.554 -13.867 -2.077 1.00 0.00 N ATOM 913 CA GLU A 62 -1.538 -15.291 -2.092 1.00 0.00 C ATOM 914 C GLU A 62 -2.411 -15.836 -0.945 1.00 0.00 C ATOM 915 O GLU A 62 -3.477 -16.399 -1.237 1.00 0.00 O ATOM 916 CB GLU A 62 -0.050 -15.784 -2.045 1.00 0.00 C ATOM 917 CG GLU A 62 0.720 -15.466 -0.748 1.00 0.00 C ATOM 918 CD GLU A 62 2.231 -15.481 -0.884 1.00 0.00 C ATOM 919 OE1 GLU A 62 2.856 -16.565 -0.969 1.00 0.00 O ATOM 920 OE2 GLU A 62 2.853 -14.390 -0.873 1.00 0.00 O ATOM 921 OXT GLU A 62 -2.064 -15.604 0.246 1.00 0.00 O ATOM 0 H GLU A 62 -1.016 -13.478 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.973 -15.680 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.039 -16.863 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.487 -15.339 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.411 -14.484 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.431 -16.188 0.016 1.00 0.00 H new TER 928 GLU A 62