USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 620 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 37 HIS : no HD1:sc= 0.613 K(o=1.3,f=-3!) USER MOD Set 1.2: A 39 THR OG1 : rot -80:sc= 0.698 USER MOD Set 2.1: A 17 ASN : amide:sc= 0.842 X(o=1.6,f=1.1) USER MOD Set 2.2: A 20 ASN : amide:sc= 0.726 X(o=1.6,f=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0294 (180deg=-0.192) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0258 K(o=-0.026,f=-0.67) USER MOD Single : A 28 ASN : amide:sc= 0.434 K(o=0.43,f=-6.8!) USER MOD Single : A 30 THR OG1 : rot -45:sc= 0.296 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.374 K(o=0.37,f=-4.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0367 K(o=-0.037,f=-0.9) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.07) USER MOD Single : A 49 TYR OH : rot -17:sc= 1.34 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.077 -22.194 2.394 1.00 0.00 N ATOM 2 CA MET A 1 1.277 -21.772 3.150 1.00 0.00 C ATOM 3 C MET A 1 1.146 -20.419 3.759 1.00 0.00 C ATOM 4 O MET A 1 0.229 -19.662 3.442 1.00 0.00 O ATOM 5 CB MET A 1 2.502 -21.845 2.221 1.00 0.00 C ATOM 6 CG MET A 1 2.818 -23.242 1.684 1.00 0.00 C ATOM 7 SD MET A 1 3.141 -24.470 2.986 1.00 0.00 S ATOM 8 CE MET A 1 3.521 -25.841 1.857 1.00 0.00 C ATOM 0 H1 MET A 1 -0.198 -23.154 2.686 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.705 -21.536 2.588 1.00 0.00 H new ATOM 0 H3 MET A 1 0.289 -22.189 1.376 1.00 0.00 H new ATOM 0 HA MET A 1 1.400 -22.457 3.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.341 -21.175 1.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.373 -21.473 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.983 -23.584 1.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.688 -23.182 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.759 -26.734 2.436 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.658 -26.039 1.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.375 -25.574 1.235 1.00 0.00 H new ATOM 20 N LYS A 2 2.050 -20.066 4.691 1.00 0.00 N ATOM 21 CA LYS A 2 2.063 -18.807 5.369 1.00 0.00 C ATOM 22 C LYS A 2 2.885 -17.774 4.678 1.00 0.00 C ATOM 23 O LYS A 2 2.343 -16.865 4.051 1.00 0.00 O ATOM 24 CB LYS A 2 2.521 -18.970 6.829 1.00 0.00 C ATOM 25 CG LYS A 2 1.511 -19.729 7.690 1.00 0.00 C ATOM 26 CD LYS A 2 1.970 -19.862 9.144 1.00 0.00 C ATOM 27 CE LYS A 2 0.937 -20.512 10.065 1.00 0.00 C ATOM 28 NZ LYS A 2 0.844 -21.972 9.842 1.00 0.00 N ATOM 0 H LYS A 2 2.805 -20.686 4.985 1.00 0.00 H new ATOM 0 HA LYS A 2 1.034 -18.448 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.475 -19.497 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.692 -17.985 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.551 -19.213 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.352 -20.722 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.888 -20.450 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.213 -18.872 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.204 -20.319 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.038 -20.056 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.134 -22.377 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.565 -22.156 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.768 -22.411 10.027 1.00 0.00 H new ATOM 42 N LYS A 3 4.225 -17.839 4.780 1.00 0.00 N ATOM 43 CA LYS A 3 5.101 -16.774 4.402 1.00 0.00 C ATOM 44 C LYS A 3 5.157 -16.485 2.941 1.00 0.00 C ATOM 45 O LYS A 3 5.349 -17.388 2.129 1.00 0.00 O ATOM 46 CB LYS A 3 6.531 -17.057 4.891 1.00 0.00 C ATOM 47 CG LYS A 3 6.637 -17.236 6.408 1.00 0.00 C ATOM 48 CD LYS A 3 8.076 -17.329 6.920 1.00 0.00 C ATOM 49 CE LYS A 3 8.821 -18.615 6.559 1.00 0.00 C ATOM 50 NZ LYS A 3 10.148 -18.607 7.214 1.00 0.00 N ATOM 0 H LYS A 3 4.714 -18.660 5.137 1.00 0.00 H new ATOM 0 HA LYS A 3 4.675 -15.892 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.902 -17.957 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.180 -16.237 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.140 -16.399 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.100 -18.139 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.638 -16.482 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.064 -17.229 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.248 -19.484 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.936 -18.692 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.660 -19.479 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.692 -17.784 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.026 -18.552 8.245 1.00 0.00 H new ATOM 64 N VAL A 4 5.000 -15.202 2.569 1.00 0.00 N ATOM 65 CA VAL A 4 5.106 -14.663 1.250 1.00 0.00 C ATOM 66 C VAL A 4 3.955 -15.094 0.406 1.00 0.00 C ATOM 67 O VAL A 4 4.018 -16.110 -0.285 1.00 0.00 O ATOM 68 CB VAL A 4 6.398 -14.950 0.544 1.00 0.00 C ATOM 69 CG1 VAL A 4 6.536 -14.100 -0.730 1.00 0.00 C ATOM 70 CG2 VAL A 4 7.627 -14.708 1.437 1.00 0.00 C ATOM 0 H VAL A 4 4.779 -14.480 3.255 1.00 0.00 H new ATOM 0 HA VAL A 4 5.087 -13.583 1.393 1.00 0.00 H new ATOM 0 HB VAL A 4 6.366 -16.008 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.482 -14.330 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.712 -14.324 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.512 -13.043 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.534 -14.931 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.645 -13.666 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.574 -15.355 2.313 1.00 0.00 H new ATOM 80 N ILE A 5 2.823 -14.366 0.429 1.00 0.00 N ATOM 81 CA ILE A 5 1.628 -14.911 -0.135 1.00 0.00 C ATOM 82 C ILE A 5 1.569 -14.781 -1.619 1.00 0.00 C ATOM 83 O ILE A 5 1.651 -15.771 -2.345 1.00 0.00 O ATOM 84 CB ILE A 5 0.348 -14.455 0.500 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.392 -14.638 2.027 1.00 0.00 C ATOM 86 CG2 ILE A 5 -0.830 -15.283 -0.042 1.00 0.00 C ATOM 87 CD1 ILE A 5 0.582 -13.313 2.764 1.00 0.00 C ATOM 0 H ILE A 5 2.735 -13.430 0.825 1.00 0.00 H new ATOM 0 HA ILE A 5 1.706 -15.971 0.108 1.00 0.00 H new ATOM 0 HB ILE A 5 0.220 -13.399 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.533 -15.108 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.206 -15.316 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.756 -14.946 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.899 -15.154 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.671 -16.336 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.607 -13.495 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.520 -12.854 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.245 -12.644 2.528 1.00 0.00 H new ATOM 99 N ALA A 6 1.361 -13.553 -2.126 1.00 0.00 N ATOM 100 CA ALA A 6 0.875 -13.390 -3.461 1.00 0.00 C ATOM 101 C ALA A 6 1.214 -12.093 -4.112 1.00 0.00 C ATOM 102 O ALA A 6 1.632 -11.123 -3.482 1.00 0.00 O ATOM 103 CB ALA A 6 -0.657 -13.527 -3.475 1.00 0.00 C ATOM 0 H ALA A 6 1.527 -12.683 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 6 1.377 -14.171 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.024 -13.402 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.937 -14.514 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.097 -12.762 -2.835 1.00 0.00 H new ATOM 109 N THR A 7 0.973 -12.068 -5.436 1.00 0.00 N ATOM 110 CA THR A 7 1.089 -10.962 -6.335 1.00 0.00 C ATOM 111 C THR A 7 -0.266 -10.547 -6.797 1.00 0.00 C ATOM 112 O THR A 7 -1.109 -11.381 -7.125 1.00 0.00 O ATOM 113 CB THR A 7 1.901 -11.338 -7.540 1.00 0.00 C ATOM 114 OG1 THR A 7 1.478 -12.558 -8.131 1.00 0.00 O ATOM 115 CG2 THR A 7 3.355 -11.573 -7.097 1.00 0.00 C ATOM 0 H THR A 7 0.666 -12.910 -5.923 1.00 0.00 H new ATOM 0 HA THR A 7 1.581 -10.146 -5.805 1.00 0.00 H new ATOM 0 HB THR A 7 1.788 -10.527 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.038 -12.755 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.959 -11.847 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.752 -10.660 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.386 -12.378 -6.363 1.00 0.00 H new ATOM 123 N LYS A 8 -0.555 -9.232 -6.800 1.00 0.00 N ATOM 124 CA LYS A 8 -1.827 -8.638 -7.068 1.00 0.00 C ATOM 125 C LYS A 8 -2.942 -9.044 -6.166 1.00 0.00 C ATOM 126 O LYS A 8 -3.830 -9.834 -6.480 1.00 0.00 O ATOM 127 CB LYS A 8 -2.213 -8.665 -8.557 1.00 0.00 C ATOM 128 CG LYS A 8 -3.134 -7.500 -8.925 1.00 0.00 C ATOM 129 CD LYS A 8 -3.741 -7.610 -10.326 1.00 0.00 C ATOM 130 CE LYS A 8 -2.777 -7.274 -11.465 1.00 0.00 C ATOM 131 NZ LYS A 8 -3.434 -7.525 -12.767 1.00 0.00 N ATOM 0 H LYS A 8 0.159 -8.532 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.665 -7.592 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.311 -8.622 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.709 -9.608 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.940 -7.442 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.572 -6.569 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.112 -8.625 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.602 -6.945 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.469 -6.231 -11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.874 -7.879 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.775 -7.295 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.706 -8.527 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.283 -6.930 -12.848 1.00 0.00 H new ATOM 145 N VAL A 9 -2.901 -8.478 -4.947 1.00 0.00 N ATOM 146 CA VAL A 9 -3.755 -8.659 -3.813 1.00 0.00 C ATOM 147 C VAL A 9 -4.314 -7.312 -3.509 1.00 0.00 C ATOM 148 O VAL A 9 -3.667 -6.305 -3.791 1.00 0.00 O ATOM 149 CB VAL A 9 -2.916 -9.075 -2.641 1.00 0.00 C ATOM 150 CG1 VAL A 9 -3.805 -9.443 -1.440 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.046 -10.286 -3.019 1.00 0.00 C ATOM 0 H VAL A 9 -2.168 -7.802 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.527 -9.404 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.276 -8.237 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.177 -9.742 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.406 -8.580 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.462 -10.268 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.440 -10.581 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.687 -11.117 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.393 -10.020 -3.850 1.00 0.00 H new ATOM 161 N LEU A 10 -5.535 -7.200 -2.955 1.00 0.00 N ATOM 162 CA LEU A 10 -6.096 -5.920 -2.651 1.00 0.00 C ATOM 163 C LEU A 10 -6.281 -5.719 -1.186 1.00 0.00 C ATOM 164 O LEU A 10 -6.137 -6.612 -0.352 1.00 0.00 O ATOM 165 CB LEU A 10 -7.378 -5.669 -3.462 1.00 0.00 C ATOM 166 CG LEU A 10 -7.102 -5.121 -4.872 1.00 0.00 C ATOM 167 CD1 LEU A 10 -6.469 -6.120 -5.854 1.00 0.00 C ATOM 168 CD2 LEU A 10 -8.384 -4.526 -5.480 1.00 0.00 C ATOM 0 H LEU A 10 -6.132 -7.993 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.377 -5.161 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.937 -6.601 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.010 -4.964 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.350 -4.346 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.316 -5.635 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.510 -6.458 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.132 -6.976 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.170 -4.143 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.149 -5.300 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.743 -3.713 -4.849 1.00 0.00 H new ATOM 180 N GLY A 11 -6.566 -4.472 -0.773 1.00 0.00 N ATOM 181 CA GLY A 11 -6.836 -4.203 0.605 1.00 0.00 C ATOM 182 C GLY A 11 -7.137 -2.768 0.873 1.00 0.00 C ATOM 183 O GLY A 11 -7.209 -1.942 -0.036 1.00 0.00 O ATOM 0 H GLY A 11 -6.609 -3.657 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.680 -4.812 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.977 -4.506 1.203 1.00 0.00 H new ATOM 187 N THR A 12 -7.251 -2.423 2.168 1.00 0.00 N ATOM 188 CA THR A 12 -7.759 -1.163 2.613 1.00 0.00 C ATOM 189 C THR A 12 -6.690 -0.425 3.342 1.00 0.00 C ATOM 190 O THR A 12 -6.002 -0.978 4.197 1.00 0.00 O ATOM 191 CB THR A 12 -8.908 -1.331 3.563 1.00 0.00 C ATOM 192 OG1 THR A 12 -9.990 -2.005 2.940 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.475 0.010 4.062 1.00 0.00 C ATOM 0 H THR A 12 -6.980 -3.043 2.931 1.00 0.00 H new ATOM 0 HA THR A 12 -8.094 -0.620 1.729 1.00 0.00 H new ATOM 0 HB THR A 12 -8.500 -1.899 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.726 -2.104 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.303 -0.177 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.694 0.564 4.582 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.830 0.594 3.213 1.00 0.00 H new ATOM 201 N VAL A 13 -6.461 0.860 3.020 1.00 0.00 N ATOM 202 CA VAL A 13 -5.438 1.662 3.619 1.00 0.00 C ATOM 203 C VAL A 13 -5.667 1.950 5.064 1.00 0.00 C ATOM 204 O VAL A 13 -6.770 2.277 5.497 1.00 0.00 O ATOM 205 CB VAL A 13 -5.258 2.946 2.864 1.00 0.00 C ATOM 206 CG1 VAL A 13 -4.124 3.817 3.430 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.932 2.627 1.395 1.00 0.00 C ATOM 0 H VAL A 13 -7.007 1.359 2.318 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.527 1.067 3.561 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.190 3.504 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.041 4.732 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.342 4.069 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.184 3.268 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.800 3.557 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.014 2.041 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.751 2.056 0.956 1.00 0.00 H new ATOM 217 N LYS A 14 -4.622 1.833 5.901 1.00 0.00 N ATOM 218 CA LYS A 14 -4.676 2.219 7.278 1.00 0.00 C ATOM 219 C LYS A 14 -4.150 3.605 7.436 1.00 0.00 C ATOM 220 O LYS A 14 -4.847 4.488 7.933 1.00 0.00 O ATOM 221 CB LYS A 14 -3.904 1.207 8.141 1.00 0.00 C ATOM 222 CG LYS A 14 -4.084 1.384 9.650 1.00 0.00 C ATOM 223 CD LYS A 14 -3.427 0.242 10.430 1.00 0.00 C ATOM 224 CE LYS A 14 -3.613 0.324 11.946 1.00 0.00 C ATOM 225 NZ LYS A 14 -2.898 -0.784 12.619 1.00 0.00 N ATOM 0 H LYS A 14 -3.716 1.461 5.615 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.711 2.217 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.220 0.201 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.843 1.283 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.651 2.335 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.147 1.425 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.835 -0.705 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.360 0.232 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.240 1.280 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.674 0.281 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.036 -0.712 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.273 -1.694 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.883 -0.725 12.401 1.00 0.00 H new ATOM 239 N TRP A 15 -2.909 3.865 6.987 1.00 0.00 N ATOM 240 CA TRP A 15 -2.296 5.155 7.036 1.00 0.00 C ATOM 241 C TRP A 15 -1.226 5.262 6.005 1.00 0.00 C ATOM 242 O TRP A 15 -0.355 4.400 5.909 1.00 0.00 O ATOM 243 CB TRP A 15 -1.718 5.374 8.445 1.00 0.00 C ATOM 244 CG TRP A 15 -0.991 6.669 8.724 1.00 0.00 C ATOM 245 CD1 TRP A 15 0.354 6.887 8.786 1.00 0.00 C ATOM 246 CD2 TRP A 15 -1.606 7.919 9.085 1.00 0.00 C ATOM 247 NE1 TRP A 15 0.618 8.189 9.123 1.00 0.00 N ATOM 248 CE2 TRP A 15 -0.577 8.843 9.304 1.00 0.00 C ATOM 249 CE3 TRP A 15 -2.916 8.294 9.213 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -0.851 10.128 9.683 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -3.189 9.585 9.600 1.00 0.00 C ATOM 252 CH2 TRP A 15 -2.172 10.483 9.828 1.00 0.00 C ATOM 0 H TRP A 15 -2.311 3.149 6.574 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.039 5.924 6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.538 5.292 9.158 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.031 4.554 8.654 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.107 6.137 8.596 1.00 0.00 H new ATOM 0 HE1 TRP A 15 1.545 8.603 9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.715 7.594 9.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.058 10.839 9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.215 9.898 9.727 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.417 11.491 10.128 1.00 0.00 H new ATOM 263 N PHE A 16 -1.218 6.337 5.196 1.00 0.00 N ATOM 264 CA PHE A 16 -0.085 6.706 4.403 1.00 0.00 C ATOM 265 C PHE A 16 0.609 7.832 5.089 1.00 0.00 C ATOM 266 O PHE A 16 0.022 8.884 5.336 1.00 0.00 O ATOM 267 CB PHE A 16 -0.430 7.200 2.988 1.00 0.00 C ATOM 268 CG PHE A 16 -0.884 6.112 2.076 1.00 0.00 C ATOM 269 CD1 PHE A 16 -0.061 5.055 1.765 1.00 0.00 C ATOM 270 CD2 PHE A 16 -2.101 6.219 1.445 1.00 0.00 C ATOM 271 CE1 PHE A 16 -0.461 4.096 0.865 1.00 0.00 C ATOM 272 CE2 PHE A 16 -2.499 5.278 0.526 1.00 0.00 C ATOM 273 CZ PHE A 16 -1.687 4.201 0.253 1.00 0.00 C ATOM 0 H PHE A 16 -2.016 6.964 5.090 1.00 0.00 H new ATOM 0 HA PHE A 16 0.520 5.805 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.211 7.957 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.446 7.684 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.909 4.978 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.751 7.051 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.187 3.262 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.447 5.383 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.013 3.440 -0.441 1.00 0.00 H new ATOM 283 N ASN A 17 1.909 7.687 5.405 1.00 0.00 N ATOM 284 CA ASN A 17 2.709 8.705 6.014 1.00 0.00 C ATOM 285 C ASN A 17 3.590 9.351 5.001 1.00 0.00 C ATOM 286 O ASN A 17 4.796 9.122 4.929 1.00 0.00 O ATOM 287 CB ASN A 17 3.548 8.079 7.142 1.00 0.00 C ATOM 288 CG ASN A 17 4.148 9.174 8.013 1.00 0.00 C ATOM 289 OD1 ASN A 17 3.441 9.956 8.647 1.00 0.00 O ATOM 290 ND2 ASN A 17 5.503 9.286 8.000 1.00 0.00 N ATOM 0 H ASN A 17 2.424 6.824 5.229 1.00 0.00 H new ATOM 0 HA ASN A 17 2.060 9.474 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.925 7.421 7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.342 7.464 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.958 10.033 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.064 8.623 7.465 1.00 0.00 H new ATOM 297 N VAL A 18 3.001 10.239 4.178 1.00 0.00 N ATOM 298 CA VAL A 18 3.648 10.926 3.105 1.00 0.00 C ATOM 299 C VAL A 18 4.524 12.032 3.584 1.00 0.00 C ATOM 300 O VAL A 18 5.401 12.551 2.895 1.00 0.00 O ATOM 301 CB VAL A 18 2.635 11.428 2.119 1.00 0.00 C ATOM 302 CG1 VAL A 18 3.298 11.874 0.804 1.00 0.00 C ATOM 303 CG2 VAL A 18 1.619 10.315 1.815 1.00 0.00 C ATOM 0 H VAL A 18 2.017 10.490 4.268 1.00 0.00 H new ATOM 0 HA VAL A 18 4.298 10.208 2.605 1.00 0.00 H new ATOM 0 HB VAL A 18 2.136 12.290 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.534 12.231 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.007 12.677 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.824 11.030 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.883 10.680 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.138 9.453 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.115 10.021 2.736 1.00 0.00 H new ATOM 313 N ARG A 19 4.442 12.302 4.899 1.00 0.00 N ATOM 314 CA ARG A 19 5.237 13.198 5.682 1.00 0.00 C ATOM 315 C ARG A 19 6.668 12.788 5.756 1.00 0.00 C ATOM 316 O ARG A 19 7.578 13.612 5.809 1.00 0.00 O ATOM 317 CB ARG A 19 4.604 13.118 7.081 1.00 0.00 C ATOM 318 CG ARG A 19 5.103 14.074 8.165 1.00 0.00 C ATOM 319 CD ARG A 19 4.181 14.089 9.386 1.00 0.00 C ATOM 320 NE ARG A 19 4.837 14.879 10.467 1.00 0.00 N ATOM 321 CZ ARG A 19 4.365 14.910 11.748 1.00 0.00 C ATOM 322 NH1 ARG A 19 3.170 14.373 12.133 1.00 0.00 N ATOM 323 NH2 ARG A 19 5.125 15.482 12.726 1.00 0.00 N ATOM 0 H ARG A 19 3.739 11.839 5.475 1.00 0.00 H new ATOM 0 HA ARG A 19 5.244 14.198 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.531 13.276 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.740 12.101 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.107 13.781 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.177 15.081 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.218 14.529 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.986 13.072 9.726 1.00 0.00 H new ATOM 0 HE ARG A 19 5.673 15.418 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.572 13.915 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.876 14.430 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.035 15.881 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.783 15.511 13.686 1.00 0.00 H new ATOM 337 N ASN A 20 6.959 11.476 5.686 1.00 0.00 N ATOM 338 CA ASN A 20 8.302 10.984 5.655 1.00 0.00 C ATOM 339 C ASN A 20 8.516 10.057 4.509 1.00 0.00 C ATOM 340 O ASN A 20 9.510 10.151 3.791 1.00 0.00 O ATOM 341 CB ASN A 20 8.697 10.274 6.961 1.00 0.00 C ATOM 342 CG ASN A 20 8.474 11.219 8.133 1.00 0.00 C ATOM 343 OD1 ASN A 20 7.434 11.197 8.791 1.00 0.00 O ATOM 344 ND2 ASN A 20 9.465 12.112 8.401 1.00 0.00 N ATOM 0 H ASN A 20 6.249 10.744 5.650 1.00 0.00 H new ATOM 0 HA ASN A 20 8.939 11.860 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.104 9.369 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.742 9.967 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.355 12.783 9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.318 12.111 7.841 1.00 0.00 H new ATOM 351 N GLY A 21 7.608 9.096 4.260 1.00 0.00 N ATOM 352 CA GLY A 21 7.841 8.117 3.245 1.00 0.00 C ATOM 353 C GLY A 21 6.908 6.955 3.234 1.00 0.00 C ATOM 354 O GLY A 21 6.177 6.746 2.268 1.00 0.00 O ATOM 0 H GLY A 21 6.722 8.997 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.789 8.609 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.858 7.741 3.357 1.00 0.00 H new ATOM 358 N TYR A 22 6.807 6.207 4.348 1.00 0.00 N ATOM 359 CA TYR A 22 6.171 4.927 4.384 1.00 0.00 C ATOM 360 C TYR A 22 4.684 4.967 4.448 1.00 0.00 C ATOM 361 O TYR A 22 4.033 5.997 4.615 1.00 0.00 O ATOM 362 CB TYR A 22 6.641 4.117 5.605 1.00 0.00 C ATOM 363 CG TYR A 22 8.052 3.658 5.471 1.00 0.00 C ATOM 364 CD1 TYR A 22 8.323 2.480 4.818 1.00 0.00 C ATOM 365 CD2 TYR A 22 9.099 4.357 6.025 1.00 0.00 C ATOM 366 CE1 TYR A 22 9.600 1.975 4.771 1.00 0.00 C ATOM 367 CE2 TYR A 22 10.382 3.864 5.978 1.00 0.00 C ATOM 368 CZ TYR A 22 10.634 2.660 5.364 1.00 0.00 C ATOM 369 OH TYR A 22 11.943 2.134 5.343 1.00 0.00 O ATOM 0 H TYR A 22 7.179 6.502 5.251 1.00 0.00 H new ATOM 0 HA TYR A 22 6.460 4.466 3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.544 4.728 6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.991 3.252 5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.520 1.943 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.911 5.307 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.792 1.039 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.192 4.423 6.424 1.00 0.00 H new ATOM 0 HH TYR A 22 12.550 2.748 5.807 1.00 0.00 H new ATOM 379 N GLY A 23 4.029 3.806 4.264 1.00 0.00 N ATOM 380 CA GLY A 23 2.630 3.637 4.509 1.00 0.00 C ATOM 381 C GLY A 23 2.356 2.216 4.866 1.00 0.00 C ATOM 382 O GLY A 23 3.198 1.337 4.695 1.00 0.00 O ATOM 0 H GLY A 23 4.488 2.957 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.309 4.294 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.059 3.918 3.624 1.00 0.00 H new ATOM 386 N PHE A 24 1.142 1.934 5.371 1.00 0.00 N ATOM 387 CA PHE A 24 0.776 0.585 5.676 1.00 0.00 C ATOM 388 C PHE A 24 -0.678 0.340 5.458 1.00 0.00 C ATOM 389 O PHE A 24 -1.541 1.189 5.677 1.00 0.00 O ATOM 390 CB PHE A 24 1.289 0.062 7.029 1.00 0.00 C ATOM 391 CG PHE A 24 1.231 1.086 8.108 1.00 0.00 C ATOM 392 CD1 PHE A 24 0.058 1.312 8.789 1.00 0.00 C ATOM 393 CD2 PHE A 24 2.353 1.812 8.434 1.00 0.00 C ATOM 394 CE1 PHE A 24 -0.005 2.288 9.756 1.00 0.00 C ATOM 395 CE2 PHE A 24 2.293 2.790 9.399 1.00 0.00 C ATOM 396 CZ PHE A 24 1.110 3.036 10.055 1.00 0.00 C ATOM 0 H PHE A 24 0.422 2.629 5.566 1.00 0.00 H new ATOM 0 HA PHE A 24 1.314 -0.026 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.697 -0.804 7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.318 -0.279 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.817 0.721 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.287 1.613 7.929 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.931 2.467 10.281 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.175 3.365 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.056 3.814 10.802 1.00 0.00 H new ATOM 406 N ILE A 25 -0.973 -0.863 4.934 1.00 0.00 N ATOM 407 CA ILE A 25 -2.243 -1.293 4.437 1.00 0.00 C ATOM 408 C ILE A 25 -2.768 -2.371 5.321 1.00 0.00 C ATOM 409 O ILE A 25 -2.018 -3.012 6.056 1.00 0.00 O ATOM 410 CB ILE A 25 -2.151 -1.809 3.031 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.132 -1.044 2.170 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.512 -1.760 2.316 1.00 0.00 C ATOM 413 CD1 ILE A 25 -1.438 0.432 1.921 1.00 0.00 C ATOM 0 H ILE A 25 -0.265 -1.593 4.852 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.913 -0.433 4.433 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.816 -2.841 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.155 -1.116 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.052 -1.546 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.404 -2.142 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.231 -2.373 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.867 -0.730 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.652 0.867 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.396 0.524 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.485 0.960 2.874 1.00 0.00 H new ATOM 425 N ASN A 26 -4.085 -2.643 5.283 1.00 0.00 N ATOM 426 CA ASN A 26 -4.660 -3.862 5.762 1.00 0.00 C ATOM 427 C ASN A 26 -5.157 -4.696 4.632 1.00 0.00 C ATOM 428 O ASN A 26 -6.249 -4.494 4.102 1.00 0.00 O ATOM 429 CB ASN A 26 -5.828 -3.605 6.727 1.00 0.00 C ATOM 430 CG ASN A 26 -5.331 -2.913 7.989 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.745 -1.799 8.306 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.440 -3.591 8.759 1.00 0.00 N ATOM 0 H ASN A 26 -4.773 -1.992 4.906 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.868 -4.388 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.582 -2.988 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.308 -4.549 6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.097 -3.177 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.115 -4.514 8.470 1.00 0.00 H new ATOM 439 N ARG A 27 -4.365 -5.706 4.230 1.00 0.00 N ATOM 440 CA ARG A 27 -4.691 -6.747 3.305 1.00 0.00 C ATOM 441 C ARG A 27 -5.905 -7.538 3.652 1.00 0.00 C ATOM 442 O ARG A 27 -6.100 -7.908 4.808 1.00 0.00 O ATOM 443 CB ARG A 27 -3.450 -7.657 3.299 1.00 0.00 C ATOM 444 CG ARG A 27 -3.331 -8.829 2.323 1.00 0.00 C ATOM 445 CD ARG A 27 -4.317 -9.991 2.465 1.00 0.00 C ATOM 446 NE ARG A 27 -3.676 -11.265 2.031 1.00 0.00 N ATOM 447 CZ ARG A 27 -4.260 -12.184 1.208 1.00 0.00 C ATOM 448 NH1 ARG A 27 -5.307 -11.920 0.374 1.00 0.00 N ATOM 449 NH2 ARG A 27 -3.792 -13.466 1.255 1.00 0.00 N ATOM 0 H ARG A 27 -3.413 -5.801 4.585 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.934 -6.311 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.585 -7.015 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.352 -8.068 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.428 -8.432 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.323 -9.235 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.645 -10.075 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.206 -9.799 1.864 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.736 -11.464 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.706 -10.982 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.691 -12.661 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.031 -13.708 1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.203 -14.181 0.655 1.00 0.00 H new ATOM 463 N ASN A 28 -6.745 -7.857 2.651 1.00 0.00 N ATOM 464 CA ASN A 28 -7.916 -8.673 2.739 1.00 0.00 C ATOM 465 C ASN A 28 -7.737 -10.096 3.140 1.00 0.00 C ATOM 466 O ASN A 28 -7.653 -11.007 2.317 1.00 0.00 O ATOM 467 CB ASN A 28 -8.723 -8.556 1.434 1.00 0.00 C ATOM 468 CG ASN A 28 -8.005 -8.968 0.157 1.00 0.00 C ATOM 469 OD1 ASN A 28 -6.933 -9.571 0.108 1.00 0.00 O ATOM 470 ND2 ASN A 28 -8.653 -8.625 -0.989 1.00 0.00 N ATOM 0 H ASN A 28 -6.591 -7.515 1.703 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.465 -8.264 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.622 -9.164 1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.048 -7.521 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.251 -8.867 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.541 -8.125 -0.943 1.00 0.00 H new ATOM 477 N ASP A 29 -7.684 -10.385 4.453 1.00 0.00 N ATOM 478 CA ASP A 29 -7.564 -11.715 4.967 1.00 0.00 C ATOM 479 C ASP A 29 -8.027 -11.738 6.384 1.00 0.00 C ATOM 480 O ASP A 29 -9.143 -12.168 6.671 1.00 0.00 O ATOM 481 CB ASP A 29 -6.123 -12.225 4.797 1.00 0.00 C ATOM 482 CG ASP A 29 -5.978 -13.735 4.918 1.00 0.00 C ATOM 483 OD1 ASP A 29 -6.976 -14.481 5.104 1.00 0.00 O ATOM 484 OD2 ASP A 29 -4.820 -14.218 4.793 1.00 0.00 O ATOM 0 H ASP A 29 -7.726 -9.671 5.180 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.200 -12.398 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.752 -11.913 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.490 -11.749 5.546 1.00 0.00 H new ATOM 489 N THR A 30 -7.200 -11.233 7.316 1.00 0.00 N ATOM 490 CA THR A 30 -7.506 -11.167 8.712 1.00 0.00 C ATOM 491 C THR A 30 -6.995 -9.846 9.173 1.00 0.00 C ATOM 492 O THR A 30 -6.543 -9.638 10.297 1.00 0.00 O ATOM 493 CB THR A 30 -6.944 -12.322 9.487 1.00 0.00 C ATOM 494 OG1 THR A 30 -7.335 -12.298 10.851 1.00 0.00 O ATOM 495 CG2 THR A 30 -5.411 -12.420 9.411 1.00 0.00 C ATOM 0 H THR A 30 -6.280 -10.855 7.088 1.00 0.00 H new ATOM 0 HA THR A 30 -8.579 -11.249 8.884 1.00 0.00 H new ATOM 0 HB THR A 30 -7.367 -13.204 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.237 -11.389 11.203 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.072 -13.277 9.993 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.105 -12.544 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.968 -11.509 9.814 1.00 0.00 H new ATOM 503 N LYS A 31 -7.003 -8.875 8.242 1.00 0.00 N ATOM 504 CA LYS A 31 -6.317 -7.621 8.300 1.00 0.00 C ATOM 505 C LYS A 31 -4.848 -7.738 8.519 1.00 0.00 C ATOM 506 O LYS A 31 -4.362 -7.637 9.644 1.00 0.00 O ATOM 507 CB LYS A 31 -6.922 -6.619 9.298 1.00 0.00 C ATOM 508 CG LYS A 31 -8.260 -5.983 8.911 1.00 0.00 C ATOM 509 CD LYS A 31 -9.476 -6.865 9.197 1.00 0.00 C ATOM 510 CE LYS A 31 -10.827 -6.271 8.790 1.00 0.00 C ATOM 511 NZ LYS A 31 -11.144 -5.032 9.535 1.00 0.00 N ATOM 0 H LYS A 31 -7.534 -8.977 7.377 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.467 -7.218 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.051 -7.127 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.199 -5.819 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.372 -5.042 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.242 -5.742 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.345 -7.815 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.501 -7.085 10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.820 -6.058 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.612 -7.007 8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.067 -4.667 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.177 -5.238 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.410 -4.318 9.350 1.00 0.00 H new ATOM 525 N GLU A 32 -4.052 -7.996 7.467 1.00 0.00 N ATOM 526 CA GLU A 32 -2.656 -8.257 7.635 1.00 0.00 C ATOM 527 C GLU A 32 -1.905 -7.021 7.275 1.00 0.00 C ATOM 528 O GLU A 32 -2.237 -6.355 6.294 1.00 0.00 O ATOM 529 CB GLU A 32 -2.276 -9.450 6.741 1.00 0.00 C ATOM 530 CG GLU A 32 -2.594 -10.809 7.369 1.00 0.00 C ATOM 531 CD GLU A 32 -1.477 -11.260 8.298 1.00 0.00 C ATOM 532 OE1 GLU A 32 -1.503 -10.903 9.506 1.00 0.00 O ATOM 533 OE2 GLU A 32 -0.532 -11.942 7.819 1.00 0.00 O ATOM 0 H GLU A 32 -4.375 -8.024 6.500 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.409 -8.516 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.804 -9.365 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.210 -9.402 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.530 -10.746 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.739 -11.551 6.584 1.00 0.00 H new ATOM 540 N ASP A 33 -0.886 -6.675 8.082 1.00 0.00 N ATOM 541 CA ASP A 33 -0.190 -5.429 7.984 1.00 0.00 C ATOM 542 C ASP A 33 0.807 -5.490 6.879 1.00 0.00 C ATOM 543 O ASP A 33 1.807 -6.203 6.951 1.00 0.00 O ATOM 544 CB ASP A 33 0.541 -5.078 9.291 1.00 0.00 C ATOM 545 CG ASP A 33 -0.373 -4.448 10.332 1.00 0.00 C ATOM 546 OD1 ASP A 33 -1.614 -4.348 10.138 1.00 0.00 O ATOM 547 OD2 ASP A 33 0.164 -3.966 11.365 1.00 0.00 O ATOM 0 H ASP A 33 -0.536 -7.280 8.825 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.933 -4.657 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.986 -5.982 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.359 -4.392 9.071 1.00 0.00 H new ATOM 552 N VAL A 34 0.542 -4.746 5.790 1.00 0.00 N ATOM 553 CA VAL A 34 1.374 -4.732 4.627 1.00 0.00 C ATOM 554 C VAL A 34 2.028 -3.398 4.509 1.00 0.00 C ATOM 555 O VAL A 34 1.361 -2.373 4.371 1.00 0.00 O ATOM 556 CB VAL A 34 0.585 -5.083 3.400 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.456 -4.954 2.138 1.00 0.00 C ATOM 558 CG2 VAL A 34 0.114 -6.542 3.521 1.00 0.00 C ATOM 0 H VAL A 34 -0.273 -4.137 5.716 1.00 0.00 H new ATOM 0 HA VAL A 34 2.152 -5.489 4.724 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.262 -4.402 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.865 -5.213 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.813 -3.928 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.308 -5.629 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.462 -6.813 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.980 -7.198 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.511 -6.650 4.407 1.00 0.00 H new ATOM 568 N PHE A 35 3.371 -3.369 4.587 1.00 0.00 N ATOM 569 CA PHE A 35 4.144 -2.166 4.557 1.00 0.00 C ATOM 570 C PHE A 35 4.525 -1.754 3.176 1.00 0.00 C ATOM 571 O PHE A 35 4.786 -2.574 2.297 1.00 0.00 O ATOM 572 CB PHE A 35 5.417 -2.322 5.406 1.00 0.00 C ATOM 573 CG PHE A 35 5.078 -2.403 6.855 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.949 -1.256 7.602 1.00 0.00 C ATOM 575 CD2 PHE A 35 4.837 -3.617 7.456 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.600 -1.317 8.931 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.473 -3.691 8.779 1.00 0.00 C ATOM 578 CZ PHE A 35 4.346 -2.535 9.514 1.00 0.00 C ATOM 0 H PHE A 35 3.938 -4.212 4.674 1.00 0.00 H new ATOM 0 HA PHE A 35 3.507 -1.385 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.954 -3.220 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.083 -1.477 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.124 -0.296 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.935 -4.525 6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.526 -0.411 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.288 -4.650 9.239 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.046 -2.585 10.550 1.00 0.00 H new ATOM 588 N VAL A 36 4.553 -0.431 2.940 1.00 0.00 N ATOM 589 CA VAL A 36 4.736 0.152 1.647 1.00 0.00 C ATOM 590 C VAL A 36 5.753 1.240 1.695 1.00 0.00 C ATOM 591 O VAL A 36 5.706 2.156 2.514 1.00 0.00 O ATOM 592 CB VAL A 36 3.466 0.763 1.133 1.00 0.00 C ATOM 593 CG1 VAL A 36 3.632 1.308 -0.295 1.00 0.00 C ATOM 594 CG2 VAL A 36 2.341 -0.285 1.127 1.00 0.00 C ATOM 0 H VAL A 36 4.444 0.262 3.681 1.00 0.00 H new ATOM 0 HA VAL A 36 5.059 -0.656 0.990 1.00 0.00 H new ATOM 0 HB VAL A 36 3.215 1.590 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.690 1.742 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.408 2.073 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.916 0.495 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.423 0.168 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.623 -1.118 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.178 -0.649 2.141 1.00 0.00 H new ATOM 604 N HIS A 37 6.752 1.176 0.797 1.00 0.00 N ATOM 605 CA HIS A 37 7.735 2.197 0.600 1.00 0.00 C ATOM 606 C HIS A 37 7.337 3.089 -0.526 1.00 0.00 C ATOM 607 O HIS A 37 6.598 2.696 -1.427 1.00 0.00 O ATOM 608 CB HIS A 37 9.105 1.556 0.320 1.00 0.00 C ATOM 609 CG HIS A 37 10.309 2.450 0.349 1.00 0.00 C ATOM 610 ND1 HIS A 37 11.060 2.758 -0.767 1.00 0.00 N ATOM 611 CD2 HIS A 37 10.952 2.983 1.422 1.00 0.00 C ATOM 612 CE1 HIS A 37 12.160 3.418 -0.317 1.00 0.00 C ATOM 613 NE2 HIS A 37 12.138 3.547 0.997 1.00 0.00 N ATOM 0 H HIS A 37 6.881 0.375 0.179 1.00 0.00 H new ATOM 0 HA HIS A 37 7.807 2.799 1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.259 0.761 1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.061 1.084 -0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.593 2.968 2.441 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.950 3.789 -0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.855 3.978 1.581 1.00 0.00 H new ATOM 621 N GLN A 38 7.802 4.351 -0.561 1.00 0.00 N ATOM 622 CA GLN A 38 7.355 5.344 -1.488 1.00 0.00 C ATOM 623 C GLN A 38 7.636 5.082 -2.928 1.00 0.00 C ATOM 624 O GLN A 38 6.896 5.529 -3.803 1.00 0.00 O ATOM 625 CB GLN A 38 7.870 6.737 -1.089 1.00 0.00 C ATOM 626 CG GLN A 38 9.381 6.973 -1.142 1.00 0.00 C ATOM 627 CD GLN A 38 10.142 6.441 0.063 1.00 0.00 C ATOM 628 OE1 GLN A 38 9.584 5.904 1.018 1.00 0.00 O ATOM 629 NE2 GLN A 38 11.492 6.600 0.035 1.00 0.00 N ATOM 0 H GLN A 38 8.517 4.693 0.081 1.00 0.00 H new ATOM 0 HA GLN A 38 6.269 5.298 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.392 7.471 -1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.533 6.942 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.778 6.505 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.567 8.043 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.936 7.048 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.061 6.271 0.815 1.00 0.00 H new ATOM 638 N THR A 39 8.682 4.300 -3.251 1.00 0.00 N ATOM 639 CA THR A 39 9.037 3.932 -4.587 1.00 0.00 C ATOM 640 C THR A 39 8.069 2.998 -5.230 1.00 0.00 C ATOM 641 O THR A 39 7.906 2.985 -6.449 1.00 0.00 O ATOM 642 CB THR A 39 10.400 3.312 -4.671 1.00 0.00 C ATOM 643 OG1 THR A 39 10.575 2.265 -3.727 1.00 0.00 O ATOM 644 CG2 THR A 39 11.487 4.355 -4.361 1.00 0.00 C ATOM 0 H THR A 39 9.309 3.906 -2.549 1.00 0.00 H new ATOM 0 HA THR A 39 9.023 4.879 -5.127 1.00 0.00 H new ATOM 0 HB THR A 39 10.487 2.922 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.782 2.648 -2.849 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.469 3.887 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.425 5.171 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.338 4.747 -3.355 1.00 0.00 H new ATOM 652 N ALA A 40 7.352 2.182 -4.438 1.00 0.00 N ATOM 653 CA ALA A 40 6.475 1.161 -4.920 1.00 0.00 C ATOM 654 C ALA A 40 5.134 1.678 -5.315 1.00 0.00 C ATOM 655 O ALA A 40 4.401 1.036 -6.066 1.00 0.00 O ATOM 656 CB ALA A 40 6.300 0.094 -3.827 1.00 0.00 C ATOM 0 H ALA A 40 7.385 2.236 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 40 6.933 0.741 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.632 -0.689 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.270 -0.340 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.874 0.553 -2.935 1.00 0.00 H new ATOM 662 N ILE A 41 4.775 2.873 -4.816 1.00 0.00 N ATOM 663 CA ILE A 41 3.531 3.549 -5.024 1.00 0.00 C ATOM 664 C ILE A 41 3.446 4.142 -6.387 1.00 0.00 C ATOM 665 O ILE A 41 4.208 5.032 -6.762 1.00 0.00 O ATOM 666 CB ILE A 41 3.309 4.601 -3.979 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.334 3.980 -2.573 1.00 0.00 C ATOM 668 CG2 ILE A 41 1.972 5.325 -4.213 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.240 4.994 -1.433 1.00 0.00 C ATOM 0 H ILE A 41 5.405 3.409 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 41 2.741 2.803 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 41 4.117 5.329 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.507 3.276 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.254 3.407 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.830 6.084 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.982 5.800 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.155 4.605 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.265 4.470 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.081 5.685 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.307 5.551 -1.518 1.00 0.00 H new ATOM 681 N LYS A 42 2.481 3.679 -7.203 1.00 0.00 N ATOM 682 CA LYS A 42 2.258 4.166 -8.528 1.00 0.00 C ATOM 683 C LYS A 42 1.464 5.428 -8.544 1.00 0.00 C ATOM 684 O LYS A 42 0.236 5.430 -8.601 1.00 0.00 O ATOM 685 CB LYS A 42 1.547 3.107 -9.386 1.00 0.00 C ATOM 686 CG LYS A 42 2.471 1.986 -9.869 1.00 0.00 C ATOM 687 CD LYS A 42 1.708 0.898 -10.628 1.00 0.00 C ATOM 688 CE LYS A 42 2.477 0.254 -11.783 1.00 0.00 C ATOM 689 NZ LYS A 42 2.538 1.175 -12.941 1.00 0.00 N ATOM 0 H LYS A 42 1.834 2.940 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 42 3.241 4.381 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.732 2.671 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.098 3.595 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.242 2.405 -10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.979 1.542 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.421 0.118 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.786 1.328 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.486 -0.000 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.992 -0.677 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.063 0.723 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.573 1.397 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.021 2.053 -12.661 1.00 0.00 H new ATOM 703 N LYS A 43 2.149 6.585 -8.540 1.00 0.00 N ATOM 704 CA LYS A 43 1.539 7.852 -8.801 1.00 0.00 C ATOM 705 C LYS A 43 1.450 8.058 -10.274 1.00 0.00 C ATOM 706 O LYS A 43 2.433 7.888 -10.994 1.00 0.00 O ATOM 707 CB LYS A 43 2.326 9.018 -8.177 1.00 0.00 C ATOM 708 CG LYS A 43 2.626 8.858 -6.685 1.00 0.00 C ATOM 709 CD LYS A 43 3.066 10.194 -6.083 1.00 0.00 C ATOM 710 CE LYS A 43 3.681 10.128 -4.683 1.00 0.00 C ATOM 711 NZ LYS A 43 5.105 9.730 -4.748 1.00 0.00 N ATOM 0 H LYS A 43 3.150 6.642 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 43 0.547 7.841 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.268 9.131 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.762 9.939 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.740 8.493 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.408 8.113 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.791 10.652 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.201 10.857 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.593 11.100 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.128 9.415 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.499 9.692 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.184 8.792 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.634 10.425 -5.312 1.00 0.00 H new ATOM 725 N ASN A 44 0.257 8.400 -10.795 1.00 0.00 N ATOM 726 CA ASN A 44 0.025 8.482 -12.203 1.00 0.00 C ATOM 727 C ASN A 44 -0.594 9.776 -12.605 1.00 0.00 C ATOM 728 O ASN A 44 -0.275 10.328 -13.657 1.00 0.00 O ATOM 729 CB ASN A 44 -0.904 7.352 -12.677 1.00 0.00 C ATOM 730 CG ASN A 44 -0.129 6.045 -12.772 1.00 0.00 C ATOM 731 OD1 ASN A 44 1.008 6.012 -13.239 1.00 0.00 O ATOM 732 ND2 ASN A 44 -0.766 4.912 -12.368 1.00 0.00 N ATOM 0 H ASN A 44 -0.561 8.623 -10.227 1.00 0.00 H new ATOM 0 HA ASN A 44 1.007 8.395 -12.669 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.737 7.240 -11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.329 7.603 -13.649 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.300 4.008 -12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.709 4.967 -11.984 1.00 0.00 H new ATOM 739 N ASN A 45 -1.546 10.293 -11.808 1.00 0.00 N ATOM 740 CA ASN A 45 -2.414 11.354 -12.213 1.00 0.00 C ATOM 741 C ASN A 45 -2.059 12.630 -11.527 1.00 0.00 C ATOM 742 O ASN A 45 -1.775 12.598 -10.331 1.00 0.00 O ATOM 743 CB ASN A 45 -3.870 10.983 -11.885 1.00 0.00 C ATOM 744 CG ASN A 45 -4.233 9.726 -12.662 1.00 0.00 C ATOM 745 OD1 ASN A 45 -4.291 9.723 -13.891 1.00 0.00 O ATOM 746 ND2 ASN A 45 -4.474 8.588 -11.956 1.00 0.00 N ATOM 0 H ASN A 45 -1.716 9.965 -10.857 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.300 11.498 -13.287 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.986 10.814 -10.815 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.539 11.801 -12.153 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.705 7.723 -12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.424 8.600 -10.937 1.00 0.00 H new ATOM 753 N PRO A 46 -2.039 13.782 -12.130 1.00 0.00 N ATOM 754 CA PRO A 46 -1.753 15.011 -11.448 1.00 0.00 C ATOM 755 C PRO A 46 -2.902 15.536 -10.657 1.00 0.00 C ATOM 756 O PRO A 46 -2.703 16.443 -9.850 1.00 0.00 O ATOM 757 CB PRO A 46 -1.327 15.973 -12.555 1.00 0.00 C ATOM 758 CG PRO A 46 -2.084 15.472 -13.797 1.00 0.00 C ATOM 759 CD PRO A 46 -2.075 13.951 -13.574 1.00 0.00 C ATOM 0 HA PRO A 46 -0.977 14.870 -10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.593 17.002 -12.314 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.248 15.951 -12.709 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.097 15.872 -13.848 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.583 15.753 -14.723 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.961 13.484 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.209 13.488 -14.047 1.00 0.00 H new ATOM 767 N ARG A 47 -4.138 15.058 -10.883 1.00 0.00 N ATOM 768 CA ARG A 47 -5.328 15.613 -10.316 1.00 0.00 C ATOM 769 C ARG A 47 -5.796 14.825 -9.141 1.00 0.00 C ATOM 770 O ARG A 47 -5.401 13.674 -8.953 1.00 0.00 O ATOM 771 CB ARG A 47 -6.448 15.639 -11.370 1.00 0.00 C ATOM 772 CG ARG A 47 -6.125 16.489 -12.601 1.00 0.00 C ATOM 773 CD ARG A 47 -7.259 16.530 -13.626 1.00 0.00 C ATOM 774 NE ARG A 47 -6.816 17.417 -14.740 1.00 0.00 N ATOM 775 CZ ARG A 47 -7.623 17.758 -15.786 1.00 0.00 C ATOM 776 NH1 ARG A 47 -8.948 17.435 -15.810 1.00 0.00 N ATOM 777 NH2 ARG A 47 -7.094 18.461 -16.829 1.00 0.00 N ATOM 0 H ARG A 47 -4.316 14.253 -11.484 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.092 16.625 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.655 14.618 -11.690 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.359 16.019 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.897 17.506 -12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.227 16.097 -13.079 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.479 15.529 -13.996 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.174 16.910 -13.172 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.865 17.786 -14.719 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.363 16.924 -15.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.524 17.705 -16.607 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.109 18.724 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.684 18.724 -17.619 1.00 0.00 H new ATOM 791 N LYS A 48 -6.674 15.420 -8.316 1.00 0.00 N ATOM 792 CA LYS A 48 -7.158 14.902 -7.074 1.00 0.00 C ATOM 793 C LYS A 48 -6.114 14.627 -6.048 1.00 0.00 C ATOM 794 O LYS A 48 -5.046 15.237 -6.054 1.00 0.00 O ATOM 795 CB LYS A 48 -8.172 13.756 -7.228 1.00 0.00 C ATOM 796 CG LYS A 48 -9.306 14.068 -8.207 1.00 0.00 C ATOM 797 CD LYS A 48 -10.444 13.048 -8.129 1.00 0.00 C ATOM 798 CE LYS A 48 -10.124 11.639 -8.633 1.00 0.00 C ATOM 799 NZ LYS A 48 -9.950 11.657 -10.102 1.00 0.00 N ATOM 0 H LYS A 48 -7.076 16.332 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.719 15.740 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.648 12.862 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.599 13.526 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.699 15.063 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.910 14.089 -9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.768 12.975 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.289 13.433 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.217 11.270 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.928 10.955 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.817 10.685 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.795 12.070 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.116 12.228 -10.346 1.00 0.00 H new ATOM 813 N TYR A 49 -6.414 13.725 -5.096 1.00 0.00 N ATOM 814 CA TYR A 49 -5.650 13.401 -3.933 1.00 0.00 C ATOM 815 C TYR A 49 -5.242 14.570 -3.103 1.00 0.00 C ATOM 816 O TYR A 49 -4.068 14.914 -2.976 1.00 0.00 O ATOM 817 CB TYR A 49 -4.495 12.437 -4.249 1.00 0.00 C ATOM 818 CG TYR A 49 -4.354 11.439 -3.153 1.00 0.00 C ATOM 819 CD1 TYR A 49 -5.261 10.408 -3.090 1.00 0.00 C ATOM 820 CD2 TYR A 49 -3.397 11.548 -2.171 1.00 0.00 C ATOM 821 CE1 TYR A 49 -5.241 9.518 -2.041 1.00 0.00 C ATOM 822 CE2 TYR A 49 -3.368 10.659 -1.122 1.00 0.00 C ATOM 823 CZ TYR A 49 -4.298 9.648 -1.048 1.00 0.00 C ATOM 824 OH TYR A 49 -4.280 8.704 0.000 1.00 0.00 O ATOM 0 H TYR A 49 -7.271 13.174 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.339 12.862 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.683 11.928 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.566 12.995 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.997 10.295 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.663 12.338 -2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.965 8.718 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.614 10.755 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.131 8.218 0.017 1.00 0.00 H new ATOM 834 N LEU A 50 -6.229 15.255 -2.497 1.00 0.00 N ATOM 835 CA LEU A 50 -6.032 16.495 -1.814 1.00 0.00 C ATOM 836 C LEU A 50 -5.670 16.304 -0.381 1.00 0.00 C ATOM 837 O LEU A 50 -4.954 15.371 -0.021 1.00 0.00 O ATOM 838 CB LEU A 50 -7.290 17.367 -1.977 1.00 0.00 C ATOM 839 CG LEU A 50 -7.753 17.572 -3.430 1.00 0.00 C ATOM 840 CD1 LEU A 50 -9.050 18.399 -3.462 1.00 0.00 C ATOM 841 CD2 LEU A 50 -6.674 18.246 -4.294 1.00 0.00 C ATOM 0 H LEU A 50 -7.197 14.934 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.182 17.007 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.104 16.913 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.098 18.343 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.940 16.585 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.368 18.537 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.830 17.874 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.873 19.372 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.047 18.370 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.430 19.223 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.779 17.624 -4.309 1.00 0.00 H new ATOM 853 N ARG A 51 -6.148 17.167 0.533 1.00 0.00 N ATOM 854 CA ARG A 51 -5.776 17.138 1.914 1.00 0.00 C ATOM 855 C ARG A 51 -6.440 16.032 2.660 1.00 0.00 C ATOM 856 O ARG A 51 -5.788 15.107 3.141 1.00 0.00 O ATOM 857 CB ARG A 51 -6.065 18.511 2.544 1.00 0.00 C ATOM 858 CG ARG A 51 -5.675 18.647 4.017 1.00 0.00 C ATOM 859 CD ARG A 51 -5.673 20.083 4.546 1.00 0.00 C ATOM 860 NE ARG A 51 -4.466 20.775 4.011 1.00 0.00 N ATOM 861 CZ ARG A 51 -4.105 22.058 4.302 1.00 0.00 C ATOM 862 NH1 ARG A 51 -4.904 22.917 4.998 1.00 0.00 N ATOM 863 NH2 ARG A 51 -2.888 22.525 3.895 1.00 0.00 N ATOM 0 H ARG A 51 -6.813 17.907 0.305 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.707 16.934 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.536 19.274 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.130 18.721 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.364 18.053 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.682 18.221 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.579 20.604 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.661 20.087 5.636 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.863 20.249 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.819 22.609 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.586 23.867 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.255 21.916 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.612 23.483 4.109 1.00 0.00 H new ATOM 877 N SER A 52 -7.781 16.082 2.750 1.00 0.00 N ATOM 878 CA SER A 52 -8.589 15.149 3.473 1.00 0.00 C ATOM 879 C SER A 52 -8.754 13.863 2.739 1.00 0.00 C ATOM 880 O SER A 52 -8.784 13.816 1.510 1.00 0.00 O ATOM 881 CB SER A 52 -9.984 15.714 3.790 1.00 0.00 C ATOM 882 OG SER A 52 -9.885 16.872 4.607 1.00 0.00 O ATOM 0 H SER A 52 -8.330 16.811 2.295 1.00 0.00 H new ATOM 0 HA SER A 52 -8.056 14.965 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.501 15.961 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.582 14.956 4.296 1.00 0.00 H new ATOM 0 HG SER A 52 -10.783 17.217 4.796 1.00 0.00 H new ATOM 888 N VAL A 53 -8.832 12.735 3.467 1.00 0.00 N ATOM 889 CA VAL A 53 -8.833 11.418 2.909 1.00 0.00 C ATOM 890 C VAL A 53 -10.174 10.770 2.958 1.00 0.00 C ATOM 891 O VAL A 53 -11.038 11.102 3.768 1.00 0.00 O ATOM 892 CB VAL A 53 -7.813 10.508 3.527 1.00 0.00 C ATOM 893 CG1 VAL A 53 -6.410 11.099 3.311 1.00 0.00 C ATOM 894 CG2 VAL A 53 -8.074 10.290 5.027 1.00 0.00 C ATOM 0 H VAL A 53 -8.897 12.740 4.485 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.559 11.569 1.865 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.885 9.534 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.665 10.441 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.216 11.194 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.353 12.082 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.313 9.625 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.036 11.248 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.058 9.842 5.164 1.00 0.00 H new ATOM 904 N GLY A 54 -10.403 9.771 2.086 1.00 0.00 N ATOM 905 CA GLY A 54 -11.579 8.958 2.115 1.00 0.00 C ATOM 906 C GLY A 54 -11.406 7.849 3.095 1.00 0.00 C ATOM 907 O GLY A 54 -10.312 7.308 3.248 1.00 0.00 O ATOM 0 H GLY A 54 -9.752 9.522 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.443 9.564 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.775 8.551 1.123 1.00 0.00 H new ATOM 911 N ASP A 55 -12.476 7.462 3.813 1.00 0.00 N ATOM 912 CA ASP A 55 -12.384 6.435 4.804 1.00 0.00 C ATOM 913 C ASP A 55 -12.329 5.067 4.219 1.00 0.00 C ATOM 914 O ASP A 55 -13.225 4.598 3.518 1.00 0.00 O ATOM 915 CB ASP A 55 -13.420 6.621 5.926 1.00 0.00 C ATOM 916 CG ASP A 55 -14.866 6.488 5.471 1.00 0.00 C ATOM 917 OD1 ASP A 55 -15.373 7.345 4.699 1.00 0.00 O ATOM 918 OD2 ASP A 55 -15.558 5.537 5.923 1.00 0.00 O ATOM 0 H ASP A 55 -13.408 7.862 3.706 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.417 6.545 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.228 5.886 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.281 7.605 6.373 1.00 0.00 H new ATOM 923 N GLY A 56 -11.204 4.371 4.463 1.00 0.00 N ATOM 924 CA GLY A 56 -10.926 3.063 3.958 1.00 0.00 C ATOM 925 C GLY A 56 -10.767 2.934 2.481 1.00 0.00 C ATOM 926 O GLY A 56 -11.427 2.099 1.867 1.00 0.00 O ATOM 0 H GLY A 56 -10.450 4.740 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.012 2.703 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.731 2.399 4.273 1.00 0.00 H new ATOM 930 N GLU A 57 -9.862 3.703 1.849 1.00 0.00 N ATOM 931 CA GLU A 57 -9.675 3.626 0.434 1.00 0.00 C ATOM 932 C GLU A 57 -8.970 2.385 0.005 1.00 0.00 C ATOM 933 O GLU A 57 -8.203 1.786 0.759 1.00 0.00 O ATOM 934 CB GLU A 57 -9.039 4.897 -0.155 1.00 0.00 C ATOM 935 CG GLU A 57 -7.515 4.997 -0.070 1.00 0.00 C ATOM 936 CD GLU A 57 -6.989 6.230 -0.792 1.00 0.00 C ATOM 937 OE1 GLU A 57 -7.046 6.261 -2.051 1.00 0.00 O ATOM 938 OE2 GLU A 57 -6.513 7.180 -0.115 1.00 0.00 O ATOM 0 H GLU A 57 -9.259 4.379 2.319 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.677 3.563 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.328 4.969 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.467 5.761 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.211 5.031 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.067 4.103 -0.504 1.00 0.00 H new ATOM 945 N THR A 58 -9.252 1.906 -1.219 1.00 0.00 N ATOM 946 CA THR A 58 -8.773 0.645 -1.696 1.00 0.00 C ATOM 947 C THR A 58 -7.583 0.826 -2.574 1.00 0.00 C ATOM 948 O THR A 58 -7.488 1.790 -3.333 1.00 0.00 O ATOM 949 CB THR A 58 -9.753 -0.168 -2.488 1.00 0.00 C ATOM 950 OG1 THR A 58 -11.078 -0.020 -1.998 1.00 0.00 O ATOM 951 CG2 THR A 58 -9.458 -1.676 -2.411 1.00 0.00 C ATOM 0 H THR A 58 -9.828 2.408 -1.895 1.00 0.00 H new ATOM 0 HA THR A 58 -8.551 0.104 -0.776 1.00 0.00 H new ATOM 0 HB THR A 58 -9.656 0.201 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.689 -0.562 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.195 -2.221 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.461 -1.872 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.509 -2.004 -1.373 1.00 0.00 H new ATOM 959 N VAL A 59 -6.642 -0.131 -2.507 1.00 0.00 N ATOM 960 CA VAL A 59 -5.448 -0.189 -3.293 1.00 0.00 C ATOM 961 C VAL A 59 -5.181 -1.617 -3.621 1.00 0.00 C ATOM 962 O VAL A 59 -5.731 -2.522 -2.995 1.00 0.00 O ATOM 963 CB VAL A 59 -4.245 0.411 -2.627 1.00 0.00 C ATOM 964 CG1 VAL A 59 -4.364 1.945 -2.599 1.00 0.00 C ATOM 965 CG2 VAL A 59 -4.073 -0.128 -1.197 1.00 0.00 C ATOM 0 H VAL A 59 -6.720 -0.916 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.618 0.411 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.365 0.128 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.485 2.369 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.433 2.323 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.258 2.231 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.193 0.325 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.956 0.118 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.948 -1.210 -1.229 1.00 0.00 H new ATOM 975 N GLU A 60 -4.322 -1.875 -4.625 1.00 0.00 N ATOM 976 CA GLU A 60 -3.785 -3.162 -4.941 1.00 0.00 C ATOM 977 C GLU A 60 -2.317 -3.189 -4.692 1.00 0.00 C ATOM 978 O GLU A 60 -1.662 -2.148 -4.727 1.00 0.00 O ATOM 979 CB GLU A 60 -3.979 -3.584 -6.407 1.00 0.00 C ATOM 980 CG GLU A 60 -3.441 -2.615 -7.463 1.00 0.00 C ATOM 981 CD GLU A 60 -4.001 -2.854 -8.858 1.00 0.00 C ATOM 982 OE1 GLU A 60 -5.209 -2.565 -9.071 1.00 0.00 O ATOM 983 OE2 GLU A 60 -3.213 -3.270 -9.749 1.00 0.00 O ATOM 0 H GLU A 60 -3.984 -1.143 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.334 -3.851 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.498 -4.551 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.045 -3.728 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.673 -1.595 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.355 -2.698 -7.499 1.00 0.00 H new ATOM 990 N PHE A 61 -1.774 -4.388 -4.409 1.00 0.00 N ATOM 991 CA PHE A 61 -0.394 -4.575 -4.083 1.00 0.00 C ATOM 992 C PHE A 61 -0.021 -6.014 -4.184 1.00 0.00 C ATOM 993 O PHE A 61 -0.863 -6.895 -4.351 1.00 0.00 O ATOM 994 CB PHE A 61 -0.035 -4.035 -2.689 1.00 0.00 C ATOM 995 CG PHE A 61 -1.057 -4.383 -1.662 1.00 0.00 C ATOM 996 CD1 PHE A 61 -1.043 -5.602 -1.025 1.00 0.00 C ATOM 997 CD2 PHE A 61 -2.075 -3.499 -1.388 1.00 0.00 C ATOM 998 CE1 PHE A 61 -2.053 -5.948 -0.158 1.00 0.00 C ATOM 999 CE2 PHE A 61 -3.109 -3.855 -0.553 1.00 0.00 C ATOM 1000 CZ PHE A 61 -3.093 -5.079 0.075 1.00 0.00 C ATOM 0 H PHE A 61 -2.313 -5.254 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 61 0.178 -3.999 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.932 -4.436 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.071 -2.951 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.233 -6.293 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.062 -2.515 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.029 -6.905 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.932 -3.175 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.892 -5.356 0.747 1.00 0.00 H new ATOM 1010 N ASP A 62 1.271 -6.366 -4.054 1.00 0.00 N ATOM 1011 CA ASP A 62 1.702 -7.699 -3.766 1.00 0.00 C ATOM 1012 C ASP A 62 1.837 -7.848 -2.289 1.00 0.00 C ATOM 1013 O ASP A 62 2.073 -6.856 -1.599 1.00 0.00 O ATOM 1014 CB ASP A 62 3.054 -7.979 -4.444 1.00 0.00 C ATOM 1015 CG ASP A 62 3.013 -7.964 -5.965 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.921 -7.856 -6.586 1.00 0.00 O ATOM 1017 OD2 ASP A 62 4.119 -8.116 -6.550 1.00 0.00 O ATOM 0 H ASP A 62 2.039 -5.703 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 62 0.970 -8.411 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.776 -7.236 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.418 -8.952 -4.113 1.00 0.00 H new ATOM 1022 N VAL A 63 1.688 -9.046 -1.698 1.00 0.00 N ATOM 1023 CA VAL A 63 1.936 -9.259 -0.305 1.00 0.00 C ATOM 1024 C VAL A 63 3.140 -10.130 -0.191 1.00 0.00 C ATOM 1025 O VAL A 63 3.060 -11.343 -0.382 1.00 0.00 O ATOM 1026 CB VAL A 63 0.817 -9.951 0.416 1.00 0.00 C ATOM 1027 CG1 VAL A 63 1.111 -10.047 1.922 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.502 -9.174 0.271 1.00 0.00 C ATOM 0 H VAL A 63 1.389 -9.884 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 63 2.058 -8.277 0.151 1.00 0.00 H new ATOM 0 HB VAL A 63 0.730 -10.943 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.285 -10.553 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.030 -10.612 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.227 -9.045 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.294 -9.700 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.384 -8.175 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.764 -9.096 -0.784 1.00 0.00 H new ATOM 1038 N VAL A 64 4.325 -9.563 0.100 1.00 0.00 N ATOM 1039 CA VAL A 64 5.542 -10.302 -0.024 1.00 0.00 C ATOM 1040 C VAL A 64 6.348 -10.087 1.210 1.00 0.00 C ATOM 1041 O VAL A 64 6.521 -8.959 1.673 1.00 0.00 O ATOM 1042 CB VAL A 64 6.250 -9.955 -1.301 1.00 0.00 C ATOM 1043 CG1 VAL A 64 5.627 -10.761 -2.454 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.124 -8.457 -1.626 1.00 0.00 C ATOM 0 H VAL A 64 4.440 -8.601 0.419 1.00 0.00 H new ATOM 0 HA VAL A 64 5.349 -11.372 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 64 7.306 -10.196 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.136 -10.515 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.734 -11.827 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.569 -10.513 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.648 -8.241 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.071 -8.195 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.563 -7.871 -0.818 1.00 0.00 H new ATOM 1054 N GLU A 65 6.826 -11.148 1.886 1.00 0.00 N ATOM 1055 CA GLU A 65 7.307 -11.052 3.229 1.00 0.00 C ATOM 1056 C GLU A 65 8.785 -10.893 3.344 1.00 0.00 C ATOM 1057 O GLU A 65 9.559 -11.353 2.507 1.00 0.00 O ATOM 1058 CB GLU A 65 6.796 -12.220 4.090 1.00 0.00 C ATOM 1059 CG GLU A 65 6.694 -11.916 5.586 1.00 0.00 C ATOM 1060 CD GLU A 65 6.162 -13.081 6.408 1.00 0.00 C ATOM 1061 OE1 GLU A 65 4.948 -13.406 6.310 1.00 0.00 O ATOM 1062 OE2 GLU A 65 6.946 -13.675 7.196 1.00 0.00 O ATOM 0 H GLU A 65 6.879 -12.088 1.493 1.00 0.00 H new ATOM 0 HA GLU A 65 6.891 -10.123 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.813 -12.519 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.460 -13.073 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.679 -11.638 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.043 -11.053 5.730 1.00 0.00 H new ATOM 1069 N GLY A 66 9.240 -10.219 4.415 1.00 0.00 N ATOM 1070 CA GLY A 66 10.628 -10.075 4.735 1.00 0.00 C ATOM 1071 C GLY A 66 10.839 -9.931 6.202 1.00 0.00 C ATOM 1072 O GLY A 66 11.405 -10.810 6.852 1.00 0.00 O ATOM 0 H GLY A 66 8.621 -9.758 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.178 -10.943 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.032 -9.203 4.221 1.00 0.00 H new ATOM 1076 N GLU A 67 10.402 -8.797 6.777 1.00 0.00 N ATOM 1077 CA GLU A 67 10.516 -8.475 8.166 1.00 0.00 C ATOM 1078 C GLU A 67 9.512 -9.147 9.040 1.00 0.00 C ATOM 1079 O GLU A 67 9.125 -10.292 8.808 1.00 0.00 O ATOM 1080 CB GLU A 67 10.487 -6.943 8.298 1.00 0.00 C ATOM 1081 CG GLU A 67 9.178 -6.266 7.888 1.00 0.00 C ATOM 1082 CD GLU A 67 9.423 -4.825 7.463 1.00 0.00 C ATOM 1083 OE1 GLU A 67 9.895 -4.018 8.308 1.00 0.00 O ATOM 1084 OE2 GLU A 67 9.174 -4.475 6.278 1.00 0.00 O ATOM 0 H GLU A 67 9.942 -8.062 6.240 1.00 0.00 H new ATOM 0 HA GLU A 67 11.464 -8.868 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.700 -6.682 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.294 -6.529 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.719 -6.818 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.475 -6.290 8.721 1.00 0.00 H new ATOM 1091 N LYS A 68 9.039 -8.485 10.110 1.00 0.00 N ATOM 1092 CA LYS A 68 8.088 -8.982 11.057 1.00 0.00 C ATOM 1093 C LYS A 68 6.738 -9.296 10.509 1.00 0.00 C ATOM 1094 O LYS A 68 5.962 -10.044 11.102 1.00 0.00 O ATOM 1095 CB LYS A 68 7.964 -7.979 12.214 1.00 0.00 C ATOM 1096 CG LYS A 68 7.425 -6.594 11.850 1.00 0.00 C ATOM 1097 CD LYS A 68 7.376 -5.662 13.062 1.00 0.00 C ATOM 1098 CE LYS A 68 6.894 -4.243 12.754 1.00 0.00 C ATOM 1099 NZ LYS A 68 6.910 -3.393 13.966 1.00 0.00 N ATOM 0 H LYS A 68 9.342 -7.536 10.329 1.00 0.00 H new ATOM 0 HA LYS A 68 8.480 -9.942 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.314 -8.411 12.974 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.947 -7.856 12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.054 -6.152 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.425 -6.693 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.720 -6.100 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.372 -5.606 13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.530 -3.799 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.883 -4.280 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.578 -2.438 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.284 -3.805 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.879 -3.339 14.339 1.00 0.00 H new ATOM 1113 N GLY A 69 6.407 -8.671 9.365 1.00 0.00 N ATOM 1114 CA GLY A 69 5.222 -8.861 8.586 1.00 0.00 C ATOM 1115 C GLY A 69 5.563 -8.646 7.152 1.00 0.00 C ATOM 1116 O GLY A 69 6.736 -8.608 6.783 1.00 0.00 O ATOM 0 H GLY A 69 7.023 -7.972 8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.827 -9.866 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.446 -8.163 8.900 1.00 0.00 H new ATOM 1120 N ALA A 70 4.547 -8.526 6.278 1.00 0.00 N ATOM 1121 CA ALA A 70 4.768 -8.403 4.871 1.00 0.00 C ATOM 1122 C ALA A 70 4.894 -7.014 4.346 1.00 0.00 C ATOM 1123 O ALA A 70 4.512 -6.019 4.960 1.00 0.00 O ATOM 1124 CB ALA A 70 3.659 -9.141 4.102 1.00 0.00 C ATOM 0 H ALA A 70 3.564 -8.514 6.550 1.00 0.00 H new ATOM 0 HA ALA A 70 5.746 -8.856 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.833 -9.044 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.666 -10.196 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.691 -8.707 4.353 1.00 0.00 H new ATOM 1130 N GLU A 71 5.477 -6.898 3.140 1.00 0.00 N ATOM 1131 CA GLU A 71 5.586 -5.671 2.413 1.00 0.00 C ATOM 1132 C GLU A 71 4.918 -5.786 1.086 1.00 0.00 C ATOM 1133 O GLU A 71 4.203 -6.746 0.804 1.00 0.00 O ATOM 1134 CB GLU A 71 7.058 -5.255 2.263 1.00 0.00 C ATOM 1135 CG GLU A 71 7.975 -6.173 1.453 1.00 0.00 C ATOM 1136 CD GLU A 71 9.372 -5.585 1.316 1.00 0.00 C ATOM 1137 OE1 GLU A 71 10.119 -5.592 2.331 1.00 0.00 O ATOM 1138 OE2 GLU A 71 9.725 -5.132 0.194 1.00 0.00 O ATOM 0 H GLU A 71 5.890 -7.692 2.651 1.00 0.00 H new ATOM 0 HA GLU A 71 5.077 -4.890 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.083 -4.266 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.482 -5.154 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.035 -7.148 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.548 -6.334 0.463 1.00 0.00 H new ATOM 1145 N ALA A 72 5.146 -4.805 0.194 1.00 0.00 N ATOM 1146 CA ALA A 72 4.365 -4.649 -0.994 1.00 0.00 C ATOM 1147 C ALA A 72 5.185 -4.182 -2.148 1.00 0.00 C ATOM 1148 O ALA A 72 6.237 -3.561 -2.011 1.00 0.00 O ATOM 1149 CB ALA A 72 3.249 -3.620 -0.744 1.00 0.00 C ATOM 0 H ALA A 72 5.884 -4.109 0.299 1.00 0.00 H new ATOM 0 HA ALA A 72 3.950 -5.627 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.654 -3.501 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.609 -3.967 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.692 -2.662 -0.473 1.00 0.00 H new ATOM 1155 N ALA A 73 4.685 -4.494 -3.357 1.00 0.00 N ATOM 1156 CA ALA A 73 5.204 -4.086 -4.625 1.00 0.00 C ATOM 1157 C ALA A 73 4.033 -3.671 -5.449 1.00 0.00 C ATOM 1158 O ALA A 73 2.902 -3.965 -5.065 1.00 0.00 O ATOM 1159 CB ALA A 73 5.942 -5.253 -5.302 1.00 0.00 C ATOM 0 H ALA A 73 3.853 -5.077 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 73 5.917 -3.269 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.331 -4.927 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.767 -5.578 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.251 -6.083 -5.452 1.00 0.00 H new ATOM 1165 N ASN A 74 4.253 -2.978 -6.581 1.00 0.00 N ATOM 1166 CA ASN A 74 3.282 -2.462 -7.494 1.00 0.00 C ATOM 1167 C ASN A 74 1.989 -1.976 -6.934 1.00 0.00 C ATOM 1168 O ASN A 74 0.916 -2.515 -7.198 1.00 0.00 O ATOM 1169 CB ASN A 74 3.119 -3.320 -8.760 1.00 0.00 C ATOM 1170 CG ASN A 74 3.028 -4.818 -8.500 1.00 0.00 C ATOM 1171 OD1 ASN A 74 3.843 -5.593 -8.997 1.00 0.00 O ATOM 1172 ND2 ASN A 74 1.996 -5.240 -7.720 1.00 0.00 N ATOM 0 H ASN A 74 5.203 -2.760 -6.883 1.00 0.00 H new ATOM 0 HA ASN A 74 3.747 -1.524 -7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.220 -3.000 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.962 -3.130 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.876 -6.234 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.343 -4.562 -7.328 1.00 0.00 H new ATOM 1179 N VAL A 75 2.062 -0.923 -6.101 1.00 0.00 N ATOM 1180 CA VAL A 75 0.990 -0.446 -5.282 1.00 0.00 C ATOM 1181 C VAL A 75 0.210 0.611 -5.985 1.00 0.00 C ATOM 1182 O VAL A 75 0.600 1.777 -6.022 1.00 0.00 O ATOM 1183 CB VAL A 75 1.473 0.055 -3.953 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.272 0.288 -3.022 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.434 -0.969 -3.327 1.00 0.00 C ATOM 0 H VAL A 75 2.915 -0.375 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 75 0.334 -1.296 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 75 2.004 0.997 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.625 0.652 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.395 1.027 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.267 -0.649 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.781 -0.600 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.915 -1.917 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.288 -1.117 -3.988 1.00 0.00 H new ATOM 1195 N THR A 76 -0.928 0.229 -6.593 1.00 0.00 N ATOM 1196 CA THR A 76 -1.739 1.080 -7.407 1.00 0.00 C ATOM 1197 C THR A 76 -3.035 1.372 -6.732 1.00 0.00 C ATOM 1198 O THR A 76 -3.534 0.591 -5.923 1.00 0.00 O ATOM 1199 CB THR A 76 -2.068 0.526 -8.761 1.00 0.00 C ATOM 1200 OG1 THR A 76 -1.045 -0.322 -9.264 1.00 0.00 O ATOM 1201 CG2 THR A 76 -2.191 1.665 -9.789 1.00 0.00 C ATOM 0 H THR A 76 -1.299 -0.718 -6.513 1.00 0.00 H new ATOM 0 HA THR A 76 -1.132 1.974 -7.546 1.00 0.00 H new ATOM 0 HB THR A 76 -2.998 -0.028 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.305 -0.660 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.430 1.248 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.983 2.348 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.247 2.207 -9.846 1.00 0.00 H new ATOM 1209 N GLY A 77 -3.671 2.502 -7.089 1.00 0.00 N ATOM 1210 CA GLY A 77 -5.015 2.808 -6.710 1.00 0.00 C ATOM 1211 C GLY A 77 -5.752 3.354 -7.885 1.00 0.00 C ATOM 1212 O GLY A 77 -5.123 3.883 -8.800 1.00 0.00 O ATOM 0 H GLY A 77 -3.235 3.226 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.513 1.912 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.018 3.533 -5.896 1.00 0.00 H new ATOM 1216 N PRO A 78 -7.047 3.259 -7.951 1.00 0.00 N ATOM 1217 CA PRO A 78 -7.835 3.925 -8.947 1.00 0.00 C ATOM 1218 C PRO A 78 -8.054 5.359 -8.608 1.00 0.00 C ATOM 1219 O PRO A 78 -7.627 5.825 -7.552 1.00 0.00 O ATOM 1220 CB PRO A 78 -9.152 3.153 -8.890 1.00 0.00 C ATOM 1221 CG PRO A 78 -9.317 2.822 -7.398 1.00 0.00 C ATOM 1222 CD PRO A 78 -7.864 2.572 -6.963 1.00 0.00 C ATOM 0 HA PRO A 78 -7.364 3.932 -9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.983 3.752 -9.261 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.113 2.250 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.772 3.644 -6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.946 1.946 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.680 2.960 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.638 1.506 -6.938 1.00 0.00 H new ATOM 1230 N GLY A 79 -8.755 6.116 -9.471 1.00 0.00 N ATOM 1231 CA GLY A 79 -9.153 7.450 -9.140 1.00 0.00 C ATOM 1232 C GLY A 79 -9.778 8.147 -10.339 1.00 0.00 C ATOM 1233 O GLY A 79 -9.216 9.175 -10.802 1.00 0.00 O ATOM 1234 OXT GLY A 79 -10.852 7.717 -10.840 1.00 0.00 O ATOM 0 H GLY A 79 -9.046 5.805 -10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.866 7.426 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.288 8.017 -8.796 1.00 0.00 H new TER 1238 GLY A 79