USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 940 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: B 16 ASN : amide:sc= -0.084 K(o=1.2,f=0.13!) USER MOD Set 1.2: B 20 THR OG1 : rot 94:sc= 1.28 USER MOD Set 2.1: A 48 TYR OH : rot 32:sc= 1.16 USER MOD Set 2.2: B 38 ASN : amide:sc= 0.856 K(o=2,f=-0.11) USER MOD Set 3.1: A 38 ASN : amide:sc= 0.914 K(o=2,f=-0.43) USER MOD Set 3.2: B 48 TYR OH : rot 24:sc= 1.06 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0419) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0621 (180deg=-0.393) USER MOD Single : A 16 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.3!) USER MOD Single : A 18 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -109:sc= -0.692 (180deg=-3.87!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.0026) USER MOD Single : A 35 THR OG1 : rot 84:sc= 0.582 USER MOD Single : A 41 MET CE :methyl 157:sc= -2.48! (180deg=-3.99!) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 1.34 (180deg=1.09) USER MOD Single : A 47 THR OG1 : rot 66:sc= -0.865! USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0074 USER MOD Single : A 53 GLN : amide:sc= -3.12! C(o=-3.1!,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 82:sc= 1.26 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 166:sc= -0.0133 (180deg=-0.164) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 23 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.111) USER MOD Single : B 24 MET CE :methyl -125:sc= 0 (180deg=-2.49!) USER MOD Single : B 27 HIS : no HE2:sc= 0.765 K(o=0.77,f=-2.6!) USER MOD Single : B 35 THR OG1 : rot 71:sc= 1.15 USER MOD Single : B 41 MET CE :methyl 150:sc= -2.68 (180deg=-3.15!) USER MOD Single : B 46 LYS NZ :NH3+ 166:sc= 1.35 (180deg=0.949) USER MOD Single : B 47 THR OG1 : rot 73:sc= -0.0871 USER MOD Single : B 51 TYR OH : rot 30:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0.454 X(o=0.45,f=-0.032) USER MOD Single : B 59 LYS NZ :NH3+ -163:sc= 0.777 (180deg=0.0539) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 30.403 -8.633 -12.701 1.00 0.00 N ATOM 54 CA ALA A 5 29.537 -9.569 -12.008 1.00 0.00 C ATOM 55 C ALA A 5 29.465 -9.224 -10.525 1.00 0.00 C ATOM 56 O ALA A 5 28.491 -9.549 -9.849 1.00 0.00 O ATOM 57 CB ALA A 5 30.034 -10.992 -12.203 1.00 0.00 C ATOM 0 HA ALA A 5 28.534 -9.495 -12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 5 29.375 -11.683 -11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 5 30.039 -11.233 -13.266 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.045 -11.082 -11.805 1.00 0.00 H new ATOM 63 N GLU A 6 30.500 -8.551 -10.033 1.00 0.00 N ATOM 64 CA GLU A 6 30.553 -8.130 -8.638 1.00 0.00 C ATOM 65 C GLU A 6 29.461 -7.113 -8.349 1.00 0.00 C ATOM 66 O GLU A 6 28.725 -7.228 -7.365 1.00 0.00 O ATOM 67 CB GLU A 6 31.914 -7.516 -8.320 1.00 0.00 C ATOM 68 CG GLU A 6 33.080 -8.381 -8.743 1.00 0.00 C ATOM 69 CD GLU A 6 34.413 -7.775 -8.367 1.00 0.00 C ATOM 70 OE1 GLU A 6 34.876 -6.864 -9.084 1.00 0.00 O ATOM 71 OE2 GLU A 6 35.004 -8.208 -7.356 1.00 0.00 O ATOM 0 H GLU A 6 31.317 -8.285 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 6 30.399 -9.009 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.992 -6.548 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.979 -7.332 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.987 -9.363 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 6 33.044 -8.532 -9.822 1.00 0.00 H new ATOM 78 N GLU A 7 29.369 -6.115 -9.216 1.00 0.00 N ATOM 79 CA GLU A 7 28.341 -5.104 -9.124 1.00 0.00 C ATOM 80 C GLU A 7 26.969 -5.738 -9.276 1.00 0.00 C ATOM 81 O GLU A 7 26.032 -5.393 -8.558 1.00 0.00 O ATOM 82 CB GLU A 7 28.560 -4.050 -10.205 1.00 0.00 C ATOM 83 CG GLU A 7 29.740 -3.122 -9.951 1.00 0.00 C ATOM 84 CD GLU A 7 31.070 -3.849 -9.872 1.00 0.00 C ATOM 85 OE1 GLU A 7 31.433 -4.541 -10.846 1.00 0.00 O ATOM 86 OE2 GLU A 7 31.762 -3.718 -8.845 1.00 0.00 O ATOM 0 H GLU A 7 30.008 -5.989 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 7 28.395 -4.626 -8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.709 -4.553 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.655 -3.450 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.787 -2.379 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.574 -2.581 -9.019 1.00 0.00 H new ATOM 93 N LEU A 8 26.874 -6.684 -10.201 1.00 0.00 N ATOM 94 CA LEU A 8 25.641 -7.411 -10.447 1.00 0.00 C ATOM 95 C LEU A 8 25.214 -8.164 -9.188 1.00 0.00 C ATOM 96 O LEU A 8 24.063 -8.086 -8.763 1.00 0.00 O ATOM 97 CB LEU A 8 25.857 -8.380 -11.614 1.00 0.00 C ATOM 98 CG LEU A 8 24.628 -8.667 -12.476 1.00 0.00 C ATOM 99 CD1 LEU A 8 25.036 -9.359 -13.766 1.00 0.00 C ATOM 100 CD2 LEU A 8 23.618 -9.521 -11.725 1.00 0.00 C ATOM 0 H LEU A 8 27.650 -6.967 -10.800 1.00 0.00 H new ATOM 0 HA LEU A 8 24.846 -6.712 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.641 -7.978 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.226 -9.325 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 8 24.158 -7.713 -12.716 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.150 -9.557 -14.369 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.718 -8.717 -14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.533 -10.300 -13.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.754 -9.709 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 8 24.078 -10.470 -11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 8 23.297 -8.997 -10.825 1.00 0.00 H new ATOM 112 N LYS A 9 26.162 -8.869 -8.585 1.00 0.00 N ATOM 113 CA LYS A 9 25.905 -9.651 -7.384 1.00 0.00 C ATOM 114 C LYS A 9 25.456 -8.755 -6.235 1.00 0.00 C ATOM 115 O LYS A 9 24.487 -9.061 -5.549 1.00 0.00 O ATOM 116 CB LYS A 9 27.169 -10.419 -6.992 1.00 0.00 C ATOM 117 CG LYS A 9 26.925 -11.566 -6.024 1.00 0.00 C ATOM 118 CD LYS A 9 26.147 -12.695 -6.683 1.00 0.00 C ATOM 119 CE LYS A 9 26.094 -13.935 -5.798 1.00 0.00 C ATOM 120 NZ LYS A 9 25.421 -15.078 -6.476 1.00 0.00 N ATOM 0 H LYS A 9 27.127 -8.915 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 9 25.102 -10.357 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.636 -10.813 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.879 -9.724 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.880 -11.945 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.375 -11.201 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.133 -12.360 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.610 -12.948 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.107 -14.225 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.565 -13.699 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.407 -15.900 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.446 -14.812 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.940 -15.321 -7.344 1.00 0.00 H new ATOM 134 N ALA A 10 26.154 -7.640 -6.048 1.00 0.00 N ATOM 135 CA ALA A 10 25.837 -6.696 -4.976 1.00 0.00 C ATOM 136 C ALA A 10 24.487 -6.030 -5.221 1.00 0.00 C ATOM 137 O ALA A 10 23.722 -5.778 -4.287 1.00 0.00 O ATOM 138 CB ALA A 10 26.936 -5.648 -4.855 1.00 0.00 C ATOM 0 H ALA A 10 26.947 -7.365 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 10 25.776 -7.248 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 10 26.688 -4.952 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 27.883 -6.138 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.024 -5.103 -5.795 1.00 0.00 H new ATOM 144 N LYS A 11 24.203 -5.754 -6.486 1.00 0.00 N ATOM 145 CA LYS A 11 22.942 -5.135 -6.875 1.00 0.00 C ATOM 146 C LYS A 11 21.790 -6.114 -6.641 1.00 0.00 C ATOM 147 O LYS A 11 20.779 -5.763 -6.032 1.00 0.00 O ATOM 148 CB LYS A 11 23.002 -4.723 -8.355 1.00 0.00 C ATOM 149 CG LYS A 11 22.228 -3.456 -8.714 1.00 0.00 C ATOM 150 CD LYS A 11 20.722 -3.619 -8.562 1.00 0.00 C ATOM 151 CE LYS A 11 19.965 -2.661 -9.475 1.00 0.00 C ATOM 152 NZ LYS A 11 20.355 -1.243 -9.261 1.00 0.00 N ATOM 0 H LYS A 11 24.832 -5.950 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 11 22.773 -4.245 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.046 -4.582 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.620 -5.546 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.566 -2.638 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.456 -3.176 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.440 -4.646 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.437 -3.438 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.150 -2.932 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.894 -2.770 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.710 -0.622 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.299 -1.017 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.329 -1.097 -9.595 1.00 0.00 H new ATOM 166 N LEU A 12 21.960 -7.341 -7.125 1.00 0.00 N ATOM 167 CA LEU A 12 20.971 -8.395 -6.930 1.00 0.00 C ATOM 168 C LEU A 12 20.803 -8.696 -5.447 1.00 0.00 C ATOM 169 O LEU A 12 19.688 -8.909 -4.971 1.00 0.00 O ATOM 170 CB LEU A 12 21.391 -9.666 -7.678 1.00 0.00 C ATOM 171 CG LEU A 12 20.436 -10.854 -7.544 1.00 0.00 C ATOM 172 CD1 LEU A 12 19.078 -10.526 -8.149 1.00 0.00 C ATOM 173 CD2 LEU A 12 21.033 -12.089 -8.204 1.00 0.00 C ATOM 0 H LEU A 12 22.780 -7.630 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 12 20.017 -8.051 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.498 -9.426 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.374 -9.970 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 12 20.293 -11.062 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.415 -11.385 -8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.647 -9.669 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.198 -10.289 -9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.343 -12.926 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.205 -11.889 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.979 -12.337 -7.723 1.00 0.00 H new ATOM 185 N LYS A 13 21.919 -8.700 -4.727 1.00 0.00 N ATOM 186 CA LYS A 13 21.905 -8.907 -3.285 1.00 0.00 C ATOM 187 C LYS A 13 21.040 -7.850 -2.612 1.00 0.00 C ATOM 188 O LYS A 13 20.157 -8.169 -1.813 1.00 0.00 O ATOM 189 CB LYS A 13 23.328 -8.837 -2.723 1.00 0.00 C ATOM 190 CG LYS A 13 23.425 -9.132 -1.234 1.00 0.00 C ATOM 191 CD LYS A 13 23.016 -10.561 -0.908 1.00 0.00 C ATOM 192 CE LYS A 13 23.103 -10.837 0.587 1.00 0.00 C ATOM 193 NZ LYS A 13 22.776 -12.249 0.918 1.00 0.00 N ATOM 0 H LYS A 13 22.849 -8.561 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 13 21.490 -9.894 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.956 -9.545 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.733 -7.843 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.447 -8.962 -0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 13 22.788 -8.438 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 13 21.997 -10.737 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 13 23.660 -11.257 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.108 -10.607 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.420 -10.174 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 22.848 -12.390 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.807 -12.463 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.444 -12.883 0.434 1.00 0.00 H new ATOM 207 N LYS A 14 21.300 -6.592 -2.948 1.00 0.00 N ATOM 208 CA LYS A 14 20.548 -5.478 -2.401 1.00 0.00 C ATOM 209 C LYS A 14 19.060 -5.615 -2.708 1.00 0.00 C ATOM 210 O LYS A 14 18.224 -5.451 -1.823 1.00 0.00 O ATOM 211 CB LYS A 14 21.071 -4.149 -2.952 1.00 0.00 C ATOM 212 CG LYS A 14 20.408 -2.946 -2.305 1.00 0.00 C ATOM 213 CD LYS A 14 20.500 -3.021 -0.788 1.00 0.00 C ATOM 214 CE LYS A 14 21.803 -2.442 -0.263 1.00 0.00 C ATOM 215 NZ LYS A 14 21.883 -0.976 -0.481 1.00 0.00 N ATOM 0 H LYS A 14 22.033 -6.320 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 14 20.681 -5.490 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 14 22.148 -4.094 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.904 -4.116 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.885 -2.031 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.362 -2.897 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.661 -2.482 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.412 -4.060 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.893 -2.656 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 14 22.643 -2.929 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.565 -0.562 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.194 -0.786 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.946 -0.551 -0.328 1.00 0.00 H new ATOM 229 N LEU A 15 18.735 -5.922 -3.956 1.00 0.00 N ATOM 230 CA LEU A 15 17.346 -6.076 -4.367 1.00 0.00 C ATOM 231 C LEU A 15 16.676 -7.209 -3.602 1.00 0.00 C ATOM 232 O LEU A 15 15.572 -7.047 -3.083 1.00 0.00 O ATOM 233 CB LEU A 15 17.256 -6.331 -5.872 1.00 0.00 C ATOM 234 CG LEU A 15 17.658 -5.149 -6.756 1.00 0.00 C ATOM 235 CD1 LEU A 15 17.542 -5.525 -8.224 1.00 0.00 C ATOM 236 CD2 LEU A 15 16.787 -3.941 -6.446 1.00 0.00 C ATOM 0 H LEU A 15 19.415 -6.069 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 15 16.822 -5.148 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.891 -7.182 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.232 -6.615 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 15 18.696 -4.892 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.831 -4.674 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.199 -6.368 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.512 -5.803 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.083 -3.106 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.742 -4.188 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.911 -3.662 -5.400 1.00 0.00 H new ATOM 248 N ASN A 16 17.357 -8.345 -3.516 1.00 0.00 N ATOM 249 CA ASN A 16 16.838 -9.509 -2.807 1.00 0.00 C ATOM 250 C ASN A 16 16.593 -9.159 -1.341 1.00 0.00 C ATOM 251 O ASN A 16 15.514 -9.414 -0.797 1.00 0.00 O ATOM 252 CB ASN A 16 17.832 -10.672 -2.919 1.00 0.00 C ATOM 253 CG ASN A 16 17.232 -12.015 -2.528 1.00 0.00 C ATOM 254 OD1 ASN A 16 16.315 -12.098 -1.706 1.00 0.00 O ATOM 255 ND2 ASN A 16 17.753 -13.081 -3.114 1.00 0.00 N ATOM 0 H ASN A 16 18.278 -8.486 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 16 15.892 -9.811 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.199 -10.730 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.693 -10.467 -2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.397 -14.011 -2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.510 -12.973 -3.789 1.00 0.00 H new ATOM 262 N ALA A 17 17.588 -8.541 -0.718 1.00 0.00 N ATOM 263 CA ALA A 17 17.500 -8.159 0.685 1.00 0.00 C ATOM 264 C ALA A 17 16.413 -7.111 0.904 1.00 0.00 C ATOM 265 O ALA A 17 15.603 -7.234 1.824 1.00 0.00 O ATOM 266 CB ALA A 17 18.843 -7.639 1.176 1.00 0.00 C ATOM 0 H ALA A 17 18.470 -8.292 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 17 17.233 -9.046 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.762 -7.357 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.597 -8.418 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.133 -6.768 0.588 1.00 0.00 H new ATOM 272 N GLN A 18 16.393 -6.092 0.049 1.00 0.00 N ATOM 273 CA GLN A 18 15.412 -5.017 0.153 1.00 0.00 C ATOM 274 C GLN A 18 14.000 -5.563 -0.031 1.00 0.00 C ATOM 275 O GLN A 18 13.094 -5.238 0.740 1.00 0.00 O ATOM 276 CB GLN A 18 15.693 -3.928 -0.888 1.00 0.00 C ATOM 277 CG GLN A 18 14.783 -2.718 -0.771 1.00 0.00 C ATOM 278 CD GLN A 18 15.070 -1.666 -1.824 1.00 0.00 C ATOM 279 OE1 GLN A 18 15.886 -0.770 -1.617 1.00 0.00 O ATOM 280 NE2 GLN A 18 14.403 -1.770 -2.962 1.00 0.00 N ATOM 0 H GLN A 18 17.048 -5.989 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 18 15.492 -4.578 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.729 -3.603 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.587 -4.356 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.745 -3.039 -0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.898 -2.276 0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.734 -2.529 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.558 -1.091 -3.708 1.00 0.00 H new ATOM 289 N ALA A 19 13.824 -6.407 -1.045 1.00 0.00 N ATOM 290 CA ALA A 19 12.528 -7.012 -1.323 1.00 0.00 C ATOM 291 C ALA A 19 12.051 -7.842 -0.136 1.00 0.00 C ATOM 292 O ALA A 19 10.868 -7.840 0.196 1.00 0.00 O ATOM 293 CB ALA A 19 12.599 -7.869 -2.580 1.00 0.00 C ATOM 0 H ALA A 19 14.565 -6.686 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 19 11.807 -6.212 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.623 -8.313 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.889 -7.248 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.336 -8.660 -2.440 1.00 0.00 H new ATOM 299 N THR A 20 12.982 -8.535 0.506 1.00 0.00 N ATOM 300 CA THR A 20 12.665 -9.353 1.667 1.00 0.00 C ATOM 301 C THR A 20 12.360 -8.478 2.886 1.00 0.00 C ATOM 302 O THR A 20 11.431 -8.759 3.645 1.00 0.00 O ATOM 303 CB THR A 20 13.826 -10.314 1.993 1.00 0.00 C ATOM 304 OG1 THR A 20 14.187 -11.060 0.819 1.00 0.00 O ATOM 305 CG2 THR A 20 13.442 -11.278 3.107 1.00 0.00 C ATOM 0 H THR A 20 13.967 -8.546 0.240 1.00 0.00 H new ATOM 0 HA THR A 20 11.778 -9.939 1.426 1.00 0.00 H new ATOM 0 HB THR A 20 14.675 -9.718 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.621 -10.464 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.279 -11.944 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.193 -10.714 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.579 -11.867 2.797 1.00 0.00 H new ATOM 313 N ALA A 21 13.134 -7.409 3.056 1.00 0.00 N ATOM 314 CA ALA A 21 12.942 -6.498 4.177 1.00 0.00 C ATOM 315 C ALA A 21 11.578 -5.829 4.099 1.00 0.00 C ATOM 316 O ALA A 21 10.854 -5.754 5.088 1.00 0.00 O ATOM 317 CB ALA A 21 14.044 -5.448 4.208 1.00 0.00 C ATOM 0 H ALA A 21 13.899 -7.154 2.431 1.00 0.00 H new ATOM 0 HA ALA A 21 12.989 -7.079 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.884 -4.777 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.011 -5.939 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.027 -4.875 3.281 1.00 0.00 H new ATOM 323 N LEU A 22 11.230 -5.358 2.912 1.00 0.00 N ATOM 324 CA LEU A 22 9.945 -4.714 2.693 1.00 0.00 C ATOM 325 C LEU A 22 8.810 -5.729 2.793 1.00 0.00 C ATOM 326 O LEU A 22 7.711 -5.403 3.236 1.00 0.00 O ATOM 327 CB LEU A 22 9.932 -4.022 1.330 1.00 0.00 C ATOM 328 CG LEU A 22 10.950 -2.890 1.178 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.964 -2.368 -0.245 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.642 -1.759 2.150 1.00 0.00 C ATOM 0 H LEU A 22 11.822 -5.410 2.083 1.00 0.00 H new ATOM 0 HA LEU A 22 9.794 -3.962 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.120 -4.768 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.934 -3.622 1.151 1.00 0.00 H new ATOM 0 HG LEU A 22 11.937 -3.289 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.695 -1.564 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.232 -3.176 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.975 -1.989 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.377 -0.963 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.645 -1.367 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.683 -2.136 3.172 1.00 0.00 H new ATOM 342 N LYS A 23 9.096 -6.967 2.402 1.00 0.00 N ATOM 343 CA LYS A 23 8.120 -8.047 2.482 1.00 0.00 C ATOM 344 C LYS A 23 7.730 -8.315 3.936 1.00 0.00 C ATOM 345 O LYS A 23 6.547 -8.363 4.274 1.00 0.00 O ATOM 346 CB LYS A 23 8.690 -9.313 1.821 1.00 0.00 C ATOM 347 CG LYS A 23 7.806 -10.546 1.934 1.00 0.00 C ATOM 348 CD LYS A 23 8.281 -11.472 3.043 1.00 0.00 C ATOM 349 CE LYS A 23 7.442 -12.738 3.121 1.00 0.00 C ATOM 350 NZ LYS A 23 7.975 -13.694 4.126 1.00 0.00 N ATOM 0 H LYS A 23 10.001 -7.248 2.025 1.00 0.00 H new ATOM 0 HA LYS A 23 7.218 -7.751 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.867 -9.106 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.658 -9.535 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.778 -10.241 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.805 -11.083 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.324 -11.738 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.237 -10.948 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.415 -12.478 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.416 -13.217 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.376 -14.544 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.946 -13.962 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.977 -13.246 5.065 1.00 0.00 H new ATOM 364 N MET A 24 8.725 -8.468 4.803 1.00 0.00 N ATOM 365 CA MET A 24 8.455 -8.739 6.212 1.00 0.00 C ATOM 366 C MET A 24 7.874 -7.504 6.899 1.00 0.00 C ATOM 367 O MET A 24 7.103 -7.622 7.852 1.00 0.00 O ATOM 368 CB MET A 24 9.718 -9.223 6.938 1.00 0.00 C ATOM 369 CG MET A 24 10.847 -8.205 6.981 1.00 0.00 C ATOM 370 SD MET A 24 12.331 -8.846 7.779 1.00 0.00 S ATOM 371 CE MET A 24 13.423 -7.432 7.643 1.00 0.00 C ATOM 0 H MET A 24 9.714 -8.410 4.560 1.00 0.00 H new ATOM 0 HA MET A 24 7.716 -9.538 6.262 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.453 -9.497 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.079 -10.128 6.449 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.091 -7.896 5.965 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.509 -7.316 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.205 -7.645 6.914 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.852 -6.561 7.319 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.877 -7.228 8.613 1.00 0.00 H new ATOM 381 N ASP A 25 8.222 -6.325 6.391 1.00 0.00 N ATOM 382 CA ASP A 25 7.719 -5.075 6.949 1.00 0.00 C ATOM 383 C ASP A 25 6.252 -4.893 6.584 1.00 0.00 C ATOM 384 O ASP A 25 5.445 -4.471 7.410 1.00 0.00 O ATOM 385 CB ASP A 25 8.532 -3.884 6.439 1.00 0.00 C ATOM 386 CG ASP A 25 8.410 -2.674 7.347 1.00 0.00 C ATOM 387 OD1 ASP A 25 7.360 -1.999 7.327 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.374 -2.391 8.091 1.00 0.00 O ATOM 0 H ASP A 25 8.849 -6.210 5.595 1.00 0.00 H new ATOM 0 HA ASP A 25 7.818 -5.122 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.581 -4.170 6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.195 -3.619 5.437 1.00 0.00 H new ATOM 393 N LEU A 26 5.912 -5.228 5.344 1.00 0.00 N ATOM 394 CA LEU A 26 4.532 -5.152 4.875 1.00 0.00 C ATOM 395 C LEU A 26 3.648 -6.119 5.656 1.00 0.00 C ATOM 396 O LEU A 26 2.494 -5.815 5.964 1.00 0.00 O ATOM 397 CB LEU A 26 4.455 -5.460 3.375 1.00 0.00 C ATOM 398 CG LEU A 26 3.060 -5.355 2.753 1.00 0.00 C ATOM 399 CD1 LEU A 26 2.521 -3.937 2.876 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.099 -5.784 1.296 1.00 0.00 C ATOM 0 H LEU A 26 6.576 -5.556 4.643 1.00 0.00 H new ATOM 0 HA LEU A 26 4.171 -4.137 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.122 -4.778 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.833 -6.469 3.209 1.00 0.00 H new ATOM 0 HG LEU A 26 2.390 -6.022 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.529 -3.885 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.458 -3.662 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.189 -3.248 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.100 -5.704 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.784 -5.139 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.441 -6.817 1.230 1.00 0.00 H new ATOM 412 N HIS A 27 4.195 -7.282 5.986 1.00 0.00 N ATOM 413 CA HIS A 27 3.466 -8.252 6.792 1.00 0.00 C ATOM 414 C HIS A 27 3.251 -7.696 8.198 1.00 0.00 C ATOM 415 O HIS A 27 2.159 -7.801 8.757 1.00 0.00 O ATOM 416 CB HIS A 27 4.217 -9.589 6.846 1.00 0.00 C ATOM 417 CG HIS A 27 3.468 -10.673 7.567 1.00 0.00 C ATOM 418 ND1 HIS A 27 3.883 -11.200 8.769 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.332 -11.335 7.242 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.039 -12.140 9.151 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.088 -12.241 8.243 1.00 0.00 N ATOM 0 H HIS A 27 5.133 -7.575 5.711 1.00 0.00 H new ATOM 0 HA HIS A 27 2.495 -8.433 6.332 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.427 -9.919 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.179 -9.436 7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.730 -11.179 6.359 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.114 -12.727 10.054 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.300 -12.887 8.279 1.00 0.00 H new ATOM 430 N ASP A 28 4.300 -7.085 8.748 1.00 0.00 N ATOM 431 CA ASP A 28 4.221 -6.413 10.044 1.00 0.00 C ATOM 432 C ASP A 28 3.202 -5.280 9.997 1.00 0.00 C ATOM 433 O ASP A 28 2.450 -5.066 10.944 1.00 0.00 O ATOM 434 CB ASP A 28 5.603 -5.874 10.439 1.00 0.00 C ATOM 435 CG ASP A 28 5.554 -4.844 11.555 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.165 -5.195 12.689 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.925 -3.676 11.304 1.00 0.00 O ATOM 0 H ASP A 28 5.221 -7.042 8.312 1.00 0.00 H new ATOM 0 HA ASP A 28 3.896 -7.134 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.234 -6.707 10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.074 -5.428 9.563 1.00 0.00 H new ATOM 442 N LEU A 29 3.185 -4.571 8.877 1.00 0.00 N ATOM 443 CA LEU A 29 2.231 -3.494 8.645 1.00 0.00 C ATOM 444 C LEU A 29 0.793 -4.006 8.698 1.00 0.00 C ATOM 445 O LEU A 29 -0.073 -3.381 9.309 1.00 0.00 O ATOM 446 CB LEU A 29 2.502 -2.851 7.286 1.00 0.00 C ATOM 447 CG LEU A 29 1.493 -1.793 6.854 1.00 0.00 C ATOM 448 CD1 LEU A 29 1.581 -0.577 7.759 1.00 0.00 C ATOM 449 CD2 LEU A 29 1.733 -1.405 5.405 1.00 0.00 C ATOM 0 H LEU A 29 3.832 -4.726 8.103 1.00 0.00 H new ATOM 0 HA LEU A 29 2.355 -2.753 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.493 -2.397 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.528 -3.636 6.530 1.00 0.00 H new ATOM 0 HG LEU A 29 0.489 -2.208 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.854 0.169 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.368 -0.872 8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.584 -0.154 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.007 -0.649 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.741 -1.003 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.624 -2.284 4.770 1.00 0.00 H new ATOM 461 N ALA A 30 0.545 -5.142 8.055 1.00 0.00 N ATOM 462 CA ALA A 30 -0.785 -5.748 8.046 1.00 0.00 C ATOM 463 C ALA A 30 -1.197 -6.174 9.450 1.00 0.00 C ATOM 464 O ALA A 30 -2.383 -6.178 9.788 1.00 0.00 O ATOM 465 CB ALA A 30 -0.821 -6.939 7.103 1.00 0.00 C ATOM 0 H ALA A 30 1.248 -5.664 7.532 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.495 -5.000 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.819 -7.378 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.575 -6.611 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.095 -7.684 7.430 1.00 0.00 H new ATOM 471 N GLU A 31 -0.210 -6.546 10.251 1.00 0.00 N ATOM 472 CA GLU A 31 -0.428 -6.916 11.636 1.00 0.00 C ATOM 473 C GLU A 31 -0.608 -5.668 12.502 1.00 0.00 C ATOM 474 O GLU A 31 -1.209 -5.728 13.576 1.00 0.00 O ATOM 475 CB GLU A 31 0.758 -7.742 12.139 1.00 0.00 C ATOM 476 CG GLU A 31 0.940 -9.066 11.419 1.00 0.00 C ATOM 477 CD GLU A 31 2.154 -9.837 11.911 1.00 0.00 C ATOM 478 OE1 GLU A 31 3.289 -9.492 11.515 1.00 0.00 O ATOM 479 OE2 GLU A 31 1.981 -10.799 12.691 1.00 0.00 O ATOM 0 H GLU A 31 0.765 -6.599 9.956 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.337 -7.514 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.669 -7.153 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.628 -7.935 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.047 -9.676 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.040 -8.883 10.349 1.00 0.00 H new ATOM 486 N ASP A 32 -0.096 -4.539 12.020 1.00 0.00 N ATOM 487 CA ASP A 32 -0.112 -3.293 12.781 1.00 0.00 C ATOM 488 C ASP A 32 -1.038 -2.269 12.125 1.00 0.00 C ATOM 489 O ASP A 32 -0.734 -1.078 12.054 1.00 0.00 O ATOM 490 CB ASP A 32 1.307 -2.729 12.885 1.00 0.00 C ATOM 491 CG ASP A 32 1.499 -1.852 14.106 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.237 -0.635 14.027 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.939 -2.378 15.153 1.00 0.00 O ATOM 0 H ASP A 32 0.338 -4.461 11.100 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.489 -3.503 13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.020 -3.553 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.531 -2.151 11.988 1.00 0.00 H new ATOM 498 N LEU A 33 -2.177 -2.745 11.640 1.00 0.00 N ATOM 499 CA LEU A 33 -3.205 -1.865 11.094 1.00 0.00 C ATOM 500 C LEU A 33 -3.697 -0.887 12.162 1.00 0.00 C ATOM 501 O LEU A 33 -3.487 -1.139 13.345 1.00 0.00 O ATOM 502 CB LEU A 33 -4.337 -2.686 10.481 1.00 0.00 C ATOM 503 CG LEU A 33 -4.165 -2.969 8.987 1.00 0.00 C ATOM 504 CD1 LEU A 33 -5.334 -3.784 8.452 1.00 0.00 C ATOM 505 CD2 LEU A 33 -4.019 -1.655 8.221 1.00 0.00 C ATOM 0 H LEU A 33 -2.414 -3.737 11.613 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.776 -1.265 10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.413 -3.634 11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.278 -2.158 10.634 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.259 -3.557 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.189 -3.973 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.390 -4.733 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.261 -3.230 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.897 -1.865 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.910 -1.046 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.145 -1.116 8.587 1.00 0.00 H new ATOM 517 N PRO A 34 -4.469 0.163 11.759 1.00 0.00 N ATOM 518 CA PRO A 34 -4.518 1.484 12.363 1.00 0.00 C ATOM 519 C PRO A 34 -3.548 1.750 13.520 1.00 0.00 C ATOM 520 O PRO A 34 -3.489 1.014 14.499 1.00 0.00 O ATOM 521 CB PRO A 34 -5.986 1.530 12.754 1.00 0.00 C ATOM 522 CG PRO A 34 -6.666 0.852 11.588 1.00 0.00 C ATOM 523 CD PRO A 34 -5.574 0.122 10.806 1.00 0.00 C ATOM 0 HA PRO A 34 -4.182 2.276 11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.171 1.005 13.691 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.337 2.553 12.887 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.426 0.152 11.937 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.171 1.583 10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.861 -0.898 10.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.330 0.626 9.871 1.00 0.00 H new ATOM 531 N THR A 35 -2.903 2.917 13.417 1.00 0.00 N ATOM 532 CA THR A 35 -1.693 3.290 14.168 1.00 0.00 C ATOM 533 C THR A 35 -0.457 3.047 13.297 1.00 0.00 C ATOM 534 O THR A 35 0.621 3.584 13.553 1.00 0.00 O ATOM 535 CB THR A 35 -1.552 2.560 15.532 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.718 2.799 16.338 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.320 3.031 16.296 1.00 0.00 C ATOM 0 H THR A 35 -3.218 3.655 12.787 1.00 0.00 H new ATOM 0 HA THR A 35 -1.784 4.349 14.409 1.00 0.00 H new ATOM 0 HB THR A 35 -1.446 1.495 15.325 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.424 2.168 16.087 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.255 2.498 17.245 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.573 2.830 15.705 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.397 4.102 16.486 1.00 0.00 H new ATOM 545 N GLY A 36 -0.635 2.262 12.241 1.00 0.00 N ATOM 546 CA GLY A 36 0.407 2.103 11.244 1.00 0.00 C ATOM 547 C GLY A 36 -0.110 2.382 9.843 1.00 0.00 C ATOM 548 O GLY A 36 0.568 2.119 8.855 1.00 0.00 O ATOM 0 H GLY A 36 -1.486 1.731 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.232 2.779 11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.804 1.089 11.290 1.00 0.00 H new ATOM 552 N TRP A 37 -1.313 2.941 9.770 1.00 0.00 N ATOM 553 CA TRP A 37 -2.001 3.152 8.497 1.00 0.00 C ATOM 554 C TRP A 37 -1.283 4.152 7.583 1.00 0.00 C ATOM 555 O TRP A 37 -1.402 4.067 6.362 1.00 0.00 O ATOM 556 CB TRP A 37 -3.444 3.608 8.748 1.00 0.00 C ATOM 557 CG TRP A 37 -3.560 4.898 9.512 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.447 5.066 10.863 1.00 0.00 C ATOM 559 CD2 TRP A 37 -3.825 6.195 8.967 1.00 0.00 C ATOM 560 NE1 TRP A 37 -3.614 6.390 11.190 1.00 0.00 N ATOM 561 CE2 TRP A 37 -3.846 7.103 10.045 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.037 6.680 7.673 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -4.077 8.465 9.866 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -4.265 8.032 7.499 1.00 0.00 C ATOM 565 CH2 TRP A 37 -4.283 8.909 8.590 1.00 0.00 C ATOM 0 H TRP A 37 -1.838 3.260 10.585 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.999 2.195 7.976 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.949 3.720 7.789 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.970 2.826 9.296 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.254 4.273 11.571 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.572 6.778 12.132 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.023 6.011 6.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.093 9.145 10.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.432 8.418 6.504 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.464 9.960 8.420 1.00 0.00 H new ATOM 576 N ASN A 38 -0.545 5.091 8.150 1.00 0.00 N ATOM 577 CA ASN A 38 0.154 6.074 7.329 1.00 0.00 C ATOM 578 C ASN A 38 1.434 5.472 6.753 1.00 0.00 C ATOM 579 O ASN A 38 1.965 5.947 5.749 1.00 0.00 O ATOM 580 CB ASN A 38 0.454 7.344 8.129 1.00 0.00 C ATOM 581 CG ASN A 38 1.083 8.430 7.272 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.383 9.176 6.583 1.00 0.00 O ATOM 583 ND2 ASN A 38 2.404 8.541 7.318 1.00 0.00 N ATOM 0 H ASN A 38 -0.413 5.196 9.156 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.496 6.353 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.470 7.721 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.124 7.101 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.875 9.262 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.949 7.905 7.900 1.00 0.00 H new ATOM 590 N ARG A 39 1.893 4.389 7.368 1.00 0.00 N ATOM 591 CA ARG A 39 3.099 3.700 6.922 1.00 0.00 C ATOM 592 C ARG A 39 2.808 2.923 5.640 1.00 0.00 C ATOM 593 O ARG A 39 3.719 2.568 4.888 1.00 0.00 O ATOM 594 CB ARG A 39 3.595 2.730 8.002 1.00 0.00 C ATOM 595 CG ARG A 39 4.991 2.180 7.744 1.00 0.00 C ATOM 596 CD ARG A 39 5.114 0.722 8.166 1.00 0.00 C ATOM 597 NE ARG A 39 4.793 0.500 9.576 1.00 0.00 N ATOM 598 CZ ARG A 39 4.972 -0.667 10.200 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.534 -1.692 9.567 1.00 0.00 N ATOM 600 NH2 ARG A 39 4.606 -0.812 11.469 1.00 0.00 N ATOM 0 H ARG A 39 1.446 3.967 8.182 1.00 0.00 H new ATOM 0 HA ARG A 39 3.872 4.445 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.589 3.240 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.895 1.897 8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.227 2.272 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.723 2.778 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.451 0.115 7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.131 0.379 7.973 1.00 0.00 H new ATOM 0 HE ARG A 39 4.411 1.280 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.832 -1.591 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.667 -2.580 10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.186 -0.030 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.745 -1.706 11.941 1.00 0.00 H new ATOM 614 N ILE A 40 1.521 2.681 5.398 1.00 0.00 N ATOM 615 CA ILE A 40 1.071 1.849 4.286 1.00 0.00 C ATOM 616 C ILE A 40 1.596 2.343 2.938 1.00 0.00 C ATOM 617 O ILE A 40 2.166 1.565 2.175 1.00 0.00 O ATOM 618 CB ILE A 40 -0.475 1.763 4.245 1.00 0.00 C ATOM 619 CG1 ILE A 40 -1.001 1.086 5.515 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.941 1.008 3.010 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.513 1.022 5.598 1.00 0.00 C ATOM 0 H ILE A 40 0.762 3.056 5.967 1.00 0.00 H new ATOM 0 HA ILE A 40 1.482 0.855 4.460 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.875 2.776 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.601 0.073 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.622 1.623 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.030 0.960 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.594 1.525 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.533 -0.003 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.806 0.529 6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.921 2.032 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.900 0.458 4.749 1.00 0.00 H new ATOM 633 N MET A 41 1.433 3.634 2.661 1.00 0.00 N ATOM 634 CA MET A 41 1.816 4.190 1.361 1.00 0.00 C ATOM 635 C MET A 41 3.304 4.018 1.088 1.00 0.00 C ATOM 636 O MET A 41 3.697 3.642 -0.019 1.00 0.00 O ATOM 637 CB MET A 41 1.441 5.671 1.266 1.00 0.00 C ATOM 638 CG MET A 41 -0.038 5.928 1.018 1.00 0.00 C ATOM 639 SD MET A 41 -0.515 5.825 -0.725 1.00 0.00 S ATOM 640 CE MET A 41 -0.314 4.082 -1.091 1.00 0.00 C ATOM 0 H MET A 41 1.041 4.313 3.313 1.00 0.00 H new ATOM 0 HA MET A 41 1.264 3.633 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.734 6.168 2.191 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.017 6.129 0.462 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.623 5.207 1.588 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.294 6.917 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.934 3.816 -1.947 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.731 3.877 -1.322 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.617 3.491 -0.226 1.00 0.00 H new ATOM 650 N GLU A 42 4.124 4.272 2.099 1.00 0.00 N ATOM 651 CA GLU A 42 5.573 4.180 1.948 1.00 0.00 C ATOM 652 C GLU A 42 5.991 2.760 1.603 1.00 0.00 C ATOM 653 O GLU A 42 6.657 2.523 0.592 1.00 0.00 O ATOM 654 CB GLU A 42 6.269 4.615 3.235 1.00 0.00 C ATOM 655 CG GLU A 42 7.781 4.701 3.109 1.00 0.00 C ATOM 656 CD GLU A 42 8.450 5.122 4.399 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.318 6.301 4.784 1.00 0.00 O ATOM 658 OE2 GLU A 42 9.129 4.280 5.025 1.00 0.00 O ATOM 0 H GLU A 42 3.813 4.543 3.032 1.00 0.00 H new ATOM 0 HA GLU A 42 5.869 4.843 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.882 5.588 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.018 3.912 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.172 3.731 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.036 5.412 2.323 1.00 0.00 H new ATOM 665 N VAL A 43 5.590 1.825 2.450 1.00 0.00 N ATOM 666 CA VAL A 43 5.930 0.422 2.259 1.00 0.00 C ATOM 667 C VAL A 43 5.403 -0.080 0.922 1.00 0.00 C ATOM 668 O VAL A 43 6.144 -0.666 0.139 1.00 0.00 O ATOM 669 CB VAL A 43 5.376 -0.459 3.398 1.00 0.00 C ATOM 670 CG1 VAL A 43 5.753 -1.918 3.186 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.884 0.030 4.746 1.00 0.00 C ATOM 0 H VAL A 43 5.027 2.012 3.279 1.00 0.00 H new ATOM 0 HA VAL A 43 7.018 0.349 2.269 1.00 0.00 H new ATOM 0 HB VAL A 43 4.289 -0.382 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.352 -2.520 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.339 -2.267 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.839 -2.014 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.483 -0.603 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.973 -0.014 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.560 1.059 4.905 1.00 0.00 H new ATOM 681 N ALA A 44 4.131 0.189 0.651 1.00 0.00 N ATOM 682 CA ALA A 44 3.490 -0.282 -0.572 1.00 0.00 C ATOM 683 C ALA A 44 4.211 0.214 -1.823 1.00 0.00 C ATOM 684 O ALA A 44 4.431 -0.554 -2.764 1.00 0.00 O ATOM 685 CB ALA A 44 2.036 0.147 -0.607 1.00 0.00 C ATOM 0 H ALA A 44 3.522 0.732 1.263 1.00 0.00 H new ATOM 0 HA ALA A 44 3.545 -1.371 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.573 -0.212 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.512 -0.273 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.977 1.235 -0.572 1.00 0.00 H new ATOM 691 N GLU A 45 4.584 1.490 -1.833 1.00 0.00 N ATOM 692 CA GLU A 45 5.260 2.071 -2.984 1.00 0.00 C ATOM 693 C GLU A 45 6.632 1.437 -3.162 1.00 0.00 C ATOM 694 O GLU A 45 6.943 0.898 -4.224 1.00 0.00 O ATOM 695 CB GLU A 45 5.384 3.590 -2.822 1.00 0.00 C ATOM 696 CG GLU A 45 5.867 4.309 -4.074 1.00 0.00 C ATOM 697 CD GLU A 45 7.240 4.931 -3.910 1.00 0.00 C ATOM 698 OE1 GLU A 45 7.446 5.678 -2.930 1.00 0.00 O ATOM 699 OE2 GLU A 45 8.121 4.682 -4.759 1.00 0.00 O ATOM 0 H GLU A 45 4.430 2.137 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 45 4.667 1.870 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.414 3.995 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.073 3.803 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.891 3.603 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.151 5.087 -4.338 1.00 0.00 H new ATOM 706 N LYS A 46 7.425 1.460 -2.099 1.00 0.00 N ATOM 707 CA LYS A 46 8.788 0.944 -2.144 1.00 0.00 C ATOM 708 C LYS A 46 8.816 -0.553 -2.450 1.00 0.00 C ATOM 709 O LYS A 46 9.663 -1.014 -3.213 1.00 0.00 O ATOM 710 CB LYS A 46 9.504 1.219 -0.818 1.00 0.00 C ATOM 711 CG LYS A 46 10.607 2.263 -0.918 1.00 0.00 C ATOM 712 CD LYS A 46 10.076 3.624 -1.345 1.00 0.00 C ATOM 713 CE LYS A 46 9.167 4.241 -0.289 1.00 0.00 C ATOM 714 NZ LYS A 46 8.759 5.626 -0.651 1.00 0.00 N ATOM 0 H LYS A 46 7.147 1.832 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 46 9.308 1.461 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.771 1.549 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.931 0.287 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.105 2.356 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.358 1.928 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.913 4.295 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.526 3.521 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.279 3.621 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.682 4.253 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.914 5.893 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.534 6.284 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.543 5.670 -1.667 1.00 0.00 H new ATOM 728 N THR A 47 7.891 -1.306 -1.860 1.00 0.00 N ATOM 729 CA THR A 47 7.851 -2.752 -2.049 1.00 0.00 C ATOM 730 C THR A 47 7.490 -3.110 -3.487 1.00 0.00 C ATOM 731 O THR A 47 8.149 -3.945 -4.110 1.00 0.00 O ATOM 732 CB THR A 47 6.848 -3.419 -1.083 1.00 0.00 C ATOM 733 OG1 THR A 47 7.151 -3.042 0.264 1.00 0.00 O ATOM 734 CG2 THR A 47 6.896 -4.932 -1.204 1.00 0.00 C ATOM 0 H THR A 47 7.161 -0.939 -1.249 1.00 0.00 H new ATOM 0 HA THR A 47 8.850 -3.129 -1.831 1.00 0.00 H new ATOM 0 HB THR A 47 5.846 -3.081 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.000 -2.080 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.180 -5.375 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.644 -5.224 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.899 -5.285 -0.963 1.00 0.00 H new ATOM 742 N TYR A 48 6.456 -2.467 -4.020 1.00 0.00 N ATOM 743 CA TYR A 48 6.032 -2.728 -5.390 1.00 0.00 C ATOM 744 C TYR A 48 7.135 -2.339 -6.370 1.00 0.00 C ATOM 745 O TYR A 48 7.439 -3.076 -7.310 1.00 0.00 O ATOM 746 CB TYR A 48 4.744 -1.967 -5.710 1.00 0.00 C ATOM 747 CG TYR A 48 4.231 -2.215 -7.109 1.00 0.00 C ATOM 748 CD1 TYR A 48 3.931 -3.499 -7.544 1.00 0.00 C ATOM 749 CD2 TYR A 48 4.049 -1.163 -8.000 1.00 0.00 C ATOM 750 CE1 TYR A 48 3.468 -3.729 -8.823 1.00 0.00 C ATOM 751 CE2 TYR A 48 3.585 -1.386 -9.281 1.00 0.00 C ATOM 752 CZ TYR A 48 3.295 -2.671 -9.686 1.00 0.00 C ATOM 753 OH TYR A 48 2.834 -2.900 -10.961 1.00 0.00 O ATOM 0 H TYR A 48 5.900 -1.767 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 48 5.835 -3.795 -5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.974 -2.253 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.920 -0.899 -5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.062 -4.332 -6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.274 -0.155 -7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.242 -4.735 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.450 -0.558 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 48 2.234 -3.675 -10.958 1.00 0.00 H new ATOM 763 N GLU A 49 7.742 -1.184 -6.125 1.00 0.00 N ATOM 764 CA GLU A 49 8.843 -0.703 -6.939 1.00 0.00 C ATOM 765 C GLU A 49 10.047 -1.634 -6.840 1.00 0.00 C ATOM 766 O GLU A 49 10.749 -1.860 -7.825 1.00 0.00 O ATOM 767 CB GLU A 49 9.219 0.711 -6.499 1.00 0.00 C ATOM 768 CG GLU A 49 8.218 1.770 -6.938 1.00 0.00 C ATOM 769 CD GLU A 49 8.205 1.975 -8.439 1.00 0.00 C ATOM 770 OE1 GLU A 49 7.543 1.196 -9.154 1.00 0.00 O ATOM 771 OE2 GLU A 49 8.867 2.922 -8.915 1.00 0.00 O ATOM 0 H GLU A 49 7.484 -0.560 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 49 8.527 -0.684 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.307 0.734 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.200 0.960 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.221 1.481 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.456 2.714 -6.448 1.00 0.00 H new ATOM 778 N ALA A 50 10.270 -2.186 -5.653 1.00 0.00 N ATOM 779 CA ALA A 50 11.370 -3.116 -5.430 1.00 0.00 C ATOM 780 C ALA A 50 11.184 -4.383 -6.256 1.00 0.00 C ATOM 781 O ALA A 50 12.120 -4.853 -6.901 1.00 0.00 O ATOM 782 CB ALA A 50 11.488 -3.462 -3.953 1.00 0.00 C ATOM 0 H ALA A 50 9.700 -2.004 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 50 12.292 -2.630 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.315 -4.157 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.673 -2.553 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.561 -3.924 -3.612 1.00 0.00 H new ATOM 788 N TYR A 51 9.969 -4.926 -6.239 1.00 0.00 N ATOM 789 CA TYR A 51 9.661 -6.120 -7.008 1.00 0.00 C ATOM 790 C TYR A 51 9.799 -5.851 -8.501 1.00 0.00 C ATOM 791 O TYR A 51 10.309 -6.686 -9.245 1.00 0.00 O ATOM 792 CB TYR A 51 8.252 -6.624 -6.686 1.00 0.00 C ATOM 793 CG TYR A 51 8.114 -7.208 -5.298 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.172 -7.882 -4.700 1.00 0.00 C ATOM 795 CD2 TYR A 51 6.925 -7.097 -4.590 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.049 -8.426 -3.437 1.00 0.00 C ATOM 797 CE2 TYR A 51 6.796 -7.639 -3.326 1.00 0.00 C ATOM 798 CZ TYR A 51 7.862 -8.299 -2.753 1.00 0.00 C ATOM 799 OH TYR A 51 7.738 -8.838 -1.493 1.00 0.00 O ATOM 0 H TYR A 51 9.186 -4.556 -5.701 1.00 0.00 H new ATOM 0 HA TYR A 51 10.376 -6.894 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.548 -5.799 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.971 -7.381 -7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.106 -7.982 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.088 -6.579 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.881 -8.949 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.864 -7.546 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 51 6.838 -8.660 -1.148 1.00 0.00 H new ATOM 809 N ARG A 52 9.353 -4.679 -8.937 1.00 0.00 N ATOM 810 CA ARG A 52 9.478 -4.306 -10.339 1.00 0.00 C ATOM 811 C ARG A 52 10.944 -4.134 -10.727 1.00 0.00 C ATOM 812 O ARG A 52 11.381 -4.649 -11.751 1.00 0.00 O ATOM 813 CB ARG A 52 8.700 -3.027 -10.645 1.00 0.00 C ATOM 814 CG ARG A 52 8.941 -2.527 -12.058 1.00 0.00 C ATOM 815 CD ARG A 52 7.996 -1.409 -12.447 1.00 0.00 C ATOM 816 NE ARG A 52 8.284 -0.930 -13.795 1.00 0.00 N ATOM 817 CZ ARG A 52 7.624 -1.322 -14.882 1.00 0.00 C ATOM 818 NH1 ARG A 52 6.546 -2.090 -14.777 1.00 0.00 N ATOM 819 NH2 ARG A 52 8.012 -0.917 -16.080 1.00 0.00 N ATOM 0 H ARG A 52 8.906 -3.978 -8.346 1.00 0.00 H new ATOM 0 HA ARG A 52 9.052 -5.115 -10.932 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.635 -3.210 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.987 -2.252 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.969 -2.176 -12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.826 -3.355 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.966 -1.763 -12.395 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.087 -0.587 -11.737 1.00 0.00 H new ATOM 0 HE ARG A 52 9.038 -0.253 -13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.217 -2.384 -13.857 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.047 -2.385 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.820 -0.302 -16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.503 -1.220 -16.910 1.00 0.00 H new ATOM 833 N GLN A 53 11.693 -3.415 -9.903 1.00 0.00 N ATOM 834 CA GLN A 53 13.116 -3.187 -10.149 1.00 0.00 C ATOM 835 C GLN A 53 13.866 -4.519 -10.168 1.00 0.00 C ATOM 836 O GLN A 53 14.808 -4.699 -10.935 1.00 0.00 O ATOM 837 CB GLN A 53 13.691 -2.263 -9.071 1.00 0.00 C ATOM 838 CG GLN A 53 14.759 -1.288 -9.567 1.00 0.00 C ATOM 839 CD GLN A 53 16.065 -1.957 -9.963 1.00 0.00 C ATOM 840 OE1 GLN A 53 16.939 -2.173 -9.128 1.00 0.00 O ATOM 841 NE2 GLN A 53 16.229 -2.241 -11.245 1.00 0.00 N ATOM 0 H GLN A 53 11.339 -2.976 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 53 13.237 -2.708 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.875 -1.692 -8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.118 -2.876 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.368 -0.741 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.960 -0.555 -8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.480 -2.047 -11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.104 -2.653 -11.568 1.00 0.00 H new ATOM 850 N LEU A 54 13.435 -5.452 -9.329 1.00 0.00 N ATOM 851 CA LEU A 54 14.020 -6.787 -9.299 1.00 0.00 C ATOM 852 C LEU A 54 13.865 -7.467 -10.660 1.00 0.00 C ATOM 853 O LEU A 54 14.823 -8.024 -11.201 1.00 0.00 O ATOM 854 CB LEU A 54 13.359 -7.628 -8.200 1.00 0.00 C ATOM 855 CG LEU A 54 13.929 -9.037 -8.008 1.00 0.00 C ATOM 856 CD1 LEU A 54 15.402 -8.974 -7.634 1.00 0.00 C ATOM 857 CD2 LEU A 54 13.141 -9.787 -6.944 1.00 0.00 C ATOM 0 H LEU A 54 12.680 -5.309 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 54 15.084 -6.699 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.444 -7.090 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.296 -7.714 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 54 13.839 -9.576 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.787 -9.985 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.958 -8.474 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.518 -8.417 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.558 -10.786 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.202 -9.248 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.098 -9.865 -7.251 1.00 0.00 H new ATOM 869 N ASP A 55 12.661 -7.399 -11.215 1.00 0.00 N ATOM 870 CA ASP A 55 12.391 -7.964 -12.536 1.00 0.00 C ATOM 871 C ASP A 55 13.116 -7.169 -13.617 1.00 0.00 C ATOM 872 O ASP A 55 13.731 -7.740 -14.515 1.00 0.00 O ATOM 873 CB ASP A 55 10.885 -7.981 -12.810 1.00 0.00 C ATOM 874 CG ASP A 55 10.545 -8.499 -14.198 1.00 0.00 C ATOM 875 OD1 ASP A 55 10.696 -9.715 -14.439 1.00 0.00 O ATOM 876 OD2 ASP A 55 10.114 -7.693 -15.047 1.00 0.00 O ATOM 0 H ASP A 55 11.854 -6.959 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 55 12.761 -8.989 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.392 -8.604 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.488 -6.972 -12.696 1.00 0.00 H new ATOM 881 N GLU A 56 13.054 -5.846 -13.507 1.00 0.00 N ATOM 882 CA GLU A 56 13.718 -4.938 -14.417 1.00 0.00 C ATOM 883 C GLU A 56 15.211 -5.245 -14.513 1.00 0.00 C ATOM 884 O GLU A 56 15.765 -5.367 -15.609 1.00 0.00 O ATOM 885 CB GLU A 56 13.483 -3.524 -13.900 1.00 0.00 C ATOM 886 CG GLU A 56 13.680 -2.434 -14.919 1.00 0.00 C ATOM 887 CD GLU A 56 15.104 -1.921 -14.975 1.00 0.00 C ATOM 888 OE1 GLU A 56 15.640 -1.535 -13.916 1.00 0.00 O ATOM 889 OE2 GLU A 56 15.683 -1.878 -16.081 1.00 0.00 O ATOM 0 H GLU A 56 12.531 -5.374 -12.769 1.00 0.00 H new ATOM 0 HA GLU A 56 13.313 -5.048 -15.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.466 -3.459 -13.512 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.156 -3.343 -13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.397 -2.809 -15.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.011 -1.605 -14.689 1.00 0.00 H new ATOM 896 N PHE A 57 15.852 -5.387 -13.362 1.00 0.00 N ATOM 897 CA PHE A 57 17.269 -5.702 -13.320 1.00 0.00 C ATOM 898 C PHE A 57 17.517 -7.098 -13.876 1.00 0.00 C ATOM 899 O PHE A 57 18.525 -7.337 -14.535 1.00 0.00 O ATOM 900 CB PHE A 57 17.805 -5.587 -11.890 1.00 0.00 C ATOM 901 CG PHE A 57 19.293 -5.768 -11.787 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.155 -4.866 -12.392 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.826 -6.841 -11.096 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.523 -5.031 -12.305 1.00 0.00 C ATOM 905 CE2 PHE A 57 21.195 -7.012 -11.008 1.00 0.00 C ATOM 906 CZ PHE A 57 22.043 -6.104 -11.614 1.00 0.00 C ATOM 0 H PHE A 57 15.412 -5.289 -12.447 1.00 0.00 H new ATOM 0 HA PHE A 57 17.802 -4.983 -13.942 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.538 -4.609 -11.489 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.313 -6.333 -11.266 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.752 -4.025 -12.937 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.166 -7.552 -10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.185 -4.320 -12.778 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.601 -7.854 -10.467 1.00 0.00 H new ATOM 0 HZ PHE A 57 23.113 -6.235 -11.546 1.00 0.00 H new ATOM 916 N ARG A 58 16.582 -8.011 -13.638 1.00 0.00 N ATOM 917 CA ARG A 58 16.689 -9.364 -14.167 1.00 0.00 C ATOM 918 C ARG A 58 16.580 -9.366 -15.688 1.00 0.00 C ATOM 919 O ARG A 58 17.220 -10.180 -16.355 1.00 0.00 O ATOM 920 CB ARG A 58 15.627 -10.276 -13.547 1.00 0.00 C ATOM 921 CG ARG A 58 16.186 -11.206 -12.482 1.00 0.00 C ATOM 922 CD ARG A 58 16.637 -12.546 -13.064 1.00 0.00 C ATOM 923 NE ARG A 58 17.388 -12.403 -14.316 1.00 0.00 N ATOM 924 CZ ARG A 58 18.329 -13.258 -14.731 1.00 0.00 C ATOM 925 NH1 ARG A 58 18.724 -14.259 -13.955 1.00 0.00 N ATOM 926 NH2 ARG A 58 18.888 -13.102 -15.921 1.00 0.00 N ATOM 0 H ARG A 58 15.744 -7.839 -13.083 1.00 0.00 H new ATOM 0 HA ARG A 58 17.671 -9.753 -13.898 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.841 -9.662 -13.108 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.164 -10.871 -14.334 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.030 -10.724 -11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.427 -11.380 -11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 58 17.257 -13.064 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.762 -13.172 -13.241 1.00 0.00 H new ATOM 0 HE ARG A 58 17.179 -11.599 -14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 18.309 -14.383 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.442 -14.905 -14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.601 -12.329 -16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.606 -13.754 -16.237 1.00 0.00 H new ATOM 940 N LYS A 59 15.784 -8.454 -16.229 1.00 0.00 N ATOM 941 CA LYS A 59 15.682 -8.290 -17.673 1.00 0.00 C ATOM 942 C LYS A 59 16.973 -7.705 -18.220 1.00 0.00 C ATOM 943 O LYS A 59 17.482 -8.145 -19.251 1.00 0.00 O ATOM 944 CB LYS A 59 14.503 -7.384 -18.037 1.00 0.00 C ATOM 945 CG LYS A 59 13.151 -7.942 -17.627 1.00 0.00 C ATOM 946 CD LYS A 59 12.902 -9.304 -18.246 1.00 0.00 C ATOM 947 CE LYS A 59 11.517 -9.827 -17.910 1.00 0.00 C ATOM 948 NZ LYS A 59 11.262 -11.151 -18.535 1.00 0.00 N ATOM 0 H LYS A 59 15.199 -7.816 -15.690 1.00 0.00 H new ATOM 0 HA LYS A 59 15.512 -9.270 -18.119 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.644 -6.413 -17.563 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.505 -7.216 -19.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.103 -8.020 -16.541 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.364 -7.253 -17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.014 -9.238 -19.328 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.654 -10.009 -17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.412 -9.909 -16.828 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.766 -9.114 -18.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.307 -11.476 -18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.338 -11.067 -19.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.963 -11.838 -18.191 1.00 0.00 H new ATOM 962 N SER A 60 17.498 -6.713 -17.516 1.00 0.00 N ATOM 963 CA SER A 60 18.778 -6.115 -17.870 1.00 0.00 C ATOM 964 C SER A 60 19.885 -7.170 -17.815 1.00 0.00 C ATOM 965 O SER A 60 20.700 -7.293 -18.729 1.00 0.00 O ATOM 966 CB SER A 60 19.086 -4.954 -16.919 1.00 0.00 C ATOM 967 OG SER A 60 20.221 -4.225 -17.344 1.00 0.00 O ATOM 0 H SER A 60 17.056 -6.304 -16.693 1.00 0.00 H new ATOM 0 HA SER A 60 18.726 -5.728 -18.888 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.224 -4.289 -16.864 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.255 -5.340 -15.914 1.00 0.00 H new ATOM 0 HG SER A 60 20.391 -3.490 -16.718 1.00 0.00 H new ATOM 973 N THR A 61 19.877 -7.952 -16.747 1.00 0.00 N ATOM 974 CA THR A 61 20.834 -9.035 -16.571 1.00 0.00 C ATOM 975 C THR A 61 20.679 -10.079 -17.673 1.00 0.00 C ATOM 976 O THR A 61 21.663 -10.625 -18.152 1.00 0.00 O ATOM 977 CB THR A 61 20.663 -9.705 -15.192 1.00 0.00 C ATOM 978 OG1 THR A 61 20.766 -8.718 -14.159 1.00 0.00 O ATOM 979 CG2 THR A 61 21.713 -10.785 -14.967 1.00 0.00 C ATOM 0 H THR A 61 19.211 -7.855 -15.981 1.00 0.00 H new ATOM 0 HA THR A 61 21.834 -8.604 -16.629 1.00 0.00 H new ATOM 0 HB THR A 61 19.679 -10.172 -15.164 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.904 -8.265 -14.052 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.565 -11.238 -13.987 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.619 -11.550 -15.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.707 -10.341 -15.015 1.00 0.00 H new ATOM 1204 N ALA B 5 -27.846 15.127 8.780 1.00 0.00 N ATOM 1205 CA ALA B 5 -27.584 13.911 9.534 1.00 0.00 C ATOM 1206 C ALA B 5 -27.856 12.683 8.677 1.00 0.00 C ATOM 1207 O ALA B 5 -27.353 11.593 8.949 1.00 0.00 O ATOM 1208 CB ALA B 5 -28.427 13.879 10.800 1.00 0.00 C ATOM 0 HA ALA B 5 -26.533 13.902 9.821 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -28.219 12.963 11.353 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -28.183 14.741 11.421 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -29.484 13.911 10.534 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.650 12.878 7.634 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.968 11.809 6.706 1.00 0.00 C ATOM 1216 C GLU B 6 -27.745 11.494 5.858 1.00 0.00 C ATOM 1217 O GLU B 6 -27.297 10.348 5.788 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.134 12.216 5.797 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.200 13.061 6.483 1.00 0.00 C ATOM 1220 CD GLU B 6 -31.754 12.415 7.734 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -32.613 11.519 7.611 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -31.337 12.806 8.843 1.00 0.00 O ATOM 0 H GLU B 6 -29.086 13.772 7.411 1.00 0.00 H new ATOM 0 HA GLU B 6 -29.260 10.925 7.273 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -29.739 12.771 4.946 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.601 11.315 5.400 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -30.776 14.032 6.740 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -32.016 13.244 5.784 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.199 12.535 5.235 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.014 12.423 4.412 1.00 0.00 C ATOM 1231 C GLU B 7 -24.825 11.990 5.256 1.00 0.00 C ATOM 1232 O GLU B 7 -23.994 11.202 4.816 1.00 0.00 O ATOM 1233 CB GLU B 7 -25.716 13.766 3.743 1.00 0.00 C ATOM 1234 CG GLU B 7 -26.742 14.195 2.699 1.00 0.00 C ATOM 1235 CD GLU B 7 -28.120 14.441 3.279 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -28.263 15.359 4.113 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -29.064 13.711 2.904 1.00 0.00 O ATOM 0 H GLU B 7 -27.574 13.482 5.292 1.00 0.00 H new ATOM 0 HA GLU B 7 -26.191 11.671 3.643 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -25.656 14.535 4.513 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -24.736 13.712 3.270 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -26.394 15.105 2.210 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -26.811 13.426 1.930 1.00 0.00 H new ATOM 1244 N LEU B 8 -24.772 12.499 6.480 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.712 12.181 7.411 1.00 0.00 C ATOM 1246 C LEU B 8 -23.697 10.689 7.704 1.00 0.00 C ATOM 1247 O LEU B 8 -22.669 10.028 7.569 1.00 0.00 O ATOM 1248 CB LEU B 8 -23.933 12.978 8.700 1.00 0.00 C ATOM 1249 CG LEU B 8 -23.198 12.454 9.927 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -21.692 12.599 9.768 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -23.676 13.160 11.187 1.00 0.00 C ATOM 0 H LEU B 8 -25.468 13.146 6.851 1.00 0.00 H new ATOM 0 HA LEU B 8 -22.749 12.449 6.977 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -23.626 14.009 8.526 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -25.001 12.996 8.917 1.00 0.00 H new ATOM 0 HG LEU B 8 -23.425 11.392 10.023 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -21.194 12.217 10.659 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -21.362 12.033 8.897 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -21.440 13.651 9.634 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -23.137 12.769 12.050 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -23.490 14.230 11.097 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -24.744 12.987 11.318 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.854 10.168 8.074 1.00 0.00 N ATOM 1264 CA LYS B 9 -25.000 8.758 8.409 1.00 0.00 C ATOM 1265 C LYS B 9 -24.665 7.883 7.209 1.00 0.00 C ATOM 1266 O LYS B 9 -23.908 6.920 7.324 1.00 0.00 O ATOM 1267 CB LYS B 9 -26.435 8.488 8.865 1.00 0.00 C ATOM 1268 CG LYS B 9 -26.620 7.204 9.657 1.00 0.00 C ATOM 1269 CD LYS B 9 -25.984 7.298 11.033 1.00 0.00 C ATOM 1270 CE LYS B 9 -26.466 6.178 11.942 1.00 0.00 C ATOM 1271 NZ LYS B 9 -25.938 6.318 13.325 1.00 0.00 N ATOM 0 H LYS B 9 -25.717 10.706 8.151 1.00 0.00 H new ATOM 0 HA LYS B 9 -24.308 8.515 9.215 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -26.772 9.326 9.475 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -27.080 8.453 7.987 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -27.684 6.990 9.761 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -26.180 6.371 9.109 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -24.899 7.251 10.939 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -26.224 8.262 11.482 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -27.556 6.176 11.968 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -26.155 5.218 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -26.290 5.535 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -24.898 6.294 13.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -26.256 7.223 13.728 1.00 0.00 H new ATOM 1285 N ALA B 10 -25.220 8.234 6.059 1.00 0.00 N ATOM 1286 CA ALA B 10 -25.005 7.468 4.843 1.00 0.00 C ATOM 1287 C ALA B 10 -23.542 7.505 4.418 1.00 0.00 C ATOM 1288 O ALA B 10 -22.995 6.497 3.968 1.00 0.00 O ATOM 1289 CB ALA B 10 -25.893 7.993 3.726 1.00 0.00 C ATOM 0 H ALA B 10 -25.824 9.047 5.943 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.269 6.430 5.047 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.722 7.410 2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -26.939 7.906 4.021 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.656 9.039 3.534 1.00 0.00 H new ATOM 1295 N LYS B 11 -22.910 8.662 4.573 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.531 8.832 4.147 1.00 0.00 C ATOM 1297 C LYS B 11 -20.575 8.159 5.125 1.00 0.00 C ATOM 1298 O LYS B 11 -19.633 7.483 4.713 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.180 10.316 4.017 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.026 10.585 3.067 1.00 0.00 C ATOM 1301 CD LYS B 11 -20.419 10.265 1.636 1.00 0.00 C ATOM 1302 CE LYS B 11 -19.245 10.409 0.683 1.00 0.00 C ATOM 1303 NZ LYS B 11 -19.662 10.234 -0.732 1.00 0.00 N ATOM 0 H LYS B 11 -23.331 9.493 4.989 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.425 8.360 3.170 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -22.059 10.860 3.671 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -20.929 10.709 5.002 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.724 11.630 3.141 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -19.164 9.983 3.355 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -20.806 9.247 1.584 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -21.225 10.929 1.323 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -18.792 11.392 0.810 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.482 9.671 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -18.835 10.339 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -20.072 9.287 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -20.372 10.954 -0.976 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.822 8.342 6.417 1.00 0.00 N ATOM 1318 CA LEU B 12 -19.986 7.739 7.445 1.00 0.00 C ATOM 1319 C LEU B 12 -20.030 6.222 7.329 1.00 0.00 C ATOM 1320 O LEU B 12 -19.001 5.551 7.402 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.445 8.177 8.839 1.00 0.00 C ATOM 1322 CG LEU B 12 -19.619 7.630 10.005 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -18.179 8.115 9.915 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -20.243 8.040 11.332 1.00 0.00 C ATOM 0 H LEU B 12 -21.594 8.903 6.776 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.960 8.076 7.300 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -20.427 9.266 8.883 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.482 7.869 8.975 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.615 6.542 9.947 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -17.607 7.716 10.753 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.738 7.773 8.979 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -18.159 9.204 9.949 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -19.645 7.644 12.153 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -20.275 9.128 11.398 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -21.256 7.642 11.396 1.00 0.00 H new ATOM 1336 N LYS B 13 -21.233 5.695 7.132 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.434 4.271 6.968 1.00 0.00 C ATOM 1338 C LYS B 13 -20.689 3.757 5.738 1.00 0.00 C ATOM 1339 O LYS B 13 -20.105 2.670 5.757 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.926 4.002 6.829 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.340 2.604 7.230 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.848 2.461 7.192 1.00 0.00 C ATOM 1343 CE LYS B 13 -25.381 2.546 5.771 1.00 0.00 C ATOM 1344 NZ LYS B 13 -24.947 1.392 4.940 1.00 0.00 N ATOM 0 H LYS B 13 -22.090 6.246 7.083 1.00 0.00 H new ATOM 0 HA LYS B 13 -21.041 3.748 7.840 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.473 4.721 7.440 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.221 4.174 5.794 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -22.884 1.877 6.558 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.974 2.384 8.233 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -25.135 1.506 7.633 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -25.304 3.243 7.800 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -26.470 2.586 5.795 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -25.038 3.473 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -25.512 1.360 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -23.941 1.498 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -25.083 0.510 5.473 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.702 4.557 4.680 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.065 4.191 3.422 1.00 0.00 C ATOM 1360 C LYS B 14 -18.543 4.169 3.574 1.00 0.00 C ATOM 1361 O LYS B 14 -17.884 3.220 3.152 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.477 5.175 2.321 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.226 4.662 0.910 1.00 0.00 C ATOM 1364 CD LYS B 14 -21.044 3.413 0.623 1.00 0.00 C ATOM 1365 CE LYS B 14 -20.890 2.955 -0.819 1.00 0.00 C ATOM 1366 NZ LYS B 14 -21.633 1.694 -1.082 1.00 0.00 N ATOM 0 H LYS B 14 -21.152 5.473 4.669 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.394 3.190 3.143 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.537 5.405 2.430 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.933 6.109 2.460 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.479 5.439 0.188 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -19.166 4.442 0.784 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -20.732 2.612 1.294 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -22.095 3.612 0.831 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -21.251 3.736 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -19.833 2.807 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -21.503 1.415 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -21.271 0.942 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -22.645 1.842 -0.894 1.00 0.00 H new ATOM 1380 N LEU B 15 -17.997 5.216 4.190 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.555 5.314 4.408 1.00 0.00 C ATOM 1382 C LEU B 15 -16.065 4.214 5.340 1.00 0.00 C ATOM 1383 O LEU B 15 -15.011 3.617 5.110 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.184 6.689 4.979 1.00 0.00 C ATOM 1385 CG LEU B 15 -15.792 7.756 3.950 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -14.560 7.321 3.171 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -16.944 8.050 3.001 1.00 0.00 C ATOM 0 H LEU B 15 -18.531 6.008 4.547 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.066 5.191 3.442 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -17.030 7.062 5.556 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.355 6.561 5.675 1.00 0.00 H new ATOM 0 HG LEU B 15 -15.556 8.673 4.490 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.297 8.091 2.446 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -13.728 7.172 3.859 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -14.770 6.388 2.649 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -16.638 8.810 2.282 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -17.220 7.139 2.470 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -17.800 8.412 3.570 1.00 0.00 H new ATOM 1399 N ASN B 16 -16.836 3.944 6.389 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.490 2.899 7.347 1.00 0.00 C ATOM 1401 C ASN B 16 -16.405 1.546 6.641 1.00 0.00 C ATOM 1402 O ASN B 16 -15.436 0.805 6.808 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.528 2.840 8.473 1.00 0.00 C ATOM 1404 CG ASN B 16 -17.025 2.095 9.699 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -16.141 1.242 9.611 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -17.595 2.399 10.854 1.00 0.00 N ATOM 0 H ASN B 16 -17.705 4.435 6.597 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.518 3.134 7.781 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -17.806 3.855 8.759 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.431 2.354 8.103 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -17.305 1.921 11.707 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -18.325 3.111 10.891 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.415 1.244 5.833 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.455 -0.012 5.095 1.00 0.00 C ATOM 1415 C ALA B 17 -16.279 -0.116 4.130 1.00 0.00 C ATOM 1416 O ALA B 17 -15.611 -1.147 4.065 1.00 0.00 O ATOM 1417 CB ALA B 17 -18.773 -0.146 4.344 1.00 0.00 C ATOM 0 H ALA B 17 -18.218 1.853 5.673 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.378 -0.829 5.812 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -18.786 -1.089 3.798 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.600 -0.126 5.054 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -18.877 0.681 3.642 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.023 0.967 3.404 1.00 0.00 N ATOM 1424 CA GLN B 18 -14.928 1.013 2.442 1.00 0.00 C ATOM 1425 C GLN B 18 -13.588 0.747 3.128 1.00 0.00 C ATOM 1426 O GLN B 18 -12.830 -0.131 2.709 1.00 0.00 O ATOM 1427 CB GLN B 18 -14.911 2.375 1.743 1.00 0.00 C ATOM 1428 CG GLN B 18 -13.801 2.530 0.717 1.00 0.00 C ATOM 1429 CD GLN B 18 -13.835 3.881 0.030 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -13.220 4.842 0.489 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -14.549 3.963 -1.081 1.00 0.00 N ATOM 0 H GLN B 18 -16.563 1.830 3.465 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.084 0.232 1.698 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -15.871 2.531 1.251 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -14.808 3.157 2.496 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -12.836 2.398 1.207 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -13.889 1.742 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -15.045 3.143 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -14.603 4.846 -1.588 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.315 1.488 4.196 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.059 1.354 4.926 1.00 0.00 C ATOM 1442 C ALA B 19 -11.900 -0.047 5.511 1.00 0.00 C ATOM 1443 O ALA B 19 -10.800 -0.595 5.547 1.00 0.00 O ATOM 1444 CB ALA B 19 -11.978 2.397 6.030 1.00 0.00 C ATOM 0 H ALA B 19 -13.949 2.190 4.577 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.244 1.516 4.221 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.036 2.286 6.567 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.031 3.394 5.593 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -12.809 2.259 6.722 1.00 0.00 H new ATOM 1450 N THR B 20 -13.006 -0.624 5.956 1.00 0.00 N ATOM 1451 CA THR B 20 -12.986 -1.953 6.549 1.00 0.00 C ATOM 1452 C THR B 20 -12.781 -3.035 5.485 1.00 0.00 C ATOM 1453 O THR B 20 -12.040 -3.996 5.703 1.00 0.00 O ATOM 1454 CB THR B 20 -14.287 -2.220 7.333 1.00 0.00 C ATOM 1455 OG1 THR B 20 -14.483 -1.184 8.306 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.247 -3.571 8.035 1.00 0.00 C ATOM 0 H THR B 20 -13.929 -0.193 5.918 1.00 0.00 H new ATOM 0 HA THR B 20 -12.144 -1.992 7.240 1.00 0.00 H new ATOM 0 HB THR B 20 -15.113 -2.229 6.622 1.00 0.00 H new ATOM 0 HG1 THR B 20 -15.049 -0.481 7.925 1.00 0.00 H new ATOM 0 HG21 THR B 20 -15.179 -3.727 8.578 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.121 -4.362 7.295 1.00 0.00 H new ATOM 0 HG23 THR B 20 -13.412 -3.593 8.735 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.413 -2.870 4.330 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.274 -3.832 3.243 1.00 0.00 C ATOM 1466 C ALA B 21 -11.841 -3.849 2.718 1.00 0.00 C ATOM 1467 O ALA B 21 -11.232 -4.911 2.575 1.00 0.00 O ATOM 1468 CB ALA B 21 -14.253 -3.513 2.121 1.00 0.00 C ATOM 0 H ALA B 21 -14.025 -2.081 4.121 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.506 -4.824 3.631 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -14.136 -4.241 1.318 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.272 -3.557 2.504 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -14.052 -2.513 1.737 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.295 -2.664 2.467 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.945 -2.540 1.933 1.00 0.00 C ATOM 1476 C LEU B 22 -8.894 -2.981 2.950 1.00 0.00 C ATOM 1477 O LEU B 22 -7.814 -3.437 2.571 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.667 -1.105 1.476 1.00 0.00 C ATOM 1479 CG LEU B 22 -10.070 -0.778 0.031 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -9.352 -1.697 -0.947 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.579 -0.878 -0.156 1.00 0.00 C ATOM 0 H LEU B 22 -11.768 -1.774 2.625 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.878 -3.202 1.070 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -10.192 -0.422 2.144 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.601 -0.906 1.591 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.772 0.250 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.651 -1.449 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -8.275 -1.568 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.615 -2.733 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.834 -0.641 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.908 -1.891 0.076 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -12.076 -0.174 0.511 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.200 -2.849 4.237 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.266 -3.260 5.273 1.00 0.00 C ATOM 1495 C LYS B 23 -8.136 -4.783 5.296 1.00 0.00 C ATOM 1496 O LYS B 23 -7.064 -5.319 5.579 1.00 0.00 O ATOM 1497 CB LYS B 23 -8.699 -2.716 6.641 1.00 0.00 C ATOM 1498 CG LYS B 23 -9.568 -3.651 7.468 1.00 0.00 C ATOM 1499 CD LYS B 23 -10.037 -2.979 8.747 1.00 0.00 C ATOM 1500 CE LYS B 23 -10.784 -3.944 9.653 1.00 0.00 C ATOM 1501 NZ LYS B 23 -9.887 -4.985 10.226 1.00 0.00 N ATOM 0 H LYS B 23 -10.079 -2.464 4.583 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.286 -2.841 5.046 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.806 -2.474 7.216 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.242 -1.783 6.487 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -10.431 -3.963 6.881 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -9.006 -4.552 7.713 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.177 -2.572 9.280 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.685 -2.138 8.499 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -11.256 -3.388 10.463 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.583 -4.425 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.384 -5.491 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -9.616 -5.658 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -9.033 -4.534 10.612 1.00 0.00 H new ATOM 1515 N MET B 24 -9.227 -5.472 4.970 1.00 0.00 N ATOM 1516 CA MET B 24 -9.213 -6.927 4.890 1.00 0.00 C ATOM 1517 C MET B 24 -8.383 -7.366 3.697 1.00 0.00 C ATOM 1518 O MET B 24 -7.577 -8.295 3.793 1.00 0.00 O ATOM 1519 CB MET B 24 -10.630 -7.485 4.754 1.00 0.00 C ATOM 1520 CG MET B 24 -11.549 -7.150 5.915 1.00 0.00 C ATOM 1521 SD MET B 24 -13.193 -7.861 5.708 1.00 0.00 S ATOM 1522 CE MET B 24 -14.025 -7.209 7.151 1.00 0.00 C ATOM 0 H MET B 24 -10.129 -5.046 4.758 1.00 0.00 H new ATOM 0 HA MET B 24 -8.776 -7.314 5.810 1.00 0.00 H new ATOM 0 HB2 MET B 24 -11.072 -7.102 3.834 1.00 0.00 H new ATOM 0 HB3 MET B 24 -10.573 -8.569 4.653 1.00 0.00 H new ATOM 0 HG2 MET B 24 -11.110 -7.518 6.842 1.00 0.00 H new ATOM 0 HG3 MET B 24 -11.632 -6.067 6.010 1.00 0.00 H new ATOM 0 HE1 MET B 24 -14.452 -8.030 7.727 1.00 0.00 H new ATOM 0 HE2 MET B 24 -13.310 -6.666 7.769 1.00 0.00 H new ATOM 0 HE3 MET B 24 -14.821 -6.533 6.838 1.00 0.00 H new ATOM 1532 N ASP B 25 -8.582 -6.678 2.577 1.00 0.00 N ATOM 1533 CA ASP B 25 -7.842 -6.960 1.353 1.00 0.00 C ATOM 1534 C ASP B 25 -6.348 -6.809 1.583 1.00 0.00 C ATOM 1535 O ASP B 25 -5.562 -7.676 1.206 1.00 0.00 O ATOM 1536 CB ASP B 25 -8.284 -6.025 0.225 1.00 0.00 C ATOM 1537 CG ASP B 25 -9.075 -6.735 -0.854 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -8.463 -7.483 -1.645 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -10.308 -6.535 -0.930 1.00 0.00 O ATOM 0 H ASP B 25 -9.255 -5.916 2.493 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.055 -7.989 1.064 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -8.890 -5.221 0.643 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -7.404 -5.562 -0.222 1.00 0.00 H new ATOM 1544 N LEU B 26 -5.966 -5.706 2.220 1.00 0.00 N ATOM 1545 CA LEU B 26 -4.561 -5.421 2.493 1.00 0.00 C ATOM 1546 C LEU B 26 -3.963 -6.458 3.439 1.00 0.00 C ATOM 1547 O LEU B 26 -2.910 -7.030 3.158 1.00 0.00 O ATOM 1548 CB LEU B 26 -4.410 -4.024 3.097 1.00 0.00 C ATOM 1549 CG LEU B 26 -2.967 -3.571 3.339 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.209 -3.461 2.022 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -2.949 -2.247 4.084 1.00 0.00 C ATOM 0 H LEU B 26 -6.612 -4.993 2.558 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.022 -5.465 1.547 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -4.893 -3.305 2.435 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.947 -3.996 4.045 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.467 -4.320 3.954 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.186 -3.138 2.217 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.195 -4.433 1.528 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.703 -2.734 1.378 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.917 -1.937 4.249 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.465 -1.490 3.493 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.451 -2.363 5.044 1.00 0.00 H new ATOM 1563 N HIS B 27 -4.649 -6.704 4.551 1.00 0.00 N ATOM 1564 CA HIS B 27 -4.164 -7.637 5.563 1.00 0.00 C ATOM 1565 C HIS B 27 -3.956 -9.031 4.975 1.00 0.00 C ATOM 1566 O HIS B 27 -2.942 -9.677 5.238 1.00 0.00 O ATOM 1567 CB HIS B 27 -5.146 -7.694 6.742 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.742 -8.640 7.835 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -4.078 -8.243 8.978 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -4.926 -9.975 7.957 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -3.874 -9.294 9.751 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -4.378 -10.354 9.153 1.00 0.00 N ATOM 0 H HIS B 27 -5.544 -6.269 4.775 1.00 0.00 H new ATOM 0 HA HIS B 27 -3.199 -7.278 5.922 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.249 -6.694 7.163 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.128 -7.986 6.369 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -3.790 -7.288 9.192 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.415 -10.622 7.243 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -3.378 -9.286 10.710 1.00 0.00 H new ATOM 1581 N ASP B 28 -4.909 -9.482 4.170 1.00 0.00 N ATOM 1582 CA ASP B 28 -4.849 -10.824 3.599 1.00 0.00 C ATOM 1583 C ASP B 28 -3.806 -10.900 2.488 1.00 0.00 C ATOM 1584 O ASP B 28 -3.088 -11.893 2.374 1.00 0.00 O ATOM 1585 CB ASP B 28 -6.221 -11.249 3.072 1.00 0.00 C ATOM 1586 CG ASP B 28 -6.213 -12.655 2.503 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -6.126 -13.624 3.288 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -6.315 -12.802 1.267 1.00 0.00 O ATOM 0 H ASP B 28 -5.730 -8.942 3.898 1.00 0.00 H new ATOM 0 HA ASP B 28 -4.553 -11.512 4.391 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -6.951 -11.191 3.879 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.543 -10.550 2.300 1.00 0.00 H new ATOM 1593 N LEU B 29 -3.714 -9.845 1.684 1.00 0.00 N ATOM 1594 CA LEU B 29 -2.749 -9.798 0.589 1.00 0.00 C ATOM 1595 C LEU B 29 -1.323 -9.771 1.133 1.00 0.00 C ATOM 1596 O LEU B 29 -0.422 -10.388 0.572 1.00 0.00 O ATOM 1597 CB LEU B 29 -3.000 -8.571 -0.291 1.00 0.00 C ATOM 1598 CG LEU B 29 -2.162 -8.502 -1.567 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -2.471 -9.684 -2.472 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -2.404 -7.187 -2.296 1.00 0.00 C ATOM 0 H LEU B 29 -4.295 -9.011 1.770 1.00 0.00 H new ATOM 0 HA LEU B 29 -2.874 -10.696 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.054 -8.551 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.808 -7.675 0.299 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.109 -8.549 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.865 -9.618 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.243 -10.612 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.527 -9.670 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.799 -7.156 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.458 -7.107 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.129 -6.355 -1.647 1.00 0.00 H new ATOM 1612 N ALA B 30 -1.137 -9.066 2.242 1.00 0.00 N ATOM 1613 CA ALA B 30 0.166 -8.978 2.889 1.00 0.00 C ATOM 1614 C ALA B 30 0.572 -10.320 3.488 1.00 0.00 C ATOM 1615 O ALA B 30 1.755 -10.602 3.663 1.00 0.00 O ATOM 1616 CB ALA B 30 0.151 -7.905 3.963 1.00 0.00 C ATOM 0 H ALA B 30 -1.876 -8.545 2.714 1.00 0.00 H new ATOM 0 HA ALA B 30 0.902 -8.708 2.132 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.131 -7.851 4.437 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -0.087 -6.942 3.512 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -0.602 -8.151 4.712 1.00 0.00 H new ATOM 1622 N GLU B 31 -0.411 -11.138 3.820 1.00 0.00 N ATOM 1623 CA GLU B 31 -0.139 -12.465 4.343 1.00 0.00 C ATOM 1624 C GLU B 31 0.089 -13.440 3.192 1.00 0.00 C ATOM 1625 O GLU B 31 0.733 -14.477 3.354 1.00 0.00 O ATOM 1626 CB GLU B 31 -1.301 -12.941 5.215 1.00 0.00 C ATOM 1627 CG GLU B 31 -0.979 -14.179 6.036 1.00 0.00 C ATOM 1628 CD GLU B 31 -2.193 -14.747 6.738 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -2.728 -14.083 7.649 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -2.617 -15.865 6.383 1.00 0.00 O ATOM 0 H GLU B 31 -1.401 -10.908 3.737 1.00 0.00 H new ATOM 0 HA GLU B 31 0.761 -12.424 4.957 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.593 -12.135 5.888 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.160 -13.151 4.578 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -0.552 -14.941 5.384 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -0.219 -13.931 6.777 1.00 0.00 H new ATOM 1637 N ASP B 32 -0.432 -13.079 2.025 1.00 0.00 N ATOM 1638 CA ASP B 32 -0.363 -13.923 0.835 1.00 0.00 C ATOM 1639 C ASP B 32 0.719 -13.399 -0.111 1.00 0.00 C ATOM 1640 O ASP B 32 0.681 -13.640 -1.315 1.00 0.00 O ATOM 1641 CB ASP B 32 -1.729 -13.941 0.140 1.00 0.00 C ATOM 1642 CG ASP B 32 -1.961 -15.194 -0.683 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -1.971 -16.300 -0.099 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -2.160 -15.083 -1.910 1.00 0.00 O ATOM 0 H ASP B 32 -0.915 -12.193 1.876 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.104 -14.942 1.123 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -2.514 -13.857 0.892 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -1.812 -13.068 -0.507 1.00 0.00 H new ATOM 1649 N LEU B 33 1.679 -12.684 0.479 1.00 0.00 N ATOM 1650 CA LEU B 33 2.807 -12.054 -0.220 1.00 0.00 C ATOM 1651 C LEU B 33 3.516 -12.981 -1.227 1.00 0.00 C ATOM 1652 O LEU B 33 3.266 -14.188 -1.254 1.00 0.00 O ATOM 1653 CB LEU B 33 3.772 -11.442 0.792 1.00 0.00 C ATOM 1654 CG LEU B 33 3.453 -9.986 1.134 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.440 -9.441 2.148 1.00 0.00 C ATOM 1656 CD2 LEU B 33 3.458 -9.132 -0.130 1.00 0.00 C ATOM 0 H LEU B 33 1.696 -12.521 1.486 1.00 0.00 H new ATOM 0 HA LEU B 33 2.395 -11.255 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.752 -12.035 1.706 1.00 0.00 H new ATOM 0 HB3 LEU B 33 4.786 -11.501 0.397 1.00 0.00 H new ATOM 0 HG LEU B 33 2.458 -9.948 1.577 1.00 0.00 H new ATOM 0 HD11 LEU B 33 4.193 -8.404 2.375 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.389 -10.035 3.061 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.449 -9.492 1.738 1.00 0.00 H new ATOM 0 HD21 LEU B 33 3.229 -8.098 0.129 1.00 0.00 H new ATOM 0 HD22 LEU B 33 4.441 -9.180 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.707 -9.507 -0.825 1.00 0.00 H new ATOM 1668 N PRO B 34 4.494 -12.446 -2.017 1.00 0.00 N ATOM 1669 CA PRO B 34 4.792 -12.825 -3.386 1.00 0.00 C ATOM 1670 C PRO B 34 3.694 -13.528 -4.193 1.00 0.00 C ATOM 1671 O PRO B 34 3.973 -14.188 -5.194 1.00 0.00 O ATOM 1672 CB PRO B 34 6.064 -13.600 -3.130 1.00 0.00 C ATOM 1673 CG PRO B 34 6.761 -12.695 -2.123 1.00 0.00 C ATOM 1674 CD PRO B 34 5.682 -11.741 -1.579 1.00 0.00 C ATOM 0 HA PRO B 34 4.886 -11.988 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO B 34 5.867 -14.593 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO B 34 6.653 -13.737 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO B 34 7.205 -13.280 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO B 34 7.570 -12.138 -2.596 1.00 0.00 H new ATOM 0 HD2 PRO B 34 5.728 -11.631 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO B 34 5.755 -10.740 -2.004 1.00 0.00 H new ATOM 1682 N THR B 35 2.457 -13.371 -3.756 1.00 0.00 N ATOM 1683 CA THR B 35 1.301 -13.588 -4.601 1.00 0.00 C ATOM 1684 C THR B 35 0.402 -12.357 -4.492 1.00 0.00 C ATOM 1685 O THR B 35 0.189 -11.835 -3.399 1.00 0.00 O ATOM 1686 CB THR B 35 0.519 -14.848 -4.203 1.00 0.00 C ATOM 1687 OG1 THR B 35 1.222 -15.556 -3.168 1.00 0.00 O ATOM 1688 CG2 THR B 35 0.328 -15.762 -5.405 1.00 0.00 C ATOM 0 H THR B 35 2.228 -13.089 -2.803 1.00 0.00 H new ATOM 0 HA THR B 35 1.637 -13.739 -5.627 1.00 0.00 H new ATOM 0 HB THR B 35 -0.460 -14.542 -3.834 1.00 0.00 H new ATOM 0 HG1 THR B 35 1.165 -15.051 -2.330 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.228 -16.649 -5.103 1.00 0.00 H new ATOM 0 HG22 THR B 35 -0.226 -15.233 -6.180 1.00 0.00 H new ATOM 0 HG23 THR B 35 1.302 -16.059 -5.794 1.00 0.00 H new ATOM 1696 N GLY B 36 -0.087 -11.869 -5.619 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.850 -10.631 -5.621 1.00 0.00 C ATOM 1698 C GLY B 36 0.028 -9.402 -5.404 1.00 0.00 C ATOM 1699 O GLY B 36 -0.478 -8.296 -5.197 1.00 0.00 O ATOM 0 H GLY B 36 0.028 -12.304 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -1.376 -10.534 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.608 -10.674 -4.839 1.00 0.00 H new ATOM 1703 N TRP B 37 1.346 -9.603 -5.462 1.00 0.00 N ATOM 1704 CA TRP B 37 2.327 -8.532 -5.262 1.00 0.00 C ATOM 1705 C TRP B 37 2.092 -7.346 -6.201 1.00 0.00 C ATOM 1706 O TRP B 37 2.395 -6.203 -5.859 1.00 0.00 O ATOM 1707 CB TRP B 37 3.750 -9.080 -5.468 1.00 0.00 C ATOM 1708 CG TRP B 37 4.049 -9.480 -6.886 1.00 0.00 C ATOM 1709 CD1 TRP B 37 4.691 -8.725 -7.827 1.00 0.00 C ATOM 1710 CD2 TRP B 37 3.711 -10.717 -7.529 1.00 0.00 C ATOM 1711 NE1 TRP B 37 4.771 -9.415 -9.012 1.00 0.00 N ATOM 1712 CE2 TRP B 37 4.180 -10.640 -8.854 1.00 0.00 C ATOM 1713 CE3 TRP B 37 3.059 -11.881 -7.116 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 4.017 -11.682 -9.764 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 2.899 -12.915 -8.021 1.00 0.00 C ATOM 1716 CH2 TRP B 37 3.376 -12.808 -9.331 1.00 0.00 C ATOM 0 H TRP B 37 1.765 -10.514 -5.649 1.00 0.00 H new ATOM 0 HA TRP B 37 2.209 -8.171 -4.240 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.469 -8.323 -5.155 1.00 0.00 H new ATOM 0 HB3 TRP B 37 3.894 -9.944 -4.819 1.00 0.00 H new ATOM 0 HD1 TRP B 37 5.079 -7.731 -7.663 1.00 0.00 H new ATOM 0 HE1 TRP B 37 5.201 -9.071 -9.870 1.00 0.00 H new ATOM 0 HE3 TRP B 37 2.686 -11.972 -6.107 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 4.385 -11.602 -10.776 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 2.397 -13.820 -7.711 1.00 0.00 H new ATOM 0 HH2 TRP B 37 3.235 -13.632 -10.014 1.00 0.00 H new ATOM 1727 N ASN B 38 1.540 -7.617 -7.374 1.00 0.00 N ATOM 1728 CA ASN B 38 1.336 -6.582 -8.381 1.00 0.00 C ATOM 1729 C ASN B 38 0.159 -5.685 -7.992 1.00 0.00 C ATOM 1730 O ASN B 38 0.026 -4.560 -8.465 1.00 0.00 O ATOM 1731 CB ASN B 38 1.088 -7.243 -9.742 1.00 0.00 C ATOM 1732 CG ASN B 38 1.325 -6.322 -10.930 1.00 0.00 C ATOM 1733 OD1 ASN B 38 1.140 -5.108 -10.856 1.00 0.00 O ATOM 1734 ND2 ASN B 38 1.730 -6.903 -12.047 1.00 0.00 N ATOM 0 H ASN B 38 1.224 -8.546 -7.654 1.00 0.00 H new ATOM 0 HA ASN B 38 2.227 -5.957 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.737 -8.114 -9.835 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.061 -7.606 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.899 -6.342 -12.882 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.874 -7.912 -12.074 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.674 -6.185 -7.093 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.894 -5.489 -6.706 1.00 0.00 C ATOM 1743 C ARG B 39 -1.716 -4.789 -5.358 1.00 0.00 C ATOM 1744 O ARG B 39 -2.646 -4.176 -4.835 1.00 0.00 O ATOM 1745 CB ARG B 39 -3.049 -6.492 -6.645 1.00 0.00 C ATOM 1746 CG ARG B 39 -4.422 -5.867 -6.800 1.00 0.00 C ATOM 1747 CD ARG B 39 -5.496 -6.939 -6.894 1.00 0.00 C ATOM 1748 NE ARG B 39 -6.793 -6.396 -7.285 1.00 0.00 N ATOM 1749 CZ ARG B 39 -7.756 -7.121 -7.861 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -7.559 -8.411 -8.120 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -8.911 -6.553 -8.182 1.00 0.00 N ATOM 0 H ARG B 39 -0.528 -7.074 -6.615 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.120 -4.724 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.910 -7.237 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.008 -7.020 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.627 -5.214 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.444 -5.244 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.189 -7.694 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.591 -7.440 -5.931 1.00 0.00 H new ATOM 0 HE ARG B 39 -6.974 -5.408 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.670 -8.850 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.297 -8.961 -8.560 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.064 -5.563 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.647 -7.106 -8.622 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.506 -4.872 -4.815 1.00 0.00 N ATOM 1766 CA ILE B 40 -0.194 -4.292 -3.507 1.00 0.00 C ATOM 1767 C ILE B 40 -0.509 -2.792 -3.455 1.00 0.00 C ATOM 1768 O ILE B 40 -1.198 -2.321 -2.549 1.00 0.00 O ATOM 1769 CB ILE B 40 1.293 -4.512 -3.144 1.00 0.00 C ATOM 1770 CG1 ILE B 40 1.560 -5.989 -2.845 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.713 -3.649 -1.957 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.010 -6.293 -2.523 1.00 0.00 C ATOM 0 H ILE B 40 0.283 -5.339 -5.262 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.826 -4.803 -2.781 1.00 0.00 H new ATOM 0 HB ILE B 40 1.890 -4.212 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.938 -6.299 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.255 -6.586 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.764 -3.829 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.571 -2.597 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.105 -3.904 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.122 -7.358 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE B 40 3.637 -6.015 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.315 -5.724 -1.645 1.00 0.00 H new ATOM 1784 N MET B 41 -0.009 -2.054 -4.439 1.00 0.00 N ATOM 1785 CA MET B 41 -0.154 -0.601 -4.458 1.00 0.00 C ATOM 1786 C MET B 41 -1.618 -0.193 -4.614 1.00 0.00 C ATOM 1787 O MET B 41 -2.055 0.800 -4.033 1.00 0.00 O ATOM 1788 CB MET B 41 0.697 -0.002 -5.584 1.00 0.00 C ATOM 1789 CG MET B 41 0.638 1.518 -5.653 1.00 0.00 C ATOM 1790 SD MET B 41 1.781 2.208 -6.868 1.00 0.00 S ATOM 1791 CE MET B 41 3.357 1.794 -6.126 1.00 0.00 C ATOM 0 H MET B 41 0.501 -2.437 -5.235 1.00 0.00 H new ATOM 0 HA MET B 41 0.198 -0.210 -3.503 1.00 0.00 H new ATOM 0 HB2 MET B 41 1.733 -0.311 -5.448 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.364 -0.413 -6.537 1.00 0.00 H new ATOM 0 HG2 MET B 41 -0.378 1.827 -5.900 1.00 0.00 H new ATOM 0 HG3 MET B 41 0.867 1.931 -4.670 1.00 0.00 H new ATOM 0 HE1 MET B 41 4.101 1.649 -6.909 1.00 0.00 H new ATOM 0 HE2 MET B 41 3.674 2.604 -5.470 1.00 0.00 H new ATOM 0 HE3 MET B 41 3.256 0.876 -5.547 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.370 -0.976 -5.377 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.790 -0.714 -5.593 1.00 0.00 C ATOM 1803 C GLU B 42 -4.547 -0.715 -4.279 1.00 0.00 C ATOM 1804 O GLU B 42 -5.248 0.240 -3.954 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.395 -1.779 -6.503 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.875 -1.570 -6.776 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.504 -2.749 -7.478 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -6.984 -3.674 -6.785 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.537 -2.750 -8.722 1.00 0.00 O ATOM 0 H GLU B 42 -2.019 -1.803 -5.860 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.876 0.267 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.856 -1.786 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.252 -2.759 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.394 -1.393 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.006 -0.676 -7.385 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.413 -1.806 -3.544 1.00 0.00 N ATOM 1817 CA VAL B 43 -5.090 -1.944 -2.264 1.00 0.00 C ATOM 1818 C VAL B 43 -4.683 -0.818 -1.320 1.00 0.00 C ATOM 1819 O VAL B 43 -5.534 -0.112 -0.783 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.779 -3.302 -1.604 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.581 -3.470 -0.325 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.060 -4.450 -2.566 1.00 0.00 C ATOM 0 H VAL B 43 -3.843 -2.609 -3.810 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.162 -1.889 -2.456 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.719 -3.322 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -5.348 -4.434 0.126 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.326 -2.672 0.372 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.646 -3.424 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -4.833 -5.398 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.111 -4.433 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.437 -4.341 -3.454 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.376 -0.638 -1.166 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.830 0.378 -0.273 1.00 0.00 C ATOM 1834 C ALA B 44 -3.381 1.763 -0.593 1.00 0.00 C ATOM 1835 O ALA B 44 -3.660 2.551 0.310 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.318 0.385 -0.366 1.00 0.00 C ATOM 0 H ALA B 44 -2.669 -1.188 -1.653 1.00 0.00 H new ATOM 0 HA ALA B 44 -3.132 0.129 0.744 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.916 1.146 0.303 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.931 -0.593 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -1.017 0.607 -1.390 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.522 2.045 -1.885 1.00 0.00 N ATOM 1843 CA GLU B 45 -4.120 3.285 -2.354 1.00 0.00 C ATOM 1844 C GLU B 45 -5.462 3.542 -1.683 1.00 0.00 C ATOM 1845 O GLU B 45 -5.638 4.525 -0.960 1.00 0.00 O ATOM 1846 CB GLU B 45 -4.335 3.194 -3.861 1.00 0.00 C ATOM 1847 CG GLU B 45 -3.197 3.727 -4.704 1.00 0.00 C ATOM 1848 CD GLU B 45 -3.485 3.573 -6.181 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -4.630 3.859 -6.600 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -2.583 3.137 -6.926 1.00 0.00 O ATOM 0 H GLU B 45 -3.224 1.419 -2.633 1.00 0.00 H new ATOM 0 HA GLU B 45 -3.446 4.105 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -4.505 2.150 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -5.243 3.740 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -3.032 4.779 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -2.278 3.197 -4.454 1.00 0.00 H new ATOM 1857 N LYS B 46 -6.395 2.633 -1.911 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.765 2.814 -1.468 1.00 0.00 C ATOM 1859 C LYS B 46 -7.869 2.683 0.049 1.00 0.00 C ATOM 1860 O LYS B 46 -8.673 3.368 0.674 1.00 0.00 O ATOM 1861 CB LYS B 46 -8.699 1.816 -2.171 1.00 0.00 C ATOM 1862 CG LYS B 46 -8.960 2.125 -3.648 1.00 0.00 C ATOM 1863 CD LYS B 46 -7.704 1.986 -4.502 1.00 0.00 C ATOM 1864 CE LYS B 46 -7.978 2.282 -5.969 1.00 0.00 C ATOM 1865 NZ LYS B 46 -6.745 2.182 -6.802 1.00 0.00 N ATOM 0 H LYS B 46 -6.225 1.756 -2.404 1.00 0.00 H new ATOM 0 HA LYS B 46 -8.079 3.822 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -8.269 0.817 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -9.652 1.795 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.730 1.452 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.349 3.139 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -6.937 2.666 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -7.308 0.975 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.727 1.585 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.399 3.283 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -7.007 2.155 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -6.138 3.008 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -6.229 1.314 -6.555 1.00 0.00 H new ATOM 1879 N THR B 47 -7.044 1.820 0.636 1.00 0.00 N ATOM 1880 CA THR B 47 -7.020 1.654 2.083 1.00 0.00 C ATOM 1881 C THR B 47 -6.584 2.948 2.773 1.00 0.00 C ATOM 1882 O THR B 47 -7.239 3.416 3.708 1.00 0.00 O ATOM 1883 CB THR B 47 -6.076 0.503 2.496 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.423 -0.690 1.784 1.00 0.00 O ATOM 1885 CG2 THR B 47 -6.154 0.239 3.993 1.00 0.00 C ATOM 0 H THR B 47 -6.385 1.227 0.132 1.00 0.00 H new ATOM 0 HA THR B 47 -8.033 1.407 2.400 1.00 0.00 H new ATOM 0 HB THR B 47 -5.056 0.798 2.249 1.00 0.00 H new ATOM 0 HG1 THR B 47 -6.139 -0.608 0.850 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.479 -0.576 4.254 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.865 1.138 4.537 1.00 0.00 H new ATOM 0 HG23 THR B 47 -7.174 -0.035 4.262 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.493 3.542 2.294 1.00 0.00 N ATOM 1894 CA TYR B 48 -4.967 4.767 2.890 1.00 0.00 C ATOM 1895 C TYR B 48 -5.921 5.937 2.667 1.00 0.00 C ATOM 1896 O TYR B 48 -6.257 6.662 3.605 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.587 5.102 2.319 1.00 0.00 C ATOM 1898 CG TYR B 48 -2.985 6.368 2.891 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.491 6.400 4.190 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.915 7.535 2.135 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -1.943 7.553 4.716 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.368 8.691 2.656 1.00 0.00 C ATOM 1903 CZ TYR B 48 -1.883 8.695 3.946 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.340 9.846 4.471 1.00 0.00 O ATOM 0 H TYR B 48 -4.958 3.196 1.498 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.870 4.597 3.962 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.911 4.269 2.512 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.666 5.204 1.237 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.537 5.508 4.798 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.295 7.536 1.124 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -1.563 7.560 5.727 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.321 9.587 2.056 1.00 0.00 H new ATOM 0 HH TYR B 48 -0.726 9.615 5.199 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.355 6.114 1.421 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.275 7.189 1.072 1.00 0.00 C ATOM 1916 C GLU B 49 -8.590 7.078 1.846 1.00 0.00 C ATOM 1917 O GLU B 49 -9.181 8.095 2.214 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.548 7.164 -0.432 1.00 0.00 C ATOM 1919 CG GLU B 49 -6.436 7.761 -1.281 1.00 0.00 C ATOM 1920 CD GLU B 49 -6.418 9.275 -1.243 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -7.376 9.897 -1.751 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -5.449 9.856 -0.719 1.00 0.00 O ATOM 0 H GLU B 49 -6.082 5.524 0.635 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.809 8.136 1.345 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.712 6.132 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.472 7.707 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.475 7.382 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.554 7.429 -2.313 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.045 5.857 2.095 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.252 5.651 2.884 1.00 0.00 C ATOM 1931 C ALA B 50 -10.017 6.066 4.332 1.00 0.00 C ATOM 1932 O ALA B 50 -10.817 6.798 4.911 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.698 4.199 2.814 1.00 0.00 C ATOM 0 H ALA B 50 -8.600 5.000 1.765 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.044 6.273 2.468 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.601 4.067 3.410 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.905 3.931 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.908 3.557 3.204 1.00 0.00 H new ATOM 1939 N TYR B 51 -8.905 5.610 4.904 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.554 5.946 6.279 1.00 0.00 C ATOM 1941 C TYR B 51 -8.368 7.446 6.456 1.00 0.00 C ATOM 1942 O TYR B 51 -8.864 8.030 7.421 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.279 5.217 6.709 1.00 0.00 C ATOM 1944 CG TYR B 51 -7.511 3.786 7.136 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -8.660 3.424 7.832 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -6.571 2.800 6.866 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -8.865 2.122 8.242 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -6.773 1.495 7.270 1.00 0.00 C ATOM 1949 CZ TYR B 51 -7.921 1.161 7.957 1.00 0.00 C ATOM 1950 OH TYR B 51 -8.118 -0.134 8.369 1.00 0.00 O ATOM 0 H TYR B 51 -8.231 5.006 4.434 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.382 5.623 6.911 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.568 5.229 5.883 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -6.820 5.763 7.533 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.404 4.174 8.055 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -5.668 3.058 6.332 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -9.761 1.858 8.784 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -6.034 0.739 7.049 1.00 0.00 H new ATOM 0 HH TYR B 51 -9.079 -0.325 8.399 1.00 0.00 H new ATOM 1960 N ARG B 52 -7.655 8.065 5.524 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.374 9.488 5.612 1.00 0.00 C ATOM 1962 C ARG B 52 -8.662 10.304 5.513 1.00 0.00 C ATOM 1963 O ARG B 52 -8.857 11.253 6.264 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.364 9.926 4.541 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.839 9.792 3.112 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.915 10.530 2.159 1.00 0.00 C ATOM 1967 NE ARG B 52 -5.856 11.961 2.450 1.00 0.00 N ATOM 1968 CZ ARG B 52 -6.103 12.914 1.552 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -6.379 12.592 0.295 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -6.049 14.191 1.906 1.00 0.00 N ATOM 0 H ARG B 52 -7.263 7.605 4.703 1.00 0.00 H new ATOM 0 HA ARG B 52 -6.925 9.678 6.587 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -6.097 10.967 4.722 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -5.454 9.338 4.661 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -6.884 8.738 2.837 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -7.851 10.188 3.023 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -4.913 10.105 2.224 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -6.258 10.382 1.135 1.00 0.00 H new ATOM 0 HE ARG B 52 -5.611 12.248 3.398 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -6.403 11.612 0.013 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -6.568 13.324 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -5.818 14.445 2.867 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -6.238 14.919 1.218 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.551 9.908 4.609 1.00 0.00 N ATOM 1985 CA GLN B 53 -10.815 10.609 4.414 1.00 0.00 C ATOM 1986 C GLN B 53 -11.758 10.346 5.582 1.00 0.00 C ATOM 1987 O GLN B 53 -12.516 11.229 5.986 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.462 10.163 3.098 1.00 0.00 C ATOM 1989 CG GLN B 53 -12.800 10.826 2.801 1.00 0.00 C ATOM 1990 CD GLN B 53 -12.706 12.334 2.649 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -12.464 12.845 1.558 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -12.912 13.057 3.741 1.00 0.00 N ATOM 0 H GLN B 53 -9.419 9.102 3.998 1.00 0.00 H new ATOM 0 HA GLN B 53 -10.617 11.680 4.367 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -10.775 10.375 2.279 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -11.603 9.082 3.124 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -13.212 10.401 1.886 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -13.499 10.592 3.604 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -13.110 12.595 4.629 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -12.872 14.075 3.694 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.703 9.137 6.126 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.556 8.762 7.245 1.00 0.00 C ATOM 2003 C LEU B 54 -12.251 9.646 8.450 1.00 0.00 C ATOM 2004 O LEU B 54 -13.158 10.225 9.044 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.355 7.277 7.592 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.453 6.617 8.440 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -13.350 5.103 8.347 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.364 7.046 9.897 1.00 0.00 C ATOM 0 H LEU B 54 -11.075 8.398 5.809 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.599 8.908 6.964 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.261 6.719 6.661 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.408 7.175 8.121 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.416 6.942 8.046 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -14.134 4.647 8.952 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -13.467 4.793 7.308 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -12.375 4.781 8.713 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -14.155 6.561 10.468 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.394 6.757 10.303 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -13.479 8.128 9.965 1.00 0.00 H new ATOM 2020 N ASP B 55 -10.969 9.765 8.794 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.562 10.571 9.943 1.00 0.00 C ATOM 2022 C ASP B 55 -10.814 12.050 9.683 1.00 0.00 C ATOM 2023 O ASP B 55 -11.262 12.772 10.568 1.00 0.00 O ATOM 2024 CB ASP B 55 -9.088 10.339 10.282 1.00 0.00 C ATOM 2025 CG ASP B 55 -8.614 11.205 11.438 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -9.224 11.143 12.532 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -7.635 11.958 11.255 1.00 0.00 O ATOM 0 H ASP B 55 -10.199 9.317 8.297 1.00 0.00 H new ATOM 0 HA ASP B 55 -11.165 10.260 10.796 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.937 9.289 10.533 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.479 10.547 9.402 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.545 12.490 8.460 1.00 0.00 N ATOM 2033 CA GLU B 56 -10.804 13.872 8.065 1.00 0.00 C ATOM 2034 C GLU B 56 -12.278 14.224 8.236 1.00 0.00 C ATOM 2035 O GLU B 56 -12.621 15.249 8.833 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.371 14.095 6.614 1.00 0.00 C ATOM 2037 CG GLU B 56 -8.875 14.293 6.450 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.365 15.508 7.195 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -8.577 16.639 6.708 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -7.741 15.340 8.263 1.00 0.00 O ATOM 0 H GLU B 56 -10.147 11.910 7.722 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.223 14.526 8.714 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.684 13.240 6.015 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.890 14.968 6.219 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.353 13.406 6.808 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.639 14.395 5.391 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.148 13.360 7.724 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.585 13.555 7.848 1.00 0.00 C ATOM 2049 C PHE B 57 -14.989 13.500 9.318 1.00 0.00 C ATOM 2050 O PHE B 57 -15.825 14.278 9.778 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.323 12.481 7.041 1.00 0.00 C ATOM 2052 CG PHE B 57 -16.807 12.691 6.941 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.326 13.696 6.139 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.683 11.873 7.636 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -18.691 13.882 6.035 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -19.049 12.057 7.538 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.553 13.062 6.737 1.00 0.00 C ATOM 0 H PHE B 57 -12.880 12.516 7.218 1.00 0.00 H new ATOM 0 HA PHE B 57 -14.856 14.534 7.452 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -14.904 12.448 6.035 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.136 11.509 7.497 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -16.656 14.340 5.590 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -17.294 11.083 8.261 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -19.084 14.667 5.406 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.722 11.415 8.088 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.620 13.207 6.659 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.357 12.587 10.041 1.00 0.00 N ATOM 2068 CA ARG B 58 -14.564 12.421 11.477 1.00 0.00 C ATOM 2069 C ARG B 58 -14.226 13.704 12.236 1.00 0.00 C ATOM 2070 O ARG B 58 -15.020 14.178 13.047 1.00 0.00 O ATOM 2071 CB ARG B 58 -13.690 11.265 11.970 1.00 0.00 C ATOM 2072 CG ARG B 58 -13.536 11.169 13.480 1.00 0.00 C ATOM 2073 CD ARG B 58 -12.427 10.189 13.832 1.00 0.00 C ATOM 2074 NE ARG B 58 -12.194 10.080 15.271 1.00 0.00 N ATOM 2075 CZ ARG B 58 -11.006 9.788 15.799 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -9.927 9.717 15.022 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -10.889 9.613 17.109 1.00 0.00 N ATOM 0 H ARG B 58 -13.680 11.934 9.647 1.00 0.00 H new ATOM 0 HA ARG B 58 -15.615 12.198 11.662 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -14.112 10.329 11.604 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -12.700 11.364 11.525 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -13.308 12.152 13.893 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -14.475 10.844 13.929 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -12.680 9.206 13.435 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -11.505 10.502 13.343 1.00 0.00 H new ATOM 0 HE ARG B 58 -12.980 10.235 15.902 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -10.008 9.886 14.019 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -9.019 9.493 15.429 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -11.708 9.702 17.711 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -9.980 9.389 17.514 1.00 0.00 H new ATOM 2091 N LYS B 59 -13.053 14.264 11.956 1.00 0.00 N ATOM 2092 CA LYS B 59 -12.606 15.485 12.619 1.00 0.00 C ATOM 2093 C LYS B 59 -13.577 16.621 12.351 1.00 0.00 C ATOM 2094 O LYS B 59 -13.974 17.352 13.260 1.00 0.00 O ATOM 2095 CB LYS B 59 -11.218 15.884 12.137 1.00 0.00 C ATOM 2096 CG LYS B 59 -10.159 14.850 12.441 1.00 0.00 C ATOM 2097 CD LYS B 59 -8.827 15.511 12.703 1.00 0.00 C ATOM 2098 CE LYS B 59 -7.742 14.497 13.011 1.00 0.00 C ATOM 2099 NZ LYS B 59 -8.207 13.426 13.935 1.00 0.00 N ATOM 0 H LYS B 59 -12.394 13.891 11.273 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.567 15.289 13.690 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -11.250 16.055 11.061 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -10.937 16.829 12.602 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -10.456 14.263 13.310 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -10.069 14.158 11.604 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -8.537 16.100 11.833 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.924 16.204 13.539 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -7.397 14.045 12.081 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -6.887 15.008 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -7.384 12.935 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -8.769 13.848 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -8.793 12.745 13.411 1.00 0.00 H new ATOM 2113 N SER B 60 -13.950 16.753 11.091 1.00 0.00 N ATOM 2114 CA SER B 60 -14.880 17.784 10.669 1.00 0.00 C ATOM 2115 C SER B 60 -16.221 17.656 11.391 1.00 0.00 C ATOM 2116 O SER B 60 -16.660 18.592 12.067 1.00 0.00 O ATOM 2117 CB SER B 60 -15.084 17.721 9.153 1.00 0.00 C ATOM 2118 OG SER B 60 -15.871 18.810 8.697 1.00 0.00 O ATOM 0 H SER B 60 -13.619 16.153 10.336 1.00 0.00 H new ATOM 0 HA SER B 60 -14.452 18.751 10.932 1.00 0.00 H new ATOM 0 HB2 SER B 60 -14.116 17.733 8.652 1.00 0.00 H new ATOM 0 HB3 SER B 60 -15.569 16.782 8.887 1.00 0.00 H new ATOM 0 HG SER B 60 -15.985 18.747 7.726 1.00 0.00 H new ATOM 2124 N THR B 61 -16.848 16.493 11.275 1.00 0.00 N ATOM 2125 CA THR B 61 -18.195 16.297 11.797 1.00 0.00 C ATOM 2126 C THR B 61 -18.231 16.398 13.325 1.00 0.00 C ATOM 2127 O THR B 61 -19.164 16.974 13.884 1.00 0.00 O ATOM 2128 CB THR B 61 -18.806 14.948 11.336 1.00 0.00 C ATOM 2129 OG1 THR B 61 -20.195 14.898 11.687 1.00 0.00 O ATOM 2130 CG2 THR B 61 -18.088 13.757 11.957 1.00 0.00 C ATOM 0 H THR B 61 -16.446 15.671 10.824 1.00 0.00 H new ATOM 0 HA THR B 61 -18.804 17.102 11.385 1.00 0.00 H new ATOM 0 HB THR B 61 -18.688 14.888 10.254 1.00 0.00 H new ATOM 0 HG1 THR B 61 -20.458 13.968 11.849 1.00 0.00 H new ATOM 0 HG21 THR B 61 -18.548 12.832 11.608 1.00 0.00 H new ATOM 0 HG22 THR B 61 -17.038 13.773 11.666 1.00 0.00 H new ATOM 0 HG23 THR B 61 -18.164 13.812 13.043 1.00 0.00 H new