USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HD1:sc= 0.207 K(o=1.4,f=-2.7) USER MOD Set 1.2: B 13 SER OG : rot 113:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.458 K(o=0.46,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 17 SER OG : rot 108:sc= 0.779 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.0052) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -140:sc= 0.412 USER MOD Single : A 32 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.2) USER MOD Single : A 36 TYR OH : rot 30:sc= 0.424 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.1) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0218) USER MOD Single : A 62 ASN : amide:sc= 0.798 K(o=0.8,f=-0.03) USER MOD Single : A 65 SER OG : rot 161:sc= 1.26 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0568) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 91:sc= 1.06 USER MOD Single : A 80 ASN : amide:sc= 0.488 K(o=0.49,f=-0.47) USER MOD Single : A 81 THR OG1 : rot -95:sc= 0.205 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 86 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.016) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.392 3.619 -9.620 1.00 0.00 N ATOM 54 CA GLY A 4 -11.076 3.098 -9.410 1.00 0.00 C ATOM 55 C GLY A 4 -10.234 3.328 -10.619 1.00 0.00 C ATOM 56 O GLY A 4 -9.917 2.413 -11.377 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.621 3.578 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.129 2.031 -9.192 1.00 0.00 H new ATOM 60 N ASP A 5 -9.833 4.594 -10.838 1.00 0.00 N ATOM 61 CA ASP A 5 -8.904 4.976 -11.854 1.00 0.00 C ATOM 62 C ASP A 5 -7.520 4.688 -11.383 1.00 0.00 C ATOM 63 O ASP A 5 -7.189 4.851 -10.209 1.00 0.00 O ATOM 64 CB ASP A 5 -9.144 6.454 -12.204 1.00 0.00 C ATOM 65 CG ASP A 5 -8.456 6.922 -13.478 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.427 6.153 -14.476 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.972 8.085 -13.494 1.00 0.00 O ATOM 0 H ASP A 5 -10.170 5.382 -10.285 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.044 4.402 -12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.217 6.621 -12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.801 7.071 -11.373 1.00 0.00 H new ATOM 72 N ILE A 6 -6.644 4.192 -12.275 1.00 0.00 N ATOM 73 CA ILE A 6 -5.304 3.815 -11.948 1.00 0.00 C ATOM 74 C ILE A 6 -4.452 5.037 -11.960 1.00 0.00 C ATOM 75 O ILE A 6 -4.538 5.861 -12.869 1.00 0.00 O ATOM 76 CB ILE A 6 -4.792 2.754 -12.877 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.380 1.375 -12.531 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.259 2.636 -12.851 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.807 1.113 -13.013 1.00 0.00 C ATOM 0 H ILE A 6 -6.877 4.048 -13.258 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.276 3.376 -10.951 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.109 3.062 -13.874 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.729 0.609 -12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.356 1.253 -11.448 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.943 1.854 -13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.816 3.586 -13.151 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.930 2.385 -11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.115 0.112 -12.712 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.481 1.848 -12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.845 1.193 -14.099 1.00 0.00 H new ATOM 91 N PHE A 7 -3.597 5.231 -10.940 1.00 0.00 N ATOM 92 CA PHE A 7 -2.736 6.371 -10.865 1.00 0.00 C ATOM 93 C PHE A 7 -1.345 5.969 -10.510 1.00 0.00 C ATOM 94 O PHE A 7 -1.097 4.951 -9.866 1.00 0.00 O ATOM 95 CB PHE A 7 -3.283 7.503 -9.980 1.00 0.00 C ATOM 96 CG PHE A 7 -3.330 7.226 -8.517 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.342 6.474 -7.968 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.395 7.796 -7.684 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.426 6.304 -6.606 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.477 7.638 -6.321 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.497 6.893 -5.780 1.00 0.00 C ATOM 0 H PHE A 7 -3.502 4.587 -10.155 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.704 6.805 -11.865 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.672 8.391 -10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.291 7.745 -10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.077 6.013 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.587 8.375 -8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.222 5.708 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.742 8.098 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.569 6.770 -4.709 1.00 0.00 H new ATOM 111 N GLU A 8 -0.363 6.769 -10.961 1.00 0.00 N ATOM 112 CA GLU A 8 1.031 6.533 -10.745 1.00 0.00 C ATOM 113 C GLU A 8 1.528 7.455 -9.686 1.00 0.00 C ATOM 114 O GLU A 8 1.274 8.659 -9.708 1.00 0.00 O ATOM 115 CB GLU A 8 1.808 6.730 -12.058 1.00 0.00 C ATOM 116 CG GLU A 8 1.476 8.025 -12.803 1.00 0.00 C ATOM 117 CD GLU A 8 2.338 8.221 -14.042 1.00 0.00 C ATOM 118 OE1 GLU A 8 2.210 7.422 -15.008 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.150 9.185 -14.069 1.00 0.00 O ATOM 0 H GLU A 8 -0.548 7.616 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 8 1.184 5.506 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.876 6.715 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.605 5.885 -12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.425 8.015 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.613 8.872 -12.131 1.00 0.00 H new ATOM 126 N VAL A 9 2.242 6.929 -8.675 1.00 0.00 N ATOM 127 CA VAL A 9 2.972 7.730 -7.742 1.00 0.00 C ATOM 128 C VAL A 9 4.425 7.690 -8.070 1.00 0.00 C ATOM 129 O VAL A 9 5.052 6.631 -8.023 1.00 0.00 O ATOM 130 CB VAL A 9 2.688 7.379 -6.313 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.671 8.048 -5.335 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.257 7.860 -6.022 1.00 0.00 C ATOM 0 H VAL A 9 2.314 5.926 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 9 2.627 8.759 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 9 2.801 6.304 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.421 7.761 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.687 7.727 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.602 9.131 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.998 7.628 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.196 8.937 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.561 7.357 -6.693 1.00 0.00 H new ATOM 142 N GLU A 10 5.009 8.854 -8.405 1.00 0.00 N ATOM 143 CA GLU A 10 6.422 9.044 -8.512 1.00 0.00 C ATOM 144 C GLU A 10 6.818 9.974 -7.417 1.00 0.00 C ATOM 145 O GLU A 10 6.578 11.179 -7.481 1.00 0.00 O ATOM 146 CB GLU A 10 6.819 9.635 -9.876 1.00 0.00 C ATOM 147 CG GLU A 10 8.326 9.825 -10.057 1.00 0.00 C ATOM 148 CD GLU A 10 8.720 10.375 -11.419 1.00 0.00 C ATOM 149 OE1 GLU A 10 7.853 10.550 -12.316 1.00 0.00 O ATOM 150 OE2 GLU A 10 9.934 10.659 -11.604 1.00 0.00 O ATOM 0 H GLU A 10 4.474 9.698 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 10 6.931 8.084 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.448 8.981 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.324 10.598 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.692 10.500 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.824 8.867 -9.905 1.00 0.00 H new ATOM 157 N LEU A 11 7.383 9.435 -6.323 1.00 0.00 N ATOM 158 CA LEU A 11 7.766 10.183 -5.165 1.00 0.00 C ATOM 159 C LEU A 11 9.118 9.748 -4.717 1.00 0.00 C ATOM 160 O LEU A 11 9.682 8.766 -5.196 1.00 0.00 O ATOM 161 CB LEU A 11 6.671 9.992 -4.102 1.00 0.00 C ATOM 162 CG LEU A 11 6.642 10.935 -2.888 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.648 12.421 -3.284 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.376 10.653 -2.060 1.00 0.00 C ATOM 0 H LEU A 11 7.581 8.438 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 11 7.848 11.250 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.707 10.071 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.751 8.972 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 11 7.547 10.743 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.627 13.037 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.550 12.642 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.771 12.639 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.350 11.319 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.493 10.822 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.387 9.618 -1.719 1.00 0.00 H new ATOM 176 N ALA A 12 9.735 10.465 -3.760 1.00 0.00 N ATOM 177 CA ALA A 12 10.992 10.068 -3.205 1.00 0.00 C ATOM 178 C ALA A 12 11.035 10.489 -1.776 1.00 0.00 C ATOM 179 O ALA A 12 10.272 11.345 -1.331 1.00 0.00 O ATOM 180 CB ALA A 12 12.166 10.689 -3.981 1.00 0.00 C ATOM 0 H ALA A 12 9.359 11.328 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 12 11.090 8.985 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.107 10.368 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.128 10.364 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.096 11.776 -3.938 1.00 0.00 H new ATOM 186 N LYS A 13 11.944 9.883 -0.993 1.00 0.00 N ATOM 187 CA LYS A 13 12.185 10.189 0.383 1.00 0.00 C ATOM 188 C LYS A 13 12.864 11.503 0.561 1.00 0.00 C ATOM 189 O LYS A 13 14.060 11.641 0.305 1.00 0.00 O ATOM 190 CB LYS A 13 13.039 9.064 0.992 1.00 0.00 C ATOM 191 CG LYS A 13 13.429 9.216 2.463 1.00 0.00 C ATOM 192 CD LYS A 13 14.253 8.025 2.956 1.00 0.00 C ATOM 193 CE LYS A 13 14.797 8.216 4.373 1.00 0.00 C ATOM 194 NZ LYS A 13 15.552 7.022 4.813 1.00 0.00 N ATOM 0 H LYS A 13 12.546 9.136 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 13 11.224 10.261 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.496 8.126 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.953 8.975 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.002 10.134 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.529 9.312 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.635 7.127 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.086 7.860 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.444 9.092 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.973 8.404 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.912 7.174 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.925 6.192 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.351 6.859 4.167 1.00 0.00 H new ATOM 208 N ASN A 14 12.125 12.531 1.013 1.00 0.00 N ATOM 209 CA ASN A 14 12.653 13.773 1.484 1.00 0.00 C ATOM 210 C ASN A 14 12.630 13.816 2.974 1.00 0.00 C ATOM 211 O ASN A 14 13.670 13.878 3.625 1.00 0.00 O ATOM 212 CB ASN A 14 12.004 14.994 0.811 1.00 0.00 C ATOM 213 CG ASN A 14 10.491 15.111 0.932 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.773 14.181 1.296 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.969 16.331 0.635 1.00 0.00 N ATOM 0 H ASN A 14 11.106 12.494 1.052 1.00 0.00 H new ATOM 0 HA ASN A 14 13.699 13.833 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.451 15.894 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.261 14.977 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.964 16.488 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.582 17.089 0.335 1.00 0.00 H new ATOM 222 N ASP A 15 11.434 13.756 3.588 1.00 0.00 N ATOM 223 CA ASP A 15 11.238 13.703 5.004 1.00 0.00 C ATOM 224 C ASP A 15 11.312 12.285 5.455 1.00 0.00 C ATOM 225 O ASP A 15 12.235 11.871 6.156 1.00 0.00 O ATOM 226 CB ASP A 15 9.886 14.362 5.327 1.00 0.00 C ATOM 227 CG ASP A 15 9.839 14.885 6.755 1.00 0.00 C ATOM 228 OD1 ASP A 15 9.855 14.076 7.721 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.801 16.132 6.930 1.00 0.00 O ATOM 0 H ASP A 15 10.557 13.744 3.068 1.00 0.00 H new ATOM 0 HA ASP A 15 12.015 14.249 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.707 15.183 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.084 13.639 5.178 1.00 0.00 H new ATOM 234 N ASN A 16 10.339 11.463 5.024 1.00 0.00 N ATOM 235 CA ASN A 16 10.238 10.066 5.313 1.00 0.00 C ATOM 236 C ASN A 16 9.842 9.386 4.047 1.00 0.00 C ATOM 237 O ASN A 16 9.621 10.039 3.028 1.00 0.00 O ATOM 238 CB ASN A 16 9.197 9.883 6.431 1.00 0.00 C ATOM 239 CG ASN A 16 9.263 8.537 7.138 1.00 0.00 C ATOM 240 OD1 ASN A 16 8.401 7.679 6.951 1.00 0.00 O ATOM 241 ND2 ASN A 16 10.300 8.331 7.993 1.00 0.00 N ATOM 0 H ASN A 16 9.575 11.796 4.436 1.00 0.00 H new ATOM 0 HA ASN A 16 11.176 9.634 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.331 10.674 7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.201 10.008 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.377 7.448 8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.001 9.059 8.129 1.00 0.00 H new ATOM 248 N SER A 17 9.750 8.045 4.030 1.00 0.00 N ATOM 249 CA SER A 17 9.384 7.303 2.863 1.00 0.00 C ATOM 250 C SER A 17 7.906 7.247 2.693 1.00 0.00 C ATOM 251 O SER A 17 7.378 7.854 1.762 1.00 0.00 O ATOM 252 CB SER A 17 10.019 5.902 2.858 1.00 0.00 C ATOM 253 OG SER A 17 9.982 5.278 1.583 1.00 0.00 O ATOM 0 H SER A 17 9.934 7.462 4.846 1.00 0.00 H new ATOM 0 HA SER A 17 9.785 7.834 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.055 5.978 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.499 5.272 3.580 1.00 0.00 H new ATOM 0 HG SER A 17 10.883 5.268 1.198 1.00 0.00 H new ATOM 259 N LEU A 18 7.148 6.538 3.548 1.00 0.00 N ATOM 260 CA LEU A 18 5.719 6.603 3.548 1.00 0.00 C ATOM 261 C LEU A 18 5.195 7.419 4.679 1.00 0.00 C ATOM 262 O LEU A 18 5.234 8.648 4.638 1.00 0.00 O ATOM 263 CB LEU A 18 5.058 5.219 3.432 1.00 0.00 C ATOM 264 CG LEU A 18 4.965 4.710 1.984 1.00 0.00 C ATOM 265 CD1 LEU A 18 6.299 4.201 1.411 1.00 0.00 C ATOM 266 CD2 LEU A 18 3.897 3.610 1.860 1.00 0.00 C ATOM 0 H LEU A 18 7.534 5.908 4.252 1.00 0.00 H new ATOM 0 HA LEU A 18 5.430 7.131 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.625 4.502 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.056 5.265 3.859 1.00 0.00 H new ATOM 0 HG LEU A 18 4.682 5.579 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.149 3.860 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.031 5.009 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.664 3.373 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.848 3.265 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.158 2.775 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.927 4.010 2.155 1.00 0.00 H new ATOM 278 N GLY A 19 4.633 6.780 5.720 1.00 0.00 N ATOM 279 CA GLY A 19 3.927 7.424 6.784 1.00 0.00 C ATOM 280 C GLY A 19 2.453 7.377 6.578 1.00 0.00 C ATOM 281 O GLY A 19 1.784 8.408 6.544 1.00 0.00 O ATOM 0 H GLY A 19 4.673 5.766 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.177 6.943 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.251 8.462 6.859 1.00 0.00 H new ATOM 285 N ILE A 20 1.884 6.166 6.437 1.00 0.00 N ATOM 286 CA ILE A 20 0.488 5.969 6.205 1.00 0.00 C ATOM 287 C ILE A 20 0.060 4.736 6.924 1.00 0.00 C ATOM 288 O ILE A 20 0.900 3.947 7.352 1.00 0.00 O ATOM 289 CB ILE A 20 0.197 5.968 4.733 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.263 6.308 4.391 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.661 4.666 4.059 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.482 6.602 2.907 1.00 0.00 C ATOM 0 H ILE A 20 2.414 5.296 6.486 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.103 6.792 6.606 1.00 0.00 H new ATOM 0 HB ILE A 20 0.789 6.783 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.902 5.476 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.574 7.174 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.432 4.706 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.736 4.549 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.144 3.819 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.533 6.834 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.868 7.453 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.201 5.729 2.318 1.00 0.00 H new ATOM 304 N SER A 21 -1.247 4.488 7.128 1.00 0.00 N ATOM 305 CA SER A 21 -1.711 3.377 7.899 1.00 0.00 C ATOM 306 C SER A 21 -2.607 2.514 7.079 1.00 0.00 C ATOM 307 O SER A 21 -3.426 3.002 6.302 1.00 0.00 O ATOM 308 CB SER A 21 -2.483 3.833 9.149 1.00 0.00 C ATOM 309 OG SER A 21 -2.625 2.775 10.086 1.00 0.00 O ATOM 0 H SER A 21 -1.995 5.070 6.750 1.00 0.00 H new ATOM 0 HA SER A 21 -0.830 2.818 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.960 4.667 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.468 4.197 8.857 1.00 0.00 H new ATOM 0 HG SER A 21 -3.118 3.096 10.870 1.00 0.00 H new ATOM 315 N VAL A 22 -2.461 1.182 7.200 1.00 0.00 N ATOM 316 CA VAL A 22 -3.034 0.217 6.313 1.00 0.00 C ATOM 317 C VAL A 22 -3.871 -0.726 7.106 1.00 0.00 C ATOM 318 O VAL A 22 -3.683 -0.913 8.307 1.00 0.00 O ATOM 319 CB VAL A 22 -1.933 -0.467 5.556 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.372 -1.703 4.754 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.335 0.539 4.558 1.00 0.00 C ATOM 0 H VAL A 22 -1.918 0.758 7.952 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.685 0.688 5.576 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.222 -0.812 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.510 -2.129 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.795 -2.445 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.123 -1.412 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.532 0.061 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.111 0.873 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.938 1.397 5.100 1.00 0.00 H new ATOM 331 N THR A 23 -4.875 -1.357 6.471 1.00 0.00 N ATOM 332 CA THR A 23 -5.721 -2.314 7.114 1.00 0.00 C ATOM 333 C THR A 23 -5.968 -3.491 6.235 1.00 0.00 C ATOM 334 O THR A 23 -6.874 -3.546 5.405 1.00 0.00 O ATOM 335 CB THR A 23 -6.979 -1.719 7.674 1.00 0.00 C ATOM 336 OG1 THR A 23 -7.741 -2.671 8.401 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.885 -1.044 6.631 1.00 0.00 C ATOM 0 H THR A 23 -5.104 -1.199 5.490 1.00 0.00 H new ATOM 0 HA THR A 23 -5.179 -2.676 7.988 1.00 0.00 H new ATOM 0 HB THR A 23 -6.622 -0.938 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.551 -2.244 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.770 -0.642 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.340 -0.234 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.187 -1.777 5.883 1.00 0.00 H new ATOM 345 N GLY A 24 -5.147 -4.543 6.407 1.00 0.00 N ATOM 346 CA GLY A 24 -5.422 -5.849 5.894 1.00 0.00 C ATOM 347 C GLY A 24 -5.218 -6.072 4.435 1.00 0.00 C ATOM 348 O GLY A 24 -4.376 -5.448 3.789 1.00 0.00 O ATOM 0 H GLY A 24 -4.266 -4.483 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.797 -6.561 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.458 -6.092 6.130 1.00 0.00 H new ATOM 352 N GLY A 25 -5.990 -7.029 3.887 1.00 0.00 N ATOM 353 CA GLY A 25 -5.796 -7.574 2.580 1.00 0.00 C ATOM 354 C GLY A 25 -5.055 -8.864 2.669 1.00 0.00 C ATOM 355 O GLY A 25 -3.840 -8.914 2.483 1.00 0.00 O ATOM 0 H GLY A 25 -6.784 -7.440 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.760 -7.732 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.241 -6.868 1.962 1.00 0.00 H new ATOM 359 N VAL A 26 -5.757 -9.958 3.016 1.00 0.00 N ATOM 360 CA VAL A 26 -5.122 -11.149 3.488 1.00 0.00 C ATOM 361 C VAL A 26 -5.351 -12.330 2.609 1.00 0.00 C ATOM 362 O VAL A 26 -4.733 -12.475 1.555 1.00 0.00 O ATOM 363 CB VAL A 26 -5.437 -11.444 4.925 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.388 -12.418 5.490 1.00 0.00 C ATOM 365 CG2 VAL A 26 -5.431 -10.161 5.773 1.00 0.00 C ATOM 0 H VAL A 26 -6.774 -10.017 2.969 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.053 -10.942 3.438 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.432 -11.886 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.616 -12.633 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.406 -13.345 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.398 -11.967 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.663 -10.408 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.446 -9.696 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.180 -9.468 5.389 1.00 0.00 H new ATOM 375 N ASN A 27 -6.219 -13.276 3.008 1.00 0.00 N ATOM 376 CA ASN A 27 -6.274 -14.605 2.485 1.00 0.00 C ATOM 377 C ASN A 27 -6.944 -14.600 1.154 1.00 0.00 C ATOM 378 O ASN A 27 -6.420 -15.080 0.149 1.00 0.00 O ATOM 379 CB ASN A 27 -7.011 -15.550 3.450 1.00 0.00 C ATOM 380 CG ASN A 27 -6.472 -15.460 4.871 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.178 -15.063 5.797 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.183 -15.836 5.084 1.00 0.00 N ATOM 0 H ASN A 27 -6.917 -13.105 3.732 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.254 -14.971 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.074 -15.308 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.918 -16.576 3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.787 -15.791 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.612 -16.163 4.305 1.00 0.00 H new ATOM 389 N THR A 28 -8.137 -13.984 1.102 1.00 0.00 N ATOM 390 CA THR A 28 -8.694 -13.425 -0.091 1.00 0.00 C ATOM 391 C THR A 28 -9.524 -12.298 0.421 1.00 0.00 C ATOM 392 O THR A 28 -10.138 -12.403 1.482 1.00 0.00 O ATOM 393 CB THR A 28 -9.443 -14.386 -0.965 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.900 -13.774 -2.162 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.644 -15.026 -0.249 1.00 0.00 C ATOM 0 H THR A 28 -8.736 -13.871 1.920 1.00 0.00 H new ATOM 0 HA THR A 28 -7.917 -13.104 -0.784 1.00 0.00 H new ATOM 0 HB THR A 28 -8.724 -15.168 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.381 -14.434 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.149 -15.712 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.296 -15.573 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.339 -14.247 0.063 1.00 0.00 H new ATOM 403 N SER A 29 -9.505 -11.118 -0.224 1.00 0.00 N ATOM 404 CA SER A 29 -10.058 -9.948 0.382 1.00 0.00 C ATOM 405 C SER A 29 -10.552 -8.999 -0.655 1.00 0.00 C ATOM 406 O SER A 29 -11.725 -9.039 -1.021 1.00 0.00 O ATOM 407 CB SER A 29 -9.083 -9.214 1.318 1.00 0.00 C ATOM 408 OG SER A 29 -8.745 -9.998 2.452 1.00 0.00 O ATOM 0 H SER A 29 -9.112 -10.975 -1.154 1.00 0.00 H new ATOM 0 HA SER A 29 -10.886 -10.303 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.176 -8.959 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.531 -8.276 1.646 1.00 0.00 H new ATOM 0 HG SER A 29 -8.709 -9.425 3.247 1.00 0.00 H new ATOM 414 N VAL A 30 -9.685 -8.113 -1.178 1.00 0.00 N ATOM 415 CA VAL A 30 -10.032 -7.080 -2.104 1.00 0.00 C ATOM 416 C VAL A 30 -10.283 -7.687 -3.442 1.00 0.00 C ATOM 417 O VAL A 30 -11.383 -7.622 -3.991 1.00 0.00 O ATOM 418 CB VAL A 30 -8.954 -6.043 -2.200 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.452 -4.782 -2.925 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.473 -5.671 -0.787 1.00 0.00 C ATOM 0 H VAL A 30 -8.692 -8.118 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.934 -6.583 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.129 -6.461 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.646 -4.050 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.770 -5.044 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.293 -4.356 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.689 -4.917 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.309 -5.274 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.080 -6.558 -0.291 1.00 0.00 H new ATOM 430 N ARG A 31 -9.250 -8.362 -3.976 1.00 0.00 N ATOM 431 CA ARG A 31 -9.331 -9.174 -5.151 1.00 0.00 C ATOM 432 C ARG A 31 -8.422 -10.338 -4.948 1.00 0.00 C ATOM 433 O ARG A 31 -8.566 -11.054 -3.958 1.00 0.00 O ATOM 434 CB ARG A 31 -9.125 -8.353 -6.435 1.00 0.00 C ATOM 435 CG ARG A 31 -7.993 -7.325 -6.398 1.00 0.00 C ATOM 436 CD ARG A 31 -7.976 -6.461 -7.659 1.00 0.00 C ATOM 437 NE ARG A 31 -7.166 -5.246 -7.363 1.00 0.00 N ATOM 438 CZ ARG A 31 -7.544 -4.000 -7.775 1.00 0.00 C ATOM 439 NH1 ARG A 31 -8.441 -3.777 -8.779 1.00 0.00 N ATOM 440 NH2 ARG A 31 -7.026 -2.908 -7.142 1.00 0.00 N ATOM 0 H ARG A 31 -8.315 -8.341 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.333 -9.575 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.936 -9.043 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.055 -7.832 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.108 -6.688 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.037 -7.839 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.547 -7.013 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.990 -6.184 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.300 -5.348 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.868 -4.565 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.684 -2.822 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.367 -3.029 -6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.298 -1.970 -7.438 1.00 0.00 H new ATOM 454 N HIS A 32 -7.436 -10.595 -5.825 1.00 0.00 N ATOM 455 CA HIS A 32 -6.442 -11.602 -5.615 1.00 0.00 C ATOM 456 C HIS A 32 -5.315 -11.068 -4.801 1.00 0.00 C ATOM 457 O HIS A 32 -4.178 -10.912 -5.244 1.00 0.00 O ATOM 458 CB HIS A 32 -5.958 -12.239 -6.928 1.00 0.00 C ATOM 459 CG HIS A 32 -5.663 -11.291 -8.053 1.00 0.00 C ATOM 460 ND1 HIS A 32 -4.368 -10.886 -8.311 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.507 -10.815 -9.007 1.00 0.00 C ATOM 462 CE1 HIS A 32 -4.446 -10.157 -9.409 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.721 -10.086 -9.875 1.00 0.00 N ATOM 0 H HIS A 32 -7.326 -10.089 -6.704 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.910 -12.408 -5.050 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.056 -12.814 -6.718 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.715 -12.947 -7.265 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.573 -10.975 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.601 -9.676 -9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.036 -9.589 -10.708 1.00 0.00 H new ATOM 471 N GLY A 33 -5.634 -10.730 -3.539 1.00 0.00 N ATOM 472 CA GLY A 33 -4.817 -9.941 -2.669 1.00 0.00 C ATOM 473 C GLY A 33 -5.447 -8.595 -2.561 1.00 0.00 C ATOM 474 O GLY A 33 -6.648 -8.482 -2.320 1.00 0.00 O ATOM 0 H GLY A 33 -6.508 -11.023 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.740 -10.408 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.804 -9.860 -3.063 1.00 0.00 H new ATOM 478 N GLY A 34 -4.644 -7.539 -2.780 1.00 0.00 N ATOM 479 CA GLY A 34 -5.019 -6.164 -2.645 1.00 0.00 C ATOM 480 C GLY A 34 -4.877 -5.678 -1.244 1.00 0.00 C ATOM 481 O GLY A 34 -5.340 -6.314 -0.298 1.00 0.00 O ATOM 0 H GLY A 34 -3.672 -7.652 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.401 -5.554 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.052 -6.037 -2.969 1.00 0.00 H new ATOM 485 N ILE A 35 -4.257 -4.499 -1.061 1.00 0.00 N ATOM 486 CA ILE A 35 -3.920 -3.958 0.219 1.00 0.00 C ATOM 487 C ILE A 35 -4.523 -2.596 0.268 1.00 0.00 C ATOM 488 O ILE A 35 -4.509 -1.869 -0.724 1.00 0.00 O ATOM 489 CB ILE A 35 -2.434 -3.874 0.401 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.717 -5.212 0.150 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.077 -3.330 1.796 1.00 0.00 C ATOM 492 CD1 ILE A 35 -2.085 -6.339 1.114 1.00 0.00 C ATOM 0 H ILE A 35 -3.979 -3.898 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.298 -4.596 1.018 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.077 -3.177 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.937 -5.539 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.641 -5.045 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.993 -3.280 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.500 -2.333 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.485 -3.992 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.527 -7.238 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.838 -6.041 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.154 -6.543 1.045 1.00 0.00 H new ATOM 504 N TYR A 36 -5.143 -2.207 1.396 1.00 0.00 N ATOM 505 CA TYR A 36 -6.045 -1.100 1.470 1.00 0.00 C ATOM 506 C TYR A 36 -5.629 -0.129 2.520 1.00 0.00 C ATOM 507 O TYR A 36 -5.372 -0.499 3.665 1.00 0.00 O ATOM 508 CB TYR A 36 -7.441 -1.649 1.810 1.00 0.00 C ATOM 509 CG TYR A 36 -8.504 -1.134 0.902 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.068 0.102 1.114 1.00 0.00 C ATOM 511 CD2 TYR A 36 -8.979 -1.923 -0.119 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.103 0.539 0.322 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.011 -1.491 -0.919 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.573 -0.256 -0.697 1.00 0.00 C ATOM 515 OH TYR A 36 -11.648 0.183 -1.499 1.00 0.00 O ATOM 0 H TYR A 36 -5.011 -2.681 2.290 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.048 -0.576 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.421 -2.737 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.689 -1.385 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.696 0.733 1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.537 -2.893 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.547 1.507 0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.378 -2.119 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.637 1.161 -1.554 1.00 0.00 H new ATOM 525 N VAL A 37 -5.551 1.172 2.188 1.00 0.00 N ATOM 526 CA VAL A 37 -5.216 2.200 3.125 1.00 0.00 C ATOM 527 C VAL A 37 -6.353 2.534 4.028 1.00 0.00 C ATOM 528 O VAL A 37 -7.501 2.695 3.619 1.00 0.00 O ATOM 529 CB VAL A 37 -4.707 3.441 2.454 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.502 4.622 3.417 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.344 3.108 1.823 1.00 0.00 C ATOM 0 H VAL A 37 -5.725 1.518 1.245 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.409 1.792 3.734 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.456 3.745 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.133 5.484 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.451 4.874 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.777 4.346 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.947 3.993 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.651 2.788 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.467 2.307 1.094 1.00 0.00 H new ATOM 541 N LYS A 38 -6.044 2.675 5.330 1.00 0.00 N ATOM 542 CA LYS A 38 -6.970 2.976 6.377 1.00 0.00 C ATOM 543 C LYS A 38 -7.132 4.448 6.541 1.00 0.00 C ATOM 544 O LYS A 38 -8.219 4.995 6.365 1.00 0.00 O ATOM 545 CB LYS A 38 -6.450 2.354 7.683 1.00 0.00 C ATOM 546 CG LYS A 38 -7.470 2.303 8.822 1.00 0.00 C ATOM 547 CD LYS A 38 -6.798 1.731 10.072 1.00 0.00 C ATOM 548 CE LYS A 38 -7.741 1.083 11.086 1.00 0.00 C ATOM 549 NZ LYS A 38 -6.940 0.563 12.216 1.00 0.00 N ATOM 0 H LYS A 38 -5.088 2.572 5.671 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.946 2.561 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.108 1.340 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.581 2.921 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.855 3.302 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.321 1.685 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.062 0.990 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.253 2.533 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.469 1.811 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.302 0.274 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.571 0.119 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.261 -0.142 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.424 1.346 12.665 1.00 0.00 H new ATOM 563 N ALA A 39 -6.034 5.150 6.876 1.00 0.00 N ATOM 564 CA ALA A 39 -6.032 6.565 7.078 1.00 0.00 C ATOM 565 C ALA A 39 -4.630 7.054 6.951 1.00 0.00 C ATOM 566 O ALA A 39 -3.677 6.278 7.019 1.00 0.00 O ATOM 567 CB ALA A 39 -6.590 6.925 8.465 1.00 0.00 C ATOM 0 H ALA A 39 -5.119 4.719 7.010 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.670 7.038 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.577 8.007 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.614 6.562 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.975 6.461 9.236 1.00 0.00 H new ATOM 573 N VAL A 40 -4.442 8.369 6.751 1.00 0.00 N ATOM 574 CA VAL A 40 -3.150 8.981 6.729 1.00 0.00 C ATOM 575 C VAL A 40 -2.753 9.442 8.088 1.00 0.00 C ATOM 576 O VAL A 40 -3.535 10.028 8.836 1.00 0.00 O ATOM 577 CB VAL A 40 -3.020 10.034 5.669 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.767 11.337 6.001 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.539 10.339 5.385 1.00 0.00 C ATOM 0 H VAL A 40 -5.208 9.025 6.600 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.429 8.216 6.439 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.491 9.620 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.629 12.052 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.830 11.127 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.373 11.757 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.467 11.105 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.060 10.696 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.040 9.432 5.044 1.00 0.00 H new ATOM 589 N ILE A 41 -1.503 9.157 8.497 1.00 0.00 N ATOM 590 CA ILE A 41 -0.915 9.681 9.691 1.00 0.00 C ATOM 591 C ILE A 41 -0.365 11.027 9.366 1.00 0.00 C ATOM 592 O ILE A 41 0.281 11.122 8.324 1.00 0.00 O ATOM 593 CB ILE A 41 0.176 8.799 10.222 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.199 7.310 10.284 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.606 9.285 11.618 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.400 6.972 11.166 1.00 0.00 C ATOM 0 H ILE A 41 -0.879 8.539 7.977 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.677 9.738 10.468 1.00 0.00 H new ATOM 0 HB ILE A 41 1.001 8.877 9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.404 6.962 9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.664 6.750 10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.399 8.641 11.999 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.972 10.309 11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.248 9.249 12.295 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.580 5.897 11.140 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.197 7.281 12.191 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.282 7.496 10.797 1.00 0.00 H new ATOM 608 N PRO A 42 -0.508 12.100 10.087 1.00 0.00 N ATOM 609 CA PRO A 42 0.212 13.311 9.822 1.00 0.00 C ATOM 610 C PRO A 42 1.645 13.220 10.222 1.00 0.00 C ATOM 611 O PRO A 42 2.042 13.744 11.261 1.00 0.00 O ATOM 612 CB PRO A 42 -0.557 14.367 10.612 1.00 0.00 C ATOM 613 CG PRO A 42 -1.163 13.598 11.796 1.00 0.00 C ATOM 614 CD PRO A 42 -1.489 12.241 11.153 1.00 0.00 C ATOM 0 HA PRO A 42 0.261 13.546 8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.102 15.165 10.953 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.332 14.832 10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.460 13.500 12.623 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.053 14.089 12.190 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.409 11.429 11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.506 12.221 10.762 1.00 0.00 H new ATOM 622 N GLN A 43 2.484 12.540 9.420 1.00 0.00 N ATOM 623 CA GLN A 43 3.812 12.178 9.807 1.00 0.00 C ATOM 624 C GLN A 43 4.812 12.298 8.710 1.00 0.00 C ATOM 625 O GLN A 43 5.936 12.749 8.925 1.00 0.00 O ATOM 626 CB GLN A 43 3.821 10.720 10.295 1.00 0.00 C ATOM 627 CG GLN A 43 5.034 10.319 11.138 1.00 0.00 C ATOM 628 CD GLN A 43 4.859 10.707 12.599 1.00 0.00 C ATOM 629 OE1 GLN A 43 4.383 9.904 13.400 1.00 0.00 O ATOM 630 NE2 GLN A 43 5.253 11.949 12.990 1.00 0.00 N ATOM 0 H GLN A 43 2.233 12.234 8.480 1.00 0.00 H new ATOM 0 HA GLN A 43 4.098 12.878 10.592 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.919 10.545 10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.770 10.063 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.189 9.243 11.064 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.928 10.798 10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.645 12.598 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.156 12.231 13.965 1.00 0.00 H new ATOM 639 N GLY A 44 4.467 11.897 7.474 1.00 0.00 N ATOM 640 CA GLY A 44 5.431 11.733 6.430 1.00 0.00 C ATOM 641 C GLY A 44 4.905 12.169 5.106 1.00 0.00 C ATOM 642 O GLY A 44 4.169 13.149 4.996 1.00 0.00 O ATOM 0 H GLY A 44 3.509 11.684 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.326 12.307 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.729 10.686 6.374 1.00 0.00 H new ATOM 646 N ALA A 45 5.314 11.451 4.044 1.00 0.00 N ATOM 647 CA ALA A 45 5.248 11.838 2.669 1.00 0.00 C ATOM 648 C ALA A 45 3.869 12.042 2.144 1.00 0.00 C ATOM 649 O ALA A 45 3.601 12.978 1.393 1.00 0.00 O ATOM 650 CB ALA A 45 5.933 10.740 1.838 1.00 0.00 C ATOM 0 H ALA A 45 5.724 10.524 4.159 1.00 0.00 H new ATOM 0 HA ALA A 45 5.744 12.806 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.898 11.008 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.972 10.640 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.415 9.793 1.989 1.00 0.00 H new ATOM 656 N ALA A 46 2.938 11.162 2.553 1.00 0.00 N ATOM 657 CA ALA A 46 1.569 11.135 2.140 1.00 0.00 C ATOM 658 C ALA A 46 0.831 12.402 2.403 1.00 0.00 C ATOM 659 O ALA A 46 0.228 12.961 1.488 1.00 0.00 O ATOM 660 CB ALA A 46 0.875 9.933 2.804 1.00 0.00 C ATOM 0 H ALA A 46 3.157 10.420 3.217 1.00 0.00 H new ATOM 0 HA ALA A 46 1.556 11.028 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.170 9.901 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.371 9.012 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.932 10.033 3.888 1.00 0.00 H new ATOM 666 N GLU A 47 0.901 12.920 3.642 1.00 0.00 N ATOM 667 CA GLU A 47 0.361 14.185 4.036 1.00 0.00 C ATOM 668 C GLU A 47 1.212 15.329 3.604 1.00 0.00 C ATOM 669 O GLU A 47 0.707 16.378 3.209 1.00 0.00 O ATOM 670 CB GLU A 47 0.180 14.202 5.562 1.00 0.00 C ATOM 671 CG GLU A 47 -0.426 15.460 6.188 1.00 0.00 C ATOM 672 CD GLU A 47 -1.925 15.636 5.995 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.384 16.021 4.887 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.670 15.444 6.994 1.00 0.00 O ATOM 0 H GLU A 47 1.359 12.430 4.410 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.602 14.307 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.448 13.354 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.156 14.036 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.215 15.450 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.080 16.331 5.772 1.00 0.00 H new ATOM 681 N SER A 48 2.551 15.199 3.638 1.00 0.00 N ATOM 682 CA SER A 48 3.470 16.253 3.338 1.00 0.00 C ATOM 683 C SER A 48 3.377 16.765 1.942 1.00 0.00 C ATOM 684 O SER A 48 3.294 17.972 1.720 1.00 0.00 O ATOM 685 CB SER A 48 4.933 15.882 3.628 1.00 0.00 C ATOM 686 OG SER A 48 5.785 17.015 3.708 1.00 0.00 O ATOM 0 H SER A 48 3.012 14.323 3.885 1.00 0.00 H new ATOM 0 HA SER A 48 3.160 17.050 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.983 15.329 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.296 15.216 2.845 1.00 0.00 H new ATOM 0 HG SER A 48 6.701 16.723 3.895 1.00 0.00 H new ATOM 692 N ASP A 49 3.353 15.875 0.933 1.00 0.00 N ATOM 693 CA ASP A 49 3.083 16.259 -0.418 1.00 0.00 C ATOM 694 C ASP A 49 1.615 16.401 -0.639 1.00 0.00 C ATOM 695 O ASP A 49 1.157 17.389 -1.209 1.00 0.00 O ATOM 696 CB ASP A 49 3.721 15.249 -1.386 1.00 0.00 C ATOM 697 CG ASP A 49 3.846 15.819 -2.792 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.600 16.813 -2.970 1.00 0.00 O ATOM 699 OD2 ASP A 49 3.216 15.271 -3.734 1.00 0.00 O ATOM 0 H ASP A 49 3.523 14.877 1.056 1.00 0.00 H new ATOM 0 HA ASP A 49 3.530 17.234 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.708 14.966 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.119 14.341 -1.414 1.00 0.00 H new ATOM 704 N GLY A 50 0.815 15.418 -0.188 1.00 0.00 N ATOM 705 CA GLY A 50 -0.606 15.397 -0.349 1.00 0.00 C ATOM 706 C GLY A 50 -0.970 14.630 -1.574 1.00 0.00 C ATOM 707 O GLY A 50 -1.331 15.221 -2.591 1.00 0.00 O ATOM 0 H GLY A 50 1.174 14.603 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.072 14.944 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.987 16.416 -0.421 1.00 0.00 H new ATOM 711 N ARG A 51 -0.843 13.291 -1.537 1.00 0.00 N ATOM 712 CA ARG A 51 -0.854 12.501 -2.729 1.00 0.00 C ATOM 713 C ARG A 51 -1.612 11.222 -2.616 1.00 0.00 C ATOM 714 O ARG A 51 -2.338 10.844 -3.535 1.00 0.00 O ATOM 715 CB ARG A 51 0.592 12.268 -3.198 1.00 0.00 C ATOM 716 CG ARG A 51 0.789 12.364 -4.713 1.00 0.00 C ATOM 717 CD ARG A 51 2.256 12.320 -5.144 1.00 0.00 C ATOM 718 NE ARG A 51 2.347 12.627 -6.599 1.00 0.00 N ATOM 719 CZ ARG A 51 2.400 13.879 -7.139 1.00 0.00 C ATOM 720 NH1 ARG A 51 2.498 15.007 -6.377 1.00 0.00 N ATOM 721 NH2 ARG A 51 2.360 14.019 -8.497 1.00 0.00 N ATOM 0 H ARG A 51 -0.732 12.754 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.401 13.070 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.240 12.997 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.915 11.282 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.253 11.545 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.341 13.291 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.838 13.041 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.678 11.336 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 51 2.372 11.837 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.535 14.934 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.535 15.923 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.291 13.194 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.399 14.949 -8.915 1.00 0.00 H new ATOM 735 N ILE A 52 -1.500 10.488 -1.495 1.00 0.00 N ATOM 736 CA ILE A 52 -2.102 9.207 -1.287 1.00 0.00 C ATOM 737 C ILE A 52 -2.846 9.330 -0.002 1.00 0.00 C ATOM 738 O ILE A 52 -2.312 9.887 0.956 1.00 0.00 O ATOM 739 CB ILE A 52 -1.103 8.096 -1.147 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.153 8.023 -2.353 1.00 0.00 C ATOM 741 CG2 ILE A 52 -1.830 6.753 -0.961 1.00 0.00 C ATOM 742 CD1 ILE A 52 1.014 7.059 -2.145 1.00 0.00 C ATOM 0 H ILE A 52 -0.960 10.806 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.724 8.955 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.497 8.306 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.717 7.715 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.240 9.019 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.096 5.953 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.447 6.795 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.462 6.559 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.646 7.055 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.601 7.379 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.629 6.054 -1.969 1.00 0.00 H new ATOM 754 N HIS A 53 -4.102 8.854 0.081 1.00 0.00 N ATOM 755 CA HIS A 53 -4.879 9.004 1.272 1.00 0.00 C ATOM 756 C HIS A 53 -5.693 7.798 1.590 1.00 0.00 C ATOM 757 O HIS A 53 -5.435 6.694 1.113 1.00 0.00 O ATOM 758 CB HIS A 53 -5.743 10.274 1.206 1.00 0.00 C ATOM 759 CG HIS A 53 -6.856 10.280 0.200 1.00 0.00 C ATOM 760 ND1 HIS A 53 -7.605 11.429 0.043 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.300 9.307 -0.640 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.476 11.145 -0.906 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.340 9.867 -1.352 1.00 0.00 N ATOM 0 H HIS A 53 -4.579 8.365 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.175 9.114 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.175 10.443 2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.089 11.120 0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.917 8.301 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.209 11.843 -1.283 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.899 9.411 -2.073 1.00 0.00 H new ATOM 771 N LYS A 54 -6.730 7.959 2.431 1.00 0.00 N ATOM 772 CA LYS A 54 -7.653 6.947 2.840 1.00 0.00 C ATOM 773 C LYS A 54 -8.331 6.243 1.715 1.00 0.00 C ATOM 774 O LYS A 54 -8.829 6.857 0.772 1.00 0.00 O ATOM 775 CB LYS A 54 -8.679 7.582 3.792 1.00 0.00 C ATOM 776 CG LYS A 54 -9.970 6.805 4.058 1.00 0.00 C ATOM 777 CD LYS A 54 -10.870 7.527 5.063 1.00 0.00 C ATOM 778 CE LYS A 54 -12.342 7.116 5.017 1.00 0.00 C ATOM 779 NZ LYS A 54 -12.502 5.659 5.219 1.00 0.00 N ATOM 0 H LYS A 54 -6.937 8.863 2.855 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.081 6.169 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.187 7.756 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.950 8.559 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.510 6.665 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.726 5.812 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.488 7.345 6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.801 8.600 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.896 7.654 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.771 7.401 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.514 5.422 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.051 5.148 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.054 5.382 6.116 1.00 0.00 H new ATOM 793 N GLY A 55 -8.387 4.901 1.788 1.00 0.00 N ATOM 794 CA GLY A 55 -9.006 4.051 0.818 1.00 0.00 C ATOM 795 C GLY A 55 -8.270 3.785 -0.450 1.00 0.00 C ATOM 796 O GLY A 55 -8.742 2.989 -1.261 1.00 0.00 O ATOM 0 H GLY A 55 -7.979 4.382 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.207 3.092 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.971 4.487 0.559 1.00 0.00 H new ATOM 800 N ASP A 56 -7.081 4.371 -0.674 1.00 0.00 N ATOM 801 CA ASP A 56 -6.320 4.106 -1.855 1.00 0.00 C ATOM 802 C ASP A 56 -5.649 2.776 -1.808 1.00 0.00 C ATOM 803 O ASP A 56 -5.309 2.231 -0.759 1.00 0.00 O ATOM 804 CB ASP A 56 -5.269 5.195 -2.129 1.00 0.00 C ATOM 805 CG ASP A 56 -5.898 6.533 -2.493 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.081 6.576 -2.923 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.178 7.560 -2.368 1.00 0.00 O ATOM 0 H ASP A 56 -6.644 5.033 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.042 4.105 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.641 5.320 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.617 4.871 -2.940 1.00 0.00 H new ATOM 812 N ARG A 57 -5.433 2.176 -2.992 1.00 0.00 N ATOM 813 CA ARG A 57 -5.088 0.798 -3.157 1.00 0.00 C ATOM 814 C ARG A 57 -3.815 0.685 -3.924 1.00 0.00 C ATOM 815 O ARG A 57 -3.629 1.396 -4.910 1.00 0.00 O ATOM 816 CB ARG A 57 -6.177 0.150 -4.027 1.00 0.00 C ATOM 817 CG ARG A 57 -7.602 0.236 -3.476 1.00 0.00 C ATOM 818 CD ARG A 57 -8.595 -0.070 -4.599 1.00 0.00 C ATOM 819 NE ARG A 57 -9.952 -0.267 -4.015 1.00 0.00 N ATOM 820 CZ ARG A 57 -10.930 -0.915 -4.713 1.00 0.00 C ATOM 821 NH1 ARG A 57 -10.772 -1.296 -6.014 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.099 -1.239 -4.089 1.00 0.00 N ATOM 0 H ARG A 57 -5.502 2.677 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.991 0.326 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.158 0.619 -5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.925 -0.901 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.731 -0.472 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.788 1.230 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.611 0.748 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.286 -0.964 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.153 0.088 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.898 -1.098 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.528 -1.778 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.237 -0.997 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.835 -1.723 -4.604 1.00 0.00 H new ATOM 836 N VAL A 58 -2.883 -0.218 -3.568 1.00 0.00 N ATOM 837 CA VAL A 58 -1.720 -0.456 -4.365 1.00 0.00 C ATOM 838 C VAL A 58 -1.943 -1.536 -5.367 1.00 0.00 C ATOM 839 O VAL A 58 -2.763 -2.435 -5.186 1.00 0.00 O ATOM 840 CB VAL A 58 -0.489 -0.781 -3.573 1.00 0.00 C ATOM 841 CG1 VAL A 58 -0.073 0.444 -2.741 1.00 0.00 C ATOM 842 CG2 VAL A 58 -0.705 -2.001 -2.662 1.00 0.00 C ATOM 0 H VAL A 58 -2.936 -0.786 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.546 0.494 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 58 0.309 -1.035 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.822 0.206 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.135 1.282 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.881 0.713 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.209 -2.205 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.517 -1.795 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.960 -2.869 -3.270 1.00 0.00 H new ATOM 852 N LEU A 59 -1.167 -1.508 -6.465 1.00 0.00 N ATOM 853 CA LEU A 59 -1.197 -2.500 -7.494 1.00 0.00 C ATOM 854 C LEU A 59 0.152 -3.128 -7.571 1.00 0.00 C ATOM 855 O LEU A 59 0.378 -4.148 -6.922 1.00 0.00 O ATOM 856 CB LEU A 59 -1.590 -1.919 -8.864 1.00 0.00 C ATOM 857 CG LEU A 59 -3.056 -1.464 -8.968 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.273 -0.712 -10.293 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.041 -2.642 -8.874 1.00 0.00 C ATOM 0 H LEU A 59 -0.492 -0.764 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.959 -3.238 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.943 -1.070 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.401 -2.670 -9.631 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.254 -0.804 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.312 -0.391 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.621 0.161 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.040 -1.372 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.062 -2.269 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.847 -3.344 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.912 -3.149 -7.917 1.00 0.00 H new ATOM 871 N ALA A 60 1.088 -2.578 -8.365 1.00 0.00 N ATOM 872 CA ALA A 60 2.439 -3.034 -8.466 1.00 0.00 C ATOM 873 C ALA A 60 3.352 -2.163 -7.674 1.00 0.00 C ATOM 874 O ALA A 60 3.144 -0.952 -7.607 1.00 0.00 O ATOM 875 CB ALA A 60 2.890 -3.055 -9.936 1.00 0.00 C ATOM 0 H ALA A 60 0.893 -1.777 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 60 2.483 -4.046 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.921 -3.404 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.246 -3.726 -10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.823 -2.049 -10.351 1.00 0.00 H new ATOM 881 N VAL A 61 4.408 -2.733 -7.064 1.00 0.00 N ATOM 882 CA VAL A 61 5.447 -2.008 -6.401 1.00 0.00 C ATOM 883 C VAL A 61 6.671 -1.950 -7.248 1.00 0.00 C ATOM 884 O VAL A 61 7.503 -2.855 -7.287 1.00 0.00 O ATOM 885 CB VAL A 61 5.691 -2.467 -4.995 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.173 -3.922 -4.873 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.667 -1.518 -4.279 1.00 0.00 C ATOM 0 H VAL A 61 4.543 -3.744 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 61 5.105 -0.981 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 61 4.717 -2.438 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.324 -4.168 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.424 -4.590 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.113 -4.040 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.832 -1.867 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.616 -1.500 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.245 -0.513 -4.255 1.00 0.00 H new ATOM 897 N ASN A 62 6.801 -0.885 -8.060 1.00 0.00 N ATOM 898 CA ASN A 62 7.919 -0.609 -8.908 1.00 0.00 C ATOM 899 C ASN A 62 8.190 -1.694 -9.892 1.00 0.00 C ATOM 900 O ASN A 62 9.274 -2.273 -9.954 1.00 0.00 O ATOM 901 CB ASN A 62 9.148 -0.124 -8.120 1.00 0.00 C ATOM 902 CG ASN A 62 10.262 0.421 -9.002 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.362 -0.119 -9.113 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.962 1.565 -9.674 1.00 0.00 N ATOM 0 H ASN A 62 6.077 -0.170 -8.128 1.00 0.00 H new ATOM 0 HA ASN A 62 7.640 0.241 -9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.837 0.652 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.538 -0.951 -7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.656 1.994 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.043 1.994 -9.566 1.00 0.00 H new ATOM 911 N GLY A 63 7.175 -2.052 -10.698 1.00 0.00 N ATOM 912 CA GLY A 63 7.271 -3.059 -11.709 1.00 0.00 C ATOM 913 C GLY A 63 7.021 -4.451 -11.242 1.00 0.00 C ATOM 914 O GLY A 63 6.908 -5.360 -12.063 1.00 0.00 O ATOM 0 H GLY A 63 6.251 -1.623 -10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.560 -2.825 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.266 -3.014 -12.151 1.00 0.00 H new ATOM 918 N VAL A 64 6.992 -4.690 -9.918 1.00 0.00 N ATOM 919 CA VAL A 64 6.805 -5.981 -9.333 1.00 0.00 C ATOM 920 C VAL A 64 5.409 -6.111 -8.829 1.00 0.00 C ATOM 921 O VAL A 64 4.917 -5.278 -8.069 1.00 0.00 O ATOM 922 CB VAL A 64 7.787 -6.236 -8.228 1.00 0.00 C ATOM 923 CG1 VAL A 64 7.572 -7.620 -7.592 1.00 0.00 C ATOM 924 CG2 VAL A 64 9.210 -6.153 -8.804 1.00 0.00 C ATOM 0 H VAL A 64 7.104 -3.950 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 64 6.981 -6.730 -10.105 1.00 0.00 H new ATOM 0 HB VAL A 64 7.641 -5.485 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.300 -7.771 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.565 -7.678 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.698 -8.393 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.935 -6.337 -8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.330 -6.903 -9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.375 -5.161 -9.224 1.00 0.00 H new ATOM 934 N SER A 65 4.682 -7.156 -9.260 1.00 0.00 N ATOM 935 CA SER A 65 3.334 -7.401 -8.848 1.00 0.00 C ATOM 936 C SER A 65 3.200 -7.990 -7.486 1.00 0.00 C ATOM 937 O SER A 65 4.114 -8.604 -6.938 1.00 0.00 O ATOM 938 CB SER A 65 2.590 -8.289 -9.858 1.00 0.00 C ATOM 939 OG SER A 65 3.233 -9.544 -10.020 1.00 0.00 O ATOM 0 H SER A 65 5.041 -7.851 -9.914 1.00 0.00 H new ATOM 0 HA SER A 65 2.879 -6.411 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.565 -8.445 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.535 -7.780 -10.820 1.00 0.00 H new ATOM 0 HG SER A 65 2.602 -10.187 -10.406 1.00 0.00 H new ATOM 945 N LEU A 66 2.009 -7.839 -6.882 1.00 0.00 N ATOM 946 CA LEU A 66 1.657 -8.391 -5.610 1.00 0.00 C ATOM 947 C LEU A 66 0.530 -9.348 -5.791 1.00 0.00 C ATOM 948 O LEU A 66 -0.370 -9.464 -4.959 1.00 0.00 O ATOM 949 CB LEU A 66 1.243 -7.303 -4.604 1.00 0.00 C ATOM 950 CG LEU A 66 2.357 -6.463 -3.957 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.467 -7.313 -3.316 1.00 0.00 C ATOM 952 CD2 LEU A 66 2.948 -5.393 -4.890 1.00 0.00 C ATOM 0 H LEU A 66 1.250 -7.303 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 66 2.534 -8.898 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.560 -6.621 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.679 -7.783 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 66 1.853 -5.931 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.220 -6.658 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.038 -7.944 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.930 -7.941 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.727 -4.842 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.375 -5.874 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.161 -4.704 -5.198 1.00 0.00 H new ATOM 964 N GLU A 67 0.519 -10.102 -6.905 1.00 0.00 N ATOM 965 CA GLU A 67 -0.505 -11.034 -7.260 1.00 0.00 C ATOM 966 C GLU A 67 -0.563 -12.222 -6.362 1.00 0.00 C ATOM 967 O GLU A 67 0.375 -13.013 -6.261 1.00 0.00 O ATOM 968 CB GLU A 67 -0.368 -11.429 -8.740 1.00 0.00 C ATOM 969 CG GLU A 67 1.004 -11.969 -9.144 1.00 0.00 C ATOM 970 CD GLU A 67 1.137 -12.169 -10.648 1.00 0.00 C ATOM 971 OE1 GLU A 67 0.699 -13.236 -11.155 1.00 0.00 O ATOM 972 OE2 GLU A 67 1.711 -11.285 -11.339 1.00 0.00 O ATOM 0 H GLU A 67 1.268 -10.058 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.462 -10.532 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.120 -12.184 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.593 -10.558 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.776 -11.279 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.180 -12.919 -8.638 1.00 0.00 H new ATOM 979 N GLY A 68 -1.669 -12.404 -5.619 1.00 0.00 N ATOM 980 CA GLY A 68 -1.848 -13.503 -4.720 1.00 0.00 C ATOM 981 C GLY A 68 -1.170 -13.364 -3.400 1.00 0.00 C ATOM 982 O GLY A 68 -1.019 -14.333 -2.658 1.00 0.00 O ATOM 0 H GLY A 68 -2.465 -11.766 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.916 -13.640 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.483 -14.409 -5.203 1.00 0.00 H new ATOM 986 N ALA A 69 -0.742 -12.143 -3.035 1.00 0.00 N ATOM 987 CA ALA A 69 -0.107 -11.877 -1.781 1.00 0.00 C ATOM 988 C ALA A 69 -1.067 -11.801 -0.644 1.00 0.00 C ATOM 989 O ALA A 69 -2.216 -11.386 -0.789 1.00 0.00 O ATOM 990 CB ALA A 69 0.681 -10.559 -1.869 1.00 0.00 C ATOM 0 H ALA A 69 -0.840 -11.318 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 69 0.561 -12.715 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.164 -10.359 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.439 -10.640 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.001 -9.743 -2.109 1.00 0.00 H new ATOM 996 N THR A 70 -0.620 -12.208 0.558 1.00 0.00 N ATOM 997 CA THR A 70 -1.247 -11.904 1.807 1.00 0.00 C ATOM 998 C THR A 70 -0.668 -10.635 2.333 1.00 0.00 C ATOM 999 O THR A 70 0.298 -10.090 1.804 1.00 0.00 O ATOM 1000 CB THR A 70 -1.055 -12.966 2.847 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.314 -13.302 3.017 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.794 -14.247 2.425 1.00 0.00 C ATOM 0 H THR A 70 0.220 -12.777 0.663 1.00 0.00 H new ATOM 0 HA THR A 70 -2.317 -11.826 1.613 1.00 0.00 H new ATOM 0 HB THR A 70 -1.447 -12.568 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.398 -13.996 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.651 -15.016 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.858 -14.035 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.397 -14.599 1.473 1.00 0.00 H new ATOM 1010 N HIS A 71 -1.215 -10.117 3.449 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.772 -8.917 4.084 1.00 0.00 C ATOM 1012 C HIS A 71 0.637 -8.956 4.569 1.00 0.00 C ATOM 1013 O HIS A 71 1.366 -7.974 4.436 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.747 -8.541 5.213 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.603 -7.160 5.781 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -1.707 -6.009 5.026 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.453 -6.741 7.065 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -1.591 -4.962 5.885 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.445 -5.363 7.134 1.00 0.00 N ATOM 0 H HIS A 71 -2.001 -10.556 3.928 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.774 -8.142 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.764 -8.653 4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.625 -9.259 6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.353 -7.398 7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.615 -3.926 5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.348 -4.782 7.967 1.00 0.00 H new ATOM 1027 N LYS A 72 1.125 -10.091 5.100 1.00 0.00 N ATOM 1028 CA LYS A 72 2.484 -10.266 5.506 1.00 0.00 C ATOM 1029 C LYS A 72 3.434 -10.230 4.358 1.00 0.00 C ATOM 1030 O LYS A 72 4.499 -9.615 4.406 1.00 0.00 O ATOM 1031 CB LYS A 72 2.631 -11.584 6.286 1.00 0.00 C ATOM 1032 CG LYS A 72 3.675 -11.618 7.406 1.00 0.00 C ATOM 1033 CD LYS A 72 5.146 -11.654 6.987 1.00 0.00 C ATOM 1034 CE LYS A 72 5.927 -10.349 7.156 1.00 0.00 C ATOM 1035 NZ LYS A 72 6.072 -9.964 8.577 1.00 0.00 N ATOM 0 H LYS A 72 0.550 -10.919 5.252 1.00 0.00 H new ATOM 0 HA LYS A 72 2.742 -9.427 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.662 -11.831 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.872 -12.373 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.524 -10.741 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.478 -12.493 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.648 -12.431 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.197 -11.951 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.915 -10.458 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.419 -9.551 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.745 -9.175 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.148 -9.670 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.425 -10.776 9.122 1.00 0.00 H new ATOM 1049 N GLN A 73 3.055 -10.862 3.233 1.00 0.00 N ATOM 1050 CA GLN A 73 3.846 -10.996 2.049 1.00 0.00 C ATOM 1051 C GLN A 73 4.001 -9.694 1.342 1.00 0.00 C ATOM 1052 O GLN A 73 5.073 -9.310 0.879 1.00 0.00 O ATOM 1053 CB GLN A 73 3.115 -12.006 1.147 1.00 0.00 C ATOM 1054 CG GLN A 73 3.912 -12.529 -0.048 1.00 0.00 C ATOM 1055 CD GLN A 73 4.800 -13.704 0.338 1.00 0.00 C ATOM 1056 OE1 GLN A 73 5.877 -13.564 0.914 1.00 0.00 O ATOM 1057 NE2 GLN A 73 4.340 -14.939 -0.003 1.00 0.00 N ATOM 0 H GLN A 73 2.141 -11.306 3.145 1.00 0.00 H new ATOM 0 HA GLN A 73 4.851 -11.335 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.811 -12.856 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.203 -11.539 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.225 -12.836 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.527 -11.726 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.444 -15.036 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.891 -15.768 0.219 1.00 0.00 H new ATOM 1066 N ALA A 74 2.902 -8.920 1.274 1.00 0.00 N ATOM 1067 CA ALA A 74 2.876 -7.604 0.715 1.00 0.00 C ATOM 1068 C ALA A 74 3.670 -6.600 1.477 1.00 0.00 C ATOM 1069 O ALA A 74 4.466 -5.875 0.880 1.00 0.00 O ATOM 1070 CB ALA A 74 1.416 -7.133 0.604 1.00 0.00 C ATOM 0 H ALA A 74 1.994 -9.225 1.624 1.00 0.00 H new ATOM 0 HA ALA A 74 3.346 -7.675 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.389 -6.130 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.861 -7.816 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.962 -7.119 1.595 1.00 0.00 H new ATOM 1076 N VAL A 75 3.524 -6.498 2.809 1.00 0.00 N ATOM 1077 CA VAL A 75 4.138 -5.452 3.566 1.00 0.00 C ATOM 1078 C VAL A 75 5.628 -5.436 3.560 1.00 0.00 C ATOM 1079 O VAL A 75 6.203 -4.353 3.476 1.00 0.00 O ATOM 1080 CB VAL A 75 3.634 -5.259 4.965 1.00 0.00 C ATOM 1081 CG1 VAL A 75 2.144 -4.880 4.903 1.00 0.00 C ATOM 1082 CG2 VAL A 75 3.934 -6.460 5.878 1.00 0.00 C ATOM 0 H VAL A 75 2.973 -7.149 3.368 1.00 0.00 H new ATOM 0 HA VAL A 75 3.798 -4.593 2.987 1.00 0.00 H new ATOM 0 HB VAL A 75 4.175 -4.438 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.763 -4.736 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.027 -3.956 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.585 -5.679 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.546 -6.263 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.458 -7.353 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.011 -6.616 5.931 1.00 0.00 H new ATOM 1092 N GLU A 76 6.324 -6.588 3.579 1.00 0.00 N ATOM 1093 CA GLU A 76 7.744 -6.641 3.425 1.00 0.00 C ATOM 1094 C GLU A 76 8.193 -6.170 2.084 1.00 0.00 C ATOM 1095 O GLU A 76 9.106 -5.357 1.949 1.00 0.00 O ATOM 1096 CB GLU A 76 8.271 -8.068 3.652 1.00 0.00 C ATOM 1097 CG GLU A 76 8.361 -8.448 5.131 1.00 0.00 C ATOM 1098 CD GLU A 76 9.490 -7.753 5.878 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.373 -7.105 5.256 1.00 0.00 O ATOM 1100 OE2 GLU A 76 9.517 -7.879 7.132 1.00 0.00 O ATOM 0 H GLU A 76 5.889 -7.502 3.704 1.00 0.00 H new ATOM 0 HA GLU A 76 8.153 -5.968 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.618 -8.775 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.258 -8.160 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.415 -8.207 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.495 -9.527 5.211 1.00 0.00 H new ATOM 1107 N THR A 77 7.507 -6.626 1.021 1.00 0.00 N ATOM 1108 CA THR A 77 7.750 -6.277 -0.345 1.00 0.00 C ATOM 1109 C THR A 77 7.602 -4.816 -0.592 1.00 0.00 C ATOM 1110 O THR A 77 8.370 -4.214 -1.343 1.00 0.00 O ATOM 1111 CB THR A 77 6.867 -7.068 -1.265 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.978 -8.458 -0.996 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.286 -6.906 -2.736 1.00 0.00 C ATOM 0 H THR A 77 6.732 -7.281 1.123 1.00 0.00 H new ATOM 0 HA THR A 77 8.788 -6.531 -0.558 1.00 0.00 H new ATOM 0 HB THR A 77 5.856 -6.695 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.300 -8.719 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.623 -7.494 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.222 -5.855 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.311 -7.254 -2.863 1.00 0.00 H new ATOM 1121 N LEU A 78 6.637 -4.176 0.092 1.00 0.00 N ATOM 1122 CA LEU A 78 6.386 -2.769 0.086 1.00 0.00 C ATOM 1123 C LEU A 78 7.265 -1.952 0.970 1.00 0.00 C ATOM 1124 O LEU A 78 7.614 -0.828 0.611 1.00 0.00 O ATOM 1125 CB LEU A 78 4.929 -2.521 0.512 1.00 0.00 C ATOM 1126 CG LEU A 78 3.931 -2.730 -0.640 1.00 0.00 C ATOM 1127 CD1 LEU A 78 2.531 -3.060 -0.097 1.00 0.00 C ATOM 1128 CD2 LEU A 78 3.889 -1.472 -1.524 1.00 0.00 C ATOM 0 H LEU A 78 5.985 -4.681 0.693 1.00 0.00 H new ATOM 0 HA LEU A 78 6.598 -2.448 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.676 -3.191 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.833 -1.503 0.890 1.00 0.00 H new ATOM 0 HG LEU A 78 4.262 -3.575 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.842 -3.204 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.577 -3.973 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.180 -2.238 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.181 -1.623 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.575 -0.617 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.881 -1.283 -1.935 1.00 0.00 H new ATOM 1140 N ARG A 79 7.657 -2.432 2.163 1.00 0.00 N ATOM 1141 CA ARG A 79 8.513 -1.739 3.076 1.00 0.00 C ATOM 1142 C ARG A 79 9.882 -1.509 2.533 1.00 0.00 C ATOM 1143 O ARG A 79 10.451 -0.431 2.695 1.00 0.00 O ATOM 1144 CB ARG A 79 8.704 -2.477 4.411 1.00 0.00 C ATOM 1145 CG ARG A 79 7.688 -2.112 5.495 1.00 0.00 C ATOM 1146 CD ARG A 79 8.142 -2.549 6.890 1.00 0.00 C ATOM 1147 NE ARG A 79 7.182 -1.984 7.880 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.506 -1.702 9.176 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.744 -1.964 9.688 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.571 -1.116 9.978 1.00 0.00 N ATOM 0 H ARG A 79 7.364 -3.346 2.508 1.00 0.00 H new ATOM 0 HA ARG A 79 7.994 -0.793 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.650 -3.550 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.706 -2.268 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.526 -1.034 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.731 -2.579 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.167 -3.636 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.152 -2.193 7.092 1.00 0.00 H new ATOM 0 HE ARG A 79 6.228 -1.797 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.462 -2.384 9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.951 -1.740 10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.647 -0.895 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.796 -0.898 10.949 1.00 0.00 H new ATOM 1164 N ASN A 80 10.480 -2.532 1.896 1.00 0.00 N ATOM 1165 CA ASN A 80 11.875 -2.551 1.584 1.00 0.00 C ATOM 1166 C ASN A 80 12.212 -1.859 0.308 1.00 0.00 C ATOM 1167 O ASN A 80 12.955 -2.354 -0.538 1.00 0.00 O ATOM 1168 CB ASN A 80 12.416 -3.991 1.612 1.00 0.00 C ATOM 1169 CG ASN A 80 12.156 -4.624 2.972 1.00 0.00 C ATOM 1170 OD1 ASN A 80 12.238 -3.982 4.018 1.00 0.00 O ATOM 1171 ND2 ASN A 80 11.830 -5.945 2.969 1.00 0.00 N ATOM 0 H ASN A 80 9.981 -3.367 1.590 1.00 0.00 H new ATOM 0 HA ASN A 80 12.375 -1.975 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.938 -4.582 0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.486 -3.990 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.647 -6.427 3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.769 -6.453 2.087 1.00 0.00 H new ATOM 1178 N THR A 81 11.702 -0.624 0.154 1.00 0.00 N ATOM 1179 CA THR A 81 11.877 0.256 -0.959 1.00 0.00 C ATOM 1180 C THR A 81 12.947 1.246 -0.649 1.00 0.00 C ATOM 1181 O THR A 81 14.081 1.112 -1.105 1.00 0.00 O ATOM 1182 CB THR A 81 10.602 0.941 -1.355 1.00 0.00 C ATOM 1183 OG1 THR A 81 9.901 1.492 -0.250 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.680 -0.120 -1.982 1.00 0.00 C ATOM 0 H THR A 81 11.114 -0.206 0.875 1.00 0.00 H new ATOM 0 HA THR A 81 12.179 -0.344 -1.817 1.00 0.00 H new ATOM 0 HB THR A 81 10.862 1.752 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.225 0.854 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.741 0.345 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.166 -0.553 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.479 -0.904 -1.252 1.00 0.00 H new ATOM 1192 N GLY A 82 12.642 2.262 0.178 1.00 0.00 N ATOM 1193 CA GLY A 82 13.590 3.151 0.772 1.00 0.00 C ATOM 1194 C GLY A 82 13.555 4.521 0.188 1.00 0.00 C ATOM 1195 O GLY A 82 12.650 5.306 0.463 1.00 0.00 O ATOM 0 H GLY A 82 11.681 2.474 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.398 3.214 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.591 2.737 0.652 1.00 0.00 H new ATOM 1199 N GLN A 83 14.582 4.856 -0.614 1.00 0.00 N ATOM 1200 CA GLN A 83 14.814 6.162 -1.149 1.00 0.00 C ATOM 1201 C GLN A 83 13.819 6.622 -2.156 1.00 0.00 C ATOM 1202 O GLN A 83 13.258 7.711 -2.038 1.00 0.00 O ATOM 1203 CB GLN A 83 16.230 6.238 -1.747 1.00 0.00 C ATOM 1204 CG GLN A 83 16.644 7.641 -2.192 1.00 0.00 C ATOM 1205 CD GLN A 83 18.073 7.669 -2.717 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.724 6.653 -2.954 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.595 8.910 -2.908 1.00 0.00 N ATOM 0 H GLN A 83 15.288 4.179 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 83 14.705 6.841 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.945 5.877 -1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.288 5.565 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.964 7.991 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.551 8.331 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.033 9.737 -2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.548 9.014 -3.256 1.00 0.00 H new ATOM 1216 N VAL A 84 13.579 5.826 -3.214 1.00 0.00 N ATOM 1217 CA VAL A 84 12.690 6.184 -4.276 1.00 0.00 C ATOM 1218 C VAL A 84 11.448 5.363 -4.211 1.00 0.00 C ATOM 1219 O VAL A 84 11.467 4.169 -3.921 1.00 0.00 O ATOM 1220 CB VAL A 84 13.313 6.100 -5.637 1.00 0.00 C ATOM 1221 CG1 VAL A 84 14.380 7.200 -5.772 1.00 0.00 C ATOM 1222 CG2 VAL A 84 13.927 4.714 -5.895 1.00 0.00 C ATOM 0 H VAL A 84 14.014 4.911 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 84 12.440 7.235 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 84 12.535 6.250 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.837 7.144 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.914 8.177 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.146 7.059 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.369 4.692 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.698 4.514 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.150 3.953 -5.826 1.00 0.00 H new ATOM 1232 N VAL A 85 10.297 6.015 -4.453 1.00 0.00 N ATOM 1233 CA VAL A 85 8.995 5.439 -4.318 1.00 0.00 C ATOM 1234 C VAL A 85 8.279 5.640 -5.609 1.00 0.00 C ATOM 1235 O VAL A 85 7.729 6.707 -5.877 1.00 0.00 O ATOM 1236 CB VAL A 85 8.244 6.077 -3.187 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.844 5.452 -3.054 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.018 5.892 -1.871 1.00 0.00 C ATOM 0 H VAL A 85 10.273 6.988 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 85 9.073 4.376 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 85 8.139 7.141 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.311 5.925 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.288 5.604 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.939 4.384 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.465 6.358 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.138 4.828 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.999 6.358 -1.958 1.00 0.00 H new ATOM 1248 N HIS A 86 8.296 4.644 -6.513 1.00 0.00 N ATOM 1249 CA HIS A 86 7.796 4.827 -7.841 1.00 0.00 C ATOM 1250 C HIS A 86 6.956 3.667 -8.252 1.00 0.00 C ATOM 1251 O HIS A 86 7.458 2.677 -8.783 1.00 0.00 O ATOM 1252 CB HIS A 86 8.931 5.113 -8.839 1.00 0.00 C ATOM 1253 CG HIS A 86 8.485 5.726 -10.134 1.00 0.00 C ATOM 1254 ND1 HIS A 86 9.437 6.268 -10.973 1.00 0.00 N ATOM 1255 CD2 HIS A 86 7.237 5.914 -10.640 1.00 0.00 C ATOM 1256 CE1 HIS A 86 8.752 6.787 -11.975 1.00 0.00 C ATOM 1257 NE2 HIS A 86 7.414 6.595 -11.828 1.00 0.00 N ATOM 0 H HIS A 86 8.657 3.709 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 86 7.155 5.709 -7.845 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.653 5.779 -8.367 1.00 0.00 H new ATOM 0 HB3 HIS A 86 9.451 4.180 -9.054 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.302 5.597 -10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.201 7.302 -12.811 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.682 6.896 -12.471 1.00 0.00 H new ATOM 1265 N LEU A 87 5.635 3.755 -8.018 1.00 0.00 N ATOM 1266 CA LEU A 87 4.749 2.633 -8.075 1.00 0.00 C ATOM 1267 C LEU A 87 3.394 2.972 -8.594 1.00 0.00 C ATOM 1268 O LEU A 87 3.085 4.126 -8.888 1.00 0.00 O ATOM 1269 CB LEU A 87 4.656 1.930 -6.710 1.00 0.00 C ATOM 1270 CG LEU A 87 3.753 2.547 -5.628 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.463 1.502 -4.538 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.342 3.827 -5.012 1.00 0.00 C ATOM 0 H LEU A 87 5.169 4.631 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 87 5.186 1.942 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.315 0.910 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.664 1.863 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 87 2.822 2.843 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.823 1.942 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.960 0.643 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.400 1.179 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.659 4.214 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.303 3.600 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.482 4.575 -5.792 1.00 0.00 H new ATOM 1284 N LEU A 88 2.524 1.957 -8.737 1.00 0.00 N ATOM 1285 CA LEU A 88 1.259 2.064 -9.395 1.00 0.00 C ATOM 1286 C LEU A 88 0.168 1.708 -8.443 1.00 0.00 C ATOM 1287 O LEU A 88 0.214 0.693 -7.750 1.00 0.00 O ATOM 1288 CB LEU A 88 1.198 1.126 -10.612 1.00 0.00 C ATOM 1289 CG LEU A 88 1.525 1.766 -11.971 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.383 2.674 -12.458 1.00 0.00 C ATOM 1291 CD2 LEU A 88 2.857 2.535 -12.011 1.00 0.00 C ATOM 0 H LEU A 88 2.710 1.021 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 88 1.133 3.091 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.890 0.301 -10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.197 0.697 -10.666 1.00 0.00 H new ATOM 0 HG LEU A 88 1.637 0.921 -12.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.650 3.109 -13.421 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.529 2.086 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.218 3.471 -11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.006 2.953 -13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.833 3.342 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.676 1.856 -11.776 1.00 0.00 H new ATOM 1303 N LEU A 89 -0.864 2.567 -8.374 1.00 0.00 N ATOM 1304 CA LEU A 89 -1.961 2.483 -7.461 1.00 0.00 C ATOM 1305 C LEU A 89 -3.255 2.509 -8.200 1.00 0.00 C ATOM 1306 O LEU A 89 -3.328 2.833 -9.384 1.00 0.00 O ATOM 1307 CB LEU A 89 -1.971 3.663 -6.475 1.00 0.00 C ATOM 1308 CG LEU A 89 -0.829 3.681 -5.443 1.00 0.00 C ATOM 1309 CD1 LEU A 89 0.422 4.402 -5.968 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.291 4.391 -4.159 1.00 0.00 C ATOM 0 H LEU A 89 -0.936 3.372 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.842 1.548 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.934 4.590 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.920 3.657 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.571 2.641 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.198 4.387 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.785 3.896 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.172 5.435 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.477 4.399 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.578 5.416 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.146 3.862 -3.738 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.357 2.176 -7.505 1.00 0.00 N ATOM 1323 CA GLU A 90 -5.699 2.316 -7.979 1.00 0.00 C ATOM 1324 C GLU A 90 -6.442 3.141 -6.986 1.00 0.00 C ATOM 1325 O GLU A 90 -6.205 3.054 -5.782 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.358 0.936 -8.142 1.00 0.00 C ATOM 1327 CG GLU A 90 -7.712 0.932 -8.857 1.00 0.00 C ATOM 1328 CD GLU A 90 -8.383 -0.425 -8.699 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.624 -0.828 -7.530 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -8.652 -1.138 -9.703 1.00 0.00 O ATOM 0 H GLU A 90 -4.309 1.789 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.711 2.799 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.675 0.289 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.488 0.496 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.352 1.713 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.574 1.157 -9.915 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.326 4.045 -7.446 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.048 4.938 -6.594 1.00 0.00 C ATOM 1339 C LYS A 91 -9.128 4.295 -5.794 1.00 0.00 C ATOM 1340 O LYS A 91 -9.790 3.355 -6.231 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.572 6.125 -7.421 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.769 7.410 -6.614 1.00 0.00 C ATOM 1343 CD LYS A 91 -9.017 8.637 -7.493 1.00 0.00 C ATOM 1344 CE LYS A 91 -9.078 9.938 -6.690 1.00 0.00 C ATOM 1345 NZ LYS A 91 -9.313 11.093 -7.585 1.00 0.00 N ATOM 0 H LYS A 91 -7.544 4.158 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.343 5.296 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.874 6.323 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.522 5.845 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.612 7.280 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.887 7.584 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.224 8.711 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.953 8.506 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.875 9.877 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.145 10.078 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.351 11.966 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.538 11.160 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.215 10.965 -8.087 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.346 4.770 -4.555 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.342 4.240 -3.677 1.00 0.00 C ATOM 1361 C GLY A 92 -11.735 4.637 -4.027 1.00 0.00 C ATOM 1362 O GLY A 92 -11.983 5.652 -4.675 1.00 0.00 O ATOM 0 H GLY A 92 -8.816 5.543 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.274 3.152 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.127 4.568 -2.660 1.00 0.00 H new ATOM 1560 N GLN B 11 -3.582 -9.084 11.012 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.718 -8.119 11.616 1.00 0.00 C ATOM 1562 C GLN B 11 -2.961 -6.790 10.989 1.00 0.00 C ATOM 1563 O GLN B 11 -3.680 -6.689 9.997 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.238 -8.523 11.503 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.339 -7.944 12.597 1.00 0.00 C ATOM 1566 CD GLN B 11 1.138 -8.261 12.413 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.957 -7.378 12.163 1.00 0.00 O ATOM 1568 NE2 GLN B 11 1.516 -9.556 12.582 1.00 0.00 N ATOM 0 HA GLN B 11 -2.944 -8.066 12.681 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.168 -9.610 11.530 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.860 -8.203 10.532 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.468 -6.862 12.625 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.665 -8.328 13.563 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.816 -10.269 12.789 1.00 0.00 H new ATOM 0 HE22 GLN B 11 2.499 -9.815 12.502 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.414 -5.690 11.540 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.422 -4.394 10.936 1.00 0.00 C ATOM 1579 C VAL B 12 -1.013 -3.932 10.797 1.00 0.00 C ATOM 1580 O VAL B 12 -0.130 -4.366 11.535 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.204 -3.363 11.696 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.708 -3.672 11.600 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -2.770 -3.292 13.170 1.00 0.00 C ATOM 0 H VAL B 12 -1.946 -5.706 12.446 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.919 -4.499 9.972 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.003 -2.391 11.246 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.270 -2.920 12.154 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.016 -3.658 10.555 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.905 -4.657 12.024 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.359 -2.534 13.687 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.930 -4.261 13.643 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.713 -3.031 13.226 1.00 0.00 H new ATOM 1593 N SER B 13 -0.741 -3.035 9.831 1.00 0.00 N ATOM 1594 CA SER B 13 0.598 -2.646 9.512 1.00 0.00 C ATOM 1595 C SER B 13 0.682 -1.188 9.217 1.00 0.00 C ATOM 1596 O SER B 13 -0.294 -0.558 8.812 1.00 0.00 O ATOM 1597 CB SER B 13 1.179 -3.378 8.289 1.00 0.00 C ATOM 1598 OG SER B 13 1.014 -4.784 8.399 1.00 0.00 O ATOM 0 H SER B 13 -1.456 -2.576 9.267 1.00 0.00 H new ATOM 0 HA SER B 13 1.176 -2.912 10.397 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.688 -3.022 7.383 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.238 -3.141 8.191 1.00 0.00 H new ATOM 0 HG SER B 13 0.388 -5.095 7.712 1.00 0.00 H new ATOM 1604 N ALA B 14 1.881 -0.606 9.395 1.00 0.00 N ATOM 1605 CA ALA B 14 2.189 0.712 8.935 1.00 0.00 C ATOM 1606 C ALA B 14 3.557 0.740 8.345 1.00 0.00 C ATOM 1607 O ALA B 14 4.385 -0.138 8.584 1.00 0.00 O ATOM 1608 CB ALA B 14 2.062 1.743 10.070 1.00 0.00 C ATOM 0 H ALA B 14 2.657 -1.064 9.872 1.00 0.00 H new ATOM 0 HA ALA B 14 1.468 0.983 8.164 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.303 2.735 9.689 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.041 1.739 10.453 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.752 1.486 10.874 1.00 0.00 H new ATOM 1614 N VAL B 15 3.831 1.753 7.505 1.00 0.00 N ATOM 1615 CA VAL B 15 5.098 2.040 6.907 1.00 0.00 C ATOM 1616 C VAL B 15 5.053 3.531 6.604 1.00 0.00 C ATOM 1617 O VAL B 15 3.959 4.056 6.268 1.00 0.00 O ATOM 1618 CB VAL B 15 5.454 1.208 5.710 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.348 1.212 4.641 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.782 1.641 5.068 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.098 4.220 6.754 1.00 0.00 O ATOM 0 H VAL B 15 3.113 2.421 7.223 1.00 0.00 H new ATOM 0 HA VAL B 15 5.902 1.774 7.593 1.00 0.00 H new ATOM 0 HB VAL B 15 5.566 0.193 6.091 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.656 0.595 3.797 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.429 0.811 5.067 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.175 2.233 4.301 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.993 1.007 4.207 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.709 2.680 4.745 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.587 1.543 5.796 1.00 0.00 H new