USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 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 145:sc= -0.912 USER MOD Set 1.2: A 37 CYS SG : rot 160:sc= -2.29 USER MOD Set 1.3: A 54 CYS SG : rot 152:sc= -2.45! USER MOD Set 1.4: A 58 HIS : no HD1:sc= 1.54 K(o=-4.1,f=-17!) USER MOD Set 2.1: A 31 GLN : amide:sc=-0.00578 K(o=-0.0058,f=-0.71) USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 THR OG1 : rot 90:sc= 2.3 USER MOD Set 3.2: A 29 SER OG : rot -61:sc= 1.18 USER MOD Set 4.1: A 5 CYS SG : rot 139:sc= 0.493 USER MOD Set 4.2: A 8 CYS SG : rot 178:sc= 0.877 USER MOD Set 4.3: A 21 CYS SG : rot -25:sc= -1.69 USER MOD Set 4.4: A 23 THR OG1 : rot -92:sc= 1.52 USER MOD Set 4.5: A 24 CYS SG : rot 101:sc= 0.446 USER MOD Set 5.1: A 4 THR OG1 : rot 165:sc= 0.465 USER MOD Set 5.2: A 9 HIS : no HD1:sc= 0.366 K(o=0.83,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.702 K(o=-0.7,f=0.13) USER MOD Single : A 15 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.66) USER MOD Single : A 20 HIS : no HE2:sc= 0.993 K(o=0.99,f=-6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.966 K(o=-0.97,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0421 K(o=-0.042,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= 0.756 (180deg=-0.135) 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= -1.09 K(o=-1.1,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.573 (180deg=0.538) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.0683 (180deg=-0.358) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.175 4.479 5.445 1.00 0.00 N ATOM 21 CA GLU A 2 12.466 5.708 5.066 1.00 0.00 C ATOM 22 C GLU A 2 11.567 5.496 3.846 1.00 0.00 C ATOM 23 O GLU A 2 11.382 4.374 3.374 1.00 0.00 O ATOM 24 CB GLU A 2 13.443 6.861 4.786 1.00 0.00 C ATOM 25 CG GLU A 2 14.047 7.496 6.033 1.00 0.00 C ATOM 26 CD GLU A 2 15.026 6.594 6.750 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.199 6.532 6.328 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.633 5.953 7.746 1.00 0.00 O ATOM 0 HA GLU A 2 11.839 5.974 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.251 6.490 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.922 7.631 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.553 8.420 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.245 7.768 6.719 1.00 0.00 H new ATOM 35 N ILE A 3 10.990 6.591 3.362 1.00 0.00 N ATOM 36 CA ILE A 3 10.163 6.570 2.166 1.00 0.00 C ATOM 37 C ILE A 3 10.597 7.696 1.236 1.00 0.00 C ATOM 38 O ILE A 3 10.470 8.875 1.575 1.00 0.00 O ATOM 39 CB ILE A 3 8.657 6.735 2.490 1.00 0.00 C ATOM 40 CG1 ILE A 3 8.197 5.655 3.475 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.829 6.672 1.209 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.748 5.785 3.890 1.00 0.00 C ATOM 0 H ILE A 3 11.083 7.513 3.787 1.00 0.00 H new ATOM 0 HA ILE A 3 10.297 5.598 1.690 1.00 0.00 H new ATOM 0 HB ILE A 3 8.509 7.710 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.349 4.675 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.825 5.696 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.773 6.789 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.138 7.472 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.984 5.709 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.496 4.986 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.593 6.750 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.109 5.713 3.010 1.00 0.00 H new ATOM 54 N THR A 4 11.134 7.336 0.081 1.00 0.00 N ATOM 55 CA THR A 4 11.610 8.323 -0.874 1.00 0.00 C ATOM 56 C THR A 4 11.224 7.936 -2.293 1.00 0.00 C ATOM 57 O THR A 4 11.024 6.757 -2.588 1.00 0.00 O ATOM 58 CB THR A 4 13.142 8.493 -0.800 1.00 0.00 C ATOM 59 OG1 THR A 4 13.783 7.215 -0.885 1.00 0.00 O ATOM 60 CG2 THR A 4 13.557 9.194 0.486 1.00 0.00 C ATOM 0 H THR A 4 11.251 6.368 -0.217 1.00 0.00 H new ATOM 0 HA THR A 4 11.137 9.269 -0.612 1.00 0.00 H new ATOM 0 HB THR A 4 13.453 9.112 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.736 7.339 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.642 9.299 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.096 10.181 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.231 8.605 1.343 1.00 0.00 H new ATOM 68 N CYS A 5 11.122 8.937 -3.157 1.00 0.00 N ATOM 69 CA CYS A 5 10.832 8.719 -4.564 1.00 0.00 C ATOM 70 C CYS A 5 11.990 7.976 -5.221 1.00 0.00 C ATOM 71 O CYS A 5 13.156 8.286 -4.961 1.00 0.00 O ATOM 72 CB CYS A 5 10.595 10.068 -5.264 1.00 0.00 C ATOM 73 SG CYS A 5 10.374 9.971 -7.059 1.00 0.00 S ATOM 0 H CYS A 5 11.238 9.918 -2.902 1.00 0.00 H new ATOM 0 HA CYS A 5 9.930 8.114 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.712 10.536 -4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.440 10.724 -5.052 1.00 0.00 H new ATOM 0 HG CYS A 5 9.418 10.774 -7.423 1.00 0.00 H new ATOM 78 N PRO A 6 11.688 6.979 -6.069 1.00 0.00 N ATOM 79 CA PRO A 6 12.707 6.221 -6.807 1.00 0.00 C ATOM 80 C PRO A 6 13.445 7.089 -7.827 1.00 0.00 C ATOM 81 O PRO A 6 14.383 6.638 -8.483 1.00 0.00 O ATOM 82 CB PRO A 6 11.905 5.120 -7.518 1.00 0.00 C ATOM 83 CG PRO A 6 10.585 5.088 -6.826 1.00 0.00 C ATOM 84 CD PRO A 6 10.332 6.491 -6.360 1.00 0.00 C ATOM 0 HA PRO A 6 13.481 5.833 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.788 5.341 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.410 4.157 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.798 4.753 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.601 4.394 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.841 7.091 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.693 6.516 -5.477 1.00 0.00 H new ATOM 92 N VAL A 7 13.014 8.337 -7.947 1.00 0.00 N ATOM 93 CA VAL A 7 13.635 9.281 -8.853 1.00 0.00 C ATOM 94 C VAL A 7 14.371 10.340 -8.050 1.00 0.00 C ATOM 95 O VAL A 7 15.592 10.474 -8.146 1.00 0.00 O ATOM 96 CB VAL A 7 12.599 9.967 -9.772 1.00 0.00 C ATOM 97 CG1 VAL A 7 13.286 10.879 -10.778 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.741 8.934 -10.484 1.00 0.00 C ATOM 0 H VAL A 7 12.228 8.718 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 7 14.330 8.728 -9.485 1.00 0.00 H new ATOM 0 HB VAL A 7 11.948 10.579 -9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.536 11.350 -11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.847 11.648 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.967 10.293 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.019 9.440 -11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.376 8.289 -11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.211 8.331 -9.747 1.00 0.00 H new ATOM 108 N CYS A 8 13.624 11.074 -7.239 1.00 0.00 N ATOM 109 CA CYS A 8 14.202 12.116 -6.411 1.00 0.00 C ATOM 110 C CYS A 8 14.238 11.689 -4.945 1.00 0.00 C ATOM 111 O CYS A 8 13.252 11.813 -4.214 1.00 0.00 O ATOM 112 CB CYS A 8 13.420 13.421 -6.578 1.00 0.00 C ATOM 113 SG CYS A 8 11.649 13.280 -6.233 1.00 0.00 S ATOM 0 H CYS A 8 12.615 10.965 -7.138 1.00 0.00 H new ATOM 0 HA CYS A 8 15.229 12.284 -6.736 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.848 14.174 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.552 13.781 -7.598 1.00 0.00 H new ATOM 0 HG CYS A 8 11.087 14.444 -6.367 1.00 0.00 H new ATOM 118 N HIS A 9 15.375 11.154 -4.530 1.00 0.00 N ATOM 119 CA HIS A 9 15.574 10.763 -3.139 1.00 0.00 C ATOM 120 C HIS A 9 15.671 12.001 -2.244 1.00 0.00 C ATOM 121 O HIS A 9 16.757 12.516 -1.990 1.00 0.00 O ATOM 122 CB HIS A 9 16.838 9.893 -2.997 1.00 0.00 C ATOM 123 CG HIS A 9 17.062 9.327 -1.618 1.00 0.00 C ATOM 124 ND1 HIS A 9 16.800 8.012 -1.286 1.00 0.00 N ATOM 125 CD2 HIS A 9 17.542 9.903 -0.486 1.00 0.00 C ATOM 126 CE1 HIS A 9 17.105 7.810 -0.017 1.00 0.00 C ATOM 127 NE2 HIS A 9 17.557 8.940 0.490 1.00 0.00 N ATOM 0 H HIS A 9 16.177 10.979 -5.136 1.00 0.00 H new ATOM 0 HA HIS A 9 14.714 10.174 -2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.777 9.069 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.706 10.490 -3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.855 10.931 -0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.002 6.876 0.516 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.867 9.076 1.452 1.00 0.00 H new ATOM 136 N HIS A 10 14.522 12.511 -1.825 1.00 0.00 N ATOM 137 CA HIS A 10 14.474 13.587 -0.843 1.00 0.00 C ATOM 138 C HIS A 10 13.769 13.093 0.414 1.00 0.00 C ATOM 139 O HIS A 10 14.413 12.648 1.366 1.00 0.00 O ATOM 140 CB HIS A 10 13.745 14.827 -1.389 1.00 0.00 C ATOM 141 CG HIS A 10 14.429 15.531 -2.530 1.00 0.00 C ATOM 142 ND1 HIS A 10 15.779 15.438 -2.801 1.00 0.00 N ATOM 143 CD2 HIS A 10 13.921 16.358 -3.473 1.00 0.00 C ATOM 144 CE1 HIS A 10 16.063 16.177 -3.860 1.00 0.00 C ATOM 145 NE2 HIS A 10 14.954 16.745 -4.285 1.00 0.00 N ATOM 0 H HIS A 10 13.608 12.197 -2.150 1.00 0.00 H new ATOM 0 HA HIS A 10 15.499 13.878 -0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.749 14.527 -1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.613 15.538 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.888 16.659 -3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.041 16.295 -4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.877 17.370 -5.087 1.00 0.00 H new ATOM 154 N ALA A 11 12.440 13.151 0.386 1.00 0.00 N ATOM 155 CA ALA A 11 11.605 12.683 1.485 1.00 0.00 C ATOM 156 C ALA A 11 10.138 12.705 1.070 1.00 0.00 C ATOM 157 O ALA A 11 9.632 13.732 0.622 1.00 0.00 O ATOM 158 CB ALA A 11 11.810 13.545 2.723 1.00 0.00 C ATOM 0 H ALA A 11 11.912 13.525 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 11 11.894 11.660 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.177 13.178 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.855 13.498 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.545 14.578 2.495 1.00 0.00 H new ATOM 164 N LEU A 12 9.473 11.566 1.189 1.00 0.00 N ATOM 165 CA LEU A 12 8.052 11.472 0.877 1.00 0.00 C ATOM 166 C LEU A 12 7.237 11.468 2.161 1.00 0.00 C ATOM 167 O LEU A 12 7.530 10.710 3.088 1.00 0.00 O ATOM 168 CB LEU A 12 7.757 10.206 0.065 1.00 0.00 C ATOM 169 CG LEU A 12 7.803 10.359 -1.460 1.00 0.00 C ATOM 170 CD1 LEU A 12 9.086 11.036 -1.911 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.663 8.998 -2.122 1.00 0.00 C ATOM 0 H LEU A 12 9.894 10.691 1.500 1.00 0.00 H new ATOM 0 HA LEU A 12 7.773 12.339 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.473 9.437 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.768 9.842 0.344 1.00 0.00 H new ATOM 0 HG LEU A 12 6.970 10.993 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.086 11.129 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.152 12.027 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.942 10.439 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.697 9.115 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.480 8.352 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.712 8.550 -1.835 1.00 0.00 H new ATOM 183 N GLU A 13 6.219 12.312 2.216 1.00 0.00 N ATOM 184 CA GLU A 13 5.412 12.438 3.417 1.00 0.00 C ATOM 185 C GLU A 13 4.170 11.559 3.323 1.00 0.00 C ATOM 186 O GLU A 13 3.485 11.534 2.299 1.00 0.00 O ATOM 187 CB GLU A 13 5.022 13.899 3.649 1.00 0.00 C ATOM 188 CG GLU A 13 4.328 14.139 4.978 1.00 0.00 C ATOM 189 CD GLU A 13 4.102 15.608 5.258 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.074 16.155 4.811 1.00 0.00 O ATOM 191 OE2 GLU A 13 4.953 16.227 5.934 1.00 0.00 O ATOM 0 H GLU A 13 5.934 12.917 1.446 1.00 0.00 H new ATOM 0 HA GLU A 13 6.005 12.101 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.918 14.518 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.365 14.224 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.369 13.620 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.927 13.708 5.780 1.00 0.00 H new ATOM 198 N ARG A 14 3.892 10.837 4.398 1.00 0.00 N ATOM 199 CA ARG A 14 2.770 9.915 4.437 1.00 0.00 C ATOM 200 C ARG A 14 1.580 10.561 5.144 1.00 0.00 C ATOM 201 O ARG A 14 1.722 11.072 6.254 1.00 0.00 O ATOM 202 CB ARG A 14 3.184 8.638 5.176 1.00 0.00 C ATOM 203 CG ARG A 14 2.220 7.479 5.000 1.00 0.00 C ATOM 204 CD ARG A 14 2.319 6.880 3.608 1.00 0.00 C ATOM 205 NE ARG A 14 1.322 5.832 3.377 1.00 0.00 N ATOM 206 CZ ARG A 14 1.429 4.577 3.825 1.00 0.00 C ATOM 207 NH1 ARG A 14 2.442 4.225 4.615 1.00 0.00 N ATOM 208 NH2 ARG A 14 0.505 3.678 3.499 1.00 0.00 N ATOM 0 H ARG A 14 4.434 10.874 5.261 1.00 0.00 H new ATOM 0 HA ARG A 14 2.477 9.666 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.170 8.332 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.277 8.860 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.433 6.711 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.201 7.822 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.191 7.669 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.317 6.466 3.464 1.00 0.00 H new ATOM 0 HE ARG A 14 0.491 6.076 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.144 4.915 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.516 3.265 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.282 3.947 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.584 2.720 3.839 1.00 0.00 H new ATOM 222 N ASN A 15 0.414 10.543 4.507 1.00 0.00 N ATOM 223 CA ASN A 15 -0.796 11.098 5.117 1.00 0.00 C ATOM 224 C ASN A 15 -1.732 9.962 5.515 1.00 0.00 C ATOM 225 O ASN A 15 -2.805 10.171 6.076 1.00 0.00 O ATOM 226 CB ASN A 15 -1.500 12.040 4.128 1.00 0.00 C ATOM 227 CG ASN A 15 -2.723 12.731 4.718 1.00 0.00 C ATOM 228 OD1 ASN A 15 -2.770 13.046 5.909 1.00 0.00 O ATOM 229 ND2 ASN A 15 -3.728 12.963 3.887 1.00 0.00 N ATOM 0 H ASN A 15 0.278 10.153 3.574 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.523 11.666 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.791 12.797 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.802 11.472 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.576 13.416 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.654 12.688 2.907 1.00 0.00 H new ATOM 236 N GLY A 16 -1.290 8.751 5.244 1.00 0.00 N ATOM 237 CA GLY A 16 -2.149 7.602 5.391 1.00 0.00 C ATOM 238 C GLY A 16 -2.712 7.218 4.048 1.00 0.00 C ATOM 239 O GLY A 16 -3.120 8.099 3.290 1.00 0.00 O ATOM 0 H GLY A 16 -0.345 8.541 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.589 6.768 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.959 7.827 6.085 1.00 0.00 H new ATOM 243 N ASP A 17 -2.705 5.922 3.738 1.00 0.00 N ATOM 244 CA ASP A 17 -3.109 5.428 2.414 1.00 0.00 C ATOM 245 C ASP A 17 -2.090 5.832 1.341 1.00 0.00 C ATOM 246 O ASP A 17 -1.456 4.976 0.727 1.00 0.00 O ATOM 247 CB ASP A 17 -4.521 5.923 2.050 1.00 0.00 C ATOM 248 CG ASP A 17 -4.851 5.783 0.574 1.00 0.00 C ATOM 249 OD1 ASP A 17 -5.152 4.661 0.122 1.00 0.00 O ATOM 250 OD2 ASP A 17 -4.823 6.813 -0.138 1.00 0.00 O ATOM 0 H ASP A 17 -2.423 5.188 4.388 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.135 4.339 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.254 5.365 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.616 6.970 2.337 1.00 0.00 H new ATOM 255 N THR A 18 -1.883 7.129 1.164 1.00 0.00 N ATOM 256 CA THR A 18 -1.025 7.630 0.105 1.00 0.00 C ATOM 257 C THR A 18 0.134 8.454 0.672 1.00 0.00 C ATOM 258 O THR A 18 -0.004 9.122 1.702 1.00 0.00 O ATOM 259 CB THR A 18 -1.849 8.482 -0.891 1.00 0.00 C ATOM 260 OG1 THR A 18 -2.826 7.658 -1.540 1.00 0.00 O ATOM 261 CG2 THR A 18 -0.967 9.142 -1.943 1.00 0.00 C ATOM 0 H THR A 18 -2.301 7.856 1.745 1.00 0.00 H new ATOM 0 HA THR A 18 -0.603 6.773 -0.421 1.00 0.00 H new ATOM 0 HB THR A 18 -2.339 9.271 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.654 7.657 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.586 9.730 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.244 9.795 -1.454 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.438 8.374 -2.508 1.00 0.00 H new ATOM 269 N ALA A 19 1.285 8.355 0.019 1.00 0.00 N ATOM 270 CA ALA A 19 2.436 9.180 0.340 1.00 0.00 C ATOM 271 C ALA A 19 2.687 10.156 -0.802 1.00 0.00 C ATOM 272 O ALA A 19 2.674 9.764 -1.969 1.00 0.00 O ATOM 273 CB ALA A 19 3.663 8.314 0.580 1.00 0.00 C ATOM 0 H ALA A 19 1.444 7.700 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 19 2.235 9.739 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.516 8.949 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.472 7.635 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.882 7.736 -0.318 1.00 0.00 H new ATOM 279 N HIS A 20 2.902 11.418 -0.476 1.00 0.00 N ATOM 280 CA HIS A 20 3.037 12.440 -1.501 1.00 0.00 C ATOM 281 C HIS A 20 4.496 12.658 -1.868 1.00 0.00 C ATOM 282 O HIS A 20 5.354 12.818 -0.999 1.00 0.00 O ATOM 283 CB HIS A 20 2.408 13.756 -1.037 1.00 0.00 C ATOM 284 CG HIS A 20 2.338 14.798 -2.112 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.355 14.816 -3.077 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.132 15.864 -2.369 1.00 0.00 C ATOM 287 CE1 HIS A 20 1.545 15.844 -3.879 1.00 0.00 C ATOM 288 NE2 HIS A 20 2.616 16.497 -3.473 1.00 0.00 N ATOM 0 H HIS A 20 2.986 11.759 0.482 1.00 0.00 H new ATOM 0 HA HIS A 20 2.509 12.092 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.402 13.558 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.983 14.149 -0.199 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.597 14.138 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.007 16.161 -1.810 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.928 16.107 -4.725 1.00 0.00 H new ATOM 297 N CYS A 21 4.761 12.651 -3.163 1.00 0.00 N ATOM 298 CA CYS A 21 6.080 12.941 -3.684 1.00 0.00 C ATOM 299 C CYS A 21 6.204 14.439 -3.939 1.00 0.00 C ATOM 300 O CYS A 21 5.448 15.004 -4.731 1.00 0.00 O ATOM 301 CB CYS A 21 6.309 12.147 -4.973 1.00 0.00 C ATOM 302 SG CYS A 21 7.962 12.301 -5.686 1.00 0.00 S ATOM 0 H CYS A 21 4.066 12.444 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 21 6.839 12.647 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.114 11.094 -4.772 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.579 12.470 -5.715 1.00 0.00 H new ATOM 0 HG CYS A 21 8.497 13.423 -5.304 1.00 0.00 H new ATOM 307 N GLU A 22 7.138 15.065 -3.227 1.00 0.00 N ATOM 308 CA GLU A 22 7.416 16.502 -3.326 1.00 0.00 C ATOM 309 C GLU A 22 7.630 16.954 -4.782 1.00 0.00 C ATOM 310 O GLU A 22 6.671 17.249 -5.499 1.00 0.00 O ATOM 311 CB GLU A 22 8.643 16.839 -2.458 1.00 0.00 C ATOM 312 CG GLU A 22 9.605 15.661 -2.241 1.00 0.00 C ATOM 313 CD GLU A 22 10.156 15.070 -3.531 1.00 0.00 C ATOM 314 OE1 GLU A 22 11.122 15.589 -4.080 1.00 0.00 O ATOM 315 OE2 GLU A 22 9.609 14.101 -4.051 1.00 0.00 O ATOM 0 H GLU A 22 7.734 14.584 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 22 6.546 17.047 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.190 17.658 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.300 17.197 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.437 15.994 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.087 14.879 -1.687 1.00 0.00 H new ATOM 322 N THR A 23 8.886 17.038 -5.210 1.00 0.00 N ATOM 323 CA THR A 23 9.191 17.199 -6.619 1.00 0.00 C ATOM 324 C THR A 23 8.680 15.974 -7.347 1.00 0.00 C ATOM 325 O THR A 23 8.813 14.880 -6.794 1.00 0.00 O ATOM 326 CB THR A 23 10.705 17.298 -6.852 1.00 0.00 C ATOM 327 OG1 THR A 23 11.315 16.037 -6.530 1.00 0.00 O ATOM 328 CG2 THR A 23 11.326 18.394 -6.000 1.00 0.00 C ATOM 0 H THR A 23 9.703 16.997 -4.601 1.00 0.00 H new ATOM 0 HA THR A 23 8.722 18.114 -6.981 1.00 0.00 H new ATOM 0 HB THR A 23 10.877 17.545 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.596 16.040 -5.591 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.399 18.438 -6.189 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.873 19.353 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.152 18.178 -4.946 1.00 0.00 H new ATOM 336 N CYS A 24 8.155 16.175 -8.562 1.00 0.00 N ATOM 337 CA CYS A 24 7.485 15.141 -9.380 1.00 0.00 C ATOM 338 C CYS A 24 5.971 15.315 -9.306 1.00 0.00 C ATOM 339 O CYS A 24 5.262 15.007 -10.267 1.00 0.00 O ATOM 340 CB CYS A 24 7.859 13.690 -9.004 1.00 0.00 C ATOM 341 SG CYS A 24 9.610 13.270 -9.206 1.00 0.00 S ATOM 0 H CYS A 24 8.182 17.085 -9.021 1.00 0.00 H new ATOM 0 HA CYS A 24 7.843 15.293 -10.398 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.577 13.516 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.265 13.009 -9.614 1.00 0.00 H new ATOM 0 HG CYS A 24 10.200 13.300 -8.048 1.00 0.00 H new ATOM 346 N ALA A 25 5.487 15.824 -8.165 1.00 0.00 N ATOM 347 CA ALA A 25 4.056 16.066 -7.956 1.00 0.00 C ATOM 348 C ALA A 25 3.254 14.770 -8.081 1.00 0.00 C ATOM 349 O ALA A 25 2.091 14.773 -8.489 1.00 0.00 O ATOM 350 CB ALA A 25 3.549 17.119 -8.937 1.00 0.00 C ATOM 0 H ALA A 25 6.072 16.077 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 25 3.917 16.443 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.485 17.289 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.094 18.051 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.706 16.771 -9.958 1.00 0.00 H new ATOM 356 N LYS A 26 3.882 13.670 -7.700 1.00 0.00 N ATOM 357 CA LYS A 26 3.273 12.353 -7.805 1.00 0.00 C ATOM 358 C LYS A 26 2.755 11.898 -6.445 1.00 0.00 C ATOM 359 O LYS A 26 3.357 12.186 -5.415 1.00 0.00 O ATOM 360 CB LYS A 26 4.306 11.356 -8.351 1.00 0.00 C ATOM 361 CG LYS A 26 3.890 9.891 -8.279 1.00 0.00 C ATOM 362 CD LYS A 26 2.757 9.557 -9.238 1.00 0.00 C ATOM 363 CE LYS A 26 2.435 8.071 -9.200 1.00 0.00 C ATOM 364 NZ LYS A 26 1.380 7.695 -10.179 1.00 0.00 N ATOM 0 H LYS A 26 4.825 13.664 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 26 2.427 12.401 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.517 11.607 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.237 11.481 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.750 9.261 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.581 9.654 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.870 10.132 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.035 9.847 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.340 7.500 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.110 7.798 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.196 6.673 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.507 8.218 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.699 7.930 -11.141 1.00 0.00 H new ATOM 378 N ASP A 27 1.625 11.215 -6.440 1.00 0.00 N ATOM 379 CA ASP A 27 1.103 10.628 -5.218 1.00 0.00 C ATOM 380 C ASP A 27 1.194 9.115 -5.298 1.00 0.00 C ATOM 381 O ASP A 27 0.711 8.503 -6.252 1.00 0.00 O ATOM 382 CB ASP A 27 -0.345 11.055 -4.970 1.00 0.00 C ATOM 383 CG ASP A 27 -0.467 12.523 -4.614 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.308 12.867 -3.425 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.716 13.340 -5.525 1.00 0.00 O ATOM 0 H ASP A 27 1.051 11.053 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 27 1.705 10.986 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.938 10.851 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.764 10.453 -4.164 1.00 0.00 H new ATOM 390 N PHE A 28 1.840 8.518 -4.315 1.00 0.00 N ATOM 391 CA PHE A 28 2.005 7.074 -4.278 1.00 0.00 C ATOM 392 C PHE A 28 1.027 6.457 -3.292 1.00 0.00 C ATOM 393 O PHE A 28 1.196 6.588 -2.081 1.00 0.00 O ATOM 394 CB PHE A 28 3.432 6.702 -3.872 1.00 0.00 C ATOM 395 CG PHE A 28 4.496 7.185 -4.817 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.779 6.487 -5.981 1.00 0.00 C ATOM 397 CD2 PHE A 28 5.226 8.326 -4.533 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.772 6.918 -6.840 1.00 0.00 C ATOM 399 CE2 PHE A 28 6.216 8.763 -5.390 1.00 0.00 C ATOM 400 CZ PHE A 28 6.490 8.059 -6.543 1.00 0.00 C ATOM 0 H PHE A 28 2.261 9.011 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 28 1.807 6.687 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.632 7.110 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.502 5.617 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.217 5.596 -6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.019 8.881 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.986 6.363 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.776 9.657 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.265 8.400 -7.213 1.00 0.00 H new ATOM 410 N SER A 29 -0.006 5.813 -3.803 1.00 0.00 N ATOM 411 CA SER A 29 -0.956 5.124 -2.949 1.00 0.00 C ATOM 412 C SER A 29 -0.434 3.736 -2.595 1.00 0.00 C ATOM 413 O SER A 29 -0.082 2.947 -3.476 1.00 0.00 O ATOM 414 CB SER A 29 -2.312 5.033 -3.644 1.00 0.00 C ATOM 415 OG SER A 29 -2.800 6.328 -3.963 1.00 0.00 O ATOM 0 H SER A 29 -0.208 5.752 -4.801 1.00 0.00 H new ATOM 0 HA SER A 29 -1.080 5.688 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.221 4.439 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.024 4.520 -2.998 1.00 0.00 H new ATOM 0 HG SER A 29 -2.918 6.845 -3.139 1.00 0.00 H new ATOM 421 N LEU A 30 -0.365 3.449 -1.306 1.00 0.00 N ATOM 422 CA LEU A 30 0.144 2.174 -0.841 1.00 0.00 C ATOM 423 C LEU A 30 -1.004 1.289 -0.391 1.00 0.00 C ATOM 424 O LEU A 30 -1.925 1.749 0.283 1.00 0.00 O ATOM 425 CB LEU A 30 1.137 2.354 0.317 1.00 0.00 C ATOM 426 CG LEU A 30 2.375 3.205 0.010 1.00 0.00 C ATOM 427 CD1 LEU A 30 2.084 4.685 0.194 1.00 0.00 C ATOM 428 CD2 LEU A 30 3.541 2.777 0.889 1.00 0.00 C ATOM 0 H LEU A 30 -0.656 4.084 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 30 0.669 1.703 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.609 2.805 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.469 1.368 0.642 1.00 0.00 H new ATOM 0 HG LEU A 30 2.645 3.045 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.980 5.263 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.281 4.984 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.782 4.871 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.413 3.390 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.272 2.905 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.774 1.729 0.700 1.00 0.00 H new ATOM 440 N GLN A 31 -0.948 0.022 -0.752 1.00 0.00 N ATOM 441 CA GLN A 31 -1.992 -0.912 -0.381 1.00 0.00 C ATOM 442 C GLN A 31 -1.460 -1.913 0.626 1.00 0.00 C ATOM 443 O GLN A 31 -0.302 -2.329 0.549 1.00 0.00 O ATOM 444 CB GLN A 31 -2.540 -1.631 -1.614 1.00 0.00 C ATOM 445 CG GLN A 31 -3.083 -0.691 -2.677 1.00 0.00 C ATOM 446 CD GLN A 31 -3.770 -1.428 -3.810 1.00 0.00 C ATOM 447 OE1 GLN A 31 -4.363 -2.484 -3.610 1.00 0.00 O ATOM 448 NE2 GLN A 31 -3.680 -0.884 -5.013 1.00 0.00 N ATOM 0 H GLN A 31 -0.191 -0.384 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.810 -0.355 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.749 -2.240 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.333 -2.312 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.789 0.002 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.266 -0.093 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.178 -0.005 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.112 -1.344 -5.814 1.00 0.00 H new ATOM 457 N ALA A 32 -2.299 -2.273 1.580 1.00 0.00 N ATOM 458 CA ALA A 32 -1.912 -3.190 2.638 1.00 0.00 C ATOM 459 C ALA A 32 -2.107 -4.634 2.192 1.00 0.00 C ATOM 460 O ALA A 32 -3.233 -5.107 2.051 1.00 0.00 O ATOM 461 CB ALA A 32 -2.713 -2.890 3.898 1.00 0.00 C ATOM 0 H ALA A 32 -3.261 -1.941 1.644 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.854 -3.053 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.419 -3.580 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.517 -1.867 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.776 -3.008 3.690 1.00 0.00 H new ATOM 467 N LEU A 33 -0.997 -5.317 1.945 1.00 0.00 N ATOM 468 CA LEU A 33 -1.015 -6.707 1.503 1.00 0.00 C ATOM 469 C LEU A 33 -0.440 -7.628 2.576 1.00 0.00 C ATOM 470 O LEU A 33 0.308 -7.185 3.456 1.00 0.00 O ATOM 471 CB LEU A 33 -0.192 -6.870 0.213 1.00 0.00 C ATOM 472 CG LEU A 33 -0.935 -6.647 -1.115 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.625 -5.291 -1.151 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.036 -6.768 -2.279 1.00 0.00 C ATOM 0 H LEU A 33 -0.061 -4.925 2.045 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.053 -6.981 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.646 -6.175 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.228 -7.876 0.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.704 -7.414 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.139 -5.170 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.348 -5.229 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.882 -4.502 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.498 -6.609 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.821 -6.019 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.481 -7.763 -2.280 1.00 0.00 H new ATOM 486 N CYS A 34 -0.790 -8.903 2.505 1.00 0.00 N ATOM 487 CA CYS A 34 -0.175 -9.916 3.348 1.00 0.00 C ATOM 488 C CYS A 34 0.940 -10.614 2.584 1.00 0.00 C ATOM 489 O CYS A 34 0.898 -10.697 1.355 1.00 0.00 O ATOM 490 CB CYS A 34 -1.201 -10.951 3.818 1.00 0.00 C ATOM 491 SG CYS A 34 -2.342 -10.372 5.097 1.00 0.00 S ATOM 0 H CYS A 34 -1.501 -9.262 1.868 1.00 0.00 H new ATOM 0 HA CYS A 34 0.234 -9.419 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.782 -11.281 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.668 -11.823 4.196 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.511 -10.908 4.910 1.00 0.00 H new ATOM 496 N PRO A 35 1.958 -11.116 3.295 1.00 0.00 N ATOM 497 CA PRO A 35 3.066 -11.841 2.677 1.00 0.00 C ATOM 498 C PRO A 35 2.648 -13.228 2.191 1.00 0.00 C ATOM 499 O PRO A 35 3.323 -13.831 1.356 1.00 0.00 O ATOM 500 CB PRO A 35 4.108 -11.958 3.802 1.00 0.00 C ATOM 501 CG PRO A 35 3.621 -11.072 4.902 1.00 0.00 C ATOM 502 CD PRO A 35 2.132 -11.000 4.747 1.00 0.00 C ATOM 0 HA PRO A 35 3.441 -11.325 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.201 -12.989 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.094 -11.646 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.893 -11.476 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.069 -10.081 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.629 -11.806 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.729 -10.063 5.130 1.00 0.00 H new ATOM 510 N ASP A 36 1.534 -13.730 2.714 1.00 0.00 N ATOM 511 CA ASP A 36 1.062 -15.056 2.346 1.00 0.00 C ATOM 512 C ASP A 36 -0.152 -14.972 1.422 1.00 0.00 C ATOM 513 O ASP A 36 -0.234 -15.706 0.437 1.00 0.00 O ATOM 514 CB ASP A 36 0.756 -15.891 3.596 1.00 0.00 C ATOM 515 CG ASP A 36 -0.512 -15.483 4.314 1.00 0.00 C ATOM 516 OD1 ASP A 36 -0.696 -14.274 4.581 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.324 -16.381 4.633 1.00 0.00 O ATOM 0 H ASP A 36 0.946 -13.241 3.389 1.00 0.00 H new ATOM 0 HA ASP A 36 1.858 -15.558 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.678 -16.940 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.595 -15.811 4.288 1.00 0.00 H new ATOM 522 N CYS A 37 -1.094 -14.086 1.726 1.00 0.00 N ATOM 523 CA CYS A 37 -2.208 -13.840 0.821 1.00 0.00 C ATOM 524 C CYS A 37 -2.056 -12.471 0.162 1.00 0.00 C ATOM 525 O CYS A 37 -2.387 -11.437 0.747 1.00 0.00 O ATOM 526 CB CYS A 37 -3.564 -13.969 1.538 1.00 0.00 C ATOM 527 SG CYS A 37 -3.793 -12.891 2.978 1.00 0.00 S ATOM 0 H CYS A 37 -1.109 -13.532 2.582 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.189 -14.604 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.356 -13.759 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.689 -15.004 1.857 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.062 -12.768 3.231 1.00 0.00 H new ATOM 532 N ARG A 38 -1.531 -12.468 -1.054 1.00 0.00 N ATOM 533 CA ARG A 38 -1.251 -11.229 -1.756 1.00 0.00 C ATOM 534 C ARG A 38 -2.499 -10.715 -2.455 1.00 0.00 C ATOM 535 O ARG A 38 -2.716 -10.961 -3.643 1.00 0.00 O ATOM 536 CB ARG A 38 -0.127 -11.434 -2.763 1.00 0.00 C ATOM 537 CG ARG A 38 0.525 -10.144 -3.219 1.00 0.00 C ATOM 538 CD ARG A 38 1.706 -10.424 -4.127 1.00 0.00 C ATOM 539 NE ARG A 38 2.603 -11.430 -3.553 1.00 0.00 N ATOM 540 CZ ARG A 38 3.915 -11.475 -3.759 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.502 -10.603 -4.573 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.639 -12.417 -3.168 1.00 0.00 N ATOM 0 H ARG A 38 -1.291 -13.312 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.935 -10.484 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.633 -12.078 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.522 -11.959 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.205 -9.529 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.856 -9.573 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.346 -10.768 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.258 -9.501 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 38 2.192 -12.146 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.945 -9.891 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.510 -10.646 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.188 -13.101 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.647 -12.457 -3.322 1.00 0.00 H new ATOM 556 N GLN A 39 -3.331 -10.033 -1.692 1.00 0.00 N ATOM 557 CA GLN A 39 -4.567 -9.458 -2.195 1.00 0.00 C ATOM 558 C GLN A 39 -4.812 -8.130 -1.495 1.00 0.00 C ATOM 559 O GLN A 39 -4.061 -7.769 -0.592 1.00 0.00 O ATOM 560 CB GLN A 39 -5.748 -10.401 -1.917 1.00 0.00 C ATOM 561 CG GLN A 39 -5.709 -11.714 -2.679 1.00 0.00 C ATOM 562 CD GLN A 39 -6.938 -12.570 -2.422 1.00 0.00 C ATOM 563 OE1 GLN A 39 -7.365 -13.340 -3.281 1.00 0.00 O ATOM 564 NE2 GLN A 39 -7.517 -12.444 -1.236 1.00 0.00 N ATOM 0 H GLN A 39 -3.169 -9.860 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.481 -9.309 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.778 -10.618 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.674 -9.882 -2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.629 -11.509 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.816 -12.270 -2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.135 -11.795 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.345 -12.996 -1.011 1.00 0.00 H new ATOM 573 N PRO A 40 -5.861 -7.383 -1.886 1.00 0.00 N ATOM 574 CA PRO A 40 -6.323 -6.217 -1.118 1.00 0.00 C ATOM 575 C PRO A 40 -6.897 -6.630 0.241 1.00 0.00 C ATOM 576 O PRO A 40 -7.441 -5.806 0.972 1.00 0.00 O ATOM 577 CB PRO A 40 -7.421 -5.604 -1.998 1.00 0.00 C ATOM 578 CG PRO A 40 -7.220 -6.197 -3.351 1.00 0.00 C ATOM 579 CD PRO A 40 -6.645 -7.564 -3.120 1.00 0.00 C ATOM 0 HA PRO A 40 -5.511 -5.523 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.412 -5.838 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.339 -4.518 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.163 -6.257 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.545 -5.585 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.425 -8.316 -2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.020 -7.886 -3.953 1.00 0.00 H new ATOM 587 N LEU A 41 -6.781 -7.926 0.542 1.00 0.00 N ATOM 588 CA LEU A 41 -7.198 -8.506 1.817 1.00 0.00 C ATOM 589 C LEU A 41 -8.703 -8.375 2.024 1.00 0.00 C ATOM 590 O LEU A 41 -9.463 -9.294 1.716 1.00 0.00 O ATOM 591 CB LEU A 41 -6.427 -7.868 2.981 1.00 0.00 C ATOM 592 CG LEU A 41 -4.905 -7.990 2.896 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.258 -7.472 4.170 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.495 -9.429 2.626 1.00 0.00 C ATOM 0 H LEU A 41 -6.389 -8.610 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.962 -9.570 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.689 -6.811 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.761 -8.326 3.912 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.556 -7.379 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.175 -7.566 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.522 -6.424 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.613 -8.054 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.408 -9.493 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.855 -10.067 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.928 -9.760 1.682 1.00 0.00 H new ATOM 606 N GLN A 42 -9.119 -7.232 2.531 1.00 0.00 N ATOM 607 CA GLN A 42 -10.520 -6.934 2.732 1.00 0.00 C ATOM 608 C GLN A 42 -10.659 -5.430 2.892 1.00 0.00 C ATOM 609 O GLN A 42 -9.951 -4.816 3.690 1.00 0.00 O ATOM 610 CB GLN A 42 -11.067 -7.669 3.960 1.00 0.00 C ATOM 611 CG GLN A 42 -12.510 -8.136 3.810 1.00 0.00 C ATOM 612 CD GLN A 42 -13.479 -6.999 3.557 1.00 0.00 C ATOM 613 OE1 GLN A 42 -13.751 -6.641 2.410 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.002 -6.425 4.626 1.00 0.00 N ATOM 0 H GLN A 42 -8.490 -6.481 2.816 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.101 -7.274 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.435 -8.533 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.997 -7.011 4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.572 -8.848 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.810 -8.667 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.748 -6.754 5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.660 -5.653 4.520 1.00 0.00 H new ATOM 623 N VAL A 43 -11.555 -4.841 2.125 1.00 0.00 N ATOM 624 CA VAL A 43 -11.660 -3.397 2.050 1.00 0.00 C ATOM 625 C VAL A 43 -12.498 -2.841 3.195 1.00 0.00 C ATOM 626 O VAL A 43 -13.731 -2.926 3.186 1.00 0.00 O ATOM 627 CB VAL A 43 -12.268 -2.957 0.703 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.325 -1.444 0.600 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.482 -3.551 -0.458 1.00 0.00 C ATOM 0 H VAL A 43 -12.224 -5.343 1.542 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.650 -2.996 2.132 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.290 -3.333 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.758 -1.161 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.941 -1.047 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.317 -1.036 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.926 -3.229 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.448 -3.210 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.509 -4.639 -0.397 1.00 0.00 H new ATOM 639 N LEU A 44 -11.820 -2.290 4.189 1.00 0.00 N ATOM 640 CA LEU A 44 -12.489 -1.634 5.300 1.00 0.00 C ATOM 641 C LEU A 44 -12.592 -0.146 5.008 1.00 0.00 C ATOM 642 O LEU A 44 -11.578 0.524 4.820 1.00 0.00 O ATOM 643 CB LEU A 44 -11.722 -1.850 6.611 1.00 0.00 C ATOM 644 CG LEU A 44 -11.351 -3.301 6.935 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.721 -3.385 8.314 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.568 -4.205 6.855 1.00 0.00 C ATOM 0 H LEU A 44 -10.802 -2.284 4.249 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.484 -2.065 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.806 -1.260 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.323 -1.457 7.431 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.628 -3.642 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.462 -4.421 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.820 -2.772 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.428 -3.023 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.277 -5.229 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.319 -3.869 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.984 -4.167 5.848 1.00 0.00 H new ATOM 658 N LYS A 45 -13.808 0.370 4.944 1.00 0.00 N ATOM 659 CA LYS A 45 -14.005 1.778 4.646 1.00 0.00 C ATOM 660 C LYS A 45 -14.753 2.472 5.774 1.00 0.00 C ATOM 661 O LYS A 45 -15.710 1.930 6.329 1.00 0.00 O ATOM 662 CB LYS A 45 -14.756 1.958 3.325 1.00 0.00 C ATOM 663 CG LYS A 45 -13.993 1.441 2.115 1.00 0.00 C ATOM 664 CD LYS A 45 -14.780 1.630 0.829 1.00 0.00 C ATOM 665 CE LYS A 45 -14.910 3.097 0.446 1.00 0.00 C ATOM 666 NZ LYS A 45 -13.599 3.697 0.070 1.00 0.00 N ATOM 0 H LYS A 45 -14.667 -0.160 5.093 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.021 2.237 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.714 1.441 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.974 3.016 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.039 1.962 2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.768 0.383 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.289 1.087 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.774 1.197 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.605 3.193 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.336 3.653 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.376 4.478 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.855 2.973 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.649 4.059 -0.904 1.00 0.00 H new ATOM 680 N ALA A 46 -14.294 3.664 6.114 1.00 0.00 N ATOM 681 CA ALA A 46 -14.919 4.470 7.149 1.00 0.00 C ATOM 682 C ALA A 46 -14.886 5.937 6.750 1.00 0.00 C ATOM 683 O ALA A 46 -13.811 6.523 6.621 1.00 0.00 O ATOM 684 CB ALA A 46 -14.221 4.261 8.485 1.00 0.00 C ATOM 0 H ALA A 46 -13.479 4.100 5.682 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.958 4.159 7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.703 4.873 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.285 3.211 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.174 4.550 8.397 1.00 0.00 H new ATOM 690 N CYS A 47 -16.065 6.511 6.524 1.00 0.00 N ATOM 691 CA CYS A 47 -16.194 7.902 6.087 1.00 0.00 C ATOM 692 C CYS A 47 -15.454 8.133 4.767 1.00 0.00 C ATOM 693 O CYS A 47 -15.005 9.242 4.477 1.00 0.00 O ATOM 694 CB CYS A 47 -15.666 8.852 7.168 1.00 0.00 C ATOM 695 SG CYS A 47 -16.499 8.680 8.766 1.00 0.00 S ATOM 0 H CYS A 47 -16.956 6.028 6.638 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.252 8.109 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -14.599 8.674 7.304 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.776 9.879 6.821 1.00 0.00 H new ATOM 0 HG CYS A 47 -15.986 9.519 9.616 1.00 0.00 H new ATOM 701 N GLY A 48 -15.350 7.083 3.962 1.00 0.00 N ATOM 702 CA GLY A 48 -14.642 7.182 2.700 1.00 0.00 C ATOM 703 C GLY A 48 -13.251 6.587 2.773 1.00 0.00 C ATOM 704 O GLY A 48 -12.802 5.930 1.832 1.00 0.00 O ATOM 0 H GLY A 48 -15.744 6.163 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.213 6.671 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.572 8.229 2.407 1.00 0.00 H new ATOM 708 N ALA A 49 -12.576 6.802 3.903 1.00 0.00 N ATOM 709 CA ALA A 49 -11.221 6.293 4.106 1.00 0.00 C ATOM 710 C ALA A 49 -11.196 4.775 3.997 1.00 0.00 C ATOM 711 O ALA A 49 -12.172 4.107 4.336 1.00 0.00 O ATOM 712 CB ALA A 49 -10.684 6.737 5.459 1.00 0.00 C ATOM 0 H ALA A 49 -12.948 7.327 4.694 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.580 6.704 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.674 6.350 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.664 7.826 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.329 6.354 6.250 1.00 0.00 H new ATOM 718 N VAL A 50 -10.085 4.232 3.528 1.00 0.00 N ATOM 719 CA VAL A 50 -9.994 2.808 3.268 1.00 0.00 C ATOM 720 C VAL A 50 -8.726 2.209 3.871 1.00 0.00 C ATOM 721 O VAL A 50 -7.658 2.826 3.853 1.00 0.00 O ATOM 722 CB VAL A 50 -10.041 2.523 1.748 1.00 0.00 C ATOM 723 CG1 VAL A 50 -8.914 3.246 1.026 1.00 0.00 C ATOM 724 CG2 VAL A 50 -9.982 1.029 1.471 1.00 0.00 C ATOM 0 H VAL A 50 -9.235 4.756 3.320 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.854 2.336 3.744 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.989 2.901 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.968 3.030 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.011 4.320 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.955 2.906 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.017 0.857 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.055 0.621 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.832 0.537 1.945 1.00 0.00 H new ATOM 734 N ASP A 51 -8.872 1.022 4.436 1.00 0.00 N ATOM 735 CA ASP A 51 -7.745 0.243 4.918 1.00 0.00 C ATOM 736 C ASP A 51 -7.944 -1.207 4.508 1.00 0.00 C ATOM 737 O ASP A 51 -9.068 -1.712 4.531 1.00 0.00 O ATOM 738 CB ASP A 51 -7.613 0.357 6.439 1.00 0.00 C ATOM 739 CG ASP A 51 -6.358 -0.308 6.971 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.244 0.090 6.558 1.00 0.00 O ATOM 741 OD2 ASP A 51 -6.471 -1.220 7.817 1.00 0.00 O ATOM 0 H ASP A 51 -9.777 0.571 4.573 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.825 0.628 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.608 1.410 6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.486 -0.095 6.910 1.00 0.00 H new ATOM 746 N TYR A 52 -6.874 -1.866 4.101 1.00 0.00 N ATOM 747 CA TYR A 52 -6.971 -3.241 3.636 1.00 0.00 C ATOM 748 C TYR A 52 -6.553 -4.193 4.748 1.00 0.00 C ATOM 749 O TYR A 52 -5.383 -4.266 5.119 1.00 0.00 O ATOM 750 CB TYR A 52 -6.124 -3.446 2.379 1.00 0.00 C ATOM 751 CG TYR A 52 -6.476 -2.488 1.262 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.603 -2.694 0.478 1.00 0.00 C ATOM 753 CD2 TYR A 52 -5.688 -1.375 0.998 1.00 0.00 C ATOM 754 CE1 TYR A 52 -7.935 -1.819 -0.537 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.013 -0.496 -0.016 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.137 -0.723 -0.779 1.00 0.00 C ATOM 757 OH TYR A 52 -7.468 0.151 -1.788 1.00 0.00 O ATOM 0 H TYR A 52 -5.932 -1.475 4.082 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.006 -3.456 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.071 -3.326 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.251 -4.469 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.230 -3.553 0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.807 -1.194 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.815 -1.993 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.390 0.364 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.805 0.871 -1.828 1.00 0.00 H new ATOM 767 N PHE A 53 -7.530 -4.903 5.286 1.00 0.00 N ATOM 768 CA PHE A 53 -7.327 -5.711 6.479 1.00 0.00 C ATOM 769 C PHE A 53 -8.191 -6.969 6.413 1.00 0.00 C ATOM 770 O PHE A 53 -9.411 -6.901 6.559 1.00 0.00 O ATOM 771 CB PHE A 53 -7.699 -4.862 7.696 1.00 0.00 C ATOM 772 CG PHE A 53 -7.131 -5.334 8.999 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.818 -5.048 9.335 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.914 -6.039 9.897 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.295 -5.462 10.542 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.397 -6.452 11.106 1.00 0.00 C ATOM 777 CZ PHE A 53 -6.086 -6.163 11.430 1.00 0.00 C ATOM 0 H PHE A 53 -8.479 -4.937 4.913 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.286 -6.026 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.365 -3.839 7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.785 -4.833 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.198 -4.495 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.940 -6.268 9.648 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.268 -5.238 10.792 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.017 -7.001 11.799 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.680 -6.485 12.377 1.00 0.00 H new ATOM 787 N CYS A 54 -7.562 -8.114 6.177 1.00 0.00 N ATOM 788 CA CYS A 54 -8.292 -9.365 6.035 1.00 0.00 C ATOM 789 C CYS A 54 -8.695 -9.908 7.400 1.00 0.00 C ATOM 790 O CYS A 54 -7.933 -10.632 8.036 1.00 0.00 O ATOM 791 CB CYS A 54 -7.453 -10.400 5.268 1.00 0.00 C ATOM 792 SG CYS A 54 -5.807 -10.727 5.973 1.00 0.00 S ATOM 0 H CYS A 54 -6.550 -8.201 6.080 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.198 -9.168 5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.008 -11.338 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.331 -10.057 4.241 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.442 -11.940 5.680 1.00 0.00 H new ATOM 797 N GLN A 55 -9.887 -9.543 7.849 1.00 0.00 N ATOM 798 CA GLN A 55 -10.359 -9.933 9.171 1.00 0.00 C ATOM 799 C GLN A 55 -10.647 -11.431 9.241 1.00 0.00 C ATOM 800 O GLN A 55 -9.791 -12.217 9.641 1.00 0.00 O ATOM 801 CB GLN A 55 -11.613 -9.143 9.551 1.00 0.00 C ATOM 802 CG GLN A 55 -11.405 -7.639 9.606 1.00 0.00 C ATOM 803 CD GLN A 55 -12.657 -6.894 10.037 1.00 0.00 C ATOM 804 OE1 GLN A 55 -12.581 -5.828 10.649 1.00 0.00 O ATOM 805 NE2 GLN A 55 -13.817 -7.455 9.726 1.00 0.00 N ATOM 0 H GLN A 55 -10.547 -8.976 7.316 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.565 -9.705 9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.401 -9.364 8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.965 -9.486 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.595 -7.413 10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.094 -7.282 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.836 -8.339 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.691 -7.002 9.995 1.00 0.00 H new ATOM 814 N ASN A 56 -11.844 -11.822 8.823 1.00 0.00 N ATOM 815 CA ASN A 56 -12.267 -13.213 8.922 1.00 0.00 C ATOM 816 C ASN A 56 -11.948 -13.955 7.631 1.00 0.00 C ATOM 817 O ASN A 56 -11.886 -15.183 7.601 1.00 0.00 O ATOM 818 CB ASN A 56 -13.768 -13.293 9.224 1.00 0.00 C ATOM 819 CG ASN A 56 -14.207 -14.685 9.635 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.600 -15.504 8.801 1.00 0.00 O ATOM 821 ND2 ASN A 56 -14.159 -14.955 10.930 1.00 0.00 N ATOM 0 H ASN A 56 -12.538 -11.197 8.413 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.722 -13.685 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.013 -12.589 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.329 -12.985 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.454 -15.870 11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.827 -14.248 11.586 1.00 0.00 H new ATOM 828 N GLY A 57 -11.717 -13.193 6.570 1.00 0.00 N ATOM 829 CA GLY A 57 -11.416 -13.780 5.279 1.00 0.00 C ATOM 830 C GLY A 57 -10.025 -14.379 5.212 1.00 0.00 C ATOM 831 O GLY A 57 -9.660 -14.999 4.215 1.00 0.00 O ATOM 0 H GLY A 57 -11.733 -12.173 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.150 -14.554 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.515 -13.017 4.507 1.00 0.00 H new ATOM 835 N HIS A 58 -9.247 -14.202 6.275 1.00 0.00 N ATOM 836 CA HIS A 58 -7.893 -14.734 6.325 1.00 0.00 C ATOM 837 C HIS A 58 -7.347 -14.705 7.745 1.00 0.00 C ATOM 838 O HIS A 58 -7.046 -15.743 8.328 1.00 0.00 O ATOM 839 CB HIS A 58 -6.964 -13.937 5.401 1.00 0.00 C ATOM 840 CG HIS A 58 -5.521 -14.339 5.505 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.553 -13.555 6.128 1.00 0.00 N ATOM 842 CD2 HIS A 58 -4.882 -15.452 5.070 1.00 0.00 C ATOM 843 CE1 HIS A 58 -3.387 -14.195 6.058 1.00 0.00 C ATOM 844 NE2 HIS A 58 -3.565 -15.334 5.428 1.00 0.00 N ATOM 0 H HIS A 58 -9.532 -13.694 7.112 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.932 -15.769 5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.294 -14.065 4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.055 -12.876 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.329 -16.280 4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.449 -13.836 6.454 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.837 -16.022 5.236 1.00 0.00 H new ATOM 852 N GLY A 59 -7.221 -13.505 8.292 1.00 0.00 N ATOM 853 CA GLY A 59 -6.592 -13.343 9.581 1.00 0.00 C ATOM 854 C GLY A 59 -5.916 -12.000 9.679 1.00 0.00 C ATOM 855 O GLY A 59 -5.273 -11.554 8.710 1.00 0.00 O ATOM 0 H GLY A 59 -7.545 -12.639 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.338 -13.438 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.861 -14.136 9.736 1.00 0.00 H new ATOM 859 N LEU A 60 -6.065 -11.361 10.826 1.00 0.00 N ATOM 860 CA LEU A 60 -5.592 -9.999 11.036 1.00 0.00 C ATOM 861 C LEU A 60 -4.075 -9.946 11.172 1.00 0.00 C ATOM 862 O LEU A 60 -3.431 -10.943 11.501 1.00 0.00 O ATOM 863 CB LEU A 60 -6.241 -9.393 12.291 1.00 0.00 C ATOM 864 CG LEU A 60 -5.812 -10.002 13.637 1.00 0.00 C ATOM 865 CD1 LEU A 60 -6.176 -9.064 14.778 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.466 -11.359 13.859 1.00 0.00 C ATOM 0 H LEU A 60 -6.519 -11.771 11.642 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.878 -9.417 10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.019 -8.326 12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.323 -9.491 12.199 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.731 -10.140 13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.867 -9.506 15.725 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.668 -8.110 14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.254 -8.903 14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.144 -11.765 14.818 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.550 -11.245 13.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.172 -12.040 13.060 1.00 0.00 H new ATOM 878 N ILE A 61 -3.509 -8.780 10.890 1.00 0.00 N ATOM 879 CA ILE A 61 -2.085 -8.547 11.089 1.00 0.00 C ATOM 880 C ILE A 61 -1.900 -7.287 11.910 1.00 0.00 C ATOM 881 O ILE A 61 -2.740 -6.392 11.866 1.00 0.00 O ATOM 882 CB ILE A 61 -1.302 -8.340 9.764 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.917 -9.121 8.602 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.163 -8.730 9.942 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.047 -8.388 7.904 1.00 0.00 C ATOM 0 H ILE A 61 -4.018 -7.977 10.521 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.697 -9.437 11.584 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.365 -7.280 9.517 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.137 -9.346 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.290 -10.075 8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.696 -8.579 9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.612 -8.111 10.719 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.228 -9.779 10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.433 -9.004 7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.846 -8.187 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.675 -7.446 7.500 1.00 0.00 H new ATOM 897 N SER A 62 -0.820 -7.215 12.662 1.00 0.00 N ATOM 898 CA SER A 62 -0.416 -5.953 13.241 1.00 0.00 C ATOM 899 C SER A 62 -0.007 -5.035 12.098 1.00 0.00 C ATOM 900 O SER A 62 0.730 -5.455 11.206 1.00 0.00 O ATOM 901 CB SER A 62 0.747 -6.150 14.219 1.00 0.00 C ATOM 902 OG SER A 62 1.140 -4.919 14.806 1.00 0.00 O ATOM 0 H SER A 62 -0.214 -8.005 12.884 1.00 0.00 H new ATOM 0 HA SER A 62 -1.239 -5.515 13.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.453 -6.851 15.000 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.594 -6.593 13.696 1.00 0.00 H new ATOM 0 HG SER A 62 1.882 -5.075 15.427 1.00 0.00 H new ATOM 908 N LYS A 63 -0.483 -3.794 12.107 1.00 0.00 N ATOM 909 CA LYS A 63 -0.231 -2.875 10.997 1.00 0.00 C ATOM 910 C LYS A 63 1.254 -2.525 10.908 1.00 0.00 C ATOM 911 O LYS A 63 1.704 -1.901 9.950 1.00 0.00 O ATOM 912 CB LYS A 63 -1.088 -1.614 11.138 1.00 0.00 C ATOM 913 CG LYS A 63 -2.581 -1.912 11.192 1.00 0.00 C ATOM 914 CD LYS A 63 -3.424 -0.644 11.160 1.00 0.00 C ATOM 915 CE LYS A 63 -3.407 0.014 9.787 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.020 -0.855 8.746 1.00 0.00 N ATOM 0 H LYS A 63 -1.042 -3.401 12.864 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.512 -3.372 10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.796 -1.082 12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.886 -0.948 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.853 -2.548 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.805 -2.472 12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.451 -0.884 11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.051 0.059 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.945 0.961 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.379 0.244 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.973 -0.377 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.502 -1.755 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.014 -1.040 8.990 1.00 0.00 H new ATOM 930 N LYS A 64 1.999 -2.961 11.913 1.00 0.00 N ATOM 931 CA LYS A 64 3.443 -2.801 11.956 1.00 0.00 C ATOM 932 C LYS A 64 4.121 -3.849 11.067 1.00 0.00 C ATOM 933 O LYS A 64 5.295 -3.721 10.715 1.00 0.00 O ATOM 934 CB LYS A 64 3.911 -2.962 13.404 1.00 0.00 C ATOM 935 CG LYS A 64 5.351 -2.547 13.656 1.00 0.00 C ATOM 936 CD LYS A 64 5.786 -2.939 15.058 1.00 0.00 C ATOM 937 CE LYS A 64 7.092 -2.274 15.453 1.00 0.00 C ATOM 938 NZ LYS A 64 6.953 -0.798 15.557 1.00 0.00 N ATOM 0 H LYS A 64 1.614 -3.439 12.728 1.00 0.00 H new ATOM 0 HA LYS A 64 3.713 -1.812 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.259 -2.373 14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.791 -4.005 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.004 -3.019 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.452 -1.469 13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.008 -2.663 15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.899 -4.022 15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.429 -2.675 16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.859 -2.515 14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.737 -0.415 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.976 -0.379 14.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.049 -0.566 16.015 1.00 0.00 H new ATOM 952 N ARG A 65 3.373 -4.890 10.711 1.00 0.00 N ATOM 953 CA ARG A 65 3.915 -5.991 9.922 1.00 0.00 C ATOM 954 C ARG A 65 3.159 -6.190 8.617 1.00 0.00 C ATOM 955 O ARG A 65 3.361 -7.187 7.923 1.00 0.00 O ATOM 956 CB ARG A 65 3.889 -7.294 10.719 1.00 0.00 C ATOM 957 CG ARG A 65 4.969 -7.381 11.781 1.00 0.00 C ATOM 958 CD ARG A 65 6.330 -7.019 11.209 1.00 0.00 C ATOM 959 NE ARG A 65 6.604 -7.709 9.949 1.00 0.00 N ATOM 960 CZ ARG A 65 7.650 -7.450 9.169 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.561 -6.557 9.538 1.00 0.00 N ATOM 962 NH2 ARG A 65 7.778 -8.080 8.011 1.00 0.00 N ATOM 0 H ARG A 65 2.389 -4.994 10.957 1.00 0.00 H new ATOM 0 HA ARG A 65 4.945 -5.725 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.914 -7.399 11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.000 -8.132 10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.727 -6.710 12.605 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.000 -8.391 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.380 -5.942 11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.105 -7.270 11.934 1.00 0.00 H new ATOM 0 HE ARG A 65 5.952 -8.434 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.462 -6.064 10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.360 -6.364 8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.076 -8.761 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.578 -7.884 7.410 1.00 0.00 H new ATOM 976 N VAL A 66 2.295 -5.252 8.282 1.00 0.00 N ATOM 977 CA VAL A 66 1.543 -5.337 7.041 1.00 0.00 C ATOM 978 C VAL A 66 2.378 -4.776 5.895 1.00 0.00 C ATOM 979 O VAL A 66 3.078 -3.776 6.063 1.00 0.00 O ATOM 980 CB VAL A 66 0.204 -4.579 7.139 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.580 -4.700 5.847 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.621 -5.097 8.304 1.00 0.00 C ATOM 0 H VAL A 66 2.095 -4.426 8.846 1.00 0.00 H new ATOM 0 HA VAL A 66 1.318 -6.387 6.851 1.00 0.00 H new ATOM 0 HB VAL A 66 0.426 -3.526 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.521 -4.157 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.002 -4.279 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.786 -5.751 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.562 -4.549 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.826 -6.158 8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.068 -4.956 9.233 1.00 0.00 H new ATOM 992 N ASN A 67 2.320 -5.428 4.743 1.00 0.00 N ATOM 993 CA ASN A 67 3.132 -5.025 3.605 1.00 0.00 C ATOM 994 C ASN A 67 2.433 -3.929 2.812 1.00 0.00 C ATOM 995 O ASN A 67 1.575 -4.207 1.976 1.00 0.00 O ATOM 996 CB ASN A 67 3.422 -6.223 2.694 1.00 0.00 C ATOM 997 CG ASN A 67 4.414 -5.896 1.592 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.329 -5.092 1.781 1.00 0.00 O ATOM 999 ND2 ASN A 67 4.240 -6.518 0.433 1.00 0.00 N ATOM 0 H ASN A 67 1.721 -6.236 4.572 1.00 0.00 H new ATOM 0 HA ASN A 67 4.077 -4.638 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.811 -7.045 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.490 -6.568 2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.877 -6.338 -0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.470 -7.176 0.318 1.00 0.00 H new ATOM 1006 N PHE A 68 2.776 -2.683 3.103 1.00 0.00 N ATOM 1007 CA PHE A 68 2.230 -1.553 2.367 1.00 0.00 C ATOM 1008 C PHE A 68 3.049 -1.309 1.104 1.00 0.00 C ATOM 1009 O PHE A 68 4.128 -0.723 1.157 1.00 0.00 O ATOM 1010 CB PHE A 68 2.214 -0.291 3.235 1.00 0.00 C ATOM 1011 CG PHE A 68 1.288 -0.370 4.416 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -0.045 -0.015 4.292 1.00 0.00 C ATOM 1013 CD2 PHE A 68 1.751 -0.796 5.651 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.899 -0.081 5.376 1.00 0.00 C ATOM 1015 CE2 PHE A 68 0.902 -0.864 6.739 1.00 0.00 C ATOM 1016 CZ PHE A 68 -0.425 -0.509 6.602 1.00 0.00 C ATOM 0 H PHE A 68 3.430 -2.429 3.844 1.00 0.00 H new ATOM 0 HA PHE A 68 1.203 -1.789 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.225 -0.096 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.925 0.559 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.422 0.318 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.787 -1.078 5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.936 0.201 5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.276 -1.195 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.091 -0.565 7.450 1.00 0.00 H new ATOM 1026 N VAL A 69 2.541 -1.780 -0.021 1.00 0.00 N ATOM 1027 CA VAL A 69 3.251 -1.662 -1.285 1.00 0.00 C ATOM 1028 C VAL A 69 2.622 -0.581 -2.163 1.00 0.00 C ATOM 1029 O VAL A 69 1.402 -0.407 -2.170 1.00 0.00 O ATOM 1030 CB VAL A 69 3.271 -3.015 -2.037 1.00 0.00 C ATOM 1031 CG1 VAL A 69 1.858 -3.483 -2.366 1.00 0.00 C ATOM 1032 CG2 VAL A 69 4.118 -2.928 -3.299 1.00 0.00 C ATOM 0 H VAL A 69 1.638 -2.249 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 69 4.279 -1.375 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 69 3.725 -3.753 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.904 -4.436 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.291 -3.607 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.367 -2.742 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.114 -3.892 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.706 -2.167 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.141 -2.662 -3.033 1.00 0.00 H new ATOM 1042 N ILE A 70 3.459 0.162 -2.880 1.00 0.00 N ATOM 1043 CA ILE A 70 2.976 1.184 -3.796 1.00 0.00 C ATOM 1044 C ILE A 70 2.528 0.550 -5.107 1.00 0.00 C ATOM 1045 O ILE A 70 3.348 0.259 -5.982 1.00 0.00 O ATOM 1046 CB ILE A 70 4.059 2.241 -4.100 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.588 2.861 -2.805 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.496 3.322 -5.012 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.700 3.869 -3.022 1.00 0.00 C ATOM 0 H ILE A 70 4.475 0.074 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 70 2.135 1.677 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 70 4.889 1.749 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.765 3.348 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.952 2.066 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.269 4.062 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.164 2.872 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.651 3.807 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.024 4.266 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.541 3.382 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.335 4.684 -3.647 1.00 0.00 H new ATOM 1061 N SER A 71 1.235 0.313 -5.231 1.00 0.00 N ATOM 1062 CA SER A 71 0.687 -0.278 -6.435 1.00 0.00 C ATOM 1063 C SER A 71 -0.282 0.681 -7.122 1.00 0.00 C ATOM 1064 O SER A 71 -1.479 0.697 -6.832 1.00 0.00 O ATOM 1065 CB SER A 71 0.009 -1.610 -6.103 1.00 0.00 C ATOM 1066 OG SER A 71 -0.748 -1.513 -4.907 1.00 0.00 O ATOM 0 H SER A 71 0.544 0.522 -4.510 1.00 0.00 H new ATOM 0 HA SER A 71 1.502 -0.472 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.642 -1.906 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.764 -2.389 -5.997 1.00 0.00 H new ATOM 0 HG SER A 71 -1.172 -2.376 -4.718 1.00 0.00 H new