USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot -68:sc= 0.999 USER MOD Set 1.2: A 37 CYS SG : rot -105:sc= -0.0419 USER MOD Set 1.3: A 54 CYS SG : rot 167:sc= -8.48! USER MOD Set 1.4: A 58 HIS : no HE2:sc= -1.68 K(o=-9.2,f=-14) USER MOD Set 2.1: A 5 CYS SG : rot -137:sc= -1.71! USER MOD Set 2.2: A 8 CYS SG : rot -139:sc= 0.292 USER MOD Set 2.3: A 21 CYS SG : rot -161:sc= 0.957 USER MOD Set 2.4: A 23 THR OG1 : rot -4:sc= 0.804 USER MOD Set 2.5: A 24 CYS SG : rot 180:sc= 0.695 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.012) USER MOD Single : A 10 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.58) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 18 THR OG1 : rot 80:sc= 0.0521 USER MOD Single : A 20 HIS : no HE2:sc= -0.209! C(o=-0.21!,f=-6!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0622) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00364 X(o=-0.0036,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.57) USER MOD Single : A 42 GLN : amide:sc= 0.783 K(o=0.78,f=-7.5!) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0472 (180deg=-0.246) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.57! X(o=-1.6!,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= -0.848 K(o=-0.85,f=-0.0051) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= 1.05 (180deg=-0.0687) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0325 (180deg=-0.257) USER MOD Single : A 67 ASN : amide:sc= -0.875 K(o=-0.87,f=-2!) USER MOD Single : A 71 SER OG : rot 18:sc= 0.72 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 11.274 4.376 4.696 1.00 0.00 N ATOM 21 CA GLU A 2 10.582 5.506 5.307 1.00 0.00 C ATOM 22 C GLU A 2 9.672 6.167 4.280 1.00 0.00 C ATOM 23 O GLU A 2 9.468 7.380 4.308 1.00 0.00 O ATOM 24 CB GLU A 2 11.584 6.538 5.845 1.00 0.00 C ATOM 25 CG GLU A 2 12.511 6.017 6.939 1.00 0.00 C ATOM 26 CD GLU A 2 13.572 5.073 6.411 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.420 5.521 5.616 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.548 3.878 6.773 1.00 0.00 O ATOM 0 HA GLU A 2 9.988 5.134 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.191 6.901 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.031 7.393 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.995 6.861 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.919 5.503 7.696 1.00 0.00 H new ATOM 35 N ILE A 3 9.110 5.338 3.399 1.00 0.00 N ATOM 36 CA ILE A 3 8.339 5.802 2.247 1.00 0.00 C ATOM 37 C ILE A 3 9.270 6.514 1.272 1.00 0.00 C ATOM 38 O ILE A 3 9.500 7.717 1.375 1.00 0.00 O ATOM 39 CB ILE A 3 7.169 6.742 2.634 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.333 6.141 3.772 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.287 7.002 1.424 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.700 4.804 3.433 1.00 0.00 C ATOM 0 H ILE A 3 9.178 4.322 3.466 1.00 0.00 H new ATOM 0 HA ILE A 3 7.893 4.922 1.784 1.00 0.00 H new ATOM 0 HB ILE A 3 7.591 7.685 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.967 6.019 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.547 6.846 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.468 7.663 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.878 7.471 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.882 6.058 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.126 4.446 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.038 4.922 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.481 4.082 3.192 1.00 0.00 H new ATOM 54 N THR A 4 9.830 5.755 0.347 1.00 0.00 N ATOM 55 CA THR A 4 10.837 6.278 -0.554 1.00 0.00 C ATOM 56 C THR A 4 10.454 6.063 -2.015 1.00 0.00 C ATOM 57 O THR A 4 10.000 4.986 -2.399 1.00 0.00 O ATOM 58 CB THR A 4 12.198 5.615 -0.268 1.00 0.00 C ATOM 59 OG1 THR A 4 12.002 4.234 0.071 1.00 0.00 O ATOM 60 CG2 THR A 4 12.924 6.321 0.868 1.00 0.00 C ATOM 0 H THR A 4 9.602 4.771 0.201 1.00 0.00 H new ATOM 0 HA THR A 4 10.909 7.352 -0.381 1.00 0.00 H new ATOM 0 HB THR A 4 12.810 5.691 -1.167 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.869 3.815 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.881 5.832 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.094 7.363 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.317 6.274 1.772 1.00 0.00 H new ATOM 68 N CYS A 5 10.623 7.104 -2.817 1.00 0.00 N ATOM 69 CA CYS A 5 10.381 7.016 -4.247 1.00 0.00 C ATOM 70 C CYS A 5 11.547 6.289 -4.917 1.00 0.00 C ATOM 71 O CYS A 5 12.707 6.502 -4.552 1.00 0.00 O ATOM 72 CB CYS A 5 10.208 8.424 -4.831 1.00 0.00 C ATOM 73 SG CYS A 5 9.954 8.491 -6.623 1.00 0.00 S ATOM 0 H CYS A 5 10.928 8.023 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 5 9.466 6.453 -4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.359 8.901 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.091 9.014 -4.583 1.00 0.00 H new ATOM 0 HG CYS A 5 10.672 9.450 -7.127 1.00 0.00 H new ATOM 78 N PRO A 6 11.257 5.418 -5.901 1.00 0.00 N ATOM 79 CA PRO A 6 12.275 4.616 -6.601 1.00 0.00 C ATOM 80 C PRO A 6 13.371 5.462 -7.252 1.00 0.00 C ATOM 81 O PRO A 6 14.477 4.982 -7.493 1.00 0.00 O ATOM 82 CB PRO A 6 11.475 3.859 -7.673 1.00 0.00 C ATOM 83 CG PRO A 6 10.169 4.572 -7.768 1.00 0.00 C ATOM 84 CD PRO A 6 9.903 5.128 -6.402 1.00 0.00 C ATOM 0 HA PRO A 6 12.807 3.967 -5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.997 3.865 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.333 2.815 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.212 5.368 -8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.374 3.892 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.286 6.025 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.381 4.411 -5.768 1.00 0.00 H new ATOM 92 N VAL A 7 13.068 6.722 -7.523 1.00 0.00 N ATOM 93 CA VAL A 7 14.032 7.621 -8.140 1.00 0.00 C ATOM 94 C VAL A 7 14.310 8.813 -7.232 1.00 0.00 C ATOM 95 O VAL A 7 15.062 9.722 -7.588 1.00 0.00 O ATOM 96 CB VAL A 7 13.547 8.124 -9.517 1.00 0.00 C ATOM 97 CG1 VAL A 7 13.472 6.977 -10.512 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.197 8.815 -9.399 1.00 0.00 C ATOM 0 H VAL A 7 12.162 7.146 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 7 14.951 7.054 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 7 14.271 8.852 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.128 7.353 -11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.460 6.531 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.774 6.224 -10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.878 9.160 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.462 8.113 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.282 9.668 -8.725 1.00 0.00 H new ATOM 108 N CYS A 8 13.701 8.797 -6.057 1.00 0.00 N ATOM 109 CA CYS A 8 13.875 9.865 -5.086 1.00 0.00 C ATOM 110 C CYS A 8 14.019 9.273 -3.689 1.00 0.00 C ATOM 111 O CYS A 8 13.140 9.411 -2.833 1.00 0.00 O ATOM 112 CB CYS A 8 12.698 10.843 -5.145 1.00 0.00 C ATOM 113 SG CYS A 8 12.409 11.547 -6.789 1.00 0.00 S ATOM 0 H CYS A 8 13.077 8.050 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 8 14.783 10.419 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.795 10.329 -4.817 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.877 11.654 -4.440 1.00 0.00 H new ATOM 0 HG CYS A 8 12.121 12.810 -6.676 1.00 0.00 H new ATOM 118 N HIS A 9 15.132 8.591 -3.478 1.00 0.00 N ATOM 119 CA HIS A 9 15.383 7.895 -2.227 1.00 0.00 C ATOM 120 C HIS A 9 15.788 8.857 -1.116 1.00 0.00 C ATOM 121 O HIS A 9 16.932 9.309 -1.065 1.00 0.00 O ATOM 122 CB HIS A 9 16.481 6.843 -2.400 1.00 0.00 C ATOM 123 CG HIS A 9 16.115 5.712 -3.311 1.00 0.00 C ATOM 124 ND1 HIS A 9 16.744 5.482 -4.513 1.00 0.00 N ATOM 125 CD2 HIS A 9 15.208 4.718 -3.169 1.00 0.00 C ATOM 126 CE1 HIS A 9 16.239 4.400 -5.070 1.00 0.00 C ATOM 127 NE2 HIS A 9 15.305 3.910 -4.276 1.00 0.00 N ATOM 0 H HIS A 9 15.882 8.504 -4.163 1.00 0.00 H new ATOM 0 HA HIS A 9 14.449 7.408 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.376 7.330 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.736 6.437 -1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.532 4.584 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.540 3.983 -6.020 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.749 3.073 -4.454 1.00 0.00 H new ATOM 136 N HIS A 10 14.832 9.194 -0.257 1.00 0.00 N ATOM 137 CA HIS A 10 15.122 9.893 0.994 1.00 0.00 C ATOM 138 C HIS A 10 13.898 9.867 1.901 1.00 0.00 C ATOM 139 O HIS A 10 13.974 9.420 3.044 1.00 0.00 O ATOM 140 CB HIS A 10 15.632 11.338 0.768 1.00 0.00 C ATOM 141 CG HIS A 10 14.665 12.293 0.122 1.00 0.00 C ATOM 142 ND1 HIS A 10 13.900 13.186 0.843 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.371 12.522 -1.183 1.00 0.00 C ATOM 144 CE1 HIS A 10 13.181 13.920 0.015 1.00 0.00 C ATOM 145 NE2 HIS A 10 13.448 13.541 -1.224 1.00 0.00 N ATOM 0 H HIS A 10 13.843 8.994 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 10 15.937 9.362 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.928 11.751 1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.530 11.291 0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.785 12.000 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.490 14.699 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.038 13.938 -2.069 1.00 0.00 H new ATOM 154 N ALA A 11 12.773 10.302 1.354 1.00 0.00 N ATOM 155 CA ALA A 11 11.497 10.333 2.064 1.00 0.00 C ATOM 156 C ALA A 11 10.448 10.974 1.177 1.00 0.00 C ATOM 157 O ALA A 11 10.787 11.731 0.264 1.00 0.00 O ATOM 158 CB ALA A 11 11.604 11.107 3.373 1.00 0.00 C ATOM 0 H ALA A 11 12.716 10.647 0.396 1.00 0.00 H new ATOM 0 HA ALA A 11 11.213 9.308 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.636 11.109 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.345 10.633 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.908 12.133 3.165 1.00 0.00 H new ATOM 164 N LEU A 12 9.186 10.665 1.426 1.00 0.00 N ATOM 165 CA LEU A 12 8.095 11.277 0.684 1.00 0.00 C ATOM 166 C LEU A 12 7.232 12.111 1.618 1.00 0.00 C ATOM 167 O LEU A 12 7.456 12.136 2.830 1.00 0.00 O ATOM 168 CB LEU A 12 7.239 10.215 -0.020 1.00 0.00 C ATOM 169 CG LEU A 12 7.984 9.338 -1.030 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.010 8.468 -1.814 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.809 10.198 -1.971 1.00 0.00 C ATOM 0 H LEU A 12 8.891 9.994 2.136 1.00 0.00 H new ATOM 0 HA LEU A 12 8.525 11.925 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.794 9.570 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.419 10.716 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 12 8.658 8.681 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.562 7.854 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.463 7.823 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.307 9.103 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.332 9.560 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.152 10.880 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.536 10.772 -1.396 1.00 0.00 H new ATOM 183 N GLU A 13 6.256 12.800 1.053 1.00 0.00 N ATOM 184 CA GLU A 13 5.361 13.625 1.840 1.00 0.00 C ATOM 185 C GLU A 13 4.109 12.838 2.191 1.00 0.00 C ATOM 186 O GLU A 13 3.336 12.465 1.306 1.00 0.00 O ATOM 187 CB GLU A 13 4.981 14.882 1.057 1.00 0.00 C ATOM 188 CG GLU A 13 4.099 15.846 1.832 1.00 0.00 C ATOM 189 CD GLU A 13 3.574 16.972 0.966 1.00 0.00 C ATOM 190 OE1 GLU A 13 4.395 17.729 0.408 1.00 0.00 O ATOM 191 OE2 GLU A 13 2.339 17.096 0.835 1.00 0.00 O ATOM 0 H GLU A 13 6.064 12.803 0.051 1.00 0.00 H new ATOM 0 HA GLU A 13 5.868 13.920 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.892 15.400 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.465 14.587 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.259 15.300 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.666 16.265 2.663 1.00 0.00 H new ATOM 198 N ARG A 14 3.916 12.565 3.473 1.00 0.00 N ATOM 199 CA ARG A 14 2.714 11.882 3.912 1.00 0.00 C ATOM 200 C ARG A 14 1.556 12.869 3.965 1.00 0.00 C ATOM 201 O ARG A 14 1.361 13.583 4.948 1.00 0.00 O ATOM 202 CB ARG A 14 2.922 11.199 5.264 1.00 0.00 C ATOM 203 CG ARG A 14 1.682 10.487 5.783 1.00 0.00 C ATOM 204 CD ARG A 14 2.007 9.563 6.943 1.00 0.00 C ATOM 205 NE ARG A 14 2.804 10.224 7.975 1.00 0.00 N ATOM 206 CZ ARG A 14 3.083 9.684 9.160 1.00 0.00 C ATOM 207 NH1 ARG A 14 2.577 8.499 9.486 1.00 0.00 N ATOM 208 NH2 ARG A 14 3.856 10.337 10.016 1.00 0.00 N ATOM 0 H ARG A 14 4.570 12.804 4.218 1.00 0.00 H new ATOM 0 HA ARG A 14 2.476 11.098 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.735 10.478 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.235 11.945 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.946 11.225 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.229 9.912 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.080 9.197 7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.549 8.693 6.571 1.00 0.00 H new ATOM 0 HE ARG A 14 3.169 11.155 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.975 8.003 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.791 8.085 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.235 11.250 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.072 9.926 10.924 1.00 0.00 H new ATOM 222 N ASN A 15 0.818 12.921 2.872 1.00 0.00 N ATOM 223 CA ASN A 15 -0.300 13.835 2.730 1.00 0.00 C ATOM 224 C ASN A 15 -1.607 13.061 2.794 1.00 0.00 C ATOM 225 O ASN A 15 -1.966 12.355 1.850 1.00 0.00 O ATOM 226 CB ASN A 15 -0.190 14.588 1.399 1.00 0.00 C ATOM 227 CG ASN A 15 -1.270 15.639 1.221 1.00 0.00 C ATOM 228 OD1 ASN A 15 -1.756 16.215 2.194 1.00 0.00 O ATOM 229 ND2 ASN A 15 -1.652 15.897 -0.020 1.00 0.00 N ATOM 0 H ASN A 15 0.977 12.330 2.056 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.280 14.559 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.788 15.066 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.247 13.873 0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.374 16.595 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.224 15.397 -0.800 1.00 0.00 H new ATOM 236 N GLY A 16 -2.296 13.167 3.918 1.00 0.00 N ATOM 237 CA GLY A 16 -3.524 12.423 4.109 1.00 0.00 C ATOM 238 C GLY A 16 -3.260 10.940 4.256 1.00 0.00 C ATOM 239 O GLY A 16 -4.015 10.112 3.739 1.00 0.00 O ATOM 0 H GLY A 16 -2.026 13.757 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.039 12.791 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.188 12.593 3.262 1.00 0.00 H new ATOM 243 N ASP A 17 -2.161 10.618 4.938 1.00 0.00 N ATOM 244 CA ASP A 17 -1.717 9.235 5.146 1.00 0.00 C ATOM 245 C ASP A 17 -1.339 8.583 3.813 1.00 0.00 C ATOM 246 O ASP A 17 -1.150 7.373 3.719 1.00 0.00 O ATOM 247 CB ASP A 17 -2.797 8.423 5.871 1.00 0.00 C ATOM 248 CG ASP A 17 -2.231 7.210 6.582 1.00 0.00 C ATOM 249 OD1 ASP A 17 -1.376 7.395 7.477 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.643 6.077 6.264 1.00 0.00 O ATOM 0 H ASP A 17 -1.548 11.312 5.365 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.828 9.250 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.302 9.062 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.549 8.100 5.151 1.00 0.00 H new ATOM 255 N THR A 18 -1.205 9.414 2.788 1.00 0.00 N ATOM 256 CA THR A 18 -0.823 8.962 1.461 1.00 0.00 C ATOM 257 C THR A 18 0.585 9.478 1.149 1.00 0.00 C ATOM 258 O THR A 18 1.094 10.335 1.869 1.00 0.00 O ATOM 259 CB THR A 18 -1.837 9.481 0.419 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.162 9.373 0.956 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.761 8.691 -0.882 1.00 0.00 C ATOM 0 H THR A 18 -1.359 10.420 2.855 1.00 0.00 H new ATOM 0 HA THR A 18 -0.822 7.873 1.423 1.00 0.00 H new ATOM 0 HB THR A 18 -1.594 10.521 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.331 10.123 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.489 9.086 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.760 8.780 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.979 7.642 -0.684 1.00 0.00 H new ATOM 269 N ALA A 19 1.216 8.982 0.094 1.00 0.00 N ATOM 270 CA ALA A 19 2.591 9.361 -0.197 1.00 0.00 C ATOM 271 C ALA A 19 2.683 10.222 -1.448 1.00 0.00 C ATOM 272 O ALA A 19 2.600 9.727 -2.568 1.00 0.00 O ATOM 273 CB ALA A 19 3.460 8.125 -0.350 1.00 0.00 C ATOM 0 H ALA A 19 0.804 8.324 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 19 2.954 9.952 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.485 8.425 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.439 7.549 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.080 7.512 -1.168 1.00 0.00 H new ATOM 279 N HIS A 20 2.848 11.513 -1.244 1.00 0.00 N ATOM 280 CA HIS A 20 3.010 12.442 -2.346 1.00 0.00 C ATOM 281 C HIS A 20 4.494 12.706 -2.560 1.00 0.00 C ATOM 282 O HIS A 20 5.195 13.112 -1.634 1.00 0.00 O ATOM 283 CB HIS A 20 2.266 13.751 -2.044 1.00 0.00 C ATOM 284 CG HIS A 20 2.227 14.721 -3.192 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.174 14.794 -4.077 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.111 15.668 -3.590 1.00 0.00 C ATOM 287 CE1 HIS A 20 1.409 15.740 -4.966 1.00 0.00 C ATOM 288 NE2 HIS A 20 2.579 16.287 -4.693 1.00 0.00 N ATOM 0 H HIS A 20 2.874 11.945 -0.321 1.00 0.00 H new ATOM 0 HA HIS A 20 2.588 12.013 -3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.244 13.514 -1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.740 14.236 -1.190 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.340 14.207 -4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.059 15.894 -3.125 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.755 16.019 -5.779 1.00 0.00 H new ATOM 297 N CYS A 21 4.983 12.462 -3.763 1.00 0.00 N ATOM 298 CA CYS A 21 6.385 12.705 -4.054 1.00 0.00 C ATOM 299 C CYS A 21 6.615 14.186 -4.289 1.00 0.00 C ATOM 300 O CYS A 21 5.949 14.803 -5.123 1.00 0.00 O ATOM 301 CB CYS A 21 6.863 11.904 -5.263 1.00 0.00 C ATOM 302 SG CYS A 21 8.619 12.140 -5.645 1.00 0.00 S ATOM 0 H CYS A 21 4.438 12.100 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 21 6.964 12.376 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.679 10.845 -5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.270 12.187 -6.133 1.00 0.00 H new ATOM 0 HG CYS A 21 8.848 11.779 -6.873 1.00 0.00 H new ATOM 307 N GLU A 22 7.554 14.743 -3.542 1.00 0.00 N ATOM 308 CA GLU A 22 7.877 16.162 -3.614 1.00 0.00 C ATOM 309 C GLU A 22 8.328 16.558 -5.022 1.00 0.00 C ATOM 310 O GLU A 22 7.856 17.547 -5.582 1.00 0.00 O ATOM 311 CB GLU A 22 8.982 16.486 -2.602 1.00 0.00 C ATOM 312 CG GLU A 22 9.396 17.948 -2.581 1.00 0.00 C ATOM 313 CD GLU A 22 10.592 18.195 -1.686 1.00 0.00 C ATOM 314 OE1 GLU A 22 11.731 18.015 -2.158 1.00 0.00 O ATOM 315 OE2 GLU A 22 10.399 18.567 -0.509 1.00 0.00 O ATOM 0 H GLU A 22 8.116 14.225 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 22 6.979 16.732 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.642 16.202 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.856 15.875 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.631 18.271 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.558 18.556 -2.239 1.00 0.00 H new ATOM 322 N THR A 23 9.226 15.769 -5.598 1.00 0.00 N ATOM 323 CA THR A 23 9.854 16.134 -6.859 1.00 0.00 C ATOM 324 C THR A 23 9.075 15.633 -8.073 1.00 0.00 C ATOM 325 O THR A 23 8.992 16.320 -9.088 1.00 0.00 O ATOM 326 CB THR A 23 11.304 15.615 -6.919 1.00 0.00 C ATOM 327 OG1 THR A 23 11.329 14.190 -6.760 1.00 0.00 O ATOM 328 CG2 THR A 23 12.146 16.253 -5.827 1.00 0.00 C ATOM 0 H THR A 23 9.534 14.876 -5.213 1.00 0.00 H new ATOM 0 HA THR A 23 9.855 17.223 -6.898 1.00 0.00 H new ATOM 0 HB THR A 23 11.718 15.881 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.422 13.865 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.166 15.874 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.153 17.335 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.724 16.008 -4.852 1.00 0.00 H new ATOM 336 N CYS A 24 8.496 14.441 -7.972 1.00 0.00 N ATOM 337 CA CYS A 24 7.783 13.854 -9.103 1.00 0.00 C ATOM 338 C CYS A 24 6.344 14.355 -9.165 1.00 0.00 C ATOM 339 O CYS A 24 5.686 14.233 -10.199 1.00 0.00 O ATOM 340 CB CYS A 24 7.802 12.325 -9.024 1.00 0.00 C ATOM 341 SG CYS A 24 9.455 11.598 -9.100 1.00 0.00 S ATOM 0 H CYS A 24 8.505 13.867 -7.129 1.00 0.00 H new ATOM 0 HA CYS A 24 8.296 14.165 -10.013 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.323 12.015 -8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.203 11.923 -9.841 1.00 0.00 H new ATOM 0 HG CYS A 24 9.364 10.303 -9.023 1.00 0.00 H new ATOM 346 N ALA A 25 5.863 14.906 -8.044 1.00 0.00 N ATOM 347 CA ALA A 25 4.504 15.445 -7.944 1.00 0.00 C ATOM 348 C ALA A 25 3.453 14.354 -8.151 1.00 0.00 C ATOM 349 O ALA A 25 2.283 14.639 -8.402 1.00 0.00 O ATOM 350 CB ALA A 25 4.305 16.588 -8.932 1.00 0.00 C ATOM 0 H ALA A 25 6.404 14.990 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 25 4.374 15.837 -6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.290 16.974 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.017 17.384 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.466 16.224 -9.947 1.00 0.00 H new ATOM 356 N LYS A 26 3.876 13.106 -8.020 1.00 0.00 N ATOM 357 CA LYS A 26 2.980 11.973 -8.171 1.00 0.00 C ATOM 358 C LYS A 26 2.441 11.551 -6.812 1.00 0.00 C ATOM 359 O LYS A 26 3.122 11.706 -5.791 1.00 0.00 O ATOM 360 CB LYS A 26 3.707 10.799 -8.831 1.00 0.00 C ATOM 361 CG LYS A 26 4.223 11.100 -10.231 1.00 0.00 C ATOM 362 CD LYS A 26 5.008 9.929 -10.801 1.00 0.00 C ATOM 363 CE LYS A 26 5.535 10.226 -12.199 1.00 0.00 C ATOM 364 NZ LYS A 26 4.444 10.387 -13.197 1.00 0.00 N ATOM 0 H LYS A 26 4.841 12.853 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 26 2.148 12.271 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.546 10.504 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.030 9.946 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.384 11.330 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.858 11.986 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.843 9.695 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.370 9.046 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.135 11.135 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.195 9.418 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.853 10.452 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.806 9.567 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.909 11.255 -12.990 1.00 0.00 H new ATOM 378 N ASP A 27 1.223 11.036 -6.796 1.00 0.00 N ATOM 379 CA ASP A 27 0.607 10.572 -5.562 1.00 0.00 C ATOM 380 C ASP A 27 0.574 9.056 -5.524 1.00 0.00 C ATOM 381 O ASP A 27 -0.116 8.413 -6.320 1.00 0.00 O ATOM 382 CB ASP A 27 -0.809 11.132 -5.404 1.00 0.00 C ATOM 383 CG ASP A 27 -0.811 12.611 -5.080 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.750 12.965 -3.882 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.864 13.433 -6.018 1.00 0.00 O ATOM 0 H ASP A 27 0.639 10.928 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 27 1.211 10.935 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.368 10.964 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.326 10.589 -4.613 1.00 0.00 H new ATOM 390 N PHE A 28 1.334 8.493 -4.606 1.00 0.00 N ATOM 391 CA PHE A 28 1.413 7.056 -4.444 1.00 0.00 C ATOM 392 C PHE A 28 0.581 6.634 -3.243 1.00 0.00 C ATOM 393 O PHE A 28 0.808 7.099 -2.125 1.00 0.00 O ATOM 394 CB PHE A 28 2.866 6.619 -4.244 1.00 0.00 C ATOM 395 CG PHE A 28 3.804 7.088 -5.323 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.882 6.419 -6.535 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.616 8.193 -5.118 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.749 6.848 -7.522 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.484 8.625 -6.102 1.00 0.00 C ATOM 400 CZ PHE A 28 5.552 7.950 -7.305 1.00 0.00 C ATOM 0 H PHE A 28 1.914 9.019 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 28 1.026 6.578 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.218 6.995 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.903 5.531 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.259 5.554 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.569 8.722 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.798 6.321 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.109 9.489 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.232 8.284 -8.075 1.00 0.00 H new ATOM 410 N SER A 29 -0.389 5.771 -3.477 1.00 0.00 N ATOM 411 CA SER A 29 -1.270 5.320 -2.414 1.00 0.00 C ATOM 412 C SER A 29 -0.612 4.189 -1.630 1.00 0.00 C ATOM 413 O SER A 29 0.144 3.390 -2.191 1.00 0.00 O ATOM 414 CB SER A 29 -2.611 4.858 -2.999 1.00 0.00 C ATOM 415 OG SER A 29 -3.559 4.593 -1.978 1.00 0.00 O ATOM 0 H SER A 29 -0.588 5.368 -4.393 1.00 0.00 H new ATOM 0 HA SER A 29 -1.456 6.151 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.001 5.625 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.458 3.960 -3.597 1.00 0.00 H new ATOM 0 HG SER A 29 -4.403 4.303 -2.383 1.00 0.00 H new ATOM 421 N LEU A 30 -0.908 4.122 -0.342 1.00 0.00 N ATOM 422 CA LEU A 30 -0.365 3.081 0.513 1.00 0.00 C ATOM 423 C LEU A 30 -1.396 1.989 0.704 1.00 0.00 C ATOM 424 O LEU A 30 -2.437 2.206 1.323 1.00 0.00 O ATOM 425 CB LEU A 30 0.056 3.633 1.882 1.00 0.00 C ATOM 426 CG LEU A 30 1.389 4.389 1.926 1.00 0.00 C ATOM 427 CD1 LEU A 30 2.511 3.537 1.355 1.00 0.00 C ATOM 428 CD2 LEU A 30 1.289 5.712 1.187 1.00 0.00 C ATOM 0 H LEU A 30 -1.524 4.780 0.135 1.00 0.00 H new ATOM 0 HA LEU A 30 0.522 2.677 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.728 4.301 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.110 2.802 2.585 1.00 0.00 H new ATOM 0 HG LEU A 30 1.620 4.603 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.447 4.093 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.607 2.622 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.285 3.284 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.248 6.228 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.026 5.528 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.521 6.331 1.651 1.00 0.00 H new ATOM 440 N GLN A 31 -1.111 0.823 0.160 1.00 0.00 N ATOM 441 CA GLN A 31 -2.018 -0.302 0.261 1.00 0.00 C ATOM 442 C GLN A 31 -1.410 -1.378 1.139 1.00 0.00 C ATOM 443 O GLN A 31 -0.225 -1.693 1.016 1.00 0.00 O ATOM 444 CB GLN A 31 -2.338 -0.856 -1.129 1.00 0.00 C ATOM 445 CG GLN A 31 -3.084 0.126 -2.015 1.00 0.00 C ATOM 446 CD GLN A 31 -3.331 -0.413 -3.409 1.00 0.00 C ATOM 447 OE1 GLN A 31 -4.344 -1.053 -3.671 1.00 0.00 O ATOM 448 NE2 GLN A 31 -2.408 -0.150 -4.320 1.00 0.00 N ATOM 0 H GLN A 31 -0.254 0.630 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.950 0.034 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.408 -1.143 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.934 -1.762 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.039 0.374 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.513 1.052 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.578 0.386 -4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.526 -0.483 -5.277 1.00 0.00 H new ATOM 457 N ALA A 32 -2.218 -1.916 2.037 1.00 0.00 N ATOM 458 CA ALA A 32 -1.774 -2.964 2.938 1.00 0.00 C ATOM 459 C ALA A 32 -1.775 -4.311 2.225 1.00 0.00 C ATOM 460 O ALA A 32 -2.825 -4.918 2.028 1.00 0.00 O ATOM 461 CB ALA A 32 -2.665 -3.001 4.172 1.00 0.00 C ATOM 0 H ALA A 32 -3.192 -1.641 2.161 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.753 -2.751 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.325 -3.790 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.615 -2.041 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.694 -3.198 3.872 1.00 0.00 H new ATOM 467 N LEU A 33 -0.599 -4.753 1.808 1.00 0.00 N ATOM 468 CA LEU A 33 -0.466 -6.024 1.115 1.00 0.00 C ATOM 469 C LEU A 33 -0.008 -7.117 2.067 1.00 0.00 C ATOM 470 O LEU A 33 0.794 -6.878 2.976 1.00 0.00 O ATOM 471 CB LEU A 33 0.514 -5.916 -0.062 1.00 0.00 C ATOM 472 CG LEU A 33 -0.092 -5.462 -1.396 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.226 -6.387 -1.811 1.00 0.00 C ATOM 474 CD2 LEU A 33 -0.575 -4.023 -1.320 1.00 0.00 C ATOM 0 H LEU A 33 0.278 -4.249 1.938 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.450 -6.286 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.306 -5.219 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.983 -6.889 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 33 0.690 -5.512 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.643 -6.049 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.845 -7.402 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.004 -6.374 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.999 -3.730 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.337 -3.935 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.264 -3.370 -1.080 1.00 0.00 H new ATOM 486 N CYS A 34 -0.527 -8.313 1.850 1.00 0.00 N ATOM 487 CA CYS A 34 -0.165 -9.468 2.647 1.00 0.00 C ATOM 488 C CYS A 34 0.793 -10.344 1.838 1.00 0.00 C ATOM 489 O CYS A 34 0.433 -10.829 0.769 1.00 0.00 O ATOM 490 CB CYS A 34 -1.435 -10.241 3.025 1.00 0.00 C ATOM 491 SG CYS A 34 -1.257 -11.372 4.426 1.00 0.00 S ATOM 0 H CYS A 34 -1.210 -8.509 1.118 1.00 0.00 H new ATOM 0 HA CYS A 34 0.333 -9.159 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.223 -9.524 3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.766 -10.812 2.157 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.485 -12.362 4.089 1.00 0.00 H new ATOM 496 N PRO A 35 2.025 -10.546 2.335 1.00 0.00 N ATOM 497 CA PRO A 35 3.103 -11.233 1.594 1.00 0.00 C ATOM 498 C PRO A 35 2.680 -12.567 0.969 1.00 0.00 C ATOM 499 O PRO A 35 3.022 -12.863 -0.175 1.00 0.00 O ATOM 500 CB PRO A 35 4.163 -11.472 2.669 1.00 0.00 C ATOM 501 CG PRO A 35 3.948 -10.385 3.663 1.00 0.00 C ATOM 502 CD PRO A 35 2.470 -10.110 3.671 1.00 0.00 C ATOM 0 HA PRO A 35 3.435 -10.635 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.048 -12.455 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.168 -11.431 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.293 -10.688 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.509 -9.491 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.964 -10.664 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.260 -9.053 3.838 1.00 0.00 H new ATOM 510 N ASP A 36 1.934 -13.360 1.726 1.00 0.00 N ATOM 511 CA ASP A 36 1.509 -14.691 1.283 1.00 0.00 C ATOM 512 C ASP A 36 0.401 -14.609 0.239 1.00 0.00 C ATOM 513 O ASP A 36 0.175 -15.556 -0.514 1.00 0.00 O ATOM 514 CB ASP A 36 1.000 -15.497 2.477 1.00 0.00 C ATOM 515 CG ASP A 36 -0.217 -14.848 3.098 1.00 0.00 C ATOM 516 OD1 ASP A 36 -0.083 -13.796 3.730 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.343 -15.340 2.934 1.00 0.00 O ATOM 0 H ASP A 36 1.606 -13.106 2.658 1.00 0.00 H new ATOM 0 HA ASP A 36 2.374 -15.179 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.752 -16.509 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.790 -15.584 3.223 1.00 0.00 H new ATOM 522 N CYS A 37 -0.286 -13.479 0.194 1.00 0.00 N ATOM 523 CA CYS A 37 -1.445 -13.335 -0.667 1.00 0.00 C ATOM 524 C CYS A 37 -1.580 -11.903 -1.171 1.00 0.00 C ATOM 525 O CYS A 37 -2.188 -11.055 -0.516 1.00 0.00 O ATOM 526 CB CYS A 37 -2.719 -13.781 0.071 1.00 0.00 C ATOM 527 SG CYS A 37 -2.860 -13.193 1.786 1.00 0.00 S ATOM 0 H CYS A 37 -0.060 -12.650 0.744 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.307 -13.979 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.586 -13.432 -0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.758 -14.870 0.072 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.605 -14.172 2.603 1.00 0.00 H new ATOM 532 N ARG A 38 -0.979 -11.630 -2.324 1.00 0.00 N ATOM 533 CA ARG A 38 -1.086 -10.318 -2.944 1.00 0.00 C ATOM 534 C ARG A 38 -2.429 -10.187 -3.642 1.00 0.00 C ATOM 535 O ARG A 38 -2.559 -10.418 -4.846 1.00 0.00 O ATOM 536 CB ARG A 38 0.065 -10.068 -3.920 1.00 0.00 C ATOM 537 CG ARG A 38 1.416 -9.933 -3.237 1.00 0.00 C ATOM 538 CD ARG A 38 2.535 -9.702 -4.241 1.00 0.00 C ATOM 539 NE ARG A 38 2.632 -10.794 -5.204 1.00 0.00 N ATOM 540 CZ ARG A 38 3.542 -11.762 -5.139 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.440 -11.775 -4.161 1.00 0.00 N ATOM 542 NH2 ARG A 38 3.547 -12.722 -6.051 1.00 0.00 N ATOM 0 H ARG A 38 -0.414 -12.300 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.019 -9.560 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.109 -10.888 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.140 -9.160 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.385 -9.104 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.624 -10.835 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.361 -8.765 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.482 -9.598 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 38 1.962 -10.816 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.435 -11.040 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.135 -12.520 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.855 -12.717 -6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.243 -13.466 -6.005 1.00 0.00 H new ATOM 556 N GLN A 39 -3.426 -9.855 -2.850 1.00 0.00 N ATOM 557 CA GLN A 39 -4.792 -9.734 -3.310 1.00 0.00 C ATOM 558 C GLN A 39 -5.497 -8.722 -2.422 1.00 0.00 C ATOM 559 O GLN A 39 -4.895 -8.230 -1.465 1.00 0.00 O ATOM 560 CB GLN A 39 -5.496 -11.096 -3.216 1.00 0.00 C ATOM 561 CG GLN A 39 -5.722 -11.559 -1.783 1.00 0.00 C ATOM 562 CD GLN A 39 -6.414 -12.903 -1.695 1.00 0.00 C ATOM 563 OE1 GLN A 39 -7.182 -13.282 -2.578 1.00 0.00 O ATOM 564 NE2 GLN A 39 -6.163 -13.628 -0.617 1.00 0.00 N ATOM 0 H GLN A 39 -3.309 -9.659 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.816 -9.406 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.457 -11.037 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.901 -11.842 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.762 -11.617 -1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.319 -10.814 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.520 -13.279 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.613 -14.536 -0.497 1.00 0.00 H new ATOM 573 N PRO A 40 -6.754 -8.365 -2.718 1.00 0.00 N ATOM 574 CA PRO A 40 -7.562 -7.595 -1.784 1.00 0.00 C ATOM 575 C PRO A 40 -7.817 -8.393 -0.508 1.00 0.00 C ATOM 576 O PRO A 40 -8.712 -9.236 -0.472 1.00 0.00 O ATOM 577 CB PRO A 40 -8.874 -7.343 -2.536 1.00 0.00 C ATOM 578 CG PRO A 40 -8.565 -7.616 -3.969 1.00 0.00 C ATOM 579 CD PRO A 40 -7.469 -8.643 -3.973 1.00 0.00 C ATOM 0 HA PRO A 40 -7.075 -6.670 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.667 -7.997 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.217 -6.318 -2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.446 -7.985 -4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.248 -6.706 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.866 -9.658 -3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.818 -8.536 -4.841 1.00 0.00 H new ATOM 587 N LEU A 41 -6.980 -8.154 0.505 1.00 0.00 N ATOM 588 CA LEU A 41 -7.103 -8.810 1.812 1.00 0.00 C ATOM 589 C LEU A 41 -8.558 -8.835 2.271 1.00 0.00 C ATOM 590 O LEU A 41 -9.106 -9.886 2.611 1.00 0.00 O ATOM 591 CB LEU A 41 -6.254 -8.067 2.857 1.00 0.00 C ATOM 592 CG LEU A 41 -4.747 -8.370 2.865 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.074 -7.928 1.579 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.080 -7.708 4.063 1.00 0.00 C ATOM 0 H LEU A 41 -6.199 -7.501 0.444 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.747 -9.835 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.385 -6.996 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.653 -8.297 3.845 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.631 -9.451 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.010 -8.161 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.523 -8.452 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.205 -6.854 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.013 -7.932 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.225 -6.629 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.524 -8.089 4.983 1.00 0.00 H new ATOM 606 N GLN A 42 -9.142 -7.648 2.269 1.00 0.00 N ATOM 607 CA GLN A 42 -10.547 -7.413 2.574 1.00 0.00 C ATOM 608 C GLN A 42 -10.701 -5.910 2.695 1.00 0.00 C ATOM 609 O GLN A 42 -10.159 -5.305 3.621 1.00 0.00 O ATOM 610 CB GLN A 42 -10.983 -8.085 3.880 1.00 0.00 C ATOM 611 CG GLN A 42 -12.481 -8.304 3.988 1.00 0.00 C ATOM 612 CD GLN A 42 -12.915 -9.632 3.400 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.176 -10.619 3.449 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.104 -9.662 2.823 1.00 0.00 N ATOM 0 H GLN A 42 -8.635 -6.791 2.048 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.174 -7.838 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.478 -9.047 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.654 -7.473 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.777 -8.260 5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.002 -7.495 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.683 -8.823 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.442 -10.524 2.396 1.00 0.00 H new ATOM 623 N VAL A 43 -11.386 -5.298 1.747 1.00 0.00 N ATOM 624 CA VAL A 43 -11.392 -3.848 1.656 1.00 0.00 C ATOM 625 C VAL A 43 -12.335 -3.230 2.679 1.00 0.00 C ATOM 626 O VAL A 43 -13.542 -3.100 2.448 1.00 0.00 O ATOM 627 CB VAL A 43 -11.769 -3.359 0.240 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.593 -1.851 0.122 1.00 0.00 C ATOM 629 CG2 VAL A 43 -10.946 -4.082 -0.814 1.00 0.00 C ATOM 0 H VAL A 43 -11.940 -5.775 1.036 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.375 -3.522 1.872 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.821 -3.590 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.865 -1.531 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.235 -1.352 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.553 -1.590 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.227 -3.723 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.887 -3.888 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.133 -5.154 -0.750 1.00 0.00 H new ATOM 639 N LEU A 44 -11.770 -2.853 3.809 1.00 0.00 N ATOM 640 CA LEU A 44 -12.526 -2.258 4.888 1.00 0.00 C ATOM 641 C LEU A 44 -12.439 -0.746 4.776 1.00 0.00 C ATOM 642 O LEU A 44 -11.358 -0.166 4.865 1.00 0.00 O ATOM 643 CB LEU A 44 -11.973 -2.740 6.232 1.00 0.00 C ATOM 644 CG LEU A 44 -11.738 -4.253 6.319 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.194 -4.641 7.681 1.00 0.00 C ATOM 646 CD2 LEU A 44 -13.020 -5.017 6.023 1.00 0.00 C ATOM 0 H LEU A 44 -10.773 -2.951 4.003 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.572 -2.557 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.031 -2.227 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.665 -2.447 7.021 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.996 -4.519 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.036 -5.719 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.247 -4.130 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.907 -4.353 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.829 -6.088 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.785 -4.738 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.365 -4.773 5.018 1.00 0.00 H new ATOM 658 N LYS A 45 -13.576 -0.113 4.556 1.00 0.00 N ATOM 659 CA LYS A 45 -13.603 1.312 4.272 1.00 0.00 C ATOM 660 C LYS A 45 -14.092 2.112 5.474 1.00 0.00 C ATOM 661 O LYS A 45 -15.059 1.734 6.139 1.00 0.00 O ATOM 662 CB LYS A 45 -14.478 1.585 3.045 1.00 0.00 C ATOM 663 CG LYS A 45 -15.857 0.953 3.124 1.00 0.00 C ATOM 664 CD LYS A 45 -16.628 1.113 1.825 1.00 0.00 C ATOM 665 CE LYS A 45 -15.959 0.371 0.674 1.00 0.00 C ATOM 666 NZ LYS A 45 -15.854 -1.091 0.937 1.00 0.00 N ATOM 0 H LYS A 45 -14.492 -0.561 4.568 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.584 1.636 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.589 2.662 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.968 1.213 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.758 -0.107 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.419 1.409 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.643 0.739 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.707 2.172 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.528 0.534 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.963 0.782 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.601 -1.585 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.120 -1.263 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.767 -1.448 1.284 1.00 0.00 H new ATOM 680 N ALA A 46 -13.395 3.204 5.751 1.00 0.00 N ATOM 681 CA ALA A 46 -13.748 4.099 6.838 1.00 0.00 C ATOM 682 C ALA A 46 -14.299 5.408 6.273 1.00 0.00 C ATOM 683 O ALA A 46 -14.835 5.428 5.164 1.00 0.00 O ATOM 684 CB ALA A 46 -12.523 4.347 7.706 1.00 0.00 C ATOM 0 H ALA A 46 -12.569 3.493 5.227 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.523 3.645 7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.786 5.019 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.169 3.401 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.736 4.799 7.103 1.00 0.00 H new ATOM 690 N CYS A 47 -14.192 6.488 7.035 1.00 0.00 N ATOM 691 CA CYS A 47 -14.639 7.791 6.561 1.00 0.00 C ATOM 692 C CYS A 47 -13.652 8.361 5.545 1.00 0.00 C ATOM 693 O CYS A 47 -14.010 8.621 4.395 1.00 0.00 O ATOM 694 CB CYS A 47 -14.803 8.758 7.735 1.00 0.00 C ATOM 695 SG CYS A 47 -15.898 8.153 9.040 1.00 0.00 S ATOM 0 H CYS A 47 -13.802 6.489 7.978 1.00 0.00 H new ATOM 0 HA CYS A 47 -15.605 7.664 6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.822 8.962 8.164 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.190 9.705 7.360 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.972 9.038 9.989 1.00 0.00 H new ATOM 701 N GLY A 48 -12.404 8.529 5.961 1.00 0.00 N ATOM 702 CA GLY A 48 -11.401 9.099 5.079 1.00 0.00 C ATOM 703 C GLY A 48 -10.177 8.218 4.950 1.00 0.00 C ATOM 704 O GLY A 48 -9.044 8.708 4.968 1.00 0.00 O ATOM 0 H GLY A 48 -12.067 8.282 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.837 9.257 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.103 10.077 5.457 1.00 0.00 H new ATOM 708 N ALA A 49 -10.405 6.919 4.804 1.00 0.00 N ATOM 709 CA ALA A 49 -9.321 5.952 4.724 1.00 0.00 C ATOM 710 C ALA A 49 -9.841 4.586 4.298 1.00 0.00 C ATOM 711 O ALA A 49 -10.875 4.124 4.785 1.00 0.00 O ATOM 712 CB ALA A 49 -8.606 5.839 6.065 1.00 0.00 C ATOM 0 H ALA A 49 -11.337 6.510 4.738 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.613 6.304 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.798 5.111 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.194 6.810 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.313 5.515 6.828 1.00 0.00 H new ATOM 718 N VAL A 50 -9.126 3.952 3.382 1.00 0.00 N ATOM 719 CA VAL A 50 -9.440 2.591 2.976 1.00 0.00 C ATOM 720 C VAL A 50 -8.365 1.641 3.484 1.00 0.00 C ATOM 721 O VAL A 50 -7.172 1.883 3.304 1.00 0.00 O ATOM 722 CB VAL A 50 -9.592 2.455 1.442 1.00 0.00 C ATOM 723 CG1 VAL A 50 -10.847 3.173 0.967 1.00 0.00 C ATOM 724 CG2 VAL A 50 -8.366 3.000 0.718 1.00 0.00 C ATOM 0 H VAL A 50 -8.322 4.359 2.904 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.402 2.330 3.418 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.682 1.395 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.939 3.068 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.721 2.736 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.781 4.230 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.501 2.891 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.238 4.054 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.482 2.445 1.031 1.00 0.00 H new ATOM 734 N ASP A 51 -8.788 0.578 4.141 1.00 0.00 N ATOM 735 CA ASP A 51 -7.858 -0.341 4.774 1.00 0.00 C ATOM 736 C ASP A 51 -7.983 -1.736 4.182 1.00 0.00 C ATOM 737 O ASP A 51 -9.078 -2.184 3.841 1.00 0.00 O ATOM 738 CB ASP A 51 -8.117 -0.378 6.281 1.00 0.00 C ATOM 739 CG ASP A 51 -7.169 -1.293 7.029 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.958 -0.996 7.072 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.638 -2.297 7.607 1.00 0.00 O ATOM 0 H ASP A 51 -9.771 0.328 4.251 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.843 0.011 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.029 0.631 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.142 -0.704 6.459 1.00 0.00 H new ATOM 746 N TYR A 52 -6.856 -2.412 4.043 1.00 0.00 N ATOM 747 CA TYR A 52 -6.839 -3.775 3.543 1.00 0.00 C ATOM 748 C TYR A 52 -6.439 -4.722 4.662 1.00 0.00 C ATOM 749 O TYR A 52 -5.273 -4.804 5.042 1.00 0.00 O ATOM 750 CB TYR A 52 -5.893 -3.907 2.346 1.00 0.00 C ATOM 751 CG TYR A 52 -6.422 -3.261 1.084 1.00 0.00 C ATOM 752 CD1 TYR A 52 -6.389 -1.881 0.912 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.967 -4.034 0.067 1.00 0.00 C ATOM 754 CE1 TYR A 52 -6.882 -1.293 -0.238 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.458 -3.454 -1.087 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.418 -2.084 -1.233 1.00 0.00 C ATOM 757 OH TYR A 52 -7.917 -1.504 -2.379 1.00 0.00 O ATOM 0 H TYR A 52 -5.936 -2.036 4.271 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.839 -4.039 3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.933 -3.457 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.708 -4.964 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.971 -1.259 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.008 -5.107 0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.848 -0.220 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.871 -4.071 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.256 -2.202 -2.978 1.00 0.00 H new ATOM 767 N PHE A 53 -7.425 -5.414 5.199 1.00 0.00 N ATOM 768 CA PHE A 53 -7.222 -6.267 6.365 1.00 0.00 C ATOM 769 C PHE A 53 -7.867 -7.622 6.129 1.00 0.00 C ATOM 770 O PHE A 53 -9.069 -7.699 5.917 1.00 0.00 O ATOM 771 CB PHE A 53 -7.835 -5.581 7.589 1.00 0.00 C ATOM 772 CG PHE A 53 -7.547 -6.250 8.900 1.00 0.00 C ATOM 773 CD1 PHE A 53 -6.296 -6.141 9.486 1.00 0.00 C ATOM 774 CD2 PHE A 53 -8.534 -6.964 9.559 1.00 0.00 C ATOM 775 CE1 PHE A 53 -6.036 -6.734 10.704 1.00 0.00 C ATOM 776 CE2 PHE A 53 -8.278 -7.561 10.776 1.00 0.00 C ATOM 777 CZ PHE A 53 -7.028 -7.445 11.349 1.00 0.00 C ATOM 0 H PHE A 53 -8.382 -5.405 4.847 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.157 -6.423 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.469 -4.555 7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.915 -5.528 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.517 -5.586 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.515 -7.054 9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.058 -6.642 11.152 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.054 -8.118 11.279 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.826 -7.911 12.302 1.00 0.00 H new ATOM 787 N CYS A 54 -7.081 -8.685 6.203 1.00 0.00 N ATOM 788 CA CYS A 54 -7.574 -10.013 5.860 1.00 0.00 C ATOM 789 C CYS A 54 -8.624 -10.489 6.859 1.00 0.00 C ATOM 790 O CYS A 54 -8.341 -10.662 8.044 1.00 0.00 O ATOM 791 CB CYS A 54 -6.433 -11.042 5.838 1.00 0.00 C ATOM 792 SG CYS A 54 -5.348 -11.024 4.391 1.00 0.00 S ATOM 0 H CYS A 54 -6.104 -8.656 6.496 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.019 -9.933 4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.819 -10.888 6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.871 -12.037 5.922 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.289 -11.739 4.633 1.00 0.00 H new ATOM 797 N GLN A 55 -9.841 -10.678 6.371 1.00 0.00 N ATOM 798 CA GLN A 55 -10.885 -11.312 7.156 1.00 0.00 C ATOM 799 C GLN A 55 -11.217 -12.677 6.565 1.00 0.00 C ATOM 800 O GLN A 55 -11.085 -13.704 7.229 1.00 0.00 O ATOM 801 CB GLN A 55 -12.148 -10.446 7.217 1.00 0.00 C ATOM 802 CG GLN A 55 -11.990 -9.167 8.024 1.00 0.00 C ATOM 803 CD GLN A 55 -13.308 -8.441 8.231 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.349 -7.217 8.351 1.00 0.00 O ATOM 805 NE2 GLN A 55 -14.399 -9.192 8.277 1.00 0.00 N ATOM 0 H GLN A 55 -10.128 -10.400 5.433 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.515 -11.434 8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.446 -10.187 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.958 -11.035 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.554 -9.405 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.290 -8.504 7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.326 -10.204 8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.312 -8.758 8.416 1.00 0.00 H new ATOM 814 N ASN A 56 -11.620 -12.679 5.301 1.00 0.00 N ATOM 815 CA ASN A 56 -12.014 -13.909 4.621 1.00 0.00 C ATOM 816 C ASN A 56 -10.906 -14.392 3.686 1.00 0.00 C ATOM 817 O ASN A 56 -10.769 -15.589 3.432 1.00 0.00 O ATOM 818 CB ASN A 56 -13.303 -13.666 3.826 1.00 0.00 C ATOM 819 CG ASN A 56 -13.883 -14.931 3.213 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.469 -14.891 2.132 1.00 0.00 O ATOM 821 ND2 ASN A 56 -13.758 -16.051 3.907 1.00 0.00 N ATOM 0 H ASN A 56 -11.683 -11.841 4.723 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.188 -14.681 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.047 -13.216 4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.101 -12.946 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.155 -16.920 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.265 -16.045 4.800 1.00 0.00 H new ATOM 828 N GLY A 57 -10.102 -13.455 3.193 1.00 0.00 N ATOM 829 CA GLY A 57 -9.072 -13.788 2.221 1.00 0.00 C ATOM 830 C GLY A 57 -7.865 -14.494 2.826 1.00 0.00 C ATOM 831 O GLY A 57 -7.023 -15.019 2.095 1.00 0.00 O ATOM 0 H GLY A 57 -10.144 -12.469 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.505 -14.424 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.739 -12.874 1.730 1.00 0.00 H new ATOM 835 N HIS A 58 -7.786 -14.517 4.154 1.00 0.00 N ATOM 836 CA HIS A 58 -6.648 -15.115 4.853 1.00 0.00 C ATOM 837 C HIS A 58 -6.888 -15.110 6.363 1.00 0.00 C ATOM 838 O HIS A 58 -7.245 -16.129 6.947 1.00 0.00 O ATOM 839 CB HIS A 58 -5.349 -14.353 4.496 1.00 0.00 C ATOM 840 CG HIS A 58 -4.113 -14.748 5.268 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.887 -14.119 5.087 1.00 0.00 N ATOM 842 CD2 HIS A 58 -3.914 -15.675 6.243 1.00 0.00 C ATOM 843 CE1 HIS A 58 -2.002 -14.655 5.933 1.00 0.00 C ATOM 844 NE2 HIS A 58 -2.603 -15.589 6.633 1.00 0.00 N ATOM 0 H HIS A 58 -8.499 -14.127 4.771 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.539 -16.151 4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.150 -14.494 3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.523 -13.288 4.649 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.695 -13.372 4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.654 -16.355 6.638 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.965 -14.368 6.025 1.00 0.00 H new ATOM 852 N GLY A 59 -6.695 -13.956 6.973 1.00 0.00 N ATOM 853 CA GLY A 59 -6.782 -13.839 8.411 1.00 0.00 C ATOM 854 C GLY A 59 -6.025 -12.624 8.896 1.00 0.00 C ATOM 855 O GLY A 59 -5.139 -12.136 8.196 1.00 0.00 O ATOM 0 H GLY A 59 -6.476 -13.085 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.827 -13.766 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.377 -14.736 8.879 1.00 0.00 H new ATOM 859 N LEU A 60 -6.369 -12.135 10.076 1.00 0.00 N ATOM 860 CA LEU A 60 -5.796 -10.895 10.596 1.00 0.00 C ATOM 861 C LEU A 60 -4.269 -10.960 10.671 1.00 0.00 C ATOM 862 O LEU A 60 -3.687 -11.984 11.049 1.00 0.00 O ATOM 863 CB LEU A 60 -6.373 -10.568 11.983 1.00 0.00 C ATOM 864 CG LEU A 60 -5.875 -11.428 13.153 1.00 0.00 C ATOM 865 CD1 LEU A 60 -6.265 -10.789 14.472 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.431 -12.842 13.077 1.00 0.00 C ATOM 0 H LEU A 60 -7.046 -12.577 10.698 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.066 -10.101 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.150 -9.525 12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.458 -10.658 11.931 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.789 -11.488 13.087 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.907 -11.407 15.296 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.818 -9.797 14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.350 -10.703 14.528 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.059 -13.425 13.920 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.520 -12.807 13.112 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.113 -13.308 12.145 1.00 0.00 H new ATOM 878 N ILE A 61 -3.632 -9.862 10.290 1.00 0.00 N ATOM 879 CA ILE A 61 -2.180 -9.753 10.326 1.00 0.00 C ATOM 880 C ILE A 61 -1.779 -8.590 11.229 1.00 0.00 C ATOM 881 O ILE A 61 -2.436 -7.547 11.215 1.00 0.00 O ATOM 882 CB ILE A 61 -1.591 -9.516 8.911 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.099 -10.569 7.918 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.066 -9.525 8.952 1.00 0.00 C ATOM 885 CD1 ILE A 61 -1.664 -11.982 8.245 1.00 0.00 C ATOM 0 H ILE A 61 -4.104 -9.025 9.949 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.784 -10.692 10.712 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.926 -8.536 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.188 -10.532 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.746 -10.313 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.326 -9.357 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.285 -8.735 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.282 -10.490 9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.063 -12.668 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.575 -12.037 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.040 -12.260 9.230 1.00 0.00 H new ATOM 897 N SER A 62 -0.731 -8.782 12.032 1.00 0.00 N ATOM 898 CA SER A 62 -0.171 -7.697 12.834 1.00 0.00 C ATOM 899 C SER A 62 0.131 -6.504 11.929 1.00 0.00 C ATOM 900 O SER A 62 0.988 -6.583 11.048 1.00 0.00 O ATOM 901 CB SER A 62 1.100 -8.169 13.552 1.00 0.00 C ATOM 902 OG SER A 62 1.556 -7.206 14.492 1.00 0.00 O ATOM 0 H SER A 62 -0.255 -9.677 12.143 1.00 0.00 H new ATOM 0 HA SER A 62 -0.894 -7.394 13.591 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.902 -9.112 14.062 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.883 -8.362 12.819 1.00 0.00 H new ATOM 0 HG SER A 62 2.366 -7.538 14.933 1.00 0.00 H new ATOM 908 N LYS A 63 -0.578 -5.403 12.154 1.00 0.00 N ATOM 909 CA LYS A 63 -0.600 -4.291 11.208 1.00 0.00 C ATOM 910 C LYS A 63 0.764 -3.620 11.055 1.00 0.00 C ATOM 911 O LYS A 63 1.040 -2.999 10.031 1.00 0.00 O ATOM 912 CB LYS A 63 -1.664 -3.269 11.619 1.00 0.00 C ATOM 913 CG LYS A 63 -1.966 -2.253 10.532 1.00 0.00 C ATOM 914 CD LYS A 63 -3.333 -1.622 10.719 1.00 0.00 C ATOM 915 CE LYS A 63 -3.755 -0.859 9.476 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.190 -0.489 9.507 1.00 0.00 N ATOM 0 H LYS A 63 -1.148 -5.256 12.987 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.855 -4.704 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.582 -3.795 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.329 -2.745 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.202 -1.475 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.919 -2.738 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.067 -2.396 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.312 -0.947 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.151 0.043 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.557 -1.467 8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.551 -0.418 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.725 -1.217 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.302 0.427 9.986 1.00 0.00 H new ATOM 930 N LYS A 64 1.625 -3.761 12.054 1.00 0.00 N ATOM 931 CA LYS A 64 2.963 -3.179 11.978 1.00 0.00 C ATOM 932 C LYS A 64 3.850 -4.001 11.046 1.00 0.00 C ATOM 933 O LYS A 64 4.885 -3.528 10.579 1.00 0.00 O ATOM 934 CB LYS A 64 3.611 -3.105 13.362 1.00 0.00 C ATOM 935 CG LYS A 64 2.807 -2.323 14.387 1.00 0.00 C ATOM 936 CD LYS A 64 3.601 -2.141 15.671 1.00 0.00 C ATOM 937 CE LYS A 64 2.747 -1.583 16.796 1.00 0.00 C ATOM 938 NZ LYS A 64 1.690 -2.539 17.220 1.00 0.00 N ATOM 0 H LYS A 64 1.427 -4.266 12.918 1.00 0.00 H new ATOM 0 HA LYS A 64 2.862 -2.168 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.764 -4.118 13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.596 -2.649 13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.539 -1.349 13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.875 -2.846 14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.021 -3.100 15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.440 -1.470 15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.382 -1.343 17.649 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.284 -0.651 16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.324 -2.260 18.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.915 -2.530 16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.091 -3.497 17.278 1.00 0.00 H new ATOM 952 N ARG A 65 3.424 -5.227 10.771 1.00 0.00 N ATOM 953 CA ARG A 65 4.207 -6.150 9.964 1.00 0.00 C ATOM 954 C ARG A 65 3.580 -6.310 8.577 1.00 0.00 C ATOM 955 O ARG A 65 4.090 -7.037 7.725 1.00 0.00 O ATOM 956 CB ARG A 65 4.298 -7.502 10.684 1.00 0.00 C ATOM 957 CG ARG A 65 5.281 -8.478 10.059 1.00 0.00 C ATOM 958 CD ARG A 65 5.451 -9.719 10.919 1.00 0.00 C ATOM 959 NE ARG A 65 6.400 -10.666 10.338 1.00 0.00 N ATOM 960 CZ ARG A 65 7.626 -10.875 10.812 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.049 -10.204 11.876 1.00 0.00 N ATOM 962 NH2 ARG A 65 8.428 -11.752 10.222 1.00 0.00 N ATOM 0 H ARG A 65 2.535 -5.606 11.098 1.00 0.00 H new ATOM 0 HA ARG A 65 5.213 -5.752 9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.585 -7.329 11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.309 -7.960 10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.930 -8.765 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.247 -7.990 9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.793 -9.427 11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.484 -10.207 11.045 1.00 0.00 H new ATOM 0 HE ARG A 65 6.105 -11.199 9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.435 -9.528 12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.989 -10.364 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.105 -12.268 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.367 -11.910 10.587 1.00 0.00 H new ATOM 976 N VAL A 66 2.473 -5.611 8.355 1.00 0.00 N ATOM 977 CA VAL A 66 1.792 -5.648 7.067 1.00 0.00 C ATOM 978 C VAL A 66 2.525 -4.754 6.073 1.00 0.00 C ATOM 979 O VAL A 66 2.981 -3.666 6.428 1.00 0.00 O ATOM 980 CB VAL A 66 0.317 -5.194 7.179 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.382 -5.267 5.830 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.427 -6.033 8.199 1.00 0.00 C ATOM 0 H VAL A 66 2.028 -5.012 9.050 1.00 0.00 H new ATOM 0 HA VAL A 66 1.798 -6.681 6.720 1.00 0.00 H new ATOM 0 HB VAL A 66 0.314 -4.156 7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.417 -4.942 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.130 -4.618 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.360 -6.293 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.462 -5.697 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.403 -7.080 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.049 -5.927 9.174 1.00 0.00 H new ATOM 992 N ASN A 67 2.640 -5.212 4.834 1.00 0.00 N ATOM 993 CA ASN A 67 3.377 -4.467 3.824 1.00 0.00 C ATOM 994 C ASN A 67 2.553 -3.320 3.262 1.00 0.00 C ATOM 995 O ASN A 67 1.846 -3.479 2.268 1.00 0.00 O ATOM 996 CB ASN A 67 3.836 -5.380 2.680 1.00 0.00 C ATOM 997 CG ASN A 67 5.069 -6.181 3.036 1.00 0.00 C ATOM 998 OD1 ASN A 67 4.980 -7.293 3.550 1.00 0.00 O ATOM 999 ND2 ASN A 67 6.236 -5.618 2.757 1.00 0.00 N ATOM 0 H ASN A 67 2.236 -6.089 4.506 1.00 0.00 H new ATOM 0 HA ASN A 67 4.256 -4.054 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.027 -6.062 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.042 -4.775 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.104 -6.110 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.266 -4.692 2.330 1.00 0.00 H new ATOM 1006 N PHE A 68 2.617 -2.175 3.924 1.00 0.00 N ATOM 1007 CA PHE A 68 2.053 -0.958 3.367 1.00 0.00 C ATOM 1008 C PHE A 68 2.990 -0.423 2.304 1.00 0.00 C ATOM 1009 O PHE A 68 3.983 0.237 2.603 1.00 0.00 O ATOM 1010 CB PHE A 68 1.827 0.094 4.454 1.00 0.00 C ATOM 1011 CG PHE A 68 0.596 -0.145 5.276 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.613 -1.032 6.338 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -0.581 0.520 4.978 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.521 -1.248 7.094 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -1.719 0.310 5.729 1.00 0.00 C ATOM 1016 CZ PHE A 68 -1.690 -0.578 6.787 1.00 0.00 C ATOM 0 H PHE A 68 3.051 -2.064 4.841 1.00 0.00 H new ATOM 0 HA PHE A 68 1.084 -1.187 2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.695 0.115 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.757 1.077 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.524 -1.561 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.609 1.211 4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.495 -1.939 7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.630 0.838 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.580 -0.748 7.374 1.00 0.00 H new ATOM 1026 N VAL A 69 2.683 -0.741 1.061 1.00 0.00 N ATOM 1027 CA VAL A 69 3.542 -0.365 -0.043 1.00 0.00 C ATOM 1028 C VAL A 69 2.811 0.541 -1.015 1.00 0.00 C ATOM 1029 O VAL A 69 1.576 0.562 -1.060 1.00 0.00 O ATOM 1030 CB VAL A 69 4.078 -1.602 -0.800 1.00 0.00 C ATOM 1031 CG1 VAL A 69 4.989 -2.430 0.096 1.00 0.00 C ATOM 1032 CG2 VAL A 69 2.931 -2.457 -1.329 1.00 0.00 C ATOM 0 H VAL A 69 1.846 -1.258 0.792 1.00 0.00 H new ATOM 0 HA VAL A 69 4.388 0.172 0.385 1.00 0.00 H new ATOM 0 HB VAL A 69 4.660 -1.248 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.355 -3.295 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.834 -1.821 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.431 -2.767 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.335 -3.321 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.316 -2.796 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.322 -1.866 -2.013 1.00 0.00 H new ATOM 1042 N ILE A 70 3.576 1.293 -1.787 1.00 0.00 N ATOM 1043 CA ILE A 70 3.017 2.152 -2.811 1.00 0.00 C ATOM 1044 C ILE A 70 2.703 1.334 -4.062 1.00 0.00 C ATOM 1045 O ILE A 70 3.378 1.443 -5.086 1.00 0.00 O ATOM 1046 CB ILE A 70 3.966 3.328 -3.141 1.00 0.00 C ATOM 1047 CG1 ILE A 70 5.384 2.827 -3.446 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.992 4.308 -1.977 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.340 3.927 -3.857 1.00 0.00 C ATOM 0 H ILE A 70 4.593 1.324 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 70 2.090 2.582 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 70 3.592 3.834 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.780 2.324 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.334 2.084 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.661 5.135 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.987 4.693 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.346 3.799 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.322 3.499 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.967 4.416 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.420 4.659 -3.053 1.00 0.00 H new ATOM 1061 N SER A 71 1.675 0.492 -3.933 1.00 0.00 N ATOM 1062 CA SER A 71 1.265 -0.466 -4.965 1.00 0.00 C ATOM 1063 C SER A 71 2.432 -1.368 -5.397 1.00 0.00 C ATOM 1064 O SER A 71 3.466 -1.439 -4.725 1.00 0.00 O ATOM 1065 CB SER A 71 0.610 0.244 -6.171 1.00 0.00 C ATOM 1066 OG SER A 71 1.420 1.273 -6.711 1.00 0.00 O ATOM 0 H SER A 71 1.094 0.455 -3.095 1.00 0.00 H new ATOM 0 HA SER A 71 0.507 -1.114 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.399 -0.491 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.347 0.666 -5.862 1.00 0.00 H new ATOM 0 HG SER A 71 2.346 1.151 -6.413 1.00 0.00 H new