USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot -99:sc= 1.23 USER MOD Set 1.2: A 71 TYR OH : rot -31:sc= 1.14 USER MOD Set 2.1: A 24 ASN : amide:sc= -1.83 K(o=-5.1,f=-7.4!) USER MOD Set 2.2: A 66 GLN : amide:sc= -3.28 K(o=-5.1,f=-11!) USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.136 (180deg=0.00714) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 8 LYS NZ :NH3+ 139:sc= -0.88 (180deg=-2.33!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.49) USER MOD Single : A 14 GLN : amide:sc= -6.4! C(o=-6.4!,f=-8.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.085 X(o=-0.085,f=-0.54) USER MOD Single : A 23 THR OG1 : rot 146:sc= -2.97! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 27 SER OG : rot 180:sc= -0.631 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 150:sc= -0.704 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -15:sc= -0.512! USER MOD Single : A 64 THR OG1 : rot -90:sc= 0.876 USER MOD Single : A 73 ASN : amide:sc= -1.05 K(o=-1,f=-0.27) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.949! C(o=-0.95!,f=-0.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.982 -9.890 -10.617 1.00 0.00 N ATOM 2 CA SER A 1 -1.965 -11.051 -9.743 1.00 0.00 C ATOM 3 C SER A 1 -2.991 -10.875 -8.621 1.00 0.00 C ATOM 4 O SER A 1 -3.716 -9.882 -8.588 1.00 0.00 O ATOM 5 CB SER A 1 -0.571 -11.278 -9.156 1.00 0.00 C ATOM 6 OG SER A 1 0.370 -11.669 -10.152 1.00 0.00 O ATOM 0 H1 SER A 1 -2.176 -10.193 -11.593 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.724 -9.231 -10.305 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.058 -9.414 -10.579 1.00 0.00 H new ATOM 0 HA SER A 1 -2.228 -11.928 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.228 -10.363 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.623 -12.046 -8.385 1.00 0.00 H new ATOM 0 HG SER A 1 1.248 -11.803 -9.738 1.00 0.00 H new ATOM 12 N THR A 2 -3.019 -11.855 -7.729 1.00 0.00 N ATOM 13 CA THR A 2 -3.944 -11.821 -6.609 1.00 0.00 C ATOM 14 C THR A 2 -3.286 -11.165 -5.394 1.00 0.00 C ATOM 15 O THR A 2 -3.575 -11.529 -4.255 1.00 0.00 O ATOM 16 CB THR A 2 -4.420 -13.251 -6.345 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.239 -14.039 -6.476 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.341 -13.774 -7.449 1.00 0.00 C ATOM 0 H THR A 2 -2.416 -12.677 -7.759 1.00 0.00 H new ATOM 0 HA THR A 2 -4.817 -11.210 -6.836 1.00 0.00 H new ATOM 0 HB THR A 2 -4.941 -13.290 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.456 -14.982 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.650 -14.792 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.221 -13.135 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.809 -13.768 -8.400 1.00 0.00 H new ATOM 26 N ILE A 3 -2.412 -10.210 -5.677 1.00 0.00 N ATOM 27 CA ILE A 3 -1.710 -9.501 -4.621 1.00 0.00 C ATOM 28 C ILE A 3 -2.108 -8.024 -4.653 1.00 0.00 C ATOM 29 O ILE A 3 -2.492 -7.458 -3.630 1.00 0.00 O ATOM 30 CB ILE A 3 -0.202 -9.733 -4.730 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.451 -9.752 -3.347 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.447 -8.702 -5.656 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.562 -8.338 -2.773 1.00 0.00 C ATOM 0 H ILE A 3 -2.174 -9.911 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.999 -9.889 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.039 -10.714 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.135 -10.377 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.443 -10.199 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.519 -8.890 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.009 -8.780 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.276 -7.700 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.030 -8.380 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.169 -7.722 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.433 -7.903 -2.683 1.00 0.00 H new ATOM 45 N GLU A 4 -2.004 -7.441 -5.839 1.00 0.00 N ATOM 46 CA GLU A 4 -2.349 -6.041 -6.017 1.00 0.00 C ATOM 47 C GLU A 4 -3.832 -5.816 -5.715 1.00 0.00 C ATOM 48 O GLU A 4 -4.182 -4.945 -4.921 1.00 0.00 O ATOM 49 CB GLU A 4 -1.998 -5.566 -7.429 1.00 0.00 C ATOM 50 CG GLU A 4 -2.861 -6.274 -8.475 1.00 0.00 C ATOM 51 CD GLU A 4 -2.321 -6.031 -9.886 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.877 -5.211 -10.631 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.283 -6.731 -10.200 1.00 0.00 O ATOM 0 H GLU A 4 -1.686 -7.913 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.762 -5.450 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.144 -4.488 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.944 -5.759 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.883 -7.344 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.888 -5.915 -8.408 1.00 0.00 H new ATOM 61 N GLU A 5 -4.663 -6.618 -6.365 1.00 0.00 N ATOM 62 CA GLU A 5 -6.100 -6.518 -6.176 1.00 0.00 C ATOM 63 C GLU A 5 -6.429 -6.343 -4.692 1.00 0.00 C ATOM 64 O GLU A 5 -7.401 -5.675 -4.343 1.00 0.00 O ATOM 65 CB GLU A 5 -6.816 -7.739 -6.757 1.00 0.00 C ATOM 66 CG GLU A 5 -6.041 -9.023 -6.456 1.00 0.00 C ATOM 67 CD GLU A 5 -6.965 -10.242 -6.486 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.314 -10.781 -5.425 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.325 -10.625 -7.664 1.00 0.00 O ATOM 0 H GLU A 5 -4.368 -7.340 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.457 -5.639 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.820 -7.809 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.927 -7.621 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.242 -9.150 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.568 -8.945 -5.477 1.00 0.00 H new ATOM 77 N ARG A 6 -5.601 -6.955 -3.859 1.00 0.00 N ATOM 78 CA ARG A 6 -5.792 -6.876 -2.421 1.00 0.00 C ATOM 79 C ARG A 6 -5.102 -5.630 -1.862 1.00 0.00 C ATOM 80 O ARG A 6 -5.642 -4.959 -0.984 1.00 0.00 O ATOM 81 CB ARG A 6 -5.234 -8.117 -1.722 1.00 0.00 C ATOM 82 CG ARG A 6 -6.156 -9.321 -1.923 1.00 0.00 C ATOM 83 CD ARG A 6 -5.373 -10.633 -1.834 1.00 0.00 C ATOM 84 NE ARG A 6 -4.935 -10.867 -0.440 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.734 -11.356 0.533 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.021 -11.669 0.270 1.00 0.00 N ATOM 87 NH2 ARG A 6 -5.238 -11.525 1.744 1.00 0.00 N ATOM 0 H ARG A 6 -4.796 -7.508 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.864 -6.818 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.243 -8.344 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.118 -7.917 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.943 -9.311 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.645 -9.251 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.996 -11.461 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.507 -10.595 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.969 -10.645 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.396 -11.537 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.618 -12.038 1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.264 -11.287 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.828 -11.893 2.490 1.00 0.00 H new ATOM 100 N VAL A 7 -3.918 -5.360 -2.393 1.00 0.00 N ATOM 101 CA VAL A 7 -3.149 -4.207 -1.957 1.00 0.00 C ATOM 102 C VAL A 7 -4.057 -2.976 -1.923 1.00 0.00 C ATOM 103 O VAL A 7 -4.055 -2.226 -0.948 1.00 0.00 O ATOM 104 CB VAL A 7 -1.927 -4.023 -2.859 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.300 -2.642 -2.658 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.899 -5.132 -2.624 1.00 0.00 C ATOM 0 H VAL A 7 -3.473 -5.920 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.771 -4.360 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.262 -4.091 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.433 -2.537 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.032 -1.871 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.987 -2.532 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.041 -4.977 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.572 -5.111 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.351 -6.099 -2.842 1.00 0.00 H new ATOM 116 N LYS A 8 -4.812 -2.807 -2.999 1.00 0.00 N ATOM 117 CA LYS A 8 -5.723 -1.681 -3.104 1.00 0.00 C ATOM 118 C LYS A 8 -6.621 -1.639 -1.865 1.00 0.00 C ATOM 119 O LYS A 8 -6.931 -0.563 -1.355 1.00 0.00 O ATOM 120 CB LYS A 8 -6.497 -1.739 -4.422 1.00 0.00 C ATOM 121 CG LYS A 8 -5.543 -1.797 -5.616 1.00 0.00 C ATOM 122 CD LYS A 8 -4.657 -0.551 -5.672 1.00 0.00 C ATOM 123 CE LYS A 8 -4.782 0.150 -7.026 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.199 0.216 -7.447 1.00 0.00 N ATOM 0 H LYS A 8 -4.811 -3.432 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.168 -0.743 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.147 -2.614 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.141 -0.864 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.919 -2.688 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.116 -1.882 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.940 0.137 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.618 -0.831 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.369 1.157 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.199 -0.386 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.393 1.147 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.387 -0.527 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.814 0.074 -6.620 1.00 0.00 H new ATOM 137 N LYS A 9 -7.012 -2.823 -1.417 1.00 0.00 N ATOM 138 CA LYS A 9 -7.868 -2.935 -0.248 1.00 0.00 C ATOM 139 C LYS A 9 -7.122 -2.402 0.977 1.00 0.00 C ATOM 140 O LYS A 9 -7.632 -1.540 1.692 1.00 0.00 O ATOM 141 CB LYS A 9 -8.368 -4.372 -0.086 1.00 0.00 C ATOM 142 CG LYS A 9 -9.884 -4.450 -0.284 1.00 0.00 C ATOM 143 CD LYS A 9 -10.470 -5.658 0.449 1.00 0.00 C ATOM 144 CE LYS A 9 -11.630 -5.240 1.355 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.560 -5.954 2.649 1.00 0.00 N ATOM 0 H LYS A 9 -6.752 -3.713 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.762 -2.323 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.869 -5.018 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.107 -4.742 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.350 -3.536 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.113 -4.519 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.817 -6.394 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.694 -6.138 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.597 -4.164 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.579 -5.457 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.354 -5.659 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.614 -6.979 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.663 -5.727 3.123 1.00 0.00 H new ATOM 158 N ILE A 10 -5.928 -2.937 1.182 1.00 0.00 N ATOM 159 CA ILE A 10 -5.107 -2.526 2.309 1.00 0.00 C ATOM 160 C ILE A 10 -5.053 -0.998 2.364 1.00 0.00 C ATOM 161 O ILE A 10 -5.389 -0.397 3.384 1.00 0.00 O ATOM 162 CB ILE A 10 -3.730 -3.187 2.238 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.835 -4.698 2.457 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.755 -2.532 3.219 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.668 -5.431 1.792 1.00 0.00 C ATOM 0 H ILE A 10 -5.509 -3.652 0.587 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.549 -2.864 3.246 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.329 -3.034 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.844 -4.914 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.778 -5.063 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.784 -3.021 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.648 -1.475 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.138 -2.632 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.767 -6.503 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.677 -5.232 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.728 -5.081 2.218 1.00 0.00 H new ATOM 177 N ILE A 11 -4.628 -0.412 1.254 1.00 0.00 N ATOM 178 CA ILE A 11 -4.526 1.035 1.163 1.00 0.00 C ATOM 179 C ILE A 11 -5.931 1.641 1.149 1.00 0.00 C ATOM 180 O ILE A 11 -6.119 2.789 1.547 1.00 0.00 O ATOM 181 CB ILE A 11 -3.670 1.437 -0.040 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.362 0.644 -0.071 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.426 2.947 -0.058 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.717 0.594 1.316 1.00 0.00 C ATOM 0 H ILE A 11 -4.350 -0.913 0.410 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.014 1.437 2.037 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.218 1.189 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.555 -0.369 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.672 1.101 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.815 3.207 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.381 3.469 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.908 3.243 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.789 0.024 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.503 1.608 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.399 0.114 2.018 1.00 0.00 H new ATOM 196 N GLY A 12 -6.880 0.842 0.685 1.00 0.00 N ATOM 197 CA GLY A 12 -8.262 1.286 0.613 1.00 0.00 C ATOM 198 C GLY A 12 -8.896 1.333 2.005 1.00 0.00 C ATOM 199 O GLY A 12 -9.846 2.081 2.234 1.00 0.00 O ATOM 0 H GLY A 12 -6.720 -0.110 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.307 2.274 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.831 0.612 -0.027 1.00 0.00 H new ATOM 203 N GLN A 13 -8.345 0.525 2.899 1.00 0.00 N ATOM 204 CA GLN A 13 -8.844 0.465 4.262 1.00 0.00 C ATOM 205 C GLN A 13 -7.888 1.191 5.210 1.00 0.00 C ATOM 206 O GLN A 13 -8.279 2.144 5.881 1.00 0.00 O ATOM 207 CB GLN A 13 -9.059 -0.984 4.704 1.00 0.00 C ATOM 208 CG GLN A 13 -10.547 -1.341 4.709 1.00 0.00 C ATOM 209 CD GLN A 13 -11.347 -0.345 5.551 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.991 -0.012 6.670 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.444 0.111 4.954 1.00 0.00 N ATOM 0 H GLN A 13 -7.557 -0.094 2.706 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.810 0.968 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.523 -1.656 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.643 -1.129 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.927 -1.346 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.682 -2.348 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.684 -0.209 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.045 0.781 5.434 1.00 0.00 H new ATOM 220 N GLN A 14 -6.653 0.712 5.234 1.00 0.00 N ATOM 221 CA GLN A 14 -5.638 1.304 6.089 1.00 0.00 C ATOM 222 C GLN A 14 -5.715 2.831 6.026 1.00 0.00 C ATOM 223 O GLN A 14 -6.049 3.481 7.015 1.00 0.00 O ATOM 224 CB GLN A 14 -4.242 0.809 5.706 1.00 0.00 C ATOM 225 CG GLN A 14 -4.016 -0.625 6.191 1.00 0.00 C ATOM 226 CD GLN A 14 -3.857 -0.670 7.712 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.734 -0.284 8.466 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.690 -1.163 8.119 1.00 0.00 N ATOM 0 H GLN A 14 -6.332 -0.079 4.675 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.829 0.992 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.121 0.854 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.488 1.466 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.856 -1.251 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.126 -1.037 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.999 -1.469 7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.487 -1.235 9.116 1.00 0.00 H new ATOM 237 N LEU A 15 -5.400 3.359 4.852 1.00 0.00 N ATOM 238 CA LEU A 15 -5.429 4.797 4.646 1.00 0.00 C ATOM 239 C LEU A 15 -6.813 5.333 5.017 1.00 0.00 C ATOM 240 O LEU A 15 -6.936 6.205 5.876 1.00 0.00 O ATOM 241 CB LEU A 15 -4.997 5.143 3.220 1.00 0.00 C ATOM 242 CG LEU A 15 -3.725 4.456 2.719 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.969 5.352 1.735 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.842 4.017 3.889 1.00 0.00 C ATOM 0 H LEU A 15 -5.123 2.816 4.034 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.710 5.290 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.813 4.891 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.853 6.222 3.157 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.014 3.555 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.069 4.840 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.607 5.572 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.692 6.283 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.945 3.532 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.559 4.889 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.393 3.317 4.518 1.00 0.00 H new ATOM 256 N GLY A 16 -7.821 4.789 4.351 1.00 0.00 N ATOM 257 CA GLY A 16 -9.192 5.201 4.599 1.00 0.00 C ATOM 258 C GLY A 16 -9.805 5.846 3.354 1.00 0.00 C ATOM 259 O GLY A 16 -10.210 7.007 3.388 1.00 0.00 O ATOM 0 H GLY A 16 -7.715 4.066 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.787 4.337 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.219 5.907 5.429 1.00 0.00 H new ATOM 263 N VAL A 17 -9.853 5.065 2.285 1.00 0.00 N ATOM 264 CA VAL A 17 -10.409 5.546 1.032 1.00 0.00 C ATOM 265 C VAL A 17 -11.231 4.431 0.383 1.00 0.00 C ATOM 266 O VAL A 17 -11.433 3.375 0.981 1.00 0.00 O ATOM 267 CB VAL A 17 -9.290 6.067 0.128 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.456 7.130 0.846 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.407 4.920 -0.368 1.00 0.00 C ATOM 0 H VAL A 17 -9.516 4.103 2.261 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.082 6.385 1.210 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.752 6.534 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.668 7.484 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.096 7.966 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.009 6.698 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.620 5.318 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.958 4.411 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.013 4.213 -0.935 1.00 0.00 H new ATOM 279 N LYS A 18 -11.683 4.703 -0.833 1.00 0.00 N ATOM 280 CA LYS A 18 -12.479 3.736 -1.569 1.00 0.00 C ATOM 281 C LYS A 18 -11.547 2.763 -2.295 1.00 0.00 C ATOM 282 O LYS A 18 -10.331 2.813 -2.118 1.00 0.00 O ATOM 283 CB LYS A 18 -13.466 4.449 -2.496 1.00 0.00 C ATOM 284 CG LYS A 18 -14.579 5.126 -1.694 1.00 0.00 C ATOM 285 CD LYS A 18 -14.138 6.505 -1.199 1.00 0.00 C ATOM 286 CE LYS A 18 -15.137 7.584 -1.621 1.00 0.00 C ATOM 287 NZ LYS A 18 -15.449 8.475 -0.481 1.00 0.00 N ATOM 0 H LYS A 18 -11.513 5.579 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.089 3.145 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.938 5.193 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.900 3.732 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.470 5.226 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.851 4.501 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.047 6.493 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.152 6.741 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.725 8.168 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.052 7.118 -1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.128 9.202 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.862 7.917 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.576 8.934 -0.150 1.00 0.00 H new ATOM 300 N GLN A 19 -12.154 1.899 -3.096 1.00 0.00 N ATOM 301 CA GLN A 19 -11.394 0.916 -3.849 1.00 0.00 C ATOM 302 C GLN A 19 -11.225 1.373 -5.300 1.00 0.00 C ATOM 303 O GLN A 19 -10.108 1.426 -5.811 1.00 0.00 O ATOM 304 CB GLN A 19 -12.059 -0.460 -3.782 1.00 0.00 C ATOM 305 CG GLN A 19 -11.030 -1.577 -3.965 1.00 0.00 C ATOM 306 CD GLN A 19 -11.484 -2.571 -5.036 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.661 -2.839 -5.211 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.487 -3.102 -5.738 1.00 0.00 N ATOM 0 H GLN A 19 -13.163 1.860 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.405 0.828 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.562 -0.578 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.824 -0.536 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.068 -1.148 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.882 -2.098 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.523 -2.833 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.686 -3.778 -6.475 1.00 0.00 H new ATOM 317 N GLU A 20 -12.351 1.691 -5.921 1.00 0.00 N ATOM 318 CA GLU A 20 -12.342 2.142 -7.303 1.00 0.00 C ATOM 319 C GLU A 20 -11.476 3.395 -7.446 1.00 0.00 C ATOM 320 O GLU A 20 -10.673 3.496 -8.373 1.00 0.00 O ATOM 321 CB GLU A 20 -13.764 2.397 -7.805 1.00 0.00 C ATOM 322 CG GLU A 20 -13.949 1.857 -9.225 1.00 0.00 C ATOM 323 CD GLU A 20 -15.392 2.044 -9.699 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.310 2.133 -8.870 1.00 0.00 O ATOM 325 OE2 GLU A 20 -15.543 2.097 -10.979 1.00 0.00 O ATOM 0 H GLU A 20 -13.276 1.645 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.910 1.354 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.481 1.922 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.973 3.467 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.270 2.371 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.688 0.799 -9.253 1.00 0.00 H new ATOM 333 N GLU A 21 -11.668 4.318 -6.516 1.00 0.00 N ATOM 334 CA GLU A 21 -10.914 5.560 -6.527 1.00 0.00 C ATOM 335 C GLU A 21 -9.413 5.270 -6.575 1.00 0.00 C ATOM 336 O GLU A 21 -8.695 5.826 -7.404 1.00 0.00 O ATOM 337 CB GLU A 21 -11.267 6.427 -5.317 1.00 0.00 C ATOM 338 CG GLU A 21 -12.269 7.519 -5.697 1.00 0.00 C ATOM 339 CD GLU A 21 -11.678 8.911 -5.462 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.205 9.677 -4.642 1.00 0.00 O ATOM 341 OE2 GLU A 21 -10.632 9.185 -6.165 1.00 0.00 O ATOM 0 H GLU A 21 -12.335 4.231 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.185 6.118 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.686 5.803 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.362 6.883 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.550 7.411 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.180 7.403 -5.109 1.00 0.00 H new ATOM 349 N VAL A 22 -8.982 4.398 -5.674 1.00 0.00 N ATOM 350 CA VAL A 22 -7.579 4.027 -5.603 1.00 0.00 C ATOM 351 C VAL A 22 -7.127 3.496 -6.965 1.00 0.00 C ATOM 352 O VAL A 22 -7.853 2.746 -7.615 1.00 0.00 O ATOM 353 CB VAL A 22 -7.360 3.026 -4.467 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.925 2.494 -4.475 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.707 3.647 -3.113 1.00 0.00 C ATOM 0 H VAL A 22 -9.580 3.938 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.964 4.897 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.031 2.183 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.795 1.784 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.727 1.995 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.229 3.323 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.542 2.914 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.074 4.517 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.753 3.954 -3.111 1.00 0.00 H new ATOM 365 N THR A 23 -5.929 3.906 -7.356 1.00 0.00 N ATOM 366 CA THR A 23 -5.372 3.481 -8.629 1.00 0.00 C ATOM 367 C THR A 23 -3.920 3.032 -8.451 1.00 0.00 C ATOM 368 O THR A 23 -3.344 3.192 -7.377 1.00 0.00 O ATOM 369 CB THR A 23 -5.535 4.631 -9.625 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.872 5.727 -9.001 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.987 5.096 -9.749 1.00 0.00 C ATOM 0 H THR A 23 -5.329 4.528 -6.814 1.00 0.00 H new ATOM 0 HA THR A 23 -5.902 2.614 -9.023 1.00 0.00 H new ATOM 0 HB THR A 23 -5.169 4.319 -10.603 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.450 6.287 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.047 5.913 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.607 4.267 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.343 5.440 -8.778 1.00 0.00 H new ATOM 379 N ASN A 24 -3.370 2.478 -9.522 1.00 0.00 N ATOM 380 CA ASN A 24 -1.997 2.005 -9.498 1.00 0.00 C ATOM 381 C ASN A 24 -1.066 3.129 -9.958 1.00 0.00 C ATOM 382 O ASN A 24 -0.099 2.884 -10.677 1.00 0.00 O ATOM 383 CB ASN A 24 -1.807 0.818 -10.445 1.00 0.00 C ATOM 384 CG ASN A 24 -2.406 -0.459 -9.851 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.001 -0.936 -8.803 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.390 -0.982 -10.576 1.00 0.00 N ATOM 0 H ASN A 24 -3.851 2.346 -10.412 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.765 1.695 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.279 1.034 -11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.745 0.670 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.856 -1.834 -10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.679 -0.531 -11.444 1.00 0.00 H new ATOM 393 N ASN A 25 -1.392 4.338 -9.524 1.00 0.00 N ATOM 394 CA ASN A 25 -0.598 5.501 -9.882 1.00 0.00 C ATOM 395 C ASN A 25 -1.187 6.742 -9.209 1.00 0.00 C ATOM 396 O ASN A 25 -1.199 7.824 -9.795 1.00 0.00 O ATOM 397 CB ASN A 25 -0.610 5.732 -11.394 1.00 0.00 C ATOM 398 CG ASN A 25 0.803 5.995 -11.920 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.574 6.751 -11.351 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.097 5.332 -13.034 1.00 0.00 N ATOM 0 H ASN A 25 -2.195 4.537 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 25 0.426 5.325 -9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.032 4.861 -11.895 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.254 6.579 -11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.015 5.440 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.404 4.715 -13.458 1.00 0.00 H new ATOM 407 N ALA A 26 -1.661 6.545 -7.987 1.00 0.00 N ATOM 408 CA ALA A 26 -2.250 7.635 -7.228 1.00 0.00 C ATOM 409 C ALA A 26 -1.551 7.743 -5.872 1.00 0.00 C ATOM 410 O ALA A 26 -1.418 6.751 -5.157 1.00 0.00 O ATOM 411 CB ALA A 26 -3.757 7.406 -7.091 1.00 0.00 C ATOM 0 H ALA A 26 -1.649 5.647 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.110 8.583 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.199 8.224 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.211 7.367 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.936 6.464 -6.572 1.00 0.00 H new ATOM 417 N SER A 27 -1.121 8.957 -5.559 1.00 0.00 N ATOM 418 CA SER A 27 -0.438 9.207 -4.301 1.00 0.00 C ATOM 419 C SER A 27 -1.443 9.662 -3.241 1.00 0.00 C ATOM 420 O SER A 27 -1.518 10.847 -2.920 1.00 0.00 O ATOM 421 CB SER A 27 0.664 10.255 -4.472 1.00 0.00 C ATOM 422 OG SER A 27 1.416 10.049 -5.665 1.00 0.00 O ATOM 0 H SER A 27 -1.232 9.778 -6.155 1.00 0.00 H new ATOM 0 HA SER A 27 0.029 8.278 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.219 11.250 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.333 10.222 -3.612 1.00 0.00 H new ATOM 0 HG SER A 27 2.108 10.739 -5.739 1.00 0.00 H new ATOM 428 N PHE A 28 -2.191 8.696 -2.728 1.00 0.00 N ATOM 429 CA PHE A 28 -3.189 8.983 -1.711 1.00 0.00 C ATOM 430 C PHE A 28 -2.714 10.097 -0.776 1.00 0.00 C ATOM 431 O PHE A 28 -3.496 10.966 -0.394 1.00 0.00 O ATOM 432 CB PHE A 28 -3.381 7.700 -0.900 1.00 0.00 C ATOM 433 CG PHE A 28 -2.077 6.970 -0.571 1.00 0.00 C ATOM 434 CD1 PHE A 28 -1.303 7.392 0.464 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.692 5.898 -1.315 1.00 0.00 C ATOM 436 CE1 PHE A 28 -0.093 6.715 0.769 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.482 5.220 -1.010 1.00 0.00 C ATOM 438 CZ PHE A 28 0.292 5.643 0.025 1.00 0.00 C ATOM 0 H PHE A 28 -2.126 7.714 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.116 9.311 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.893 7.944 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.033 7.026 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.609 8.243 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.306 5.563 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.522 7.051 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.177 4.369 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.213 5.128 0.256 1.00 0.00 H new ATOM 448 N VAL A 29 -1.436 10.035 -0.435 1.00 0.00 N ATOM 449 CA VAL A 29 -0.848 11.028 0.448 1.00 0.00 C ATOM 450 C VAL A 29 -1.397 12.411 0.091 1.00 0.00 C ATOM 451 O VAL A 29 -2.247 12.947 0.800 1.00 0.00 O ATOM 452 CB VAL A 29 0.679 10.954 0.376 1.00 0.00 C ATOM 453 CG1 VAL A 29 1.231 9.985 1.423 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.143 10.566 -1.029 1.00 0.00 C ATOM 0 H VAL A 29 -0.791 9.312 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.121 10.827 1.484 1.00 0.00 H new ATOM 0 HB VAL A 29 1.073 11.946 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.318 9.951 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.944 10.323 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.824 8.989 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.232 10.520 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.733 9.591 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.795 11.310 -1.746 1.00 0.00 H new ATOM 464 N GLU A 30 -0.889 12.948 -1.008 1.00 0.00 N ATOM 465 CA GLU A 30 -1.318 14.258 -1.468 1.00 0.00 C ATOM 466 C GLU A 30 -2.661 14.153 -2.192 1.00 0.00 C ATOM 467 O GLU A 30 -3.640 14.779 -1.787 1.00 0.00 O ATOM 468 CB GLU A 30 -0.259 14.897 -2.368 1.00 0.00 C ATOM 469 CG GLU A 30 -0.674 16.309 -2.787 1.00 0.00 C ATOM 470 CD GLU A 30 -1.393 16.292 -4.137 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.612 16.067 -4.187 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.641 16.523 -5.159 1.00 0.00 O ATOM 0 H GLU A 30 -0.184 12.500 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.446 14.903 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.695 14.936 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.110 14.280 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.328 16.740 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.207 16.948 -2.848 1.00 0.00 H new ATOM 480 N ASP A 31 -2.666 13.356 -3.250 1.00 0.00 N ATOM 481 CA ASP A 31 -3.874 13.160 -4.034 1.00 0.00 C ATOM 482 C ASP A 31 -5.079 13.076 -3.095 1.00 0.00 C ATOM 483 O ASP A 31 -5.908 13.983 -3.061 1.00 0.00 O ATOM 484 CB ASP A 31 -3.806 11.858 -4.835 1.00 0.00 C ATOM 485 CG ASP A 31 -3.797 12.033 -6.355 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.563 12.834 -6.910 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.946 11.294 -6.983 1.00 0.00 O ATOM 0 H ASP A 31 -1.853 12.838 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.970 14.001 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.907 11.315 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.658 11.236 -4.561 1.00 0.00 H new ATOM 493 N LEU A 32 -5.137 11.977 -2.356 1.00 0.00 N ATOM 494 CA LEU A 32 -6.226 11.762 -1.419 1.00 0.00 C ATOM 495 C LEU A 32 -5.903 12.466 -0.099 1.00 0.00 C ATOM 496 O LEU A 32 -5.999 13.688 -0.003 1.00 0.00 O ATOM 497 CB LEU A 32 -6.514 10.268 -1.265 1.00 0.00 C ATOM 498 CG LEU A 32 -7.075 9.562 -2.502 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.210 8.360 -2.887 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.539 9.171 -2.292 1.00 0.00 C ATOM 0 H LEU A 32 -4.447 11.226 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.148 12.202 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.590 9.768 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.220 10.137 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.045 10.261 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.631 7.876 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.197 8.696 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.186 7.650 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.914 8.671 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.617 8.497 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.131 10.066 -2.102 1.00 0.00 H new ATOM 512 N GLY A 33 -5.529 11.663 0.886 1.00 0.00 N ATOM 513 CA GLY A 33 -5.192 12.193 2.196 1.00 0.00 C ATOM 514 C GLY A 33 -4.751 11.074 3.143 1.00 0.00 C ATOM 515 O GLY A 33 -5.579 10.471 3.824 1.00 0.00 O ATOM 0 H GLY A 33 -5.452 10.649 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.394 12.929 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.054 12.711 2.616 1.00 0.00 H new ATOM 519 N ALA A 34 -3.449 10.832 3.156 1.00 0.00 N ATOM 520 CA ALA A 34 -2.889 9.797 4.009 1.00 0.00 C ATOM 521 C ALA A 34 -1.547 10.274 4.568 1.00 0.00 C ATOM 522 O ALA A 34 -0.490 9.895 4.065 1.00 0.00 O ATOM 523 CB ALA A 34 -2.760 8.496 3.214 1.00 0.00 C ATOM 0 H ALA A 34 -2.765 11.334 2.590 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.547 9.599 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.340 7.719 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.744 8.185 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.104 8.656 2.358 1.00 0.00 H new ATOM 529 N ASP A 35 -1.632 11.098 5.602 1.00 0.00 N ATOM 530 CA ASP A 35 -0.438 11.631 6.235 1.00 0.00 C ATOM 531 C ASP A 35 -0.425 11.228 7.711 1.00 0.00 C ATOM 532 O ASP A 35 -0.143 12.051 8.580 1.00 0.00 O ATOM 533 CB ASP A 35 -0.411 13.159 6.162 1.00 0.00 C ATOM 534 CG ASP A 35 0.969 13.770 5.907 1.00 0.00 C ATOM 535 OD1 ASP A 35 1.464 13.776 4.770 1.00 0.00 O ATOM 536 OD2 ASP A 35 1.549 14.261 6.949 1.00 0.00 O ATOM 0 H ASP A 35 -2.510 11.410 6.017 1.00 0.00 H new ATOM 0 HA ASP A 35 0.429 11.230 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.087 13.482 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.802 13.559 7.097 1.00 0.00 H new ATOM 542 N SER A 36 -0.735 9.961 7.948 1.00 0.00 N ATOM 543 CA SER A 36 -0.763 9.439 9.303 1.00 0.00 C ATOM 544 C SER A 36 -0.675 7.912 9.278 1.00 0.00 C ATOM 545 O SER A 36 0.369 7.341 9.589 1.00 0.00 O ATOM 546 CB SER A 36 -2.027 9.886 10.040 1.00 0.00 C ATOM 547 OG SER A 36 -1.732 10.443 11.318 1.00 0.00 O ATOM 0 H SER A 36 -0.969 9.281 7.224 1.00 0.00 H new ATOM 0 HA SER A 36 0.098 9.837 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.557 10.623 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.696 9.034 10.162 1.00 0.00 H new ATOM 0 HG SER A 36 -2.565 10.717 11.755 1.00 0.00 H new ATOM 553 N LEU A 37 -1.786 7.294 8.904 1.00 0.00 N ATOM 554 CA LEU A 37 -1.847 5.844 8.833 1.00 0.00 C ATOM 555 C LEU A 37 -1.496 5.391 7.414 1.00 0.00 C ATOM 556 O LEU A 37 -1.981 4.361 6.950 1.00 0.00 O ATOM 557 CB LEU A 37 -3.208 5.341 9.320 1.00 0.00 C ATOM 558 CG LEU A 37 -3.885 6.181 10.405 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.408 6.083 10.304 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.376 5.794 11.795 1.00 0.00 C ATOM 0 H LEU A 37 -2.650 7.771 8.647 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.110 5.399 9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.879 5.282 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.084 4.326 9.699 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.619 7.226 10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.864 6.689 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.732 6.446 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.715 5.044 10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.873 6.406 12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.592 4.742 11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.300 5.958 11.847 1.00 0.00 H new ATOM 572 N ASP A 38 -0.655 6.183 6.766 1.00 0.00 N ATOM 573 CA ASP A 38 -0.233 5.876 5.410 1.00 0.00 C ATOM 574 C ASP A 38 0.632 4.614 5.422 1.00 0.00 C ATOM 575 O ASP A 38 0.133 3.514 5.191 1.00 0.00 O ATOM 576 CB ASP A 38 0.603 7.016 4.822 1.00 0.00 C ATOM 577 CG ASP A 38 1.564 6.603 3.706 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.578 7.273 3.456 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.234 5.530 3.071 1.00 0.00 O ATOM 0 H ASP A 38 -0.254 7.037 7.155 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.127 5.733 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.072 7.780 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.179 7.476 5.625 1.00 0.00 H new ATOM 585 N THR A 39 1.913 4.815 5.695 1.00 0.00 N ATOM 586 CA THR A 39 2.851 3.707 5.741 1.00 0.00 C ATOM 587 C THR A 39 2.683 2.919 7.041 1.00 0.00 C ATOM 588 O THR A 39 2.396 1.723 7.014 1.00 0.00 O ATOM 589 CB THR A 39 4.260 4.272 5.550 1.00 0.00 C ATOM 590 OG1 THR A 39 4.396 4.396 4.137 1.00 0.00 O ATOM 591 CG2 THR A 39 5.350 3.272 5.943 1.00 0.00 C ATOM 0 H THR A 39 2.323 5.729 5.887 1.00 0.00 H new ATOM 0 HA THR A 39 2.660 2.994 4.939 1.00 0.00 H new ATOM 0 HB THR A 39 4.370 5.180 6.142 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.997 5.142 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.330 3.723 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.236 3.003 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.261 2.377 5.328 1.00 0.00 H new ATOM 599 N VAL A 40 2.869 3.621 8.149 1.00 0.00 N ATOM 600 CA VAL A 40 2.741 3.003 9.458 1.00 0.00 C ATOM 601 C VAL A 40 1.707 1.877 9.386 1.00 0.00 C ATOM 602 O VAL A 40 2.029 0.717 9.642 1.00 0.00 O ATOM 603 CB VAL A 40 2.399 4.063 10.507 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.751 3.426 11.738 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.639 4.870 10.895 1.00 0.00 C ATOM 0 H VAL A 40 3.108 4.613 8.167 1.00 0.00 H new ATOM 0 HA VAL A 40 3.687 2.557 9.764 1.00 0.00 H new ATOM 0 HB VAL A 40 1.677 4.751 10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.518 4.201 12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.833 2.917 11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.440 2.706 12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.368 5.616 11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.394 4.201 11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.040 5.369 10.012 1.00 0.00 H new ATOM 615 N GLU A 41 0.487 2.258 9.037 1.00 0.00 N ATOM 616 CA GLU A 41 -0.595 1.295 8.929 1.00 0.00 C ATOM 617 C GLU A 41 -0.317 0.309 7.793 1.00 0.00 C ATOM 618 O GLU A 41 -0.215 -0.895 8.023 1.00 0.00 O ATOM 619 CB GLU A 41 -1.938 2.000 8.726 1.00 0.00 C ATOM 620 CG GLU A 41 -2.934 1.608 9.819 1.00 0.00 C ATOM 621 CD GLU A 41 -2.693 2.415 11.096 1.00 0.00 C ATOM 622 OE1 GLU A 41 -3.653 2.763 11.799 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.456 2.678 11.350 1.00 0.00 O ATOM 0 H GLU A 41 0.224 3.221 8.825 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.652 0.736 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.791 3.080 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.345 1.741 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.951 1.775 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.842 0.543 10.035 1.00 0.00 H new ATOM 631 N LEU A 42 -0.201 0.856 6.592 1.00 0.00 N ATOM 632 CA LEU A 42 0.064 0.039 5.420 1.00 0.00 C ATOM 633 C LEU A 42 1.040 -1.078 5.793 1.00 0.00 C ATOM 634 O LEU A 42 0.869 -2.222 5.374 1.00 0.00 O ATOM 635 CB LEU A 42 0.541 0.910 4.256 1.00 0.00 C ATOM 636 CG LEU A 42 1.279 0.182 3.132 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.455 1.090 1.913 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.613 -0.380 3.626 1.00 0.00 C ATOM 0 H LEU A 42 -0.286 1.855 6.405 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.852 -0.440 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.325 1.415 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.198 1.684 4.653 1.00 0.00 H new ATOM 0 HG LEU A 42 0.670 -0.665 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.983 0.548 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.477 1.399 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.031 1.971 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.117 -0.893 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.241 0.436 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.433 -1.084 4.439 1.00 0.00 H new ATOM 650 N VAL A 43 2.043 -0.707 6.575 1.00 0.00 N ATOM 651 CA VAL A 43 3.047 -1.664 7.008 1.00 0.00 C ATOM 652 C VAL A 43 2.353 -2.906 7.571 1.00 0.00 C ATOM 653 O VAL A 43 2.444 -3.988 6.992 1.00 0.00 O ATOM 654 CB VAL A 43 3.999 -1.006 8.010 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.159 -1.941 8.359 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.514 0.333 7.478 1.00 0.00 C ATOM 0 H VAL A 43 2.182 0.243 6.920 1.00 0.00 H new ATOM 0 HA VAL A 43 3.656 -1.987 6.164 1.00 0.00 H new ATOM 0 HB VAL A 43 3.440 -0.810 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.820 -1.450 9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.767 -2.858 8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.717 -2.182 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.188 0.780 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.049 0.171 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.672 1.003 7.304 1.00 0.00 H new ATOM 666 N MET A 44 1.675 -2.709 8.692 1.00 0.00 N ATOM 667 CA MET A 44 0.966 -3.800 9.339 1.00 0.00 C ATOM 668 C MET A 44 0.163 -4.612 8.321 1.00 0.00 C ATOM 669 O MET A 44 0.332 -5.826 8.218 1.00 0.00 O ATOM 670 CB MET A 44 0.020 -3.235 10.401 1.00 0.00 C ATOM 671 CG MET A 44 0.797 -2.760 11.630 1.00 0.00 C ATOM 672 SD MET A 44 0.280 -3.677 13.072 1.00 0.00 S ATOM 673 CE MET A 44 1.272 -5.148 12.876 1.00 0.00 C ATOM 0 H MET A 44 1.602 -1.810 9.169 1.00 0.00 H new ATOM 0 HA MET A 44 1.699 -4.459 9.805 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.548 -2.404 9.982 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.701 -3.998 10.694 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.867 -2.894 11.468 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.629 -1.695 11.787 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.071 -5.834 13.699 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.023 -5.631 11.931 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.328 -4.878 12.878 1.00 0.00 H new ATOM 683 N ALA A 45 -0.693 -3.910 7.593 1.00 0.00 N ATOM 684 CA ALA A 45 -1.522 -4.551 6.587 1.00 0.00 C ATOM 685 C ALA A 45 -0.629 -5.319 5.611 1.00 0.00 C ATOM 686 O ALA A 45 -0.699 -6.545 5.533 1.00 0.00 O ATOM 687 CB ALA A 45 -2.380 -3.496 5.885 1.00 0.00 C ATOM 0 H ALA A 45 -0.830 -2.903 7.680 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.200 -5.269 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.002 -3.977 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.016 -2.999 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.733 -2.760 5.407 1.00 0.00 H new ATOM 693 N LEU A 46 0.190 -4.567 4.890 1.00 0.00 N ATOM 694 CA LEU A 46 1.096 -5.163 3.922 1.00 0.00 C ATOM 695 C LEU A 46 1.898 -6.276 4.599 1.00 0.00 C ATOM 696 O LEU A 46 2.415 -7.168 3.928 1.00 0.00 O ATOM 697 CB LEU A 46 1.966 -4.086 3.271 1.00 0.00 C ATOM 698 CG LEU A 46 1.304 -3.269 2.160 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.317 -2.347 1.479 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.594 -4.181 1.157 1.00 0.00 C ATOM 0 H LEU A 46 0.245 -3.551 4.957 1.00 0.00 H new ATOM 0 HA LEU A 46 0.536 -5.624 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.302 -3.400 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.856 -4.564 2.862 1.00 0.00 H new ATOM 0 HG LEU A 46 0.543 -2.633 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.820 -1.778 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.736 -1.661 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.117 -2.945 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.132 -3.575 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.318 -4.860 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.174 -4.759 1.671 1.00 0.00 H new ATOM 712 N GLU A 47 1.976 -6.188 5.918 1.00 0.00 N ATOM 713 CA GLU A 47 2.706 -7.177 6.693 1.00 0.00 C ATOM 714 C GLU A 47 1.841 -8.419 6.919 1.00 0.00 C ATOM 715 O GLU A 47 2.263 -9.535 6.622 1.00 0.00 O ATOM 716 CB GLU A 47 3.181 -6.590 8.024 1.00 0.00 C ATOM 717 CG GLU A 47 4.606 -6.046 7.906 1.00 0.00 C ATOM 718 CD GLU A 47 5.618 -7.026 8.501 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.976 -6.906 9.683 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.036 -7.938 7.691 1.00 0.00 O ATOM 0 H GLU A 47 1.545 -5.447 6.471 1.00 0.00 H new ATOM 0 HA GLU A 47 3.590 -7.472 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.507 -5.791 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.144 -7.357 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.844 -5.864 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.677 -5.088 8.420 1.00 0.00 H new ATOM 728 N GLU A 48 0.647 -8.182 7.442 1.00 0.00 N ATOM 729 CA GLU A 48 -0.281 -9.267 7.711 1.00 0.00 C ATOM 730 C GLU A 48 -0.630 -10.000 6.414 1.00 0.00 C ATOM 731 O GLU A 48 -0.824 -11.215 6.416 1.00 0.00 O ATOM 732 CB GLU A 48 -1.542 -8.750 8.406 1.00 0.00 C ATOM 733 CG GLU A 48 -1.640 -9.288 9.835 1.00 0.00 C ATOM 734 CD GLU A 48 -2.719 -10.368 9.941 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.574 -11.449 9.352 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.736 -10.052 10.669 1.00 0.00 O ATOM 0 H GLU A 48 0.301 -7.254 7.687 1.00 0.00 H new ATOM 0 HA GLU A 48 0.202 -9.974 8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.531 -7.660 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.423 -9.051 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.678 -9.699 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.869 -8.472 10.520 1.00 0.00 H new ATOM 744 N GLU A 49 -0.700 -9.231 5.337 1.00 0.00 N ATOM 745 CA GLU A 49 -1.023 -9.792 4.037 1.00 0.00 C ATOM 746 C GLU A 49 -0.266 -11.104 3.822 1.00 0.00 C ATOM 747 O GLU A 49 -0.877 -12.162 3.680 1.00 0.00 O ATOM 748 CB GLU A 49 -0.719 -8.794 2.918 1.00 0.00 C ATOM 749 CG GLU A 49 -1.013 -9.402 1.545 1.00 0.00 C ATOM 750 CD GLU A 49 -2.341 -8.882 0.989 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.401 -9.132 1.580 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.244 -8.196 -0.099 1.00 0.00 O ATOM 0 H GLU A 49 -0.538 -8.224 5.339 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.092 -10.003 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.318 -7.894 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.327 -8.492 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.205 -9.159 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.048 -10.489 1.624 1.00 0.00 H new ATOM 760 N PHE A 50 1.054 -10.992 3.804 1.00 0.00 N ATOM 761 CA PHE A 50 1.901 -12.157 3.609 1.00 0.00 C ATOM 762 C PHE A 50 2.974 -12.243 4.697 1.00 0.00 C ATOM 763 O PHE A 50 2.959 -13.159 5.517 1.00 0.00 O ATOM 764 CB PHE A 50 2.583 -11.991 2.249 1.00 0.00 C ATOM 765 CG PHE A 50 2.111 -12.990 1.191 1.00 0.00 C ATOM 766 CD1 PHE A 50 0.918 -12.805 0.565 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.885 -14.063 0.876 1.00 0.00 C ATOM 768 CE1 PHE A 50 0.480 -13.732 -0.417 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.447 -14.991 -0.106 1.00 0.00 C ATOM 770 CZ PHE A 50 1.254 -14.806 -0.732 1.00 0.00 C ATOM 0 H PHE A 50 1.558 -10.113 3.921 1.00 0.00 H new ATOM 0 HA PHE A 50 1.301 -13.066 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.403 -10.979 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.660 -12.096 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.304 -11.953 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.833 -14.209 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.467 -13.585 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.061 -15.843 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.921 -15.511 -1.479 1.00 0.00 H new ATOM 780 N ASP A 51 3.879 -11.276 4.668 1.00 0.00 N ATOM 781 CA ASP A 51 4.957 -11.231 5.641 1.00 0.00 C ATOM 782 C ASP A 51 6.117 -10.410 5.074 1.00 0.00 C ATOM 783 O ASP A 51 7.052 -10.965 4.498 1.00 0.00 O ATOM 784 CB ASP A 51 5.479 -12.635 5.950 1.00 0.00 C ATOM 785 CG ASP A 51 5.002 -13.225 7.279 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.034 -12.738 7.883 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.677 -14.241 7.698 1.00 0.00 O ATOM 0 H ASP A 51 3.888 -10.518 3.986 1.00 0.00 H new ATOM 0 HA ASP A 51 4.567 -10.782 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.177 -13.304 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.569 -12.609 5.952 1.00 0.00 H new ATOM 793 N THR A 52 6.018 -9.101 5.256 1.00 0.00 N ATOM 794 CA THR A 52 7.047 -8.198 4.769 1.00 0.00 C ATOM 795 C THR A 52 6.837 -6.794 5.339 1.00 0.00 C ATOM 796 O THR A 52 5.901 -6.096 4.951 1.00 0.00 O ATOM 797 CB THR A 52 7.031 -8.243 3.240 1.00 0.00 C ATOM 798 OG1 THR A 52 8.083 -7.362 2.856 1.00 0.00 O ATOM 799 CG2 THR A 52 5.774 -7.601 2.649 1.00 0.00 C ATOM 0 H THR A 52 5.241 -8.644 5.734 1.00 0.00 H new ATOM 0 HA THR A 52 8.036 -8.507 5.106 1.00 0.00 H new ATOM 0 HB THR A 52 7.102 -9.278 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.708 -6.489 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.813 -7.659 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.892 -8.130 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.721 -6.556 2.955 1.00 0.00 H new ATOM 807 N GLU A 53 7.724 -6.420 6.250 1.00 0.00 N ATOM 808 CA GLU A 53 7.647 -5.112 6.876 1.00 0.00 C ATOM 809 C GLU A 53 8.082 -4.025 5.891 1.00 0.00 C ATOM 810 O GLU A 53 9.271 -3.735 5.767 1.00 0.00 O ATOM 811 CB GLU A 53 8.490 -5.064 8.152 1.00 0.00 C ATOM 812 CG GLU A 53 9.969 -5.301 7.841 1.00 0.00 C ATOM 813 CD GLU A 53 10.678 -5.968 9.022 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.318 -5.717 10.183 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.633 -6.772 8.701 1.00 0.00 O ATOM 0 H GLU A 53 8.500 -7.001 6.569 1.00 0.00 H new ATOM 0 HA GLU A 53 6.610 -4.927 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.367 -4.096 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.137 -5.819 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.062 -5.929 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.453 -4.352 7.611 1.00 0.00 H new ATOM 823 N ILE A 54 7.096 -3.454 5.216 1.00 0.00 N ATOM 824 CA ILE A 54 7.362 -2.406 4.245 1.00 0.00 C ATOM 825 C ILE A 54 8.457 -1.483 4.785 1.00 0.00 C ATOM 826 O ILE A 54 8.300 -0.881 5.846 1.00 0.00 O ATOM 827 CB ILE A 54 6.069 -1.675 3.877 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.073 -1.263 2.403 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.830 -0.483 4.805 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.124 -0.183 2.139 1.00 0.00 C ATOM 0 H ILE A 54 6.111 -3.697 5.322 1.00 0.00 H new ATOM 0 HA ILE A 54 7.735 -2.835 3.315 1.00 0.00 H new ATOM 0 HB ILE A 54 5.235 -2.363 4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.276 -2.133 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.087 -0.892 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.905 0.019 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.752 -0.833 5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.662 0.216 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.106 0.092 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.904 0.695 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.111 -0.565 2.398 1.00 0.00 H new ATOM 842 N PRO A 55 9.572 -1.400 4.010 1.00 0.00 N ATOM 843 CA PRO A 55 10.693 -0.561 4.399 1.00 0.00 C ATOM 844 C PRO A 55 10.378 0.918 4.166 1.00 0.00 C ATOM 845 O PRO A 55 9.694 1.267 3.205 1.00 0.00 O ATOM 846 CB PRO A 55 11.863 -1.057 3.566 1.00 0.00 C ATOM 847 CG PRO A 55 11.253 -1.837 2.413 1.00 0.00 C ATOM 848 CD PRO A 55 9.794 -2.099 2.748 1.00 0.00 C ATOM 0 HA PRO A 55 10.921 -0.630 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.463 -0.224 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.524 -1.689 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.336 -1.273 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.785 -2.777 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.134 -1.723 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.596 -3.166 2.846 1.00 0.00 H new ATOM 856 N ASP A 56 10.892 1.748 5.062 1.00 0.00 N ATOM 857 CA ASP A 56 10.674 3.181 4.966 1.00 0.00 C ATOM 858 C ASP A 56 11.352 3.712 3.702 1.00 0.00 C ATOM 859 O ASP A 56 10.702 4.322 2.854 1.00 0.00 O ATOM 860 CB ASP A 56 11.276 3.912 6.168 1.00 0.00 C ATOM 861 CG ASP A 56 10.949 5.404 6.248 1.00 0.00 C ATOM 862 OD1 ASP A 56 10.884 6.100 5.223 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.754 5.857 7.440 1.00 0.00 O ATOM 0 H ASP A 56 11.459 1.455 5.858 1.00 0.00 H new ATOM 0 HA ASP A 56 9.599 3.357 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.926 3.429 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.359 3.794 6.141 1.00 0.00 H new ATOM 869 N GLU A 57 12.650 3.462 3.615 1.00 0.00 N ATOM 870 CA GLU A 57 13.424 3.907 2.469 1.00 0.00 C ATOM 871 C GLU A 57 12.616 3.729 1.182 1.00 0.00 C ATOM 872 O GLU A 57 12.799 4.475 0.221 1.00 0.00 O ATOM 873 CB GLU A 57 14.758 3.164 2.385 1.00 0.00 C ATOM 874 CG GLU A 57 14.543 1.687 2.051 1.00 0.00 C ATOM 875 CD GLU A 57 15.861 1.016 1.659 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.021 0.590 0.505 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.739 0.945 2.601 1.00 0.00 O ATOM 0 H GLU A 57 13.186 2.956 4.320 1.00 0.00 H new ATOM 0 HA GLU A 57 13.644 4.967 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.388 3.625 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.288 3.253 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.112 1.175 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.827 1.596 1.234 1.00 0.00 H new ATOM 885 N GLU A 58 11.738 2.737 1.204 1.00 0.00 N ATOM 886 CA GLU A 58 10.901 2.451 0.051 1.00 0.00 C ATOM 887 C GLU A 58 9.500 3.032 0.255 1.00 0.00 C ATOM 888 O GLU A 58 8.918 3.595 -0.670 1.00 0.00 O ATOM 889 CB GLU A 58 10.836 0.947 -0.220 1.00 0.00 C ATOM 890 CG GLU A 58 11.193 0.636 -1.675 1.00 0.00 C ATOM 891 CD GLU A 58 10.219 -0.380 -2.274 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.955 -1.423 -1.659 1.00 0.00 O ATOM 893 OE2 GLU A 58 9.728 -0.053 -3.421 1.00 0.00 O ATOM 0 H GLU A 58 11.588 2.121 2.003 1.00 0.00 H new ATOM 0 HA GLU A 58 11.347 2.926 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.522 0.424 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.834 0.577 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.173 1.554 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.209 0.246 -1.728 1.00 0.00 H new ATOM 901 N ALA A 59 9.001 2.876 1.472 1.00 0.00 N ATOM 902 CA ALA A 59 7.680 3.378 1.809 1.00 0.00 C ATOM 903 C ALA A 59 7.625 4.882 1.535 1.00 0.00 C ATOM 904 O ALA A 59 6.544 5.460 1.436 1.00 0.00 O ATOM 905 CB ALA A 59 7.361 3.040 3.267 1.00 0.00 C ATOM 0 H ALA A 59 9.488 2.409 2.237 1.00 0.00 H new ATOM 0 HA ALA A 59 6.920 2.902 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.370 3.417 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.384 1.959 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.102 3.503 3.918 1.00 0.00 H new ATOM 911 N GLU A 60 8.806 5.474 1.420 1.00 0.00 N ATOM 912 CA GLU A 60 8.906 6.899 1.159 1.00 0.00 C ATOM 913 C GLU A 60 9.174 7.150 -0.327 1.00 0.00 C ATOM 914 O GLU A 60 9.095 8.285 -0.793 1.00 0.00 O ATOM 915 CB GLU A 60 9.990 7.541 2.027 1.00 0.00 C ATOM 916 CG GLU A 60 9.457 8.784 2.741 1.00 0.00 C ATOM 917 CD GLU A 60 10.337 10.002 2.453 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.571 9.882 2.423 1.00 0.00 O ATOM 919 OE2 GLU A 60 9.696 11.103 2.254 1.00 0.00 O ATOM 0 H GLU A 60 9.701 4.992 1.503 1.00 0.00 H new ATOM 0 HA GLU A 60 7.955 7.363 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.346 6.820 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.844 7.812 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.436 8.984 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.421 8.603 3.815 1.00 0.00 H new ATOM 927 N LYS A 61 9.486 6.070 -1.029 1.00 0.00 N ATOM 928 CA LYS A 61 9.767 6.158 -2.452 1.00 0.00 C ATOM 929 C LYS A 61 8.527 5.729 -3.239 1.00 0.00 C ATOM 930 O LYS A 61 8.434 5.976 -4.440 1.00 0.00 O ATOM 931 CB LYS A 61 11.024 5.360 -2.801 1.00 0.00 C ATOM 932 CG LYS A 61 12.278 6.228 -2.675 1.00 0.00 C ATOM 933 CD LYS A 61 13.059 6.257 -3.991 1.00 0.00 C ATOM 934 CE LYS A 61 14.565 6.166 -3.736 1.00 0.00 C ATOM 935 NZ LYS A 61 15.313 6.281 -5.008 1.00 0.00 N ATOM 0 H LYS A 61 9.550 5.130 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 61 9.984 7.188 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.107 4.497 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.944 4.976 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.996 7.242 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.914 5.841 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.743 5.428 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.833 7.176 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.873 6.958 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.802 5.218 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.333 6.217 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.031 5.511 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.101 7.196 -5.454 1.00 0.00 H new ATOM 948 N ILE A 62 7.607 5.092 -2.530 1.00 0.00 N ATOM 949 CA ILE A 62 6.377 4.625 -3.148 1.00 0.00 C ATOM 950 C ILE A 62 5.450 5.817 -3.393 1.00 0.00 C ATOM 951 O ILE A 62 5.025 6.056 -4.522 1.00 0.00 O ATOM 952 CB ILE A 62 5.743 3.516 -2.306 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.136 4.081 -1.021 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.749 2.399 -2.022 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.626 2.959 -0.115 1.00 0.00 C ATOM 0 H ILE A 62 7.688 4.888 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 62 6.585 4.177 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 62 4.928 3.076 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.884 4.670 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.316 4.755 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.272 1.624 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.091 1.970 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.601 2.806 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.200 3.389 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.861 2.387 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.453 2.301 0.150 1.00 0.00 H new ATOM 967 N THR A 63 5.164 6.535 -2.316 1.00 0.00 N ATOM 968 CA THR A 63 4.295 7.696 -2.400 1.00 0.00 C ATOM 969 C THR A 63 3.020 7.354 -3.173 1.00 0.00 C ATOM 970 O THR A 63 2.316 8.246 -3.643 1.00 0.00 O ATOM 971 CB THR A 63 5.096 8.841 -3.025 1.00 0.00 C ATOM 972 OG1 THR A 63 5.151 8.510 -4.410 1.00 0.00 O ATOM 973 CG2 THR A 63 6.560 8.841 -2.584 1.00 0.00 C ATOM 0 H THR A 63 5.519 6.335 -1.381 1.00 0.00 H new ATOM 0 HA THR A 63 3.962 8.013 -1.412 1.00 0.00 H new ATOM 0 HB THR A 63 4.637 9.793 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.900 7.571 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.082 9.673 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.614 8.947 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.029 7.903 -2.880 1.00 0.00 H new ATOM 981 N THR A 64 2.761 6.059 -3.280 1.00 0.00 N ATOM 982 CA THR A 64 1.583 5.587 -3.988 1.00 0.00 C ATOM 983 C THR A 64 1.230 4.165 -3.548 1.00 0.00 C ATOM 984 O THR A 64 1.792 3.654 -2.580 1.00 0.00 O ATOM 985 CB THR A 64 1.853 5.709 -5.489 1.00 0.00 C ATOM 986 OG1 THR A 64 3.137 5.117 -5.660 1.00 0.00 O ATOM 987 CG2 THR A 64 2.049 7.160 -5.933 1.00 0.00 C ATOM 0 H THR A 64 3.347 5.322 -2.888 1.00 0.00 H new ATOM 0 HA THR A 64 0.709 6.193 -3.750 1.00 0.00 H new ATOM 0 HB THR A 64 1.024 5.269 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.830 5.802 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.237 7.190 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.151 7.734 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.899 7.591 -5.403 1.00 0.00 H new ATOM 995 N VAL A 65 0.301 3.567 -4.279 1.00 0.00 N ATOM 996 CA VAL A 65 -0.134 2.214 -3.976 1.00 0.00 C ATOM 997 C VAL A 65 0.636 1.227 -4.855 1.00 0.00 C ATOM 998 O VAL A 65 1.259 0.294 -4.348 1.00 0.00 O ATOM 999 CB VAL A 65 -1.651 2.103 -4.139 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.146 0.714 -3.731 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.370 3.196 -3.346 1.00 0.00 C ATOM 0 H VAL A 65 -0.163 3.995 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 65 0.086 1.965 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.885 2.246 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.228 0.662 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.671 -0.040 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.892 0.530 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.447 3.094 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.125 3.099 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.051 4.175 -3.704 1.00 0.00 H new ATOM 1011 N GLN A 66 0.569 1.465 -6.156 1.00 0.00 N ATOM 1012 CA GLN A 66 1.252 0.609 -7.110 1.00 0.00 C ATOM 1013 C GLN A 66 2.609 0.171 -6.554 1.00 0.00 C ATOM 1014 O GLN A 66 2.904 -1.022 -6.495 1.00 0.00 O ATOM 1015 CB GLN A 66 1.414 1.311 -8.460 1.00 0.00 C ATOM 1016 CG GLN A 66 2.008 0.363 -9.504 1.00 0.00 C ATOM 1017 CD GLN A 66 1.499 -1.066 -9.300 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.313 -1.345 -9.367 1.00 0.00 O ATOM 1019 NE2 GLN A 66 2.458 -1.951 -9.047 1.00 0.00 N ATOM 0 H GLN A 66 0.052 2.239 -6.572 1.00 0.00 H new ATOM 0 HA GLN A 66 0.643 -0.280 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.445 1.675 -8.803 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.059 2.182 -8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.745 0.707 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.096 0.378 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.432 -1.650 -9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.220 -2.931 -8.895 1.00 0.00 H new ATOM 1028 N ALA A 67 3.398 1.159 -6.160 1.00 0.00 N ATOM 1029 CA ALA A 67 4.716 0.891 -5.611 1.00 0.00 C ATOM 1030 C ALA A 67 4.604 -0.188 -4.532 1.00 0.00 C ATOM 1031 O ALA A 67 5.375 -1.146 -4.525 1.00 0.00 O ATOM 1032 CB ALA A 67 5.321 2.191 -5.075 1.00 0.00 C ATOM 0 H ALA A 67 3.150 2.147 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 67 5.385 0.516 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.310 1.989 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.406 2.914 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.678 2.596 -4.294 1.00 0.00 H new ATOM 1038 N ALA A 68 3.638 0.004 -3.646 1.00 0.00 N ATOM 1039 CA ALA A 68 3.416 -0.940 -2.565 1.00 0.00 C ATOM 1040 C ALA A 68 3.219 -2.341 -3.149 1.00 0.00 C ATOM 1041 O ALA A 68 3.424 -3.339 -2.461 1.00 0.00 O ATOM 1042 CB ALA A 68 2.220 -0.485 -1.726 1.00 0.00 C ATOM 0 H ALA A 68 3.000 0.800 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 68 4.282 -0.977 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.054 -1.194 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.422 0.502 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.331 -0.438 -2.355 1.00 0.00 H new ATOM 1048 N ILE A 69 2.823 -2.369 -4.413 1.00 0.00 N ATOM 1049 CA ILE A 69 2.596 -3.630 -5.098 1.00 0.00 C ATOM 1050 C ILE A 69 3.876 -4.049 -5.824 1.00 0.00 C ATOM 1051 O ILE A 69 4.368 -5.160 -5.631 1.00 0.00 O ATOM 1052 CB ILE A 69 1.374 -3.530 -6.014 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.123 -3.149 -5.220 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.177 -4.823 -6.809 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.840 -2.324 -6.075 1.00 0.00 C ATOM 0 H ILE A 69 2.654 -1.539 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 69 2.364 -4.417 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 69 1.552 -2.733 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.378 -4.051 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.409 -2.579 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.302 -4.725 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.058 -5.011 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.030 -5.655 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.720 -2.067 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.344 -1.411 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.143 -2.906 -6.946 1.00 0.00 H new ATOM 1067 N ASP A 70 4.378 -3.138 -6.644 1.00 0.00 N ATOM 1068 CA ASP A 70 5.591 -3.399 -7.400 1.00 0.00 C ATOM 1069 C ASP A 70 6.688 -3.878 -6.447 1.00 0.00 C ATOM 1070 O ASP A 70 7.629 -4.550 -6.866 1.00 0.00 O ATOM 1071 CB ASP A 70 6.091 -2.131 -8.095 1.00 0.00 C ATOM 1072 CG ASP A 70 7.440 -2.270 -8.803 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.495 -2.354 -8.156 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.380 -2.290 -10.092 1.00 0.00 O ATOM 0 H ASP A 70 3.967 -2.218 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 70 5.363 -4.156 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.345 -1.817 -8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.167 -1.335 -7.354 1.00 0.00 H new ATOM 1080 N TYR A 71 6.529 -3.514 -5.183 1.00 0.00 N ATOM 1081 CA TYR A 71 7.494 -3.899 -4.167 1.00 0.00 C ATOM 1082 C TYR A 71 7.209 -5.309 -3.646 1.00 0.00 C ATOM 1083 O TYR A 71 8.117 -6.131 -3.541 1.00 0.00 O ATOM 1084 CB TYR A 71 7.321 -2.900 -3.021 1.00 0.00 C ATOM 1085 CG TYR A 71 7.587 -3.490 -1.635 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.835 -3.993 -1.327 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.579 -3.520 -0.693 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.085 -4.549 -0.023 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.830 -4.076 0.612 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.070 -4.563 0.883 1.00 0.00 C ATOM 1091 OH TYR A 71 8.307 -5.088 2.115 1.00 0.00 O ATOM 0 H TYR A 71 5.747 -2.957 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 71 8.504 -3.895 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.995 -2.058 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.306 -2.505 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.624 -3.969 -2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.602 -3.127 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.057 -4.946 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.050 -4.105 1.359 1.00 0.00 H new ATOM 0 HH TYR A 71 8.977 -5.800 2.044 1.00 0.00 H new ATOM 1101 N ILE A 72 5.943 -5.544 -3.332 1.00 0.00 N ATOM 1102 CA ILE A 72 5.527 -6.840 -2.825 1.00 0.00 C ATOM 1103 C ILE A 72 5.642 -7.881 -3.940 1.00 0.00 C ATOM 1104 O ILE A 72 5.640 -9.083 -3.676 1.00 0.00 O ATOM 1105 CB ILE A 72 4.129 -6.751 -2.209 1.00 0.00 C ATOM 1106 CG1 ILE A 72 4.083 -5.694 -1.104 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.660 -8.120 -1.713 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.636 -6.250 0.210 1.00 0.00 C ATOM 0 H ILE A 72 5.192 -4.859 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 72 6.186 -7.162 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 72 3.433 -6.435 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.662 -4.821 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.056 -5.360 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.664 -8.028 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.629 -8.819 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.352 -8.489 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.592 -5.478 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.040 -7.107 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.671 -6.561 0.067 1.00 0.00 H new ATOM 1120 N ASN A 73 5.740 -7.382 -5.164 1.00 0.00 N ATOM 1121 CA ASN A 73 5.855 -8.254 -6.320 1.00 0.00 C ATOM 1122 C ASN A 73 7.333 -8.552 -6.583 1.00 0.00 C ATOM 1123 O ASN A 73 7.674 -9.619 -7.091 1.00 0.00 O ATOM 1124 CB ASN A 73 5.277 -7.590 -7.571 1.00 0.00 C ATOM 1125 CG ASN A 73 4.039 -8.339 -8.067 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.101 -9.174 -8.954 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.914 -7.994 -7.447 1.00 0.00 N ATOM 0 H ASN A 73 5.742 -6.385 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 73 5.301 -9.169 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.016 -6.555 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.032 -7.568 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.032 -8.437 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.933 -7.287 -6.712 1.00 0.00 H new ATOM 1134 N GLY A 74 8.170 -7.589 -6.226 1.00 0.00 N ATOM 1135 CA GLY A 74 9.603 -7.735 -6.417 1.00 0.00 C ATOM 1136 C GLY A 74 10.201 -8.685 -5.378 1.00 0.00 C ATOM 1137 O GLY A 74 11.396 -8.974 -5.411 1.00 0.00 O ATOM 0 H GLY A 74 7.883 -6.705 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.803 -8.114 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.084 -6.760 -6.343 1.00 0.00 H new ATOM 1141 N HIS A 75 9.343 -9.145 -4.479 1.00 0.00 N ATOM 1142 CA HIS A 75 9.771 -10.056 -3.433 1.00 0.00 C ATOM 1143 C HIS A 75 9.082 -11.410 -3.617 1.00 0.00 C ATOM 1144 O HIS A 75 9.716 -12.383 -4.024 1.00 0.00 O ATOM 1145 CB HIS A 75 9.525 -9.450 -2.050 1.00 0.00 C ATOM 1146 CG HIS A 75 10.751 -9.413 -1.168 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.407 -8.238 -0.845 1.00 0.00 N ATOM 1148 CD2 HIS A 75 11.432 -10.418 -0.546 1.00 0.00 C ATOM 1149 CE1 HIS A 75 12.435 -8.535 -0.064 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.449 -9.886 0.120 1.00 0.00 N ATOM 0 H HIS A 75 8.352 -8.903 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 75 10.846 -10.221 -3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.147 -8.435 -2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.746 -10.023 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.185 -11.469 -0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.139 -7.830 0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.129 -10.403 0.678 1.00 0.00 H new ATOM 1158 N GLN A 76 7.794 -11.429 -3.309 1.00 0.00 N ATOM 1159 CA GLN A 76 7.012 -12.647 -3.436 1.00 0.00 C ATOM 1160 C GLN A 76 7.609 -13.754 -2.565 1.00 0.00 C ATOM 1161 O GLN A 76 8.361 -14.596 -3.054 1.00 0.00 O ATOM 1162 CB GLN A 76 6.919 -13.089 -4.898 1.00 0.00 C ATOM 1163 CG GLN A 76 5.586 -12.662 -5.516 1.00 0.00 C ATOM 1164 CD GLN A 76 4.408 -13.166 -4.682 1.00 0.00 C ATOM 1165 OE1 GLN A 76 4.104 -14.347 -4.640 1.00 0.00 O ATOM 1166 NE2 GLN A 76 3.762 -12.209 -4.022 1.00 0.00 N ATOM 0 H GLN A 76 7.272 -10.620 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 76 5.999 -12.444 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.742 -12.656 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.023 -14.172 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.546 -11.575 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.510 -13.052 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.068 -11.239 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.960 -12.445 -3.437 1.00 0.00 H new ATOM 1175 N ALA A 77 7.252 -13.718 -1.290 1.00 0.00 N ATOM 1176 CA ALA A 77 7.743 -14.708 -0.347 1.00 0.00 C ATOM 1177 C ALA A 77 6.936 -14.615 0.950 1.00 0.00 C ATOM 1178 O ALA A 77 6.692 -15.626 1.607 1.00 0.00 O ATOM 1179 CB ALA A 77 9.241 -14.496 -0.118 1.00 0.00 C ATOM 0 H ALA A 77 6.628 -13.018 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 77 7.613 -15.715 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.610 -15.239 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.772 -14.601 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.410 -13.497 0.284 1.00 0.00 H new TER 1185 ALA A 77