USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 46 LYS NZ :NH3+ -173:sc= 0.492 (180deg=0.439) USER MOD Set 1.2: A 66 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl -149:sc= -0.0298 (180deg=-0.17) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -162:sc= 0.703 (180deg=0.515) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.103 (180deg=-1.79!) USER MOD Single : A 18 CYS SG : rot 42:sc= 0.00399 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0.193 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -150:sc= -0.328 USER MOD Single : A 34 GLN :FLIP amide:sc= 0.745 F(o=0.15,f=0.74) USER MOD Single : A 37 THR OG1 : rot -156:sc= -1.02 USER MOD Single : A 38 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.417 K(o=-0.42,f=-2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -22:sc= 0.0807 USER MOD Single : A 60 TYR OH : rot -53:sc= -0.547 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.041) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-6.5e-05) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.475 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.478 6.639 5.621 1.00 0.84 N ATOM 2 CA MET A 1 9.584 5.445 5.669 1.00 0.52 C ATOM 3 C MET A 1 8.203 5.853 6.194 1.00 0.48 C ATOM 4 O MET A 1 8.082 6.472 7.237 1.00 0.68 O ATOM 5 CB MET A 1 10.191 4.388 6.599 1.00 0.74 C ATOM 6 CG MET A 1 10.413 3.087 5.823 1.00 0.87 C ATOM 7 SD MET A 1 11.494 1.991 6.777 1.00 1.12 S ATOM 8 CE MET A 1 12.424 1.317 5.377 1.00 1.23 C ATOM 0 H1 MET A 1 11.414 6.358 5.264 1.00 0.84 H new ATOM 0 H2 MET A 1 10.067 7.355 4.989 1.00 0.84 H new ATOM 0 H3 MET A 1 10.577 7.037 6.577 1.00 0.84 H new ATOM 0 HA MET A 1 9.481 5.033 4.665 1.00 0.52 H new ATOM 0 HB2 MET A 1 11.137 4.747 7.005 1.00 0.74 H new ATOM 0 HB3 MET A 1 9.528 4.210 7.445 1.00 0.74 H new ATOM 0 HG2 MET A 1 9.458 2.597 5.632 1.00 0.87 H new ATOM 0 HG3 MET A 1 10.860 3.302 4.853 1.00 0.87 H new ATOM 0 HE1 MET A 1 12.730 0.295 5.601 1.00 1.23 H new ATOM 0 HE2 MET A 1 11.795 1.320 4.487 1.00 1.23 H new ATOM 0 HE3 MET A 1 13.308 1.929 5.199 1.00 1.23 H new ATOM 18 N ILE A 2 7.160 5.504 5.477 1.00 0.35 N ATOM 19 CA ILE A 2 5.777 5.859 5.923 1.00 0.33 C ATOM 20 C ILE A 2 4.926 4.586 6.034 1.00 0.32 C ATOM 21 O ILE A 2 5.257 3.553 5.479 1.00 0.34 O ATOM 22 CB ILE A 2 5.128 6.823 4.918 1.00 0.36 C ATOM 23 CG1 ILE A 2 5.130 6.202 3.515 1.00 0.39 C ATOM 24 CG2 ILE A 2 5.909 8.141 4.892 1.00 0.40 C ATOM 25 CD1 ILE A 2 3.951 6.749 2.709 1.00 0.58 C ATOM 0 H ILE A 2 7.209 4.987 4.599 1.00 0.35 H new ATOM 0 HA ILE A 2 5.835 6.345 6.897 1.00 0.33 H new ATOM 0 HB ILE A 2 4.099 7.013 5.224 1.00 0.36 H new ATOM 0 HG12 ILE A 2 6.067 6.430 3.007 1.00 0.39 H new ATOM 0 HG13 ILE A 2 5.062 5.117 3.587 1.00 0.39 H new ATOM 0 HG21 ILE A 2 5.447 8.824 4.179 1.00 0.40 H new ATOM 0 HG22 ILE A 2 5.897 8.591 5.885 1.00 0.40 H new ATOM 0 HG23 ILE A 2 6.939 7.947 4.594 1.00 0.40 H new ATOM 0 HD11 ILE A 2 3.955 6.306 1.713 1.00 0.58 H new ATOM 0 HD12 ILE A 2 3.018 6.499 3.214 1.00 0.58 H new ATOM 0 HD13 ILE A 2 4.039 7.832 2.625 1.00 0.58 H new ATOM 37 N GLU A 3 3.831 4.662 6.749 1.00 0.34 N ATOM 38 CA GLU A 3 2.941 3.471 6.911 1.00 0.36 C ATOM 39 C GLU A 3 1.599 3.747 6.225 1.00 0.37 C ATOM 40 O GLU A 3 1.006 4.791 6.414 1.00 0.50 O ATOM 41 CB GLU A 3 2.717 3.211 8.403 1.00 0.41 C ATOM 42 CG GLU A 3 2.753 1.704 8.676 1.00 0.50 C ATOM 43 CD GLU A 3 1.369 1.098 8.413 1.00 0.59 C ATOM 44 OE1 GLU A 3 0.453 1.420 9.152 1.00 0.92 O ATOM 45 OE2 GLU A 3 1.251 0.322 7.478 1.00 0.70 O ATOM 0 H GLU A 3 3.514 5.503 7.230 1.00 0.34 H new ATOM 0 HA GLU A 3 3.405 2.595 6.457 1.00 0.36 H new ATOM 0 HB2 GLU A 3 3.486 3.715 8.989 1.00 0.41 H new ATOM 0 HB3 GLU A 3 1.757 3.624 8.714 1.00 0.41 H new ATOM 0 HG2 GLU A 3 3.497 1.227 8.038 1.00 0.50 H new ATOM 0 HG3 GLU A 3 3.052 1.519 9.708 1.00 0.50 H new ATOM 52 N VAL A 4 1.121 2.825 5.422 1.00 0.31 N ATOM 53 CA VAL A 4 -0.181 3.044 4.713 1.00 0.33 C ATOM 54 C VAL A 4 -1.104 1.832 4.900 1.00 0.32 C ATOM 55 O VAL A 4 -0.654 0.722 5.133 1.00 0.41 O ATOM 56 CB VAL A 4 0.082 3.272 3.217 1.00 0.36 C ATOM 57 CG1 VAL A 4 0.956 4.516 3.033 1.00 0.48 C ATOM 58 CG2 VAL A 4 0.802 2.059 2.620 1.00 0.43 C ATOM 0 H VAL A 4 1.575 1.933 5.227 1.00 0.31 H new ATOM 0 HA VAL A 4 -0.670 3.922 5.136 1.00 0.33 H new ATOM 0 HB VAL A 4 -0.872 3.412 2.708 1.00 0.36 H new ATOM 0 HG11 VAL A 4 1.142 4.676 1.971 1.00 0.48 H new ATOM 0 HG12 VAL A 4 0.444 5.385 3.447 1.00 0.48 H new ATOM 0 HG13 VAL A 4 1.905 4.374 3.550 1.00 0.48 H new ATOM 0 HG21 VAL A 4 0.984 2.230 1.559 1.00 0.43 H new ATOM 0 HG22 VAL A 4 1.753 1.912 3.132 1.00 0.43 H new ATOM 0 HG23 VAL A 4 0.182 1.171 2.743 1.00 0.43 H new ATOM 68 N VAL A 5 -2.395 2.046 4.788 1.00 0.30 N ATOM 69 CA VAL A 5 -3.373 0.923 4.945 1.00 0.32 C ATOM 70 C VAL A 5 -3.928 0.545 3.565 1.00 0.29 C ATOM 71 O VAL A 5 -4.474 1.372 2.859 1.00 0.39 O ATOM 72 CB VAL A 5 -4.522 1.348 5.876 1.00 0.43 C ATOM 73 CG1 VAL A 5 -3.981 1.556 7.295 1.00 0.58 C ATOM 74 CG2 VAL A 5 -5.156 2.656 5.377 1.00 0.52 C ATOM 0 H VAL A 5 -2.814 2.955 4.594 1.00 0.30 H new ATOM 0 HA VAL A 5 -2.870 0.062 5.386 1.00 0.32 H new ATOM 0 HB VAL A 5 -5.280 0.564 5.880 1.00 0.43 H new ATOM 0 HG11 VAL A 5 -4.795 1.857 7.954 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -3.545 0.625 7.658 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -3.217 2.334 7.283 1.00 0.58 H new ATOM 0 HG21 VAL A 5 -5.967 2.945 6.045 1.00 0.52 H new ATOM 0 HG22 VAL A 5 -4.402 3.443 5.361 1.00 0.52 H new ATOM 0 HG23 VAL A 5 -5.549 2.509 4.371 1.00 0.52 H new ATOM 84 N VAL A 6 -3.779 -0.697 3.174 1.00 0.31 N ATOM 85 CA VAL A 6 -4.285 -1.132 1.834 1.00 0.33 C ATOM 86 C VAL A 6 -5.601 -1.896 2.009 1.00 0.34 C ATOM 87 O VAL A 6 -5.653 -2.915 2.674 1.00 0.49 O ATOM 88 CB VAL A 6 -3.249 -2.038 1.153 1.00 0.45 C ATOM 89 CG1 VAL A 6 -3.556 -2.118 -0.344 1.00 0.71 C ATOM 90 CG2 VAL A 6 -1.840 -1.463 1.346 1.00 0.50 C ATOM 0 H VAL A 6 -3.329 -1.428 3.724 1.00 0.31 H new ATOM 0 HA VAL A 6 -4.454 -0.254 1.211 1.00 0.33 H new ATOM 0 HB VAL A 6 -3.296 -3.032 1.598 1.00 0.45 H new ATOM 0 HG11 VAL A 6 -2.823 -2.760 -0.832 1.00 0.71 H new ATOM 0 HG12 VAL A 6 -4.554 -2.531 -0.489 1.00 0.71 H new ATOM 0 HG13 VAL A 6 -3.510 -1.120 -0.779 1.00 0.71 H new ATOM 0 HG21 VAL A 6 -1.112 -2.112 0.860 1.00 0.50 H new ATOM 0 HG22 VAL A 6 -1.790 -0.467 0.905 1.00 0.50 H new ATOM 0 HG23 VAL A 6 -1.615 -1.400 2.411 1.00 0.50 H new ATOM 100 N ASN A 7 -6.663 -1.405 1.418 1.00 0.31 N ATOM 101 CA ASN A 7 -7.985 -2.088 1.544 1.00 0.33 C ATOM 102 C ASN A 7 -8.383 -2.699 0.199 1.00 0.33 C ATOM 103 O ASN A 7 -8.620 -1.995 -0.768 1.00 0.39 O ATOM 104 CB ASN A 7 -9.046 -1.074 1.977 1.00 0.37 C ATOM 105 CG ASN A 7 -8.810 -0.691 3.438 1.00 0.49 C ATOM 106 OD1 ASN A 7 -9.426 -1.243 4.328 1.00 0.69 O ATOM 107 ND2 ASN A 7 -7.937 0.238 3.726 1.00 0.72 N ATOM 0 H ASN A 7 -6.669 -0.557 0.852 1.00 0.31 H new ATOM 0 HA ASN A 7 -7.910 -2.879 2.291 1.00 0.33 H new ATOM 0 HB2 ASN A 7 -8.999 -0.188 1.344 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -10.043 -1.499 1.857 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -7.773 0.500 4.698 1.00 0.72 H new ATOM 0 HD22 ASN A 7 -7.420 0.701 2.979 1.00 0.72 H new ATOM 114 N ASP A 8 -8.465 -4.006 0.134 1.00 0.33 N ATOM 115 CA ASP A 8 -8.854 -4.679 -1.142 1.00 0.36 C ATOM 116 C ASP A 8 -10.368 -4.546 -1.347 1.00 0.39 C ATOM 117 O ASP A 8 -11.137 -4.588 -0.401 1.00 0.46 O ATOM 118 CB ASP A 8 -8.467 -6.161 -1.079 1.00 0.40 C ATOM 119 CG ASP A 8 -8.474 -6.756 -2.492 1.00 0.42 C ATOM 120 OD1 ASP A 8 -7.491 -6.581 -3.195 1.00 0.44 O ATOM 121 OD2 ASP A 8 -9.460 -7.379 -2.847 1.00 0.60 O ATOM 0 H ASP A 8 -8.278 -4.637 0.914 1.00 0.33 H new ATOM 0 HA ASP A 8 -8.334 -4.208 -1.976 1.00 0.36 H new ATOM 0 HB2 ASP A 8 -7.479 -6.270 -0.633 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -9.166 -6.703 -0.442 1.00 0.40 H new ATOM 126 N ARG A 9 -10.796 -4.379 -2.577 1.00 0.46 N ATOM 127 CA ARG A 9 -12.259 -4.230 -2.863 1.00 0.52 C ATOM 128 C ARG A 9 -13.017 -5.495 -2.433 1.00 0.50 C ATOM 129 O ARG A 9 -14.122 -5.411 -1.929 1.00 0.58 O ATOM 130 CB ARG A 9 -12.474 -3.996 -4.362 1.00 0.64 C ATOM 131 CG ARG A 9 -13.606 -2.985 -4.564 1.00 1.01 C ATOM 132 CD ARG A 9 -14.231 -3.185 -5.944 1.00 1.53 C ATOM 133 NE ARG A 9 -15.619 -3.701 -5.783 1.00 2.45 N ATOM 134 CZ ARG A 9 -15.856 -4.981 -5.879 1.00 3.26 C ATOM 135 NH1 ARG A 9 -16.127 -5.504 -7.047 1.00 3.83 N ATOM 136 NH2 ARG A 9 -15.821 -5.731 -4.804 1.00 3.90 N ATOM 0 H ARG A 9 -10.192 -4.339 -3.398 1.00 0.46 H new ATOM 0 HA ARG A 9 -12.639 -3.377 -2.301 1.00 0.52 H new ATOM 0 HB2 ARG A 9 -11.556 -3.626 -4.818 1.00 0.64 H new ATOM 0 HB3 ARG A 9 -12.719 -4.936 -4.856 1.00 0.64 H new ATOM 0 HG2 ARG A 9 -14.362 -3.111 -3.789 1.00 1.01 H new ATOM 0 HG3 ARG A 9 -13.221 -1.969 -4.472 1.00 1.01 H new ATOM 0 HD2 ARG A 9 -14.242 -2.243 -6.492 1.00 1.53 H new ATOM 0 HD3 ARG A 9 -13.635 -3.886 -6.528 1.00 1.53 H new ATOM 0 HE ARG A 9 -16.385 -3.053 -5.598 1.00 2.45 H new ATOM 0 HH11 ARG A 9 -16.152 -4.912 -7.877 1.00 3.83 H new ATOM 0 HH12 ARG A 9 -16.313 -6.504 -7.127 1.00 3.83 H new ATOM 0 HH21 ARG A 9 -15.609 -5.314 -3.898 1.00 3.90 H new ATOM 0 HH22 ARG A 9 -16.006 -6.732 -4.874 1.00 3.90 H new ATOM 150 N LEU A 10 -12.437 -6.660 -2.625 1.00 0.49 N ATOM 151 CA LEU A 10 -13.131 -7.925 -2.222 1.00 0.60 C ATOM 152 C LEU A 10 -13.335 -7.937 -0.701 1.00 0.63 C ATOM 153 O LEU A 10 -14.423 -8.197 -0.218 1.00 0.87 O ATOM 154 CB LEU A 10 -12.284 -9.137 -2.636 1.00 0.72 C ATOM 155 CG LEU A 10 -13.025 -9.944 -3.710 1.00 1.29 C ATOM 156 CD1 LEU A 10 -12.293 -9.814 -5.048 1.00 1.63 C ATOM 157 CD2 LEU A 10 -13.079 -11.419 -3.295 1.00 1.88 C ATOM 0 H LEU A 10 -11.515 -6.787 -3.043 1.00 0.49 H new ATOM 0 HA LEU A 10 -14.100 -7.977 -2.719 1.00 0.60 H new ATOM 0 HB2 LEU A 10 -11.319 -8.805 -3.019 1.00 0.72 H new ATOM 0 HB3 LEU A 10 -12.084 -9.766 -1.769 1.00 0.72 H new ATOM 0 HG LEU A 10 -14.039 -9.559 -3.816 1.00 1.29 H new ATOM 0 HD11 LEU A 10 -12.821 -10.388 -5.809 1.00 1.63 H new ATOM 0 HD12 LEU A 10 -12.258 -8.765 -5.343 1.00 1.63 H new ATOM 0 HD13 LEU A 10 -11.277 -10.196 -4.946 1.00 1.63 H new ATOM 0 HD21 LEU A 10 -13.605 -11.993 -4.058 1.00 1.88 H new ATOM 0 HD22 LEU A 10 -12.065 -11.804 -3.187 1.00 1.88 H new ATOM 0 HD23 LEU A 10 -13.605 -11.511 -2.345 1.00 1.88 H new ATOM 169 N GLY A 11 -12.298 -7.651 0.052 1.00 0.53 N ATOM 170 CA GLY A 11 -12.422 -7.637 1.543 1.00 0.63 C ATOM 171 C GLY A 11 -11.092 -8.060 2.167 1.00 0.61 C ATOM 172 O GLY A 11 -11.002 -9.088 2.815 1.00 0.81 O ATOM 0 H GLY A 11 -11.369 -7.426 -0.304 1.00 0.53 H new ATOM 0 HA2 GLY A 11 -12.697 -6.640 1.887 1.00 0.63 H new ATOM 0 HA3 GLY A 11 -13.216 -8.313 1.859 1.00 0.63 H new ATOM 176 N LYS A 12 -10.060 -7.276 1.968 1.00 0.47 N ATOM 177 CA LYS A 12 -8.723 -7.621 2.536 1.00 0.46 C ATOM 178 C LYS A 12 -8.038 -6.354 3.060 1.00 0.42 C ATOM 179 O LYS A 12 -7.675 -5.477 2.297 1.00 0.53 O ATOM 180 CB LYS A 12 -7.861 -8.251 1.440 1.00 0.52 C ATOM 181 CG LYS A 12 -6.885 -9.249 2.063 1.00 0.84 C ATOM 182 CD LYS A 12 -7.238 -10.663 1.602 1.00 1.08 C ATOM 183 CE LYS A 12 -5.964 -11.507 1.513 1.00 1.45 C ATOM 184 NZ LYS A 12 -6.078 -12.470 0.379 1.00 2.26 N ATOM 0 H LYS A 12 -10.089 -6.408 1.433 1.00 0.47 H new ATOM 0 HA LYS A 12 -8.848 -8.325 3.359 1.00 0.46 H new ATOM 0 HB2 LYS A 12 -8.495 -8.755 0.710 1.00 0.52 H new ATOM 0 HB3 LYS A 12 -7.312 -7.476 0.905 1.00 0.52 H new ATOM 0 HG2 LYS A 12 -5.863 -9.005 1.772 1.00 0.84 H new ATOM 0 HG3 LYS A 12 -6.930 -9.188 3.150 1.00 0.84 H new ATOM 0 HD2 LYS A 12 -7.940 -11.119 2.300 1.00 1.08 H new ATOM 0 HD3 LYS A 12 -7.731 -10.627 0.631 1.00 1.08 H new ATOM 0 HE2 LYS A 12 -5.098 -10.861 1.369 1.00 1.45 H new ATOM 0 HE3 LYS A 12 -5.808 -12.047 2.447 1.00 1.45 H new ATOM 0 HZ1 LYS A 12 -5.211 -13.042 0.321 1.00 2.26 H new ATOM 0 HZ2 LYS A 12 -6.895 -13.094 0.535 1.00 2.26 H new ATOM 0 HZ3 LYS A 12 -6.207 -11.946 -0.510 1.00 2.26 H new ATOM 198 N LYS A 13 -7.853 -6.258 4.354 1.00 0.38 N ATOM 199 CA LYS A 13 -7.185 -5.055 4.936 1.00 0.39 C ATOM 200 C LYS A 13 -5.768 -5.430 5.385 1.00 0.35 C ATOM 201 O LYS A 13 -5.585 -6.204 6.311 1.00 0.40 O ATOM 202 CB LYS A 13 -7.996 -4.546 6.131 1.00 0.51 C ATOM 203 CG LYS A 13 -7.882 -3.021 6.210 1.00 0.63 C ATOM 204 CD LYS A 13 -7.278 -2.616 7.558 1.00 0.71 C ATOM 205 CE LYS A 13 -5.765 -2.421 7.408 1.00 0.68 C ATOM 206 NZ LYS A 13 -5.048 -3.172 8.478 1.00 1.48 N ATOM 0 H LYS A 13 -8.137 -6.964 5.033 1.00 0.38 H new ATOM 0 HA LYS A 13 -7.127 -4.267 4.185 1.00 0.39 H new ATOM 0 HB2 LYS A 13 -9.041 -4.839 6.027 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -7.629 -4.997 7.053 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -7.259 -2.651 5.396 1.00 0.63 H new ATOM 0 HG3 LYS A 13 -8.866 -2.567 6.090 1.00 0.63 H new ATOM 0 HD2 LYS A 13 -7.740 -1.694 7.912 1.00 0.71 H new ATOM 0 HD3 LYS A 13 -7.483 -3.383 8.305 1.00 0.71 H new ATOM 0 HE2 LYS A 13 -5.440 -2.769 6.427 1.00 0.68 H new ATOM 0 HE3 LYS A 13 -5.518 -1.361 7.468 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 -4.145 -3.529 8.106 1.00 1.48 H new ATOM 0 HZ2 LYS A 13 -4.865 -2.539 9.283 1.00 1.48 H new ATOM 0 HZ3 LYS A 13 -5.633 -3.972 8.793 1.00 1.48 H new ATOM 220 N VAL A 14 -4.765 -4.893 4.726 1.00 0.32 N ATOM 221 CA VAL A 14 -3.351 -5.217 5.095 1.00 0.31 C ATOM 222 C VAL A 14 -2.559 -3.923 5.333 1.00 0.31 C ATOM 223 O VAL A 14 -2.789 -2.913 4.692 1.00 0.38 O ATOM 224 CB VAL A 14 -2.696 -6.014 3.958 1.00 0.36 C ATOM 225 CG1 VAL A 14 -1.312 -6.499 4.401 1.00 0.47 C ATOM 226 CG2 VAL A 14 -3.570 -7.223 3.608 1.00 0.44 C ATOM 0 H VAL A 14 -4.868 -4.243 3.947 1.00 0.32 H new ATOM 0 HA VAL A 14 -3.348 -5.810 6.009 1.00 0.31 H new ATOM 0 HB VAL A 14 -2.594 -5.373 3.082 1.00 0.36 H new ATOM 0 HG11 VAL A 14 -0.849 -7.065 3.593 1.00 0.47 H new ATOM 0 HG12 VAL A 14 -0.687 -5.640 4.648 1.00 0.47 H new ATOM 0 HG13 VAL A 14 -1.414 -7.138 5.278 1.00 0.47 H new ATOM 0 HG21 VAL A 14 -3.104 -7.788 2.801 1.00 0.44 H new ATOM 0 HG22 VAL A 14 -3.675 -7.862 4.485 1.00 0.44 H new ATOM 0 HG23 VAL A 14 -4.554 -6.880 3.289 1.00 0.44 H new ATOM 236 N ARG A 15 -1.621 -3.961 6.252 1.00 0.29 N ATOM 237 CA ARG A 15 -0.789 -2.755 6.554 1.00 0.30 C ATOM 238 C ARG A 15 0.614 -2.943 5.968 1.00 0.30 C ATOM 239 O ARG A 15 1.256 -3.954 6.196 1.00 0.47 O ATOM 240 CB ARG A 15 -0.673 -2.585 8.069 1.00 0.34 C ATOM 241 CG ARG A 15 -1.943 -1.938 8.617 1.00 0.64 C ATOM 242 CD ARG A 15 -1.562 -0.752 9.497 1.00 0.97 C ATOM 243 NE ARG A 15 -2.610 -0.536 10.533 1.00 1.07 N ATOM 244 CZ ARG A 15 -2.903 0.678 10.915 1.00 1.39 C ATOM 245 NH1 ARG A 15 -2.077 1.333 11.696 1.00 2.15 N ATOM 246 NH2 ARG A 15 -4.014 1.242 10.510 1.00 1.66 N ATOM 0 H ARG A 15 -1.396 -4.785 6.810 1.00 0.29 H new ATOM 0 HA ARG A 15 -1.258 -1.874 6.116 1.00 0.30 H new ATOM 0 HB2 ARG A 15 -0.515 -3.554 8.542 1.00 0.34 H new ATOM 0 HB3 ARG A 15 0.193 -1.968 8.309 1.00 0.34 H new ATOM 0 HG2 ARG A 15 -2.580 -1.608 7.797 1.00 0.64 H new ATOM 0 HG3 ARG A 15 -2.516 -2.664 9.193 1.00 0.64 H new ATOM 0 HD2 ARG A 15 -0.599 -0.935 9.973 1.00 0.97 H new ATOM 0 HD3 ARG A 15 -1.450 0.144 8.887 1.00 0.97 H new ATOM 0 HE ARG A 15 -3.097 -1.333 10.943 1.00 1.07 H new ATOM 0 HH11 ARG A 15 -1.209 0.894 12.003 1.00 2.15 H new ATOM 0 HH12 ARG A 15 -2.303 2.281 11.996 1.00 2.15 H new ATOM 0 HH21 ARG A 15 -4.650 0.733 9.896 1.00 1.66 H new ATOM 0 HH22 ARG A 15 -4.243 2.190 10.808 1.00 1.66 H new ATOM 260 N VAL A 16 1.098 -1.977 5.223 1.00 0.27 N ATOM 261 CA VAL A 16 2.463 -2.101 4.625 1.00 0.29 C ATOM 262 C VAL A 16 3.190 -0.748 4.697 1.00 0.29 C ATOM 263 O VAL A 16 2.602 0.297 4.480 1.00 0.35 O ATOM 264 CB VAL A 16 2.339 -2.569 3.166 1.00 0.34 C ATOM 265 CG1 VAL A 16 1.662 -1.488 2.315 1.00 0.43 C ATOM 266 CG2 VAL A 16 3.733 -2.868 2.601 1.00 0.44 C ATOM 0 H VAL A 16 0.607 -1.110 5.004 1.00 0.27 H new ATOM 0 HA VAL A 16 3.043 -2.835 5.185 1.00 0.29 H new ATOM 0 HB VAL A 16 1.731 -3.473 3.137 1.00 0.34 H new ATOM 0 HG11 VAL A 16 1.581 -1.834 1.284 1.00 0.43 H new ATOM 0 HG12 VAL A 16 0.666 -1.286 2.709 1.00 0.43 H new ATOM 0 HG13 VAL A 16 2.257 -0.575 2.346 1.00 0.43 H new ATOM 0 HG21 VAL A 16 3.643 -3.200 1.567 1.00 0.44 H new ATOM 0 HG22 VAL A 16 4.343 -1.966 2.641 1.00 0.44 H new ATOM 0 HG23 VAL A 16 4.205 -3.652 3.193 1.00 0.44 H new ATOM 276 N LYS A 17 4.467 -0.767 5.011 1.00 0.34 N ATOM 277 CA LYS A 17 5.244 0.510 5.106 1.00 0.35 C ATOM 278 C LYS A 17 6.276 0.589 3.971 1.00 0.32 C ATOM 279 O LYS A 17 6.875 -0.401 3.589 1.00 0.43 O ATOM 280 CB LYS A 17 5.958 0.587 6.466 1.00 0.44 C ATOM 281 CG LYS A 17 6.964 -0.564 6.615 1.00 0.50 C ATOM 282 CD LYS A 17 8.393 -0.013 6.549 1.00 0.67 C ATOM 283 CE LYS A 17 9.350 -1.117 6.086 1.00 0.84 C ATOM 284 NZ LYS A 17 9.593 -0.992 4.618 1.00 0.94 N ATOM 0 H LYS A 17 5.003 -1.613 5.205 1.00 0.34 H new ATOM 0 HA LYS A 17 4.554 1.349 5.014 1.00 0.35 H new ATOM 0 HB2 LYS A 17 6.474 1.543 6.558 1.00 0.44 H new ATOM 0 HB3 LYS A 17 5.224 0.542 7.271 1.00 0.44 H new ATOM 0 HG2 LYS A 17 6.806 -1.078 7.563 1.00 0.50 H new ATOM 0 HG3 LYS A 17 6.810 -1.299 5.825 1.00 0.50 H new ATOM 0 HD2 LYS A 17 8.436 0.831 5.861 1.00 0.67 H new ATOM 0 HD3 LYS A 17 8.696 0.358 7.528 1.00 0.67 H new ATOM 0 HE2 LYS A 17 10.293 -1.044 6.628 1.00 0.84 H new ATOM 0 HE3 LYS A 17 8.927 -2.096 6.312 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 9.977 -1.887 4.252 1.00 0.94 H new ATOM 0 HZ2 LYS A 17 8.697 -0.777 4.135 1.00 0.94 H new ATOM 0 HZ3 LYS A 17 10.274 -0.225 4.443 1.00 0.94 H new ATOM 298 N CYS A 18 6.485 1.770 3.434 1.00 0.28 N ATOM 299 CA CYS A 18 7.474 1.946 2.324 1.00 0.33 C ATOM 300 C CYS A 18 7.964 3.401 2.295 1.00 0.30 C ATOM 301 O CYS A 18 7.366 4.279 2.893 1.00 0.41 O ATOM 302 CB CYS A 18 6.809 1.606 0.985 1.00 0.46 C ATOM 303 SG CYS A 18 7.395 -0.006 0.407 1.00 0.83 S ATOM 0 H CYS A 18 6.008 2.625 3.721 1.00 0.28 H new ATOM 0 HA CYS A 18 8.322 1.281 2.489 1.00 0.33 H new ATOM 0 HB2 CYS A 18 5.725 1.590 1.100 1.00 0.46 H new ATOM 0 HB3 CYS A 18 7.041 2.374 0.247 1.00 0.46 H new ATOM 0 HG CYS A 18 7.440 -0.835 1.407 1.00 0.83 H new ATOM 309 N LEU A 19 9.047 3.663 1.601 1.00 0.40 N ATOM 310 CA LEU A 19 9.581 5.058 1.524 1.00 0.39 C ATOM 311 C LEU A 19 8.890 5.815 0.386 1.00 0.38 C ATOM 312 O LEU A 19 8.481 5.230 -0.604 1.00 0.42 O ATOM 313 CB LEU A 19 11.089 5.016 1.255 1.00 0.44 C ATOM 314 CG LEU A 19 11.857 5.059 2.578 1.00 0.76 C ATOM 315 CD1 LEU A 19 12.808 3.863 2.652 1.00 1.25 C ATOM 316 CD2 LEU A 19 12.664 6.359 2.659 1.00 1.14 C ATOM 0 H LEU A 19 9.584 2.967 1.084 1.00 0.40 H new ATOM 0 HA LEU A 19 9.389 5.566 2.469 1.00 0.39 H new ATOM 0 HB2 LEU A 19 11.344 4.109 0.706 1.00 0.44 H new ATOM 0 HB3 LEU A 19 11.379 5.860 0.629 1.00 0.44 H new ATOM 0 HG LEU A 19 11.153 5.017 3.409 1.00 0.76 H new ATOM 0 HD11 LEU A 19 13.356 3.892 3.594 1.00 1.25 H new ATOM 0 HD12 LEU A 19 12.234 2.938 2.594 1.00 1.25 H new ATOM 0 HD13 LEU A 19 13.512 3.906 1.821 1.00 1.25 H new ATOM 0 HD21 LEU A 19 13.211 6.390 3.601 1.00 1.14 H new ATOM 0 HD22 LEU A 19 13.369 6.402 1.829 1.00 1.14 H new ATOM 0 HD23 LEU A 19 11.987 7.212 2.605 1.00 1.14 H new ATOM 328 N ALA A 20 8.774 7.115 0.515 1.00 0.39 N ATOM 329 CA ALA A 20 8.129 7.928 -0.562 1.00 0.44 C ATOM 330 C ALA A 20 9.011 7.904 -1.820 1.00 0.39 C ATOM 331 O ALA A 20 8.534 8.114 -2.921 1.00 0.42 O ATOM 332 CB ALA A 20 7.961 9.374 -0.085 1.00 0.55 C ATOM 0 H ALA A 20 9.099 7.648 1.322 1.00 0.39 H new ATOM 0 HA ALA A 20 7.151 7.508 -0.794 1.00 0.44 H new ATOM 0 HB1 ALA A 20 7.491 9.964 -0.872 1.00 0.55 H new ATOM 0 HB2 ALA A 20 7.334 9.393 0.807 1.00 0.55 H new ATOM 0 HB3 ALA A 20 8.938 9.796 0.150 1.00 0.55 H new ATOM 338 N GLU A 21 10.291 7.636 -1.663 1.00 0.37 N ATOM 339 CA GLU A 21 11.212 7.583 -2.840 1.00 0.39 C ATOM 340 C GLU A 21 11.064 6.232 -3.555 1.00 0.37 C ATOM 341 O GLU A 21 11.403 6.105 -4.718 1.00 0.44 O ATOM 342 CB GLU A 21 12.664 7.760 -2.372 1.00 0.45 C ATOM 343 CG GLU A 21 13.033 6.665 -1.357 1.00 0.46 C ATOM 344 CD GLU A 21 13.989 5.657 -2.005 1.00 0.64 C ATOM 345 OE1 GLU A 21 15.168 5.959 -2.093 1.00 1.00 O ATOM 346 OE2 GLU A 21 13.527 4.598 -2.397 1.00 0.88 O ATOM 0 H GLU A 21 10.735 7.451 -0.763 1.00 0.37 H new ATOM 0 HA GLU A 21 10.955 8.387 -3.530 1.00 0.39 H new ATOM 0 HB2 GLU A 21 13.338 7.714 -3.228 1.00 0.45 H new ATOM 0 HB3 GLU A 21 12.790 8.743 -1.919 1.00 0.45 H new ATOM 0 HG2 GLU A 21 13.501 7.112 -0.480 1.00 0.46 H new ATOM 0 HG3 GLU A 21 12.132 6.157 -1.013 1.00 0.46 H new ATOM 353 N ASP A 22 10.562 5.226 -2.869 1.00 0.36 N ATOM 354 CA ASP A 22 10.394 3.887 -3.508 1.00 0.41 C ATOM 355 C ASP A 22 9.322 3.969 -4.601 1.00 0.40 C ATOM 356 O ASP A 22 8.421 4.790 -4.544 1.00 0.47 O ATOM 357 CB ASP A 22 9.977 2.854 -2.453 1.00 0.48 C ATOM 358 CG ASP A 22 11.219 2.132 -1.922 1.00 0.59 C ATOM 359 OD1 ASP A 22 11.756 1.305 -2.642 1.00 0.82 O ATOM 360 OD2 ASP A 22 11.614 2.417 -0.804 1.00 0.71 O ATOM 0 H ASP A 22 10.263 5.280 -1.895 1.00 0.36 H new ATOM 0 HA ASP A 22 11.341 3.581 -3.952 1.00 0.41 H new ATOM 0 HB2 ASP A 22 9.453 3.347 -1.634 1.00 0.48 H new ATOM 0 HB3 ASP A 22 9.284 2.134 -2.888 1.00 0.48 H new ATOM 365 N SER A 23 9.422 3.127 -5.600 1.00 0.44 N ATOM 366 CA SER A 23 8.423 3.150 -6.713 1.00 0.49 C ATOM 367 C SER A 23 7.216 2.270 -6.368 1.00 0.40 C ATOM 368 O SER A 23 7.257 1.467 -5.452 1.00 0.41 O ATOM 369 CB SER A 23 9.081 2.637 -7.999 1.00 0.63 C ATOM 370 OG SER A 23 9.532 1.301 -7.806 1.00 0.73 O ATOM 0 H SER A 23 10.154 2.423 -5.693 1.00 0.44 H new ATOM 0 HA SER A 23 8.080 4.174 -6.857 1.00 0.49 H new ATOM 0 HB2 SER A 23 8.369 2.675 -8.824 1.00 0.63 H new ATOM 0 HB3 SER A 23 9.919 3.278 -8.271 1.00 0.63 H new ATOM 0 HG SER A 23 9.951 0.975 -8.630 1.00 0.73 H new ATOM 376 N VAL A 24 6.141 2.415 -7.114 1.00 0.37 N ATOM 377 CA VAL A 24 4.918 1.586 -6.862 1.00 0.35 C ATOM 378 C VAL A 24 5.280 0.103 -7.018 1.00 0.31 C ATOM 379 O VAL A 24 4.733 -0.746 -6.338 1.00 0.34 O ATOM 380 CB VAL A 24 3.826 1.965 -7.871 1.00 0.40 C ATOM 381 CG1 VAL A 24 2.602 1.062 -7.686 1.00 0.47 C ATOM 382 CG2 VAL A 24 3.418 3.426 -7.654 1.00 0.48 C ATOM 0 H VAL A 24 6.060 3.074 -7.888 1.00 0.37 H new ATOM 0 HA VAL A 24 4.548 1.767 -5.853 1.00 0.35 H new ATOM 0 HB VAL A 24 4.214 1.836 -8.881 1.00 0.40 H new ATOM 0 HG11 VAL A 24 1.833 1.339 -8.407 1.00 0.47 H new ATOM 0 HG12 VAL A 24 2.890 0.023 -7.844 1.00 0.47 H new ATOM 0 HG13 VAL A 24 2.212 1.181 -6.675 1.00 0.47 H new ATOM 0 HG21 VAL A 24 2.642 3.697 -8.370 1.00 0.48 H new ATOM 0 HG22 VAL A 24 3.036 3.550 -6.641 1.00 0.48 H new ATOM 0 HG23 VAL A 24 4.285 4.071 -7.797 1.00 0.48 H new ATOM 392 N GLY A 25 6.214 -0.208 -7.895 1.00 0.29 N ATOM 393 CA GLY A 25 6.637 -1.628 -8.084 1.00 0.32 C ATOM 394 C GLY A 25 7.178 -2.158 -6.755 1.00 0.31 C ATOM 395 O GLY A 25 6.784 -3.215 -6.297 1.00 0.35 O ATOM 0 H GLY A 25 6.699 0.467 -8.486 1.00 0.29 H new ATOM 0 HA2 GLY A 25 5.793 -2.233 -8.417 1.00 0.32 H new ATOM 0 HA3 GLY A 25 7.402 -1.695 -8.857 1.00 0.32 H new ATOM 399 N ASP A 26 8.061 -1.412 -6.124 1.00 0.34 N ATOM 400 CA ASP A 26 8.622 -1.841 -4.806 1.00 0.39 C ATOM 401 C ASP A 26 7.482 -1.938 -3.784 1.00 0.36 C ATOM 402 O ASP A 26 7.450 -2.837 -2.965 1.00 0.40 O ATOM 403 CB ASP A 26 9.654 -0.814 -4.326 1.00 0.49 C ATOM 404 CG ASP A 26 10.490 -1.412 -3.190 1.00 0.73 C ATOM 405 OD1 ASP A 26 10.083 -1.283 -2.046 1.00 0.99 O ATOM 406 OD2 ASP A 26 11.526 -1.987 -3.483 1.00 0.93 O ATOM 0 H ASP A 26 8.416 -0.521 -6.471 1.00 0.34 H new ATOM 0 HA ASP A 26 9.106 -2.812 -4.912 1.00 0.39 H new ATOM 0 HB2 ASP A 26 10.302 -0.522 -5.152 1.00 0.49 H new ATOM 0 HB3 ASP A 26 9.150 0.089 -3.982 1.00 0.49 H new ATOM 411 N PHE A 27 6.541 -1.021 -3.843 1.00 0.36 N ATOM 412 CA PHE A 27 5.382 -1.050 -2.898 1.00 0.39 C ATOM 413 C PHE A 27 4.613 -2.365 -3.090 1.00 0.33 C ATOM 414 O PHE A 27 4.256 -3.029 -2.133 1.00 0.37 O ATOM 415 CB PHE A 27 4.459 0.139 -3.194 1.00 0.45 C ATOM 416 CG PHE A 27 3.390 0.233 -2.132 1.00 0.41 C ATOM 417 CD1 PHE A 27 2.247 -0.570 -2.218 1.00 0.53 C ATOM 418 CD2 PHE A 27 3.542 1.121 -1.061 1.00 0.68 C ATOM 419 CE1 PHE A 27 1.257 -0.486 -1.237 1.00 0.56 C ATOM 420 CE2 PHE A 27 2.550 1.204 -0.078 1.00 0.70 C ATOM 421 CZ PHE A 27 1.408 0.401 -0.167 1.00 0.47 C ATOM 0 H PHE A 27 6.529 -0.250 -4.511 1.00 0.36 H new ATOM 0 HA PHE A 27 5.737 -0.983 -1.870 1.00 0.39 H new ATOM 0 HB2 PHE A 27 5.038 1.062 -3.223 1.00 0.45 H new ATOM 0 HB3 PHE A 27 4.000 0.019 -4.175 1.00 0.45 H new ATOM 0 HD1 PHE A 27 2.131 -1.256 -3.044 1.00 0.53 H new ATOM 0 HD2 PHE A 27 4.424 1.741 -0.993 1.00 0.68 H new ATOM 0 HE1 PHE A 27 0.375 -1.106 -1.305 1.00 0.56 H new ATOM 0 HE2 PHE A 27 2.666 1.888 0.750 1.00 0.70 H new ATOM 0 HZ PHE A 27 0.642 0.466 0.592 1.00 0.47 H new ATOM 431 N LYS A 28 4.371 -2.743 -4.326 1.00 0.32 N ATOM 432 CA LYS A 28 3.639 -4.016 -4.610 1.00 0.33 C ATOM 433 C LYS A 28 4.506 -5.211 -4.196 1.00 0.30 C ATOM 434 O LYS A 28 3.996 -6.256 -3.841 1.00 0.34 O ATOM 435 CB LYS A 28 3.334 -4.107 -6.109 1.00 0.39 C ATOM 436 CG LYS A 28 2.223 -3.120 -6.470 1.00 0.48 C ATOM 437 CD LYS A 28 2.080 -3.039 -7.990 1.00 0.68 C ATOM 438 CE LYS A 28 0.839 -2.216 -8.345 1.00 0.71 C ATOM 439 NZ LYS A 28 0.939 -1.737 -9.753 1.00 0.85 N ATOM 0 H LYS A 28 4.653 -2.218 -5.154 1.00 0.32 H new ATOM 0 HA LYS A 28 2.707 -4.030 -4.045 1.00 0.33 H new ATOM 0 HB2 LYS A 28 4.232 -3.886 -6.687 1.00 0.39 H new ATOM 0 HB3 LYS A 28 3.030 -5.122 -6.367 1.00 0.39 H new ATOM 0 HG2 LYS A 28 1.281 -3.438 -6.023 1.00 0.48 H new ATOM 0 HG3 LYS A 28 2.452 -2.135 -6.064 1.00 0.48 H new ATOM 0 HD2 LYS A 28 2.969 -2.582 -8.425 1.00 0.68 H new ATOM 0 HD3 LYS A 28 1.998 -4.041 -8.412 1.00 0.68 H new ATOM 0 HE2 LYS A 28 -0.059 -2.821 -8.220 1.00 0.71 H new ATOM 0 HE3 LYS A 28 0.748 -1.367 -7.668 1.00 0.71 H new ATOM 0 HZ1 LYS A 28 0.556 -0.772 -9.819 1.00 0.85 H new ATOM 0 HZ2 LYS A 28 1.936 -1.735 -10.049 1.00 0.85 H new ATOM 0 HZ3 LYS A 28 0.395 -2.369 -10.374 1.00 0.85 H new ATOM 453 N LYS A 29 5.811 -5.061 -4.240 1.00 0.29 N ATOM 454 CA LYS A 29 6.723 -6.180 -3.849 1.00 0.33 C ATOM 455 C LYS A 29 6.625 -6.423 -2.337 1.00 0.31 C ATOM 456 O LYS A 29 6.513 -7.550 -1.891 1.00 0.38 O ATOM 457 CB LYS A 29 8.165 -5.812 -4.208 1.00 0.40 C ATOM 458 CG LYS A 29 8.319 -5.756 -5.731 1.00 0.45 C ATOM 459 CD LYS A 29 9.630 -6.433 -6.131 1.00 1.07 C ATOM 460 CE LYS A 29 9.328 -7.782 -6.784 1.00 2.12 C ATOM 461 NZ LYS A 29 9.370 -8.858 -5.753 1.00 3.02 N ATOM 0 H LYS A 29 6.283 -4.205 -4.532 1.00 0.29 H new ATOM 0 HA LYS A 29 6.431 -7.085 -4.382 1.00 0.33 H new ATOM 0 HB2 LYS A 29 8.424 -4.848 -3.771 1.00 0.40 H new ATOM 0 HB3 LYS A 29 8.853 -6.547 -3.790 1.00 0.40 H new ATOM 0 HG2 LYS A 29 7.477 -6.255 -6.212 1.00 0.45 H new ATOM 0 HG3 LYS A 29 8.313 -4.720 -6.071 1.00 0.45 H new ATOM 0 HD2 LYS A 29 10.184 -5.798 -6.823 1.00 1.07 H new ATOM 0 HD3 LYS A 29 10.261 -6.575 -5.254 1.00 1.07 H new ATOM 0 HE2 LYS A 29 8.347 -7.756 -7.258 1.00 2.12 H new ATOM 0 HE3 LYS A 29 10.055 -7.988 -7.569 1.00 2.12 H new ATOM 0 HZ1 LYS A 29 9.164 -9.775 -6.199 1.00 3.02 H new ATOM 0 HZ2 LYS A 29 10.315 -8.888 -5.321 1.00 3.02 H new ATOM 0 HZ3 LYS A 29 8.660 -8.663 -5.019 1.00 3.02 H new ATOM 475 N VAL A 30 6.663 -5.368 -1.549 1.00 0.29 N ATOM 476 CA VAL A 30 6.572 -5.520 -0.060 1.00 0.31 C ATOM 477 C VAL A 30 5.161 -5.992 0.318 1.00 0.29 C ATOM 478 O VAL A 30 4.992 -6.828 1.188 1.00 0.39 O ATOM 479 CB VAL A 30 6.867 -4.171 0.617 1.00 0.35 C ATOM 480 CG1 VAL A 30 6.853 -4.337 2.141 1.00 0.42 C ATOM 481 CG2 VAL A 30 8.246 -3.665 0.182 1.00 0.42 C ATOM 0 H VAL A 30 6.753 -4.406 -1.877 1.00 0.29 H new ATOM 0 HA VAL A 30 7.303 -6.256 0.276 1.00 0.31 H new ATOM 0 HB VAL A 30 6.101 -3.454 0.321 1.00 0.35 H new ATOM 0 HG11 VAL A 30 7.063 -3.377 2.613 1.00 0.42 H new ATOM 0 HG12 VAL A 30 5.873 -4.692 2.459 1.00 0.42 H new ATOM 0 HG13 VAL A 30 7.614 -5.060 2.435 1.00 0.42 H new ATOM 0 HG21 VAL A 30 8.451 -2.709 0.664 1.00 0.42 H new ATOM 0 HG22 VAL A 30 9.007 -4.389 0.473 1.00 0.42 H new ATOM 0 HG23 VAL A 30 8.262 -3.537 -0.900 1.00 0.42 H new ATOM 491 N LEU A 31 4.151 -5.458 -0.333 1.00 0.27 N ATOM 492 CA LEU A 31 2.745 -5.864 -0.027 1.00 0.29 C ATOM 493 C LEU A 31 2.511 -7.312 -0.482 1.00 0.29 C ATOM 494 O LEU A 31 1.889 -8.089 0.217 1.00 0.33 O ATOM 495 CB LEU A 31 1.776 -4.928 -0.761 1.00 0.31 C ATOM 496 CG LEU A 31 0.333 -5.257 -0.367 1.00 0.33 C ATOM 497 CD1 LEU A 31 0.093 -4.866 1.094 1.00 0.48 C ATOM 498 CD2 LEU A 31 -0.629 -4.476 -1.268 1.00 0.43 C ATOM 0 H LEU A 31 4.244 -4.755 -1.066 1.00 0.27 H new ATOM 0 HA LEU A 31 2.573 -5.797 1.047 1.00 0.29 H new ATOM 0 HB2 LEU A 31 2.002 -3.891 -0.514 1.00 0.31 H new ATOM 0 HB3 LEU A 31 1.901 -5.034 -1.839 1.00 0.31 H new ATOM 0 HG LEU A 31 0.161 -6.327 -0.486 1.00 0.33 H new ATOM 0 HD11 LEU A 31 -0.935 -5.102 1.370 1.00 0.48 H new ATOM 0 HD12 LEU A 31 0.777 -5.420 1.736 1.00 0.48 H new ATOM 0 HD13 LEU A 31 0.265 -3.797 1.218 1.00 0.48 H new ATOM 0 HD21 LEU A 31 -1.657 -4.708 -0.990 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.453 -3.407 -1.148 1.00 0.43 H new ATOM 0 HD23 LEU A 31 -0.462 -4.757 -2.308 1.00 0.43 H new ATOM 510 N SER A 32 3.009 -7.670 -1.647 1.00 0.30 N ATOM 511 CA SER A 32 2.831 -9.063 -2.180 1.00 0.33 C ATOM 512 C SER A 32 3.296 -10.104 -1.148 1.00 0.36 C ATOM 513 O SER A 32 2.782 -11.204 -1.104 1.00 0.41 O ATOM 514 CB SER A 32 3.661 -9.220 -3.458 1.00 0.37 C ATOM 515 OG SER A 32 3.482 -10.529 -3.981 1.00 0.51 O ATOM 0 H SER A 32 3.538 -7.047 -2.258 1.00 0.30 H new ATOM 0 HA SER A 32 1.774 -9.225 -2.390 1.00 0.33 H new ATOM 0 HB2 SER A 32 3.357 -8.477 -4.196 1.00 0.37 H new ATOM 0 HB3 SER A 32 4.715 -9.043 -3.244 1.00 0.37 H new ATOM 0 HG SER A 32 4.294 -10.805 -4.456 1.00 0.51 H new ATOM 521 N LEU A 33 4.267 -9.771 -0.328 1.00 0.36 N ATOM 522 CA LEU A 33 4.766 -10.747 0.693 1.00 0.41 C ATOM 523 C LEU A 33 3.680 -11.015 1.747 1.00 0.41 C ATOM 524 O LEU A 33 3.561 -12.118 2.251 1.00 0.46 O ATOM 525 CB LEU A 33 6.010 -10.175 1.382 1.00 0.49 C ATOM 526 CG LEU A 33 7.209 -10.263 0.434 1.00 0.59 C ATOM 527 CD1 LEU A 33 8.192 -9.131 0.748 1.00 0.72 C ATOM 528 CD2 LEU A 33 7.909 -11.613 0.618 1.00 0.79 C ATOM 0 H LEU A 33 4.735 -8.865 -0.323 1.00 0.36 H new ATOM 0 HA LEU A 33 5.017 -11.683 0.194 1.00 0.41 H new ATOM 0 HB2 LEU A 33 5.835 -9.138 1.668 1.00 0.49 H new ATOM 0 HB3 LEU A 33 6.217 -10.728 2.298 1.00 0.49 H new ATOM 0 HG LEU A 33 6.865 -10.170 -0.596 1.00 0.59 H new ATOM 0 HD11 LEU A 33 9.046 -9.193 0.073 1.00 0.72 H new ATOM 0 HD12 LEU A 33 7.695 -8.170 0.616 1.00 0.72 H new ATOM 0 HD13 LEU A 33 8.536 -9.223 1.778 1.00 0.72 H new ATOM 0 HD21 LEU A 33 8.763 -11.675 -0.057 1.00 0.79 H new ATOM 0 HD22 LEU A 33 8.253 -11.707 1.648 1.00 0.79 H new ATOM 0 HD23 LEU A 33 7.210 -12.419 0.394 1.00 0.79 H new ATOM 540 N GLN A 34 2.897 -10.016 2.086 1.00 0.40 N ATOM 541 CA GLN A 34 1.824 -10.202 3.114 1.00 0.43 C ATOM 542 C GLN A 34 0.572 -10.821 2.476 1.00 0.43 C ATOM 543 O GLN A 34 0.055 -11.813 2.957 1.00 0.52 O ATOM 544 CB GLN A 34 1.466 -8.846 3.728 1.00 0.46 C ATOM 545 CG GLN A 34 2.631 -8.351 4.589 1.00 0.51 C ATOM 546 CD GLN A 34 2.337 -6.931 5.081 1.00 0.48 C ATOM 547 OE1 GLN A 34 2.535 -5.921 4.278 1.00 0.72 O flip ATOM 548 NE2 GLN A 34 1.924 -6.741 6.206 1.00 0.72 N flip ATOM 0 H GLN A 34 2.956 -9.077 1.693 1.00 0.40 H new ATOM 0 HA GLN A 34 2.192 -10.873 3.890 1.00 0.43 H new ATOM 0 HB2 GLN A 34 1.250 -8.124 2.940 1.00 0.46 H new ATOM 0 HB3 GLN A 34 0.565 -8.936 4.334 1.00 0.46 H new ATOM 0 HG2 GLN A 34 2.778 -9.018 5.438 1.00 0.51 H new ATOM 0 HG3 GLN A 34 3.555 -8.363 4.011 1.00 0.51 H new ATOM 0 HE21 GLN A 34 1.770 -7.531 6.833 1.00 0.72 H new ATOM 0 HE22 GLN A 34 1.731 -5.792 6.525 1.00 0.72 H new ATOM 557 N ILE A 35 0.075 -10.238 1.407 1.00 0.39 N ATOM 558 CA ILE A 35 -1.158 -10.789 0.747 1.00 0.42 C ATOM 559 C ILE A 35 -0.832 -12.077 -0.022 1.00 0.43 C ATOM 560 O ILE A 35 -1.703 -12.899 -0.244 1.00 0.53 O ATOM 561 CB ILE A 35 -1.755 -9.761 -0.231 1.00 0.39 C ATOM 562 CG1 ILE A 35 -0.668 -9.231 -1.178 1.00 0.38 C ATOM 563 CG2 ILE A 35 -2.359 -8.594 0.550 1.00 0.47 C ATOM 564 CD1 ILE A 35 -1.297 -8.300 -2.217 1.00 0.41 C ATOM 0 H ILE A 35 0.468 -9.407 0.964 1.00 0.39 H new ATOM 0 HA ILE A 35 -1.883 -11.009 1.531 1.00 0.42 H new ATOM 0 HB ILE A 35 -2.532 -10.250 -0.819 1.00 0.39 H new ATOM 0 HG12 ILE A 35 0.093 -8.696 -0.610 1.00 0.38 H new ATOM 0 HG13 ILE A 35 -0.169 -10.062 -1.676 1.00 0.38 H new ATOM 0 HG21 ILE A 35 -2.780 -7.869 -0.147 1.00 0.47 H new ATOM 0 HG22 ILE A 35 -3.145 -8.965 1.208 1.00 0.47 H new ATOM 0 HG23 ILE A 35 -1.583 -8.115 1.147 1.00 0.47 H new ATOM 0 HD11 ILE A 35 -0.523 -7.926 -2.887 1.00 0.41 H new ATOM 0 HD12 ILE A 35 -2.042 -8.849 -2.794 1.00 0.41 H new ATOM 0 HD13 ILE A 35 -1.775 -7.461 -1.712 1.00 0.41 H new ATOM 576 N GLY A 36 0.401 -12.253 -0.446 1.00 0.39 N ATOM 577 CA GLY A 36 0.764 -13.479 -1.222 1.00 0.42 C ATOM 578 C GLY A 36 0.006 -13.448 -2.551 1.00 0.41 C ATOM 579 O GLY A 36 -0.637 -14.408 -2.933 1.00 0.49 O ATOM 0 H GLY A 36 1.168 -11.600 -0.287 1.00 0.39 H new ATOM 0 HA2 GLY A 36 1.839 -13.512 -1.399 1.00 0.42 H new ATOM 0 HA3 GLY A 36 0.506 -14.376 -0.658 1.00 0.42 H new ATOM 583 N THR A 37 0.060 -12.330 -3.235 1.00 0.37 N ATOM 584 CA THR A 37 -0.674 -12.183 -4.530 1.00 0.38 C ATOM 585 C THR A 37 0.313 -11.961 -5.691 1.00 0.39 C ATOM 586 O THR A 37 -0.098 -11.714 -6.811 1.00 0.47 O ATOM 587 CB THR A 37 -1.619 -10.978 -4.417 1.00 0.37 C ATOM 588 OG1 THR A 37 -2.289 -11.014 -3.161 1.00 0.40 O ATOM 589 CG2 THR A 37 -2.652 -11.015 -5.541 1.00 0.44 C ATOM 0 H THR A 37 0.587 -11.505 -2.947 1.00 0.37 H new ATOM 0 HA THR A 37 -1.239 -13.093 -4.733 1.00 0.38 H new ATOM 0 HB THR A 37 -1.035 -10.061 -4.497 1.00 0.37 H new ATOM 0 HG1 THR A 37 -3.132 -10.519 -3.226 1.00 0.40 H new ATOM 0 HG21 THR A 37 -3.317 -10.156 -5.452 1.00 0.44 H new ATOM 0 HG22 THR A 37 -2.143 -10.981 -6.504 1.00 0.44 H new ATOM 0 HG23 THR A 37 -3.234 -11.934 -5.470 1.00 0.44 H new ATOM 597 N GLN A 38 1.607 -12.044 -5.435 1.00 0.41 N ATOM 598 CA GLN A 38 2.625 -11.835 -6.517 1.00 0.46 C ATOM 599 C GLN A 38 2.615 -10.364 -6.970 1.00 0.48 C ATOM 600 O GLN A 38 1.591 -9.708 -6.924 1.00 0.47 O ATOM 601 CB GLN A 38 2.311 -12.746 -7.714 1.00 0.55 C ATOM 602 CG GLN A 38 3.444 -13.756 -7.907 1.00 0.83 C ATOM 603 CD GLN A 38 3.798 -13.851 -9.393 1.00 1.13 C ATOM 604 OE1 GLN A 38 4.794 -13.309 -9.827 1.00 1.33 O ATOM 605 NE2 GLN A 38 3.017 -14.523 -10.198 1.00 1.50 N ATOM 0 H GLN A 38 1.998 -12.249 -4.516 1.00 0.41 H new ATOM 0 HA GLN A 38 3.612 -12.083 -6.126 1.00 0.46 H new ATOM 0 HB2 GLN A 38 1.369 -13.269 -7.548 1.00 0.55 H new ATOM 0 HB3 GLN A 38 2.188 -12.147 -8.616 1.00 0.55 H new ATOM 0 HG2 GLN A 38 4.319 -13.451 -7.333 1.00 0.83 H new ATOM 0 HG3 GLN A 38 3.142 -14.734 -7.531 1.00 0.83 H new ATOM 0 HE21 GLN A 38 2.180 -14.979 -9.834 1.00 1.50 H new ATOM 0 HE22 GLN A 38 3.245 -14.592 -11.190 1.00 1.50 H new ATOM 614 N PRO A 39 3.762 -9.889 -7.401 1.00 0.62 N ATOM 615 CA PRO A 39 3.920 -8.496 -7.875 1.00 0.76 C ATOM 616 C PRO A 39 3.296 -8.308 -9.270 1.00 0.84 C ATOM 617 O PRO A 39 3.192 -7.197 -9.758 1.00 1.02 O ATOM 618 CB PRO A 39 5.439 -8.299 -7.909 1.00 0.93 C ATOM 619 CG PRO A 39 6.062 -9.711 -8.001 1.00 0.89 C ATOM 620 CD PRO A 39 5.002 -10.693 -7.469 1.00 0.71 C ATOM 0 HA PRO A 39 3.416 -7.770 -7.236 1.00 0.76 H new ATOM 0 HB2 PRO A 39 5.732 -7.689 -8.763 1.00 0.93 H new ATOM 0 HB3 PRO A 39 5.783 -7.780 -7.014 1.00 0.93 H new ATOM 0 HG2 PRO A 39 6.330 -9.950 -9.030 1.00 0.89 H new ATOM 0 HG3 PRO A 39 6.977 -9.771 -7.411 1.00 0.89 H new ATOM 0 HD2 PRO A 39 4.885 -11.550 -8.132 1.00 0.71 H new ATOM 0 HD3 PRO A 39 5.277 -11.084 -6.489 1.00 0.71 H new ATOM 628 N ASN A 40 2.876 -9.381 -9.909 1.00 0.80 N ATOM 629 CA ASN A 40 2.254 -9.265 -11.265 1.00 0.95 C ATOM 630 C ASN A 40 0.720 -9.379 -11.165 1.00 0.86 C ATOM 631 O ASN A 40 0.025 -9.255 -12.158 1.00 0.98 O ATOM 632 CB ASN A 40 2.791 -10.388 -12.160 1.00 1.14 C ATOM 633 CG ASN A 40 4.254 -10.106 -12.518 1.00 1.34 C ATOM 634 OD1 ASN A 40 5.153 -10.525 -11.815 1.00 1.57 O ATOM 635 ND2 ASN A 40 4.534 -9.413 -13.590 1.00 1.57 N ATOM 0 H ASN A 40 2.939 -10.332 -9.545 1.00 0.80 H new ATOM 0 HA ASN A 40 2.506 -8.294 -11.691 1.00 0.95 H new ATOM 0 HB2 ASN A 40 2.710 -11.346 -11.646 1.00 1.14 H new ATOM 0 HB3 ASN A 40 2.192 -10.461 -13.068 1.00 1.14 H new ATOM 0 HD21 ASN A 40 5.506 -9.224 -13.836 1.00 1.57 H new ATOM 0 HD22 ASN A 40 3.781 -9.061 -14.181 1.00 1.57 H new ATOM 642 N LYS A 41 0.182 -9.616 -9.981 1.00 0.71 N ATOM 643 CA LYS A 41 -1.304 -9.738 -9.835 1.00 0.68 C ATOM 644 C LYS A 41 -1.830 -8.726 -8.802 1.00 0.53 C ATOM 645 O LYS A 41 -2.919 -8.880 -8.273 1.00 0.55 O ATOM 646 CB LYS A 41 -1.644 -11.161 -9.375 1.00 0.75 C ATOM 647 CG LYS A 41 -2.363 -11.909 -10.501 1.00 0.86 C ATOM 648 CD LYS A 41 -1.464 -13.032 -11.030 1.00 1.36 C ATOM 649 CE LYS A 41 -1.366 -12.940 -12.557 1.00 1.71 C ATOM 650 NZ LYS A 41 -0.085 -13.553 -13.019 1.00 2.29 N ATOM 0 H LYS A 41 0.711 -9.729 -9.116 1.00 0.71 H new ATOM 0 HA LYS A 41 -1.775 -9.530 -10.796 1.00 0.68 H new ATOM 0 HB2 LYS A 41 -0.733 -11.691 -9.097 1.00 0.75 H new ATOM 0 HB3 LYS A 41 -2.276 -11.126 -8.487 1.00 0.75 H new ATOM 0 HG2 LYS A 41 -3.302 -12.324 -10.134 1.00 0.86 H new ATOM 0 HG3 LYS A 41 -2.613 -11.219 -11.307 1.00 0.86 H new ATOM 0 HD2 LYS A 41 -0.471 -12.955 -10.587 1.00 1.36 H new ATOM 0 HD3 LYS A 41 -1.868 -14.002 -10.740 1.00 1.36 H new ATOM 0 HE2 LYS A 41 -2.211 -13.452 -13.016 1.00 1.71 H new ATOM 0 HE3 LYS A 41 -1.415 -11.898 -12.872 1.00 1.71 H new ATOM 0 HZ1 LYS A 41 -0.023 -13.488 -14.055 1.00 2.29 H new ATOM 0 HZ2 LYS A 41 0.716 -13.046 -12.592 1.00 2.29 H new ATOM 0 HZ3 LYS A 41 -0.055 -14.552 -12.732 1.00 2.29 H new ATOM 664 N ILE A 42 -1.073 -7.690 -8.512 1.00 0.48 N ATOM 665 CA ILE A 42 -1.533 -6.674 -7.517 1.00 0.37 C ATOM 666 C ILE A 42 -1.768 -5.329 -8.217 1.00 0.37 C ATOM 667 O ILE A 42 -0.931 -4.847 -8.960 1.00 0.49 O ATOM 668 CB ILE A 42 -0.472 -6.503 -6.421 1.00 0.40 C ATOM 669 CG1 ILE A 42 -0.343 -7.805 -5.623 1.00 0.41 C ATOM 670 CG2 ILE A 42 -0.881 -5.372 -5.470 1.00 0.45 C ATOM 671 CD1 ILE A 42 0.952 -7.778 -4.809 1.00 0.48 C ATOM 0 H ILE A 42 -0.158 -7.508 -8.923 1.00 0.48 H new ATOM 0 HA ILE A 42 -2.466 -7.014 -7.067 1.00 0.37 H new ATOM 0 HB ILE A 42 0.483 -6.259 -6.887 1.00 0.40 H new ATOM 0 HG12 ILE A 42 -1.200 -7.924 -4.960 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -0.342 -8.660 -6.299 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -0.123 -5.257 -4.695 1.00 0.45 H new ATOM 0 HG22 ILE A 42 -0.972 -4.441 -6.030 1.00 0.45 H new ATOM 0 HG23 ILE A 42 -1.838 -5.613 -5.008 1.00 0.45 H new ATOM 0 HD11 ILE A 42 1.044 -8.704 -4.241 1.00 0.48 H new ATOM 0 HD12 ILE A 42 1.803 -7.679 -5.483 1.00 0.48 H new ATOM 0 HD13 ILE A 42 0.933 -6.932 -4.122 1.00 0.48 H new ATOM 683 N VAL A 43 -2.901 -4.718 -7.963 1.00 0.33 N ATOM 684 CA VAL A 43 -3.216 -3.394 -8.578 1.00 0.37 C ATOM 685 C VAL A 43 -3.512 -2.400 -7.448 1.00 0.36 C ATOM 686 O VAL A 43 -4.502 -2.520 -6.750 1.00 0.44 O ATOM 687 CB VAL A 43 -4.437 -3.527 -9.500 1.00 0.42 C ATOM 688 CG1 VAL A 43 -4.769 -2.164 -10.118 1.00 0.55 C ATOM 689 CG2 VAL A 43 -4.130 -4.530 -10.619 1.00 0.52 C ATOM 0 H VAL A 43 -3.627 -5.086 -7.349 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.373 -3.041 -9.173 1.00 0.37 H new ATOM 0 HB VAL A 43 -5.289 -3.879 -8.918 1.00 0.42 H new ATOM 0 HG11 VAL A 43 -5.636 -2.262 -10.772 1.00 0.55 H new ATOM 0 HG12 VAL A 43 -4.991 -1.450 -9.325 1.00 0.55 H new ATOM 0 HG13 VAL A 43 -3.916 -1.810 -10.697 1.00 0.55 H new ATOM 0 HG21 VAL A 43 -4.998 -4.623 -11.272 1.00 0.52 H new ATOM 0 HG22 VAL A 43 -3.276 -4.179 -11.198 1.00 0.52 H new ATOM 0 HG23 VAL A 43 -3.898 -5.502 -10.183 1.00 0.52 H new ATOM 699 N LEU A 44 -2.649 -1.433 -7.251 1.00 0.34 N ATOM 700 CA LEU A 44 -2.864 -0.443 -6.151 1.00 0.36 C ATOM 701 C LEU A 44 -3.480 0.845 -6.708 1.00 0.33 C ATOM 702 O LEU A 44 -3.135 1.294 -7.786 1.00 0.39 O ATOM 703 CB LEU A 44 -1.522 -0.126 -5.486 1.00 0.45 C ATOM 704 CG LEU A 44 -1.319 -1.049 -4.282 1.00 0.71 C ATOM 705 CD1 LEU A 44 0.079 -1.668 -4.345 1.00 0.91 C ATOM 706 CD2 LEU A 44 -1.462 -0.240 -2.990 1.00 0.99 C ATOM 0 H LEU A 44 -1.805 -1.287 -7.805 1.00 0.34 H new ATOM 0 HA LEU A 44 -3.547 -0.869 -5.416 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -0.710 -0.259 -6.200 1.00 0.45 H new ATOM 0 HB3 LEU A 44 -1.499 0.916 -5.167 1.00 0.45 H new ATOM 0 HG LEU A 44 -2.068 -1.841 -4.299 1.00 0.71 H new ATOM 0 HD11 LEU A 44 0.225 -2.326 -3.488 1.00 0.91 H new ATOM 0 HD12 LEU A 44 0.181 -2.243 -5.265 1.00 0.91 H new ATOM 0 HD13 LEU A 44 0.828 -0.877 -4.327 1.00 0.91 H new ATOM 0 HD21 LEU A 44 -1.318 -0.896 -2.132 1.00 0.99 H new ATOM 0 HD22 LEU A 44 -0.713 0.552 -2.972 1.00 0.99 H new ATOM 0 HD23 LEU A 44 -2.458 0.202 -2.946 1.00 0.99 H new ATOM 718 N GLN A 45 -4.392 1.440 -5.971 1.00 0.32 N ATOM 719 CA GLN A 45 -5.045 2.703 -6.439 1.00 0.34 C ATOM 720 C GLN A 45 -4.955 3.765 -5.336 1.00 0.34 C ATOM 721 O GLN A 45 -4.922 3.449 -4.159 1.00 0.42 O ATOM 722 CB GLN A 45 -6.523 2.449 -6.772 1.00 0.43 C ATOM 723 CG GLN A 45 -6.708 1.041 -7.357 1.00 0.42 C ATOM 724 CD GLN A 45 -7.277 1.141 -8.773 1.00 0.67 C ATOM 725 OE1 GLN A 45 -6.582 0.885 -9.736 1.00 1.04 O ATOM 726 NE2 GLN A 45 -8.520 1.505 -8.945 1.00 1.06 N ATOM 0 H GLN A 45 -4.711 1.102 -5.063 1.00 0.32 H new ATOM 0 HA GLN A 45 -4.531 3.051 -7.335 1.00 0.34 H new ATOM 0 HB2 GLN A 45 -7.129 2.558 -5.872 1.00 0.43 H new ATOM 0 HB3 GLN A 45 -6.875 3.195 -7.485 1.00 0.43 H new ATOM 0 HG2 GLN A 45 -5.753 0.516 -7.375 1.00 0.42 H new ATOM 0 HG3 GLN A 45 -7.380 0.460 -6.725 1.00 0.42 H new ATOM 0 HE21 GLN A 45 -9.105 1.720 -8.137 1.00 1.06 H new ATOM 0 HE22 GLN A 45 -8.906 1.574 -9.887 1.00 1.06 H new ATOM 735 N LYS A 46 -4.913 5.021 -5.710 1.00 0.42 N ATOM 736 CA LYS A 46 -4.821 6.109 -4.691 1.00 0.48 C ATOM 737 C LYS A 46 -5.842 7.209 -5.010 1.00 0.56 C ATOM 738 O LYS A 46 -5.653 8.004 -5.915 1.00 0.72 O ATOM 739 CB LYS A 46 -3.404 6.694 -4.703 1.00 0.49 C ATOM 740 CG LYS A 46 -2.784 6.568 -3.309 1.00 0.83 C ATOM 741 CD LYS A 46 -2.033 7.856 -2.964 1.00 0.86 C ATOM 742 CE LYS A 46 -2.535 8.400 -1.623 1.00 0.92 C ATOM 743 NZ LYS A 46 -2.155 9.837 -1.496 1.00 1.11 N ATOM 0 H LYS A 46 -4.939 5.338 -6.679 1.00 0.42 H new ATOM 0 HA LYS A 46 -5.038 5.702 -3.703 1.00 0.48 H new ATOM 0 HB2 LYS A 46 -2.789 6.169 -5.434 1.00 0.49 H new ATOM 0 HB3 LYS A 46 -3.435 7.741 -5.005 1.00 0.49 H new ATOM 0 HG2 LYS A 46 -3.562 6.379 -2.569 1.00 0.83 H new ATOM 0 HG3 LYS A 46 -2.102 5.718 -3.278 1.00 0.83 H new ATOM 0 HD2 LYS A 46 -0.962 7.661 -2.911 1.00 0.86 H new ATOM 0 HD3 LYS A 46 -2.184 8.598 -3.748 1.00 0.86 H new ATOM 0 HE2 LYS A 46 -3.618 8.292 -1.557 1.00 0.92 H new ATOM 0 HE3 LYS A 46 -2.106 7.825 -0.802 1.00 0.92 H new ATOM 0 HZ1 LYS A 46 -2.389 10.175 -0.541 1.00 1.11 H new ATOM 0 HZ2 LYS A 46 -1.133 9.942 -1.659 1.00 1.11 H new ATOM 0 HZ3 LYS A 46 -2.677 10.398 -2.199 1.00 1.11 H new ATOM 757 N GLY A 47 -6.924 7.255 -4.267 1.00 0.71 N ATOM 758 CA GLY A 47 -7.972 8.296 -4.504 1.00 0.92 C ATOM 759 C GLY A 47 -8.565 8.133 -5.909 1.00 0.82 C ATOM 760 O GLY A 47 -8.678 9.091 -6.654 1.00 0.98 O ATOM 0 H GLY A 47 -7.125 6.611 -3.502 1.00 0.71 H new ATOM 0 HA2 GLY A 47 -8.759 8.208 -3.756 1.00 0.92 H new ATOM 0 HA3 GLY A 47 -7.539 9.291 -4.396 1.00 0.92 H new ATOM 764 N GLY A 48 -8.943 6.928 -6.272 1.00 0.68 N ATOM 765 CA GLY A 48 -9.532 6.690 -7.628 1.00 0.64 C ATOM 766 C GLY A 48 -8.473 6.932 -8.710 1.00 0.64 C ATOM 767 O GLY A 48 -8.738 7.578 -9.707 1.00 0.80 O ATOM 0 H GLY A 48 -8.868 6.098 -5.684 1.00 0.68 H new ATOM 0 HA2 GLY A 48 -9.907 5.669 -7.696 1.00 0.64 H new ATOM 0 HA3 GLY A 48 -10.383 7.353 -7.785 1.00 0.64 H new ATOM 771 N SER A 49 -7.282 6.415 -8.519 1.00 0.55 N ATOM 772 CA SER A 49 -6.195 6.602 -9.530 1.00 0.58 C ATOM 773 C SER A 49 -5.353 5.323 -9.602 1.00 0.43 C ATOM 774 O SER A 49 -5.022 4.736 -8.589 1.00 0.42 O ATOM 775 CB SER A 49 -5.310 7.783 -9.120 1.00 0.74 C ATOM 776 OG SER A 49 -5.132 8.648 -10.235 1.00 1.22 O ATOM 0 H SER A 49 -7.016 5.868 -7.700 1.00 0.55 H new ATOM 0 HA SER A 49 -6.632 6.807 -10.507 1.00 0.58 H new ATOM 0 HB2 SER A 49 -5.769 8.326 -8.294 1.00 0.74 H new ATOM 0 HB3 SER A 49 -4.344 7.423 -8.767 1.00 0.74 H new ATOM 0 HG SER A 49 -4.567 9.405 -9.975 1.00 1.22 H new ATOM 782 N VAL A 50 -5.014 4.883 -10.791 1.00 0.44 N ATOM 783 CA VAL A 50 -4.203 3.629 -10.929 1.00 0.40 C ATOM 784 C VAL A 50 -2.718 3.922 -10.659 1.00 0.34 C ATOM 785 O VAL A 50 -2.120 4.786 -11.277 1.00 0.48 O ATOM 786 CB VAL A 50 -4.367 3.042 -12.346 1.00 0.60 C ATOM 787 CG1 VAL A 50 -5.819 2.606 -12.560 1.00 0.73 C ATOM 788 CG2 VAL A 50 -3.992 4.086 -13.406 1.00 0.74 C ATOM 0 H VAL A 50 -5.263 5.336 -11.670 1.00 0.44 H new ATOM 0 HA VAL A 50 -4.561 2.904 -10.198 1.00 0.40 H new ATOM 0 HB VAL A 50 -3.705 2.182 -12.444 1.00 0.60 H new ATOM 0 HG11 VAL A 50 -5.931 2.192 -13.562 1.00 0.73 H new ATOM 0 HG12 VAL A 50 -6.084 1.848 -11.823 1.00 0.73 H new ATOM 0 HG13 VAL A 50 -6.478 3.467 -12.448 1.00 0.73 H new ATOM 0 HG21 VAL A 50 -4.113 3.655 -14.400 1.00 0.74 H new ATOM 0 HG22 VAL A 50 -4.641 4.956 -13.306 1.00 0.74 H new ATOM 0 HG23 VAL A 50 -2.955 4.390 -13.266 1.00 0.74 H new ATOM 798 N LEU A 51 -2.124 3.194 -9.739 1.00 0.31 N ATOM 799 CA LEU A 51 -0.676 3.401 -9.420 1.00 0.30 C ATOM 800 C LEU A 51 0.156 2.412 -10.243 1.00 0.32 C ATOM 801 O LEU A 51 -0.122 1.224 -10.267 1.00 0.46 O ATOM 802 CB LEU A 51 -0.424 3.169 -7.921 1.00 0.37 C ATOM 803 CG LEU A 51 -1.456 3.940 -7.091 1.00 0.36 C ATOM 804 CD1 LEU A 51 -1.231 3.664 -5.603 1.00 0.46 C ATOM 805 CD2 LEU A 51 -1.314 5.442 -7.356 1.00 0.42 C ATOM 0 H LEU A 51 -2.583 2.464 -9.195 1.00 0.31 H new ATOM 0 HA LEU A 51 -0.391 4.424 -9.666 1.00 0.30 H new ATOM 0 HB2 LEU A 51 -0.484 2.105 -7.694 1.00 0.37 H new ATOM 0 HB3 LEU A 51 0.583 3.494 -7.658 1.00 0.37 H new ATOM 0 HG LEU A 51 -2.457 3.614 -7.374 1.00 0.36 H new ATOM 0 HD11 LEU A 51 -1.966 4.214 -5.016 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -1.338 2.596 -5.411 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -0.228 3.985 -5.321 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -2.049 5.987 -6.764 1.00 0.42 H new ATOM 0 HD22 LEU A 51 -0.311 5.767 -7.078 1.00 0.42 H new ATOM 0 HD23 LEU A 51 -1.480 5.642 -8.415 1.00 0.42 H new ATOM 817 N LYS A 52 1.162 2.897 -10.932 1.00 0.31 N ATOM 818 CA LYS A 52 2.004 1.997 -11.775 1.00 0.36 C ATOM 819 C LYS A 52 3.438 1.945 -11.242 1.00 0.36 C ATOM 820 O LYS A 52 3.943 2.908 -10.693 1.00 0.36 O ATOM 821 CB LYS A 52 2.011 2.524 -13.209 1.00 0.42 C ATOM 822 CG LYS A 52 0.928 1.806 -14.009 1.00 0.65 C ATOM 823 CD LYS A 52 1.440 1.512 -15.416 1.00 1.52 C ATOM 824 CE LYS A 52 0.470 0.563 -16.118 1.00 2.23 C ATOM 825 NZ LYS A 52 0.958 -0.837 -15.979 1.00 3.24 N ATOM 0 H LYS A 52 1.435 3.880 -10.945 1.00 0.31 H new ATOM 0 HA LYS A 52 1.588 0.990 -11.747 1.00 0.36 H new ATOM 0 HB2 LYS A 52 1.833 3.599 -13.215 1.00 0.42 H new ATOM 0 HB3 LYS A 52 2.987 2.360 -13.665 1.00 0.42 H new ATOM 0 HG2 LYS A 52 0.650 0.877 -13.511 1.00 0.65 H new ATOM 0 HG3 LYS A 52 0.030 2.422 -14.059 1.00 0.65 H new ATOM 0 HD2 LYS A 52 1.534 2.439 -15.982 1.00 1.52 H new ATOM 0 HD3 LYS A 52 2.433 1.065 -15.368 1.00 1.52 H new ATOM 0 HE2 LYS A 52 -0.526 0.657 -15.684 1.00 2.23 H new ATOM 0 HE3 LYS A 52 0.385 0.827 -17.172 1.00 2.23 H new ATOM 0 HZ1 LYS A 52 0.298 -1.484 -16.457 1.00 3.24 H new ATOM 0 HZ2 LYS A 52 1.900 -0.921 -16.412 1.00 3.24 H new ATOM 0 HZ3 LYS A 52 1.017 -1.085 -14.971 1.00 3.24 H new ATOM 839 N ASP A 53 4.093 0.816 -11.411 1.00 0.41 N ATOM 840 CA ASP A 53 5.501 0.666 -10.924 1.00 0.45 C ATOM 841 C ASP A 53 6.423 1.681 -11.617 1.00 0.47 C ATOM 842 O ASP A 53 7.410 2.113 -11.049 1.00 0.53 O ATOM 843 CB ASP A 53 5.997 -0.765 -11.200 1.00 0.53 C ATOM 844 CG ASP A 53 5.987 -1.056 -12.709 1.00 0.62 C ATOM 845 OD1 ASP A 53 4.933 -1.399 -13.223 1.00 0.74 O ATOM 846 OD2 ASP A 53 7.036 -0.937 -13.322 1.00 0.71 O ATOM 0 H ASP A 53 3.708 -0.010 -11.868 1.00 0.41 H new ATOM 0 HA ASP A 53 5.521 0.856 -9.851 1.00 0.45 H new ATOM 0 HB2 ASP A 53 7.006 -0.889 -10.806 1.00 0.53 H new ATOM 0 HB3 ASP A 53 5.362 -1.483 -10.681 1.00 0.53 H new ATOM 851 N HIS A 54 6.108 2.064 -12.835 1.00 0.48 N ATOM 852 CA HIS A 54 6.959 3.050 -13.573 1.00 0.56 C ATOM 853 C HIS A 54 6.939 4.424 -12.876 1.00 0.54 C ATOM 854 O HIS A 54 7.790 5.258 -13.130 1.00 0.67 O ATOM 855 CB HIS A 54 6.427 3.198 -15.002 1.00 0.60 C ATOM 856 CG HIS A 54 6.821 1.989 -15.805 1.00 0.81 C ATOM 857 ND1 HIS A 54 6.010 0.869 -15.901 1.00 1.07 N ATOM 858 CD2 HIS A 54 7.940 1.707 -16.549 1.00 1.14 C ATOM 859 CE1 HIS A 54 6.648 -0.028 -16.675 1.00 1.29 C ATOM 860 NE2 HIS A 54 7.829 0.434 -17.097 1.00 1.32 N ATOM 0 H HIS A 54 5.293 1.732 -13.350 1.00 0.48 H new ATOM 0 HA HIS A 54 7.986 2.685 -13.587 1.00 0.56 H new ATOM 0 HB2 HIS A 54 5.342 3.303 -14.990 1.00 0.60 H new ATOM 0 HB3 HIS A 54 6.830 4.101 -15.461 1.00 0.60 H new ATOM 0 HD2 HIS A 54 8.779 2.373 -16.688 1.00 1.14 H new ATOM 0 HE1 HIS A 54 6.254 -1.002 -16.925 1.00 1.29 H new ATOM 0 HE2 HIS A 54 8.504 -0.045 -17.693 1.00 1.32 H new ATOM 868 N ILE A 55 5.986 4.669 -12.001 1.00 0.44 N ATOM 869 CA ILE A 55 5.928 5.990 -11.298 1.00 0.44 C ATOM 870 C ILE A 55 6.328 5.803 -9.828 1.00 0.42 C ATOM 871 O ILE A 55 6.055 4.779 -9.226 1.00 0.46 O ATOM 872 CB ILE A 55 4.506 6.559 -11.389 1.00 0.43 C ATOM 873 CG1 ILE A 55 4.151 6.805 -12.861 1.00 0.50 C ATOM 874 CG2 ILE A 55 4.428 7.884 -10.626 1.00 0.48 C ATOM 875 CD1 ILE A 55 3.453 5.573 -13.440 1.00 0.52 C ATOM 0 H ILE A 55 5.249 4.011 -11.746 1.00 0.44 H new ATOM 0 HA ILE A 55 6.619 6.688 -11.771 1.00 0.44 H new ATOM 0 HB ILE A 55 3.806 5.847 -10.952 1.00 0.43 H new ATOM 0 HG12 ILE A 55 3.501 7.676 -12.947 1.00 0.50 H new ATOM 0 HG13 ILE A 55 5.054 7.024 -13.431 1.00 0.50 H new ATOM 0 HG21 ILE A 55 3.416 8.284 -10.694 1.00 0.48 H new ATOM 0 HG22 ILE A 55 4.683 7.717 -9.579 1.00 0.48 H new ATOM 0 HG23 ILE A 55 5.129 8.596 -11.061 1.00 0.48 H new ATOM 0 HD11 ILE A 55 3.203 5.754 -14.486 1.00 0.52 H new ATOM 0 HD12 ILE A 55 4.117 4.712 -13.369 1.00 0.52 H new ATOM 0 HD13 ILE A 55 2.540 5.374 -12.878 1.00 0.52 H new ATOM 887 N SER A 56 6.981 6.786 -9.252 1.00 0.43 N ATOM 888 CA SER A 56 7.413 6.673 -7.825 1.00 0.43 C ATOM 889 C SER A 56 6.263 7.069 -6.891 1.00 0.38 C ATOM 890 O SER A 56 5.355 7.789 -7.272 1.00 0.39 O ATOM 891 CB SER A 56 8.613 7.591 -7.578 1.00 0.51 C ATOM 892 OG SER A 56 9.455 7.006 -6.593 1.00 0.79 O ATOM 0 H SER A 56 7.233 7.662 -9.711 1.00 0.43 H new ATOM 0 HA SER A 56 7.695 5.640 -7.621 1.00 0.43 H new ATOM 0 HB2 SER A 56 9.167 7.742 -8.504 1.00 0.51 H new ATOM 0 HB3 SER A 56 8.273 8.572 -7.247 1.00 0.51 H new ATOM 0 HG SER A 56 8.939 6.366 -6.060 1.00 0.79 H new ATOM 898 N LEU A 57 6.305 6.601 -5.663 1.00 0.37 N ATOM 899 CA LEU A 57 5.230 6.940 -4.677 1.00 0.38 C ATOM 900 C LEU A 57 5.218 8.454 -4.427 1.00 0.40 C ATOM 901 O LEU A 57 4.174 9.044 -4.217 1.00 0.47 O ATOM 902 CB LEU A 57 5.494 6.207 -3.356 1.00 0.41 C ATOM 903 CG LEU A 57 5.242 4.706 -3.536 1.00 0.49 C ATOM 904 CD1 LEU A 57 5.981 3.931 -2.443 1.00 0.53 C ATOM 905 CD2 LEU A 57 3.739 4.424 -3.434 1.00 0.73 C ATOM 0 H LEU A 57 7.042 5.996 -5.302 1.00 0.37 H new ATOM 0 HA LEU A 57 4.264 6.631 -5.077 1.00 0.38 H new ATOM 0 HB2 LEU A 57 6.522 6.377 -3.034 1.00 0.41 H new ATOM 0 HB3 LEU A 57 4.846 6.603 -2.574 1.00 0.41 H new ATOM 0 HG LEU A 57 5.605 4.391 -4.514 1.00 0.49 H new ATOM 0 HD11 LEU A 57 5.802 2.863 -2.570 1.00 0.53 H new ATOM 0 HD12 LEU A 57 7.050 4.131 -2.515 1.00 0.53 H new ATOM 0 HD13 LEU A 57 5.618 4.246 -1.465 1.00 0.53 H new ATOM 0 HD21 LEU A 57 3.560 3.357 -3.562 1.00 0.73 H new ATOM 0 HD22 LEU A 57 3.375 4.738 -2.456 1.00 0.73 H new ATOM 0 HD23 LEU A 57 3.212 4.976 -4.212 1.00 0.73 H new ATOM 917 N GLU A 58 6.375 9.081 -4.455 1.00 0.40 N ATOM 918 CA GLU A 58 6.453 10.560 -4.229 1.00 0.46 C ATOM 919 C GLU A 58 5.666 11.303 -5.323 1.00 0.48 C ATOM 920 O GLU A 58 5.117 12.363 -5.084 1.00 0.54 O ATOM 921 CB GLU A 58 7.921 11.014 -4.251 1.00 0.54 C ATOM 922 CG GLU A 58 8.618 10.486 -5.514 1.00 0.63 C ATOM 923 CD GLU A 58 9.494 11.586 -6.120 1.00 0.83 C ATOM 924 OE1 GLU A 58 8.973 12.370 -6.898 1.00 1.31 O ATOM 925 OE2 GLU A 58 10.671 11.623 -5.799 1.00 1.24 O ATOM 0 H GLU A 58 7.272 8.627 -4.626 1.00 0.40 H new ATOM 0 HA GLU A 58 6.018 10.792 -3.257 1.00 0.46 H new ATOM 0 HB2 GLU A 58 7.974 12.102 -4.225 1.00 0.54 H new ATOM 0 HB3 GLU A 58 8.436 10.649 -3.362 1.00 0.54 H new ATOM 0 HG2 GLU A 58 9.228 9.617 -5.268 1.00 0.63 H new ATOM 0 HG3 GLU A 58 7.875 10.158 -6.241 1.00 0.63 H new ATOM 932 N ASP A 59 5.601 10.746 -6.515 1.00 0.46 N ATOM 933 CA ASP A 59 4.843 11.407 -7.623 1.00 0.50 C ATOM 934 C ASP A 59 3.341 11.326 -7.323 1.00 0.49 C ATOM 935 O ASP A 59 2.612 12.284 -7.507 1.00 0.56 O ATOM 936 CB ASP A 59 5.142 10.697 -8.949 1.00 0.53 C ATOM 937 CG ASP A 59 6.609 10.919 -9.333 1.00 0.61 C ATOM 938 OD1 ASP A 59 6.892 11.922 -9.969 1.00 0.76 O ATOM 939 OD2 ASP A 59 7.426 10.082 -8.985 1.00 0.71 O ATOM 0 H ASP A 59 6.042 9.861 -6.764 1.00 0.46 H new ATOM 0 HA ASP A 59 5.146 12.451 -7.701 1.00 0.50 H new ATOM 0 HB2 ASP A 59 4.938 9.630 -8.856 1.00 0.53 H new ATOM 0 HB3 ASP A 59 4.489 11.080 -9.733 1.00 0.53 H new ATOM 944 N TYR A 60 2.882 10.189 -6.847 1.00 0.45 N ATOM 945 CA TYR A 60 1.431 10.032 -6.510 1.00 0.47 C ATOM 946 C TYR A 60 1.099 10.826 -5.235 1.00 0.51 C ATOM 947 O TYR A 60 -0.056 11.091 -4.954 1.00 0.58 O ATOM 948 CB TYR A 60 1.114 8.549 -6.293 1.00 0.46 C ATOM 949 CG TYR A 60 1.083 7.837 -7.627 1.00 0.43 C ATOM 950 CD1 TYR A 60 0.126 8.189 -8.588 1.00 0.46 C ATOM 951 CD2 TYR A 60 2.012 6.827 -7.904 1.00 0.49 C ATOM 952 CE1 TYR A 60 0.099 7.532 -9.823 1.00 0.49 C ATOM 953 CE2 TYR A 60 1.984 6.169 -9.140 1.00 0.52 C ATOM 954 CZ TYR A 60 1.028 6.522 -10.100 1.00 0.49 C ATOM 955 OH TYR A 60 1.000 5.872 -11.318 1.00 0.56 O ATOM 0 H TYR A 60 3.454 9.361 -6.678 1.00 0.45 H new ATOM 0 HA TYR A 60 0.828 10.415 -7.333 1.00 0.47 H new ATOM 0 HB2 TYR A 60 1.865 8.097 -5.645 1.00 0.46 H new ATOM 0 HB3 TYR A 60 0.153 8.442 -5.790 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -0.591 8.968 -8.375 1.00 0.46 H new ATOM 0 HD2 TYR A 60 2.751 6.555 -7.164 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -0.639 7.804 -10.563 1.00 0.49 H new ATOM 0 HE2 TYR A 60 2.700 5.389 -9.353 1.00 0.52 H new ATOM 0 HH TYR A 60 0.099 5.523 -11.482 1.00 0.56 H new ATOM 965 N GLU A 61 2.107 11.209 -4.470 1.00 0.50 N ATOM 966 CA GLU A 61 1.889 11.997 -3.213 1.00 0.56 C ATOM 967 C GLU A 61 1.354 11.081 -2.101 1.00 0.52 C ATOM 968 O GLU A 61 0.317 11.336 -1.509 1.00 0.70 O ATOM 969 CB GLU A 61 0.908 13.151 -3.478 1.00 0.73 C ATOM 970 CG GLU A 61 1.573 14.483 -3.116 1.00 1.29 C ATOM 971 CD GLU A 61 1.315 15.504 -4.229 1.00 1.97 C ATOM 972 OE1 GLU A 61 2.084 15.525 -5.178 1.00 2.74 O ATOM 973 OE2 GLU A 61 0.354 16.247 -4.114 1.00 2.33 O ATOM 0 H GLU A 61 3.085 11.002 -4.672 1.00 0.50 H new ATOM 0 HA GLU A 61 2.841 12.417 -2.888 1.00 0.56 H new ATOM 0 HB2 GLU A 61 0.610 13.155 -4.526 1.00 0.73 H new ATOM 0 HB3 GLU A 61 0.001 13.014 -2.889 1.00 0.73 H new ATOM 0 HG2 GLU A 61 1.178 14.853 -2.170 1.00 1.29 H new ATOM 0 HG3 GLU A 61 2.645 14.341 -2.980 1.00 1.29 H new ATOM 980 N VAL A 62 2.070 10.025 -1.800 1.00 0.41 N ATOM 981 CA VAL A 62 1.631 9.093 -0.718 1.00 0.43 C ATOM 982 C VAL A 62 2.108 9.650 0.629 1.00 0.52 C ATOM 983 O VAL A 62 3.294 9.818 0.856 1.00 0.70 O ATOM 984 CB VAL A 62 2.235 7.704 -0.960 1.00 0.45 C ATOM 985 CG1 VAL A 62 1.748 6.727 0.117 1.00 0.58 C ATOM 986 CG2 VAL A 62 1.802 7.196 -2.342 1.00 0.45 C ATOM 0 H VAL A 62 2.943 9.769 -2.260 1.00 0.41 H new ATOM 0 HA VAL A 62 0.545 9.004 -0.714 1.00 0.43 H new ATOM 0 HB VAL A 62 3.322 7.772 -0.916 1.00 0.45 H new ATOM 0 HG11 VAL A 62 2.181 5.743 -0.062 1.00 0.58 H new ATOM 0 HG12 VAL A 62 2.055 7.086 1.099 1.00 0.58 H new ATOM 0 HG13 VAL A 62 0.661 6.657 0.080 1.00 0.58 H new ATOM 0 HG21 VAL A 62 2.230 6.209 -2.517 1.00 0.45 H new ATOM 0 HG22 VAL A 62 0.715 7.133 -2.382 1.00 0.45 H new ATOM 0 HG23 VAL A 62 2.154 7.885 -3.110 1.00 0.45 H new ATOM 996 N HIS A 63 1.190 9.952 1.516 1.00 0.54 N ATOM 997 CA HIS A 63 1.575 10.517 2.848 1.00 0.70 C ATOM 998 C HIS A 63 1.540 9.425 3.923 1.00 0.54 C ATOM 999 O HIS A 63 1.093 8.315 3.687 1.00 0.48 O ATOM 1000 CB HIS A 63 0.601 11.636 3.229 1.00 0.90 C ATOM 1001 CG HIS A 63 0.853 12.841 2.364 1.00 1.19 C ATOM 1002 ND1 HIS A 63 -0.006 13.210 1.342 1.00 1.72 N ATOM 1003 CD2 HIS A 63 1.865 13.767 2.354 1.00 1.69 C ATOM 1004 CE1 HIS A 63 0.501 14.315 0.765 1.00 1.83 C ATOM 1005 NE2 HIS A 63 1.642 14.696 1.344 1.00 1.75 N ATOM 0 H HIS A 63 0.187 9.831 1.374 1.00 0.54 H new ATOM 0 HA HIS A 63 2.588 10.914 2.781 1.00 0.70 H new ATOM 0 HB2 HIS A 63 -0.427 11.295 3.105 1.00 0.90 H new ATOM 0 HB3 HIS A 63 0.725 11.898 4.280 1.00 0.90 H new ATOM 0 HD2 HIS A 63 2.708 13.773 3.029 1.00 1.69 H new ATOM 0 HE1 HIS A 63 0.041 14.831 -0.065 1.00 1.83 H new ATOM 0 HE2 HIS A 63 2.225 15.496 1.098 1.00 1.75 H new ATOM 1013 N ASP A 64 2.011 9.743 5.107 1.00 0.55 N ATOM 1014 CA ASP A 64 2.016 8.746 6.218 1.00 0.45 C ATOM 1015 C ASP A 64 0.578 8.498 6.692 1.00 0.36 C ATOM 1016 O ASP A 64 -0.213 9.418 6.811 1.00 0.43 O ATOM 1017 CB ASP A 64 2.857 9.281 7.383 1.00 0.48 C ATOM 1018 CG ASP A 64 3.192 8.136 8.346 1.00 0.53 C ATOM 1019 OD1 ASP A 64 2.384 7.864 9.219 1.00 0.75 O ATOM 1020 OD2 ASP A 64 4.252 7.551 8.193 1.00 0.82 O ATOM 0 H ASP A 64 2.394 10.657 5.349 1.00 0.55 H new ATOM 0 HA ASP A 64 2.445 7.809 5.863 1.00 0.45 H new ATOM 0 HB2 ASP A 64 3.775 9.732 7.005 1.00 0.48 H new ATOM 0 HB3 ASP A 64 2.311 10.064 7.909 1.00 0.48 H new ATOM 1025 N GLN A 65 0.246 7.257 6.962 1.00 0.31 N ATOM 1026 CA GLN A 65 -1.131 6.905 7.432 1.00 0.32 C ATOM 1027 C GLN A 65 -2.169 7.271 6.355 1.00 0.35 C ATOM 1028 O GLN A 65 -3.283 7.664 6.660 1.00 0.52 O ATOM 1029 CB GLN A 65 -1.433 7.652 8.739 1.00 0.41 C ATOM 1030 CG GLN A 65 -1.669 6.640 9.863 1.00 0.49 C ATOM 1031 CD GLN A 65 -0.328 6.250 10.492 1.00 0.64 C ATOM 1032 OE1 GLN A 65 0.108 6.863 11.447 1.00 0.89 O ATOM 1033 NE2 GLN A 65 0.350 5.251 9.993 1.00 0.84 N ATOM 0 H GLN A 65 0.880 6.463 6.875 1.00 0.31 H new ATOM 0 HA GLN A 65 -1.186 5.832 7.613 1.00 0.32 H new ATOM 0 HB2 GLN A 65 -0.602 8.309 8.995 1.00 0.41 H new ATOM 0 HB3 GLN A 65 -2.312 8.284 8.614 1.00 0.41 H new ATOM 0 HG2 GLN A 65 -2.326 7.068 10.620 1.00 0.49 H new ATOM 0 HG3 GLN A 65 -2.169 5.755 9.470 1.00 0.49 H new ATOM 0 HE21 GLN A 65 -0.015 4.736 9.192 1.00 0.84 H new ATOM 0 HE22 GLN A 65 1.245 4.986 10.405 1.00 0.84 H new ATOM 1042 N THR A 66 -1.813 7.131 5.096 1.00 0.31 N ATOM 1043 CA THR A 66 -2.775 7.456 3.996 1.00 0.36 C ATOM 1044 C THR A 66 -3.601 6.205 3.651 1.00 0.32 C ATOM 1045 O THR A 66 -3.291 5.107 4.083 1.00 0.30 O ATOM 1046 CB THR A 66 -2.002 7.953 2.760 1.00 0.43 C ATOM 1047 OG1 THR A 66 -2.914 8.512 1.825 1.00 0.55 O ATOM 1048 CG2 THR A 66 -1.245 6.797 2.100 1.00 0.39 C ATOM 0 H THR A 66 -0.897 6.806 4.786 1.00 0.31 H new ATOM 0 HA THR A 66 -3.453 8.245 4.322 1.00 0.36 H new ATOM 0 HB THR A 66 -1.284 8.709 3.077 1.00 0.43 H new ATOM 0 HG1 THR A 66 -2.416 8.971 1.117 1.00 0.55 H new ATOM 0 HG21 THR A 66 -0.705 7.166 1.228 1.00 0.39 H new ATOM 0 HG22 THR A 66 -0.538 6.372 2.812 1.00 0.39 H new ATOM 0 HG23 THR A 66 -1.953 6.029 1.789 1.00 0.39 H new ATOM 1056 N ASN A 67 -4.653 6.366 2.881 1.00 0.39 N ATOM 1057 CA ASN A 67 -5.506 5.195 2.514 1.00 0.39 C ATOM 1058 C ASN A 67 -5.126 4.689 1.118 1.00 0.35 C ATOM 1059 O ASN A 67 -5.164 5.423 0.144 1.00 0.46 O ATOM 1060 CB ASN A 67 -6.981 5.611 2.525 1.00 0.54 C ATOM 1061 CG ASN A 67 -7.865 4.360 2.517 1.00 0.70 C ATOM 1062 OD1 ASN A 67 -8.212 3.856 1.467 1.00 0.92 O ATOM 1063 ND2 ASN A 67 -8.245 3.834 3.651 1.00 0.88 N ATOM 0 H ASN A 67 -4.955 7.259 2.492 1.00 0.39 H new ATOM 0 HA ASN A 67 -5.348 4.397 3.239 1.00 0.39 H new ATOM 0 HB2 ASN A 67 -7.193 6.214 3.408 1.00 0.54 H new ATOM 0 HB3 ASN A 67 -7.202 6.231 1.656 1.00 0.54 H new ATOM 0 HD21 ASN A 67 -8.833 3.000 3.655 1.00 0.88 H new ATOM 0 HD22 ASN A 67 -7.954 4.257 4.532 1.00 0.88 H new ATOM 1070 N LEU A 68 -4.766 3.431 1.023 1.00 0.29 N ATOM 1071 CA LEU A 68 -4.384 2.838 -0.295 1.00 0.28 C ATOM 1072 C LEU A 68 -5.433 1.798 -0.706 1.00 0.29 C ATOM 1073 O LEU A 68 -6.015 1.126 0.128 1.00 0.37 O ATOM 1074 CB LEU A 68 -3.011 2.160 -0.172 1.00 0.31 C ATOM 1075 CG LEU A 68 -1.942 2.990 -0.898 1.00 0.40 C ATOM 1076 CD1 LEU A 68 -2.300 3.114 -2.383 1.00 0.57 C ATOM 1077 CD2 LEU A 68 -1.860 4.388 -0.273 1.00 0.56 C ATOM 0 H LEU A 68 -4.721 2.785 1.811 1.00 0.29 H new ATOM 0 HA LEU A 68 -4.334 3.624 -1.049 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -2.745 2.050 0.879 1.00 0.31 H new ATOM 0 HB3 LEU A 68 -3.053 1.157 -0.597 1.00 0.31 H new ATOM 0 HG LEU A 68 -0.977 2.492 -0.800 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -1.538 3.704 -2.893 1.00 0.57 H new ATOM 0 HD12 LEU A 68 -2.349 2.121 -2.830 1.00 0.57 H new ATOM 0 HD13 LEU A 68 -3.268 3.606 -2.484 1.00 0.57 H new ATOM 0 HD21 LEU A 68 -1.101 4.974 -0.791 1.00 0.56 H new ATOM 0 HD22 LEU A 68 -2.826 4.885 -0.364 1.00 0.56 H new ATOM 0 HD23 LEU A 68 -1.595 4.301 0.781 1.00 0.56 H new ATOM 1089 N GLU A 69 -5.678 1.664 -1.987 1.00 0.30 N ATOM 1090 CA GLU A 69 -6.686 0.672 -2.469 1.00 0.32 C ATOM 1091 C GLU A 69 -5.967 -0.562 -3.027 1.00 0.29 C ATOM 1092 O GLU A 69 -4.865 -0.468 -3.539 1.00 0.33 O ATOM 1093 CB GLU A 69 -7.542 1.308 -3.570 1.00 0.39 C ATOM 1094 CG GLU A 69 -8.473 2.362 -2.958 1.00 0.44 C ATOM 1095 CD GLU A 69 -7.864 3.760 -3.132 1.00 0.46 C ATOM 1096 OE1 GLU A 69 -8.034 4.332 -4.198 1.00 0.54 O ATOM 1097 OE2 GLU A 69 -7.240 4.236 -2.197 1.00 0.54 O ATOM 0 H GLU A 69 -5.220 2.203 -2.722 1.00 0.30 H new ATOM 0 HA GLU A 69 -7.326 0.372 -1.639 1.00 0.32 H new ATOM 0 HB2 GLU A 69 -6.901 1.768 -4.322 1.00 0.39 H new ATOM 0 HB3 GLU A 69 -8.128 0.541 -4.077 1.00 0.39 H new ATOM 0 HG2 GLU A 69 -9.451 2.319 -3.438 1.00 0.44 H new ATOM 0 HG3 GLU A 69 -8.628 2.152 -1.900 1.00 0.44 H new ATOM 1104 N LEU A 70 -6.585 -1.716 -2.931 1.00 0.29 N ATOM 1105 CA LEU A 70 -5.950 -2.963 -3.454 1.00 0.28 C ATOM 1106 C LEU A 70 -6.901 -3.651 -4.437 1.00 0.27 C ATOM 1107 O LEU A 70 -8.098 -3.725 -4.218 1.00 0.32 O ATOM 1108 CB LEU A 70 -5.636 -3.915 -2.295 1.00 0.31 C ATOM 1109 CG LEU A 70 -4.750 -5.066 -2.789 1.00 0.33 C ATOM 1110 CD1 LEU A 70 -3.453 -4.513 -3.389 1.00 0.39 C ATOM 1111 CD2 LEU A 70 -4.412 -5.984 -1.611 1.00 0.45 C ATOM 0 H LEU A 70 -7.505 -1.846 -2.511 1.00 0.29 H new ATOM 0 HA LEU A 70 -5.023 -2.703 -3.966 1.00 0.28 H new ATOM 0 HB2 LEU A 70 -5.131 -3.374 -1.495 1.00 0.31 H new ATOM 0 HB3 LEU A 70 -6.562 -4.311 -1.877 1.00 0.31 H new ATOM 0 HG LEU A 70 -5.286 -5.626 -3.555 1.00 0.33 H new ATOM 0 HD11 LEU A 70 -2.832 -5.339 -3.736 1.00 0.39 H new ATOM 0 HD12 LEU A 70 -3.690 -3.859 -4.228 1.00 0.39 H new ATOM 0 HD13 LEU A 70 -2.913 -3.947 -2.630 1.00 0.39 H new ATOM 0 HD21 LEU A 70 -3.782 -6.804 -1.957 1.00 0.45 H new ATOM 0 HD22 LEU A 70 -3.880 -5.416 -0.848 1.00 0.45 H new ATOM 0 HD23 LEU A 70 -5.332 -6.387 -1.188 1.00 0.45 H new ATOM 1123 N TYR A 71 -6.366 -4.155 -5.518 1.00 0.29 N ATOM 1124 CA TYR A 71 -7.204 -4.845 -6.542 1.00 0.32 C ATOM 1125 C TYR A 71 -6.453 -6.077 -7.060 1.00 0.33 C ATOM 1126 O TYR A 71 -5.239 -6.070 -7.175 1.00 0.38 O ATOM 1127 CB TYR A 71 -7.468 -3.884 -7.704 1.00 0.40 C ATOM 1128 CG TYR A 71 -8.748 -3.120 -7.461 1.00 0.45 C ATOM 1129 CD1 TYR A 71 -9.971 -3.644 -7.897 1.00 0.81 C ATOM 1130 CD2 TYR A 71 -8.712 -1.883 -6.805 1.00 0.55 C ATOM 1131 CE1 TYR A 71 -11.158 -2.931 -7.678 1.00 1.05 C ATOM 1132 CE2 TYR A 71 -9.897 -1.171 -6.585 1.00 0.85 C ATOM 1133 CZ TYR A 71 -11.120 -1.695 -7.021 1.00 1.04 C ATOM 1134 OH TYR A 71 -12.288 -0.990 -6.808 1.00 1.37 O ATOM 0 H TYR A 71 -5.371 -4.117 -5.737 1.00 0.29 H new ATOM 0 HA TYR A 71 -8.151 -5.154 -6.099 1.00 0.32 H new ATOM 0 HB2 TYR A 71 -6.634 -3.189 -7.809 1.00 0.40 H new ATOM 0 HB3 TYR A 71 -7.539 -4.441 -8.638 1.00 0.40 H new ATOM 0 HD1 TYR A 71 -10.000 -4.598 -8.402 1.00 0.81 H new ATOM 0 HD2 TYR A 71 -7.769 -1.478 -6.469 1.00 0.55 H new ATOM 0 HE1 TYR A 71 -12.101 -3.335 -8.016 1.00 1.05 H new ATOM 0 HE2 TYR A 71 -9.868 -0.217 -6.079 1.00 0.85 H new ATOM 0 HH TYR A 71 -12.085 -0.154 -6.338 1.00 1.37 H new ATOM 1144 N TYR A 72 -7.163 -7.133 -7.373 1.00 0.49 N ATOM 1145 CA TYR A 72 -6.490 -8.368 -7.882 1.00 0.55 C ATOM 1146 C TYR A 72 -6.694 -8.480 -9.394 1.00 0.72 C ATOM 1147 O TYR A 72 -7.806 -8.405 -9.889 1.00 0.96 O ATOM 1148 CB TYR A 72 -7.080 -9.601 -7.191 1.00 0.70 C ATOM 1149 CG TYR A 72 -6.766 -9.561 -5.710 1.00 0.68 C ATOM 1150 CD1 TYR A 72 -5.492 -9.175 -5.268 1.00 0.72 C ATOM 1151 CD2 TYR A 72 -7.750 -9.911 -4.778 1.00 0.90 C ATOM 1152 CE1 TYR A 72 -5.206 -9.139 -3.899 1.00 0.88 C ATOM 1153 CE2 TYR A 72 -7.463 -9.875 -3.406 1.00 0.94 C ATOM 1154 CZ TYR A 72 -6.190 -9.489 -2.967 1.00 0.90 C ATOM 1155 OH TYR A 72 -5.908 -9.453 -1.617 1.00 1.08 O ATOM 0 H TYR A 72 -8.178 -7.193 -7.298 1.00 0.49 H new ATOM 0 HA TYR A 72 -5.423 -8.310 -7.665 1.00 0.55 H new ATOM 0 HB2 TYR A 72 -8.159 -9.632 -7.342 1.00 0.70 H new ATOM 0 HB3 TYR A 72 -6.670 -10.508 -7.634 1.00 0.70 H new ATOM 0 HD1 TYR A 72 -4.731 -8.905 -5.985 1.00 0.72 H new ATOM 0 HD2 TYR A 72 -8.731 -10.209 -5.116 1.00 0.90 H new ATOM 0 HE1 TYR A 72 -4.225 -8.841 -3.561 1.00 0.88 H new ATOM 0 HE2 TYR A 72 -8.223 -10.145 -2.688 1.00 0.94 H new ATOM 0 HH TYR A 72 -6.701 -9.724 -1.110 1.00 1.08 H new ATOM 1165 N LEU A 73 -5.623 -8.661 -10.128 1.00 0.71 N ATOM 1166 CA LEU A 73 -5.734 -8.782 -11.613 1.00 0.92 C ATOM 1167 C LEU A 73 -5.989 -10.248 -11.997 1.00 0.99 C ATOM 1168 O LEU A 73 -6.950 -10.491 -12.710 1.00 1.25 O ATOM 1169 CB LEU A 73 -4.434 -8.292 -12.263 1.00 1.07 C ATOM 1170 CG LEU A 73 -4.750 -7.632 -13.609 1.00 1.53 C ATOM 1171 CD1 LEU A 73 -4.451 -6.133 -13.528 1.00 1.94 C ATOM 1172 CD2 LEU A 73 -3.890 -8.267 -14.704 1.00 1.83 C ATOM 1173 OXT LEU A 73 -5.226 -11.104 -11.573 1.00 1.00 O ATOM 0 H LEU A 73 -4.674 -8.730 -9.760 1.00 0.71 H new ATOM 0 HA LEU A 73 -6.566 -8.173 -11.966 1.00 0.92 H new ATOM 0 HB2 LEU A 73 -3.933 -7.581 -11.606 1.00 1.07 H new ATOM 0 HB3 LEU A 73 -3.750 -9.128 -12.408 1.00 1.07 H new ATOM 0 HG LEU A 73 -5.804 -7.778 -13.845 1.00 1.53 H new ATOM 0 HD11 LEU A 73 -4.676 -5.665 -14.486 1.00 1.94 H new ATOM 0 HD12 LEU A 73 -5.066 -5.681 -12.750 1.00 1.94 H new ATOM 0 HD13 LEU A 73 -3.398 -5.984 -13.290 1.00 1.94 H new ATOM 0 HD21 LEU A 73 -4.115 -7.797 -15.662 1.00 1.83 H new ATOM 0 HD22 LEU A 73 -2.836 -8.123 -14.468 1.00 1.83 H new ATOM 0 HD23 LEU A 73 -4.106 -9.334 -14.764 1.00 1.83 H new TER 1185 LEU A 73