USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 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+ -152:sc= -0.0107 (180deg=-0.84) USER MOD Set 1.2: A 66 THR OG1 : rot 150:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -129:sc= -0.37 (180deg=-1.31) USER MOD Set 2.2: A 67 ASN : amide:sc= 0 X(o=-0.37,f=-0.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.117 (180deg=-0.117) USER MOD Single : A 7 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.047) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc=-0.00902 (180deg=-0.0811) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -168:sc= 0.846 USER MOD Single : A 23 SER OG : rot 180:sc= -0.321 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -34:sc= 0.482 USER MOD Single : A 34 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.3!) USER MOD Single : A 37 THR OG1 : rot -150:sc= -1.63 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.026) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 49 SER OG : rot -67:sc= 0.192 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0.198 (180deg=0.194) USER MOD Single : A 54 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.822 USER MOD Single : A 63 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.045) USER MOD Single : A 65 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 114:sc= 0.00738 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.804 5.852 6.044 1.00 0.71 N ATOM 2 CA MET A 1 9.809 4.779 5.758 1.00 0.55 C ATOM 3 C MET A 1 8.462 5.138 6.399 1.00 0.48 C ATOM 4 O MET A 1 8.402 5.573 7.537 1.00 0.63 O ATOM 5 CB MET A 1 10.312 3.448 6.328 1.00 0.80 C ATOM 6 CG MET A 1 10.323 2.388 5.224 1.00 0.97 C ATOM 7 SD MET A 1 11.567 1.130 5.605 1.00 1.16 S ATOM 8 CE MET A 1 11.968 0.679 3.897 1.00 1.48 C ATOM 0 H1 MET A 1 11.715 5.605 5.608 1.00 0.71 H new ATOM 0 H2 MET A 1 10.465 6.753 5.651 1.00 0.71 H new ATOM 0 H3 MET A 1 10.926 5.947 7.072 1.00 0.71 H new ATOM 0 HA MET A 1 9.680 4.685 4.680 1.00 0.55 H new ATOM 0 HB2 MET A 1 11.315 3.572 6.737 1.00 0.80 H new ATOM 0 HB3 MET A 1 9.670 3.126 7.148 1.00 0.80 H new ATOM 0 HG2 MET A 1 9.339 1.927 5.138 1.00 0.97 H new ATOM 0 HG3 MET A 1 10.542 2.852 4.262 1.00 0.97 H new ATOM 0 HE1 MET A 1 12.731 -0.099 3.896 1.00 1.48 H new ATOM 0 HE2 MET A 1 11.072 0.309 3.398 1.00 1.48 H new ATOM 0 HE3 MET A 1 12.342 1.555 3.368 1.00 1.48 H new ATOM 18 N ILE A 2 7.384 4.959 5.673 1.00 0.34 N ATOM 19 CA ILE A 2 6.030 5.285 6.224 1.00 0.31 C ATOM 20 C ILE A 2 5.175 4.012 6.286 1.00 0.29 C ATOM 21 O ILE A 2 5.472 3.021 5.643 1.00 0.35 O ATOM 22 CB ILE A 2 5.340 6.329 5.331 1.00 0.31 C ATOM 23 CG1 ILE A 2 5.222 5.799 3.896 1.00 0.31 C ATOM 24 CG2 ILE A 2 6.159 7.623 5.326 1.00 0.38 C ATOM 25 CD1 ILE A 2 4.168 6.605 3.134 1.00 0.43 C ATOM 0 H ILE A 2 7.384 4.600 4.718 1.00 0.34 H new ATOM 0 HA ILE A 2 6.143 5.692 7.229 1.00 0.31 H new ATOM 0 HB ILE A 2 4.343 6.526 5.724 1.00 0.31 H new ATOM 0 HG12 ILE A 2 6.185 5.872 3.391 1.00 0.31 H new ATOM 0 HG13 ILE A 2 4.948 4.744 3.909 1.00 0.31 H new ATOM 0 HG21 ILE A 2 5.668 8.362 4.692 1.00 0.38 H new ATOM 0 HG22 ILE A 2 6.235 8.010 6.342 1.00 0.38 H new ATOM 0 HG23 ILE A 2 7.158 7.420 4.940 1.00 0.38 H new ATOM 0 HD11 ILE A 2 4.087 6.226 2.115 1.00 0.43 H new ATOM 0 HD12 ILE A 2 3.205 6.509 3.635 1.00 0.43 H new ATOM 0 HD13 ILE A 2 4.461 7.655 3.108 1.00 0.43 H new ATOM 37 N GLU A 3 4.115 4.039 7.058 1.00 0.30 N ATOM 38 CA GLU A 3 3.230 2.842 7.175 1.00 0.30 C ATOM 39 C GLU A 3 1.859 3.168 6.576 1.00 0.27 C ATOM 40 O GLU A 3 1.073 3.894 7.157 1.00 0.36 O ATOM 41 CB GLU A 3 3.079 2.463 8.653 1.00 0.37 C ATOM 42 CG GLU A 3 3.070 0.936 8.798 1.00 0.41 C ATOM 43 CD GLU A 3 1.740 0.370 8.284 1.00 0.43 C ATOM 44 OE1 GLU A 3 0.749 0.499 8.986 1.00 0.69 O ATOM 45 OE2 GLU A 3 1.737 -0.184 7.197 1.00 0.60 O ATOM 0 H GLU A 3 3.825 4.844 7.614 1.00 0.30 H new ATOM 0 HA GLU A 3 3.669 2.003 6.635 1.00 0.30 H new ATOM 0 HB2 GLU A 3 3.898 2.888 9.233 1.00 0.37 H new ATOM 0 HB3 GLU A 3 2.155 2.881 9.053 1.00 0.37 H new ATOM 0 HG2 GLU A 3 3.900 0.504 8.238 1.00 0.41 H new ATOM 0 HG3 GLU A 3 3.213 0.660 9.843 1.00 0.41 H new ATOM 52 N VAL A 4 1.573 2.635 5.414 1.00 0.26 N ATOM 53 CA VAL A 4 0.254 2.904 4.755 1.00 0.25 C ATOM 54 C VAL A 4 -0.606 1.635 4.781 1.00 0.26 C ATOM 55 O VAL A 4 -0.119 0.548 5.042 1.00 0.34 O ATOM 56 CB VAL A 4 0.480 3.345 3.302 1.00 0.28 C ATOM 57 CG1 VAL A 4 1.355 4.600 3.274 1.00 0.32 C ATOM 58 CG2 VAL A 4 1.176 2.227 2.519 1.00 0.37 C ATOM 0 H VAL A 4 2.198 2.022 4.890 1.00 0.26 H new ATOM 0 HA VAL A 4 -0.261 3.698 5.296 1.00 0.25 H new ATOM 0 HB VAL A 4 -0.485 3.561 2.844 1.00 0.28 H new ATOM 0 HG11 VAL A 4 1.513 4.910 2.241 1.00 0.32 H new ATOM 0 HG12 VAL A 4 0.859 5.402 3.822 1.00 0.32 H new ATOM 0 HG13 VAL A 4 2.317 4.384 3.739 1.00 0.32 H new ATOM 0 HG21 VAL A 4 1.333 2.547 1.489 1.00 0.37 H new ATOM 0 HG22 VAL A 4 2.138 2.004 2.980 1.00 0.37 H new ATOM 0 HG23 VAL A 4 0.553 1.333 2.530 1.00 0.37 H new ATOM 68 N VAL A 5 -1.885 1.764 4.511 1.00 0.27 N ATOM 69 CA VAL A 5 -2.781 0.566 4.520 1.00 0.31 C ATOM 70 C VAL A 5 -3.533 0.467 3.186 1.00 0.29 C ATOM 71 O VAL A 5 -3.856 1.465 2.566 1.00 0.44 O ATOM 72 CB VAL A 5 -3.783 0.667 5.679 1.00 0.39 C ATOM 73 CG1 VAL A 5 -3.047 0.458 7.007 1.00 0.54 C ATOM 74 CG2 VAL A 5 -4.453 2.048 5.679 1.00 0.44 C ATOM 0 H VAL A 5 -2.345 2.646 4.285 1.00 0.27 H new ATOM 0 HA VAL A 5 -2.174 -0.329 4.654 1.00 0.31 H new ATOM 0 HB VAL A 5 -4.548 -0.100 5.556 1.00 0.39 H new ATOM 0 HG11 VAL A 5 -3.757 0.529 7.831 1.00 0.54 H new ATOM 0 HG12 VAL A 5 -2.581 -0.527 7.014 1.00 0.54 H new ATOM 0 HG13 VAL A 5 -2.279 1.223 7.122 1.00 0.54 H new ATOM 0 HG21 VAL A 5 -5.162 2.109 6.505 1.00 0.44 H new ATOM 0 HG22 VAL A 5 -3.693 2.821 5.795 1.00 0.44 H new ATOM 0 HG23 VAL A 5 -4.981 2.196 4.737 1.00 0.44 H new ATOM 84 N VAL A 6 -3.805 -0.738 2.741 1.00 0.28 N ATOM 85 CA VAL A 6 -4.530 -0.929 1.445 1.00 0.31 C ATOM 86 C VAL A 6 -5.794 -1.767 1.671 1.00 0.35 C ATOM 87 O VAL A 6 -5.783 -2.740 2.406 1.00 0.49 O ATOM 88 CB VAL A 6 -3.622 -1.641 0.428 1.00 0.37 C ATOM 89 CG1 VAL A 6 -2.753 -0.609 -0.289 1.00 0.82 C ATOM 90 CG2 VAL A 6 -2.721 -2.661 1.138 1.00 0.89 C ATOM 0 H VAL A 6 -3.554 -1.601 3.223 1.00 0.28 H new ATOM 0 HA VAL A 6 -4.808 0.050 1.054 1.00 0.31 H new ATOM 0 HB VAL A 6 -4.247 -2.165 -0.295 1.00 0.37 H new ATOM 0 HG11 VAL A 6 -2.109 -1.113 -1.010 1.00 0.82 H new ATOM 0 HG12 VAL A 6 -3.391 0.105 -0.810 1.00 0.82 H new ATOM 0 HG13 VAL A 6 -2.138 -0.082 0.440 1.00 0.82 H new ATOM 0 HG21 VAL A 6 -2.084 -3.157 0.405 1.00 0.89 H new ATOM 0 HG22 VAL A 6 -2.099 -2.148 1.871 1.00 0.89 H new ATOM 0 HG23 VAL A 6 -3.339 -3.404 1.643 1.00 0.89 H new ATOM 100 N ASN A 7 -6.881 -1.395 1.036 1.00 0.37 N ATOM 101 CA ASN A 7 -8.159 -2.158 1.193 1.00 0.41 C ATOM 102 C ASN A 7 -8.686 -2.568 -0.191 1.00 0.36 C ATOM 103 O ASN A 7 -8.640 -1.797 -1.134 1.00 0.39 O ATOM 104 CB ASN A 7 -9.201 -1.291 1.918 1.00 0.52 C ATOM 105 CG ASN A 7 -9.309 0.085 1.246 1.00 0.61 C ATOM 106 OD1 ASN A 7 -10.081 0.265 0.324 1.00 0.84 O ATOM 107 ND2 ASN A 7 -8.565 1.070 1.675 1.00 0.70 N ATOM 0 H ASN A 7 -6.937 -0.590 0.412 1.00 0.37 H new ATOM 0 HA ASN A 7 -7.974 -3.054 1.786 1.00 0.41 H new ATOM 0 HB2 ASN A 7 -10.171 -1.788 1.903 1.00 0.52 H new ATOM 0 HB3 ASN A 7 -8.920 -1.171 2.964 1.00 0.52 H new ATOM 0 HD21 ASN A 7 -8.632 1.988 1.236 1.00 0.70 H new ATOM 0 HD22 ASN A 7 -7.917 0.920 2.448 1.00 0.70 H new ATOM 114 N ASP A 8 -9.176 -3.781 -0.318 1.00 0.35 N ATOM 115 CA ASP A 8 -9.696 -4.251 -1.639 1.00 0.34 C ATOM 116 C ASP A 8 -11.095 -3.670 -1.890 1.00 0.39 C ATOM 117 O ASP A 8 -11.240 -2.692 -2.600 1.00 0.49 O ATOM 118 CB ASP A 8 -9.753 -5.785 -1.656 1.00 0.35 C ATOM 119 CG ASP A 8 -8.400 -6.347 -2.107 1.00 0.42 C ATOM 120 OD1 ASP A 8 -7.528 -6.493 -1.264 1.00 0.54 O ATOM 121 OD2 ASP A 8 -8.257 -6.623 -3.287 1.00 0.56 O ATOM 0 H ASP A 8 -9.237 -4.464 0.438 1.00 0.35 H new ATOM 0 HA ASP A 8 -9.027 -3.909 -2.429 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -10.001 -6.160 -0.663 1.00 0.35 H new ATOM 0 HB3 ASP A 8 -10.541 -6.122 -2.330 1.00 0.35 H new ATOM 126 N ARG A 9 -12.123 -4.264 -1.315 1.00 0.45 N ATOM 127 CA ARG A 9 -13.512 -3.743 -1.524 1.00 0.55 C ATOM 128 C ARG A 9 -14.510 -4.546 -0.680 1.00 0.60 C ATOM 129 O ARG A 9 -15.255 -3.983 0.102 1.00 0.73 O ATOM 130 CB ARG A 9 -13.890 -3.865 -3.005 1.00 0.59 C ATOM 131 CG ARG A 9 -14.596 -2.586 -3.456 1.00 0.86 C ATOM 132 CD ARG A 9 -14.108 -2.189 -4.849 1.00 0.88 C ATOM 133 NE ARG A 9 -14.532 -0.789 -5.138 1.00 1.08 N ATOM 134 CZ ARG A 9 -13.645 0.116 -5.448 1.00 1.14 C ATOM 135 NH1 ARG A 9 -12.952 0.700 -4.505 1.00 1.72 N ATOM 136 NH2 ARG A 9 -13.453 0.437 -6.702 1.00 1.65 N ATOM 0 H ARG A 9 -12.056 -5.084 -0.713 1.00 0.45 H new ATOM 0 HA ARG A 9 -13.545 -2.697 -1.220 1.00 0.55 H new ATOM 0 HB2 ARG A 9 -12.997 -4.032 -3.607 1.00 0.59 H new ATOM 0 HB3 ARG A 9 -14.542 -4.726 -3.156 1.00 0.59 H new ATOM 0 HG2 ARG A 9 -15.675 -2.740 -3.469 1.00 0.86 H new ATOM 0 HG3 ARG A 9 -14.398 -1.781 -2.748 1.00 0.86 H new ATOM 0 HD2 ARG A 9 -13.023 -2.271 -4.904 1.00 0.88 H new ATOM 0 HD3 ARG A 9 -14.517 -2.867 -5.598 1.00 0.88 H new ATOM 0 HE ARG A 9 -15.520 -0.538 -5.093 1.00 1.08 H new ATOM 0 HH11 ARG A 9 -13.105 0.448 -3.529 1.00 1.72 H new ATOM 0 HH12 ARG A 9 -12.258 1.408 -4.746 1.00 1.72 H new ATOM 0 HH21 ARG A 9 -13.996 -0.020 -7.434 1.00 1.65 H new ATOM 0 HH22 ARG A 9 -12.760 1.144 -6.947 1.00 1.65 H new ATOM 150 N LEU A 10 -14.534 -5.851 -0.836 1.00 0.58 N ATOM 151 CA LEU A 10 -15.487 -6.692 -0.046 1.00 0.72 C ATOM 152 C LEU A 10 -15.115 -6.633 1.442 1.00 0.81 C ATOM 153 O LEU A 10 -15.888 -6.170 2.261 1.00 1.00 O ATOM 154 CB LEU A 10 -15.426 -8.143 -0.542 1.00 0.76 C ATOM 155 CG LEU A 10 -16.708 -8.478 -1.313 1.00 1.27 C ATOM 156 CD1 LEU A 10 -16.351 -9.115 -2.660 1.00 1.65 C ATOM 157 CD2 LEU A 10 -17.554 -9.457 -0.495 1.00 1.60 C ATOM 0 H LEU A 10 -13.933 -6.368 -1.478 1.00 0.58 H new ATOM 0 HA LEU A 10 -16.500 -6.312 -0.176 1.00 0.72 H new ATOM 0 HB2 LEU A 10 -14.557 -8.282 -1.185 1.00 0.76 H new ATOM 0 HB3 LEU A 10 -15.310 -8.822 0.303 1.00 0.76 H new ATOM 0 HG LEU A 10 -17.273 -7.562 -1.486 1.00 1.27 H new ATOM 0 HD11 LEU A 10 -17.265 -9.351 -3.204 1.00 1.65 H new ATOM 0 HD12 LEU A 10 -15.751 -8.418 -3.244 1.00 1.65 H new ATOM 0 HD13 LEU A 10 -15.783 -10.030 -2.491 1.00 1.65 H new ATOM 0 HD21 LEU A 10 -18.466 -9.696 -1.043 1.00 1.60 H new ATOM 0 HD22 LEU A 10 -16.986 -10.371 -0.320 1.00 1.60 H new ATOM 0 HD23 LEU A 10 -17.814 -9.003 0.461 1.00 1.60 H new ATOM 169 N GLY A 11 -13.935 -7.091 1.795 1.00 0.77 N ATOM 170 CA GLY A 11 -13.510 -7.059 3.227 1.00 0.90 C ATOM 171 C GLY A 11 -12.050 -7.506 3.343 1.00 0.80 C ATOM 172 O GLY A 11 -11.734 -8.425 4.076 1.00 1.00 O ATOM 0 H GLY A 11 -13.250 -7.485 1.150 1.00 0.77 H new ATOM 0 HA2 GLY A 11 -13.625 -6.052 3.628 1.00 0.90 H new ATOM 0 HA3 GLY A 11 -14.149 -7.713 3.821 1.00 0.90 H new ATOM 176 N LYS A 12 -11.162 -6.860 2.622 1.00 0.58 N ATOM 177 CA LYS A 12 -9.717 -7.235 2.679 1.00 0.52 C ATOM 178 C LYS A 12 -8.884 -6.000 3.045 1.00 0.52 C ATOM 179 O LYS A 12 -8.712 -5.100 2.243 1.00 0.77 O ATOM 180 CB LYS A 12 -9.274 -7.764 1.311 1.00 0.47 C ATOM 181 CG LYS A 12 -8.662 -9.158 1.472 1.00 1.01 C ATOM 182 CD LYS A 12 -8.555 -9.830 0.100 1.00 1.10 C ATOM 183 CE LYS A 12 -9.753 -10.763 -0.111 1.00 1.69 C ATOM 184 NZ LYS A 12 -10.766 -10.097 -0.981 1.00 1.81 N ATOM 0 H LYS A 12 -11.380 -6.086 1.995 1.00 0.58 H new ATOM 0 HA LYS A 12 -9.570 -8.009 3.433 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -10.126 -7.806 0.633 1.00 0.47 H new ATOM 0 HB3 LYS A 12 -8.546 -7.086 0.866 1.00 0.47 H new ATOM 0 HG2 LYS A 12 -7.676 -9.083 1.930 1.00 1.01 H new ATOM 0 HG3 LYS A 12 -9.278 -9.763 2.138 1.00 1.01 H new ATOM 0 HD2 LYS A 12 -8.527 -9.074 -0.685 1.00 1.10 H new ATOM 0 HD3 LYS A 12 -7.625 -10.395 0.032 1.00 1.10 H new ATOM 0 HE2 LYS A 12 -9.423 -11.695 -0.570 1.00 1.69 H new ATOM 0 HE3 LYS A 12 -10.199 -11.021 0.850 1.00 1.69 H new ATOM 0 HZ1 LYS A 12 -11.713 -10.221 -0.569 1.00 1.81 H new ATOM 0 HZ2 LYS A 12 -10.549 -9.082 -1.052 1.00 1.81 H new ATOM 0 HZ3 LYS A 12 -10.743 -10.523 -1.929 1.00 1.81 H new ATOM 198 N LYS A 13 -8.371 -5.952 4.253 1.00 0.47 N ATOM 199 CA LYS A 13 -7.547 -4.778 4.684 1.00 0.46 C ATOM 200 C LYS A 13 -6.134 -5.248 5.062 1.00 0.42 C ATOM 201 O LYS A 13 -5.955 -6.021 5.987 1.00 0.55 O ATOM 202 CB LYS A 13 -8.213 -4.107 5.895 1.00 0.59 C ATOM 203 CG LYS A 13 -8.517 -2.642 5.564 1.00 0.87 C ATOM 204 CD LYS A 13 -8.242 -1.770 6.792 1.00 1.03 C ATOM 205 CE LYS A 13 -8.357 -0.292 6.407 1.00 1.11 C ATOM 206 NZ LYS A 13 -7.216 0.084 5.524 1.00 2.03 N ATOM 0 H LYS A 13 -8.488 -6.678 4.960 1.00 0.47 H new ATOM 0 HA LYS A 13 -7.477 -4.062 3.865 1.00 0.46 H new ATOM 0 HB2 LYS A 13 -9.133 -4.631 6.154 1.00 0.59 H new ATOM 0 HB3 LYS A 13 -7.557 -4.166 6.763 1.00 0.59 H new ATOM 0 HG2 LYS A 13 -7.902 -2.313 4.727 1.00 0.87 H new ATOM 0 HG3 LYS A 13 -9.557 -2.537 5.256 1.00 0.87 H new ATOM 0 HD2 LYS A 13 -8.952 -2.006 7.585 1.00 1.03 H new ATOM 0 HD3 LYS A 13 -7.246 -1.978 7.183 1.00 1.03 H new ATOM 0 HE2 LYS A 13 -9.302 -0.112 5.894 1.00 1.11 H new ATOM 0 HE3 LYS A 13 -8.357 0.329 7.303 1.00 1.11 H new ATOM 0 HZ1 LYS A 13 -6.756 0.940 5.896 1.00 2.03 H new ATOM 0 HZ2 LYS A 13 -6.527 -0.695 5.496 1.00 2.03 H new ATOM 0 HZ3 LYS A 13 -7.567 0.270 4.563 1.00 2.03 H new ATOM 220 N VAL A 14 -5.130 -4.783 4.348 1.00 0.37 N ATOM 221 CA VAL A 14 -3.718 -5.195 4.654 1.00 0.38 C ATOM 222 C VAL A 14 -2.851 -3.950 4.887 1.00 0.33 C ATOM 223 O VAL A 14 -3.121 -2.887 4.362 1.00 0.45 O ATOM 224 CB VAL A 14 -3.121 -6.013 3.491 1.00 0.48 C ATOM 225 CG1 VAL A 14 -2.905 -7.458 3.946 1.00 1.13 C ATOM 226 CG2 VAL A 14 -4.058 -5.997 2.275 1.00 0.72 C ATOM 0 H VAL A 14 -5.229 -4.135 3.566 1.00 0.37 H new ATOM 0 HA VAL A 14 -3.732 -5.813 5.552 1.00 0.38 H new ATOM 0 HB VAL A 14 -2.170 -5.565 3.203 1.00 0.48 H new ATOM 0 HG11 VAL A 14 -2.483 -8.039 3.126 1.00 1.13 H new ATOM 0 HG12 VAL A 14 -2.219 -7.474 4.793 1.00 1.13 H new ATOM 0 HG13 VAL A 14 -3.859 -7.892 4.244 1.00 1.13 H new ATOM 0 HG21 VAL A 14 -3.616 -6.580 1.467 1.00 0.72 H new ATOM 0 HG22 VAL A 14 -5.020 -6.430 2.551 1.00 0.72 H new ATOM 0 HG23 VAL A 14 -4.205 -4.969 1.942 1.00 0.72 H new ATOM 236 N ARG A 15 -1.802 -4.085 5.667 1.00 0.29 N ATOM 237 CA ARG A 15 -0.897 -2.923 5.941 1.00 0.32 C ATOM 238 C ARG A 15 0.468 -3.165 5.283 1.00 0.33 C ATOM 239 O ARG A 15 0.895 -4.294 5.122 1.00 0.51 O ATOM 240 CB ARG A 15 -0.720 -2.748 7.458 1.00 0.41 C ATOM 241 CG ARG A 15 -0.162 -4.034 8.085 1.00 0.50 C ATOM 242 CD ARG A 15 1.155 -3.727 8.804 1.00 0.75 C ATOM 243 NE ARG A 15 2.296 -3.860 7.850 1.00 0.99 N ATOM 244 CZ ARG A 15 3.501 -3.522 8.222 1.00 0.79 C ATOM 245 NH1 ARG A 15 4.239 -4.373 8.891 1.00 1.58 N ATOM 246 NH2 ARG A 15 3.969 -2.334 7.925 1.00 0.99 N ATOM 0 H ARG A 15 -1.534 -4.955 6.127 1.00 0.29 H new ATOM 0 HA ARG A 15 -1.340 -2.017 5.526 1.00 0.32 H new ATOM 0 HB2 ARG A 15 -0.045 -1.916 7.658 1.00 0.41 H new ATOM 0 HB3 ARG A 15 -1.677 -2.499 7.916 1.00 0.41 H new ATOM 0 HG2 ARG A 15 -0.883 -4.450 8.788 1.00 0.50 H new ATOM 0 HG3 ARG A 15 0.000 -4.786 7.313 1.00 0.50 H new ATOM 0 HD2 ARG A 15 1.129 -2.718 9.215 1.00 0.75 H new ATOM 0 HD3 ARG A 15 1.289 -4.410 9.643 1.00 0.75 H new ATOM 0 HE ARG A 15 2.134 -4.215 6.908 1.00 0.99 H new ATOM 0 HH11 ARG A 15 3.872 -5.297 9.120 1.00 1.58 H new ATOM 0 HH12 ARG A 15 5.181 -4.112 9.183 1.00 1.58 H new ATOM 0 HH21 ARG A 15 3.392 -1.674 7.404 1.00 0.99 H new ATOM 0 HH22 ARG A 15 4.910 -2.069 8.215 1.00 0.99 H new ATOM 260 N VAL A 16 1.153 -2.112 4.902 1.00 0.27 N ATOM 261 CA VAL A 16 2.493 -2.274 4.252 1.00 0.29 C ATOM 262 C VAL A 16 3.344 -1.017 4.491 1.00 0.27 C ATOM 263 O VAL A 16 2.855 0.098 4.415 1.00 0.31 O ATOM 264 CB VAL A 16 2.304 -2.509 2.744 1.00 0.36 C ATOM 265 CG1 VAL A 16 1.605 -1.305 2.105 1.00 0.43 C ATOM 266 CG2 VAL A 16 3.667 -2.716 2.076 1.00 0.50 C ATOM 0 H VAL A 16 0.842 -1.147 5.013 1.00 0.27 H new ATOM 0 HA VAL A 16 3.007 -3.132 4.686 1.00 0.29 H new ATOM 0 HB VAL A 16 1.689 -3.398 2.603 1.00 0.36 H new ATOM 0 HG11 VAL A 16 1.477 -1.483 1.037 1.00 0.43 H new ATOM 0 HG12 VAL A 16 0.629 -1.163 2.569 1.00 0.43 H new ATOM 0 HG13 VAL A 16 2.211 -0.411 2.253 1.00 0.43 H new ATOM 0 HG21 VAL A 16 3.527 -2.882 1.008 1.00 0.50 H new ATOM 0 HG22 VAL A 16 4.285 -1.831 2.228 1.00 0.50 H new ATOM 0 HG23 VAL A 16 4.160 -3.583 2.516 1.00 0.50 H new ATOM 276 N LYS A 17 4.613 -1.193 4.782 1.00 0.30 N ATOM 277 CA LYS A 17 5.507 -0.018 5.030 1.00 0.32 C ATOM 278 C LYS A 17 6.469 0.176 3.847 1.00 0.33 C ATOM 279 O LYS A 17 7.059 -0.767 3.349 1.00 0.44 O ATOM 280 CB LYS A 17 6.313 -0.232 6.319 1.00 0.42 C ATOM 281 CG LYS A 17 6.992 -1.606 6.300 1.00 0.53 C ATOM 282 CD LYS A 17 8.396 -1.492 6.896 1.00 1.21 C ATOM 283 CE LYS A 17 9.239 -2.689 6.448 1.00 1.68 C ATOM 284 NZ LYS A 17 9.809 -2.421 5.095 1.00 2.73 N ATOM 0 H LYS A 17 5.068 -2.103 4.858 1.00 0.30 H new ATOM 0 HA LYS A 17 4.889 0.873 5.137 1.00 0.32 H new ATOM 0 HB2 LYS A 17 7.064 0.551 6.420 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.655 -0.156 7.184 1.00 0.42 H new ATOM 0 HG2 LYS A 17 6.401 -2.323 6.870 1.00 0.53 H new ATOM 0 HG3 LYS A 17 7.049 -1.981 5.278 1.00 0.53 H new ATOM 0 HD2 LYS A 17 8.865 -0.562 6.574 1.00 1.21 H new ATOM 0 HD3 LYS A 17 8.339 -1.460 7.984 1.00 1.21 H new ATOM 0 HE2 LYS A 17 10.042 -2.869 7.163 1.00 1.68 H new ATOM 0 HE3 LYS A 17 8.626 -3.590 6.424 1.00 1.68 H new ATOM 0 HZ1 LYS A 17 10.381 -3.235 4.792 1.00 2.73 H new ATOM 0 HZ2 LYS A 17 9.036 -2.270 4.416 1.00 2.73 H new ATOM 0 HZ3 LYS A 17 10.408 -1.572 5.133 1.00 2.73 H new ATOM 298 N CYS A 18 6.631 1.402 3.404 1.00 0.31 N ATOM 299 CA CYS A 18 7.553 1.696 2.260 1.00 0.35 C ATOM 300 C CYS A 18 7.956 3.177 2.295 1.00 0.32 C ATOM 301 O CYS A 18 7.281 3.996 2.895 1.00 0.47 O ATOM 302 CB CYS A 18 6.847 1.386 0.934 1.00 0.44 C ATOM 303 SG CYS A 18 5.302 2.326 0.830 1.00 0.59 S ATOM 0 H CYS A 18 6.159 2.219 3.791 1.00 0.31 H new ATOM 0 HA CYS A 18 8.445 1.075 2.346 1.00 0.35 H new ATOM 0 HB2 CYS A 18 7.496 1.642 0.097 1.00 0.44 H new ATOM 0 HB3 CYS A 18 6.640 0.318 0.862 1.00 0.44 H new ATOM 0 HG CYS A 18 4.592 1.885 -0.165 1.00 0.59 H new ATOM 309 N LEU A 19 9.050 3.530 1.659 1.00 0.33 N ATOM 310 CA LEU A 19 9.494 4.959 1.657 1.00 0.30 C ATOM 311 C LEU A 19 8.747 5.731 0.560 1.00 0.30 C ATOM 312 O LEU A 19 8.438 5.192 -0.490 1.00 0.32 O ATOM 313 CB LEU A 19 11.004 5.029 1.398 1.00 0.34 C ATOM 314 CG LEU A 19 11.699 5.718 2.577 1.00 0.45 C ATOM 315 CD1 LEU A 19 13.154 5.249 2.658 1.00 0.64 C ATOM 316 CD2 LEU A 19 11.665 7.237 2.378 1.00 0.56 C ATOM 0 H LEU A 19 9.653 2.890 1.142 1.00 0.33 H new ATOM 0 HA LEU A 19 9.273 5.406 2.626 1.00 0.30 H new ATOM 0 HB2 LEU A 19 11.406 4.025 1.262 1.00 0.34 H new ATOM 0 HB3 LEU A 19 11.200 5.578 0.477 1.00 0.34 H new ATOM 0 HG LEU A 19 11.181 5.461 3.501 1.00 0.45 H new ATOM 0 HD11 LEU A 19 13.648 5.739 3.497 1.00 0.64 H new ATOM 0 HD12 LEU A 19 13.181 4.169 2.802 1.00 0.64 H new ATOM 0 HD13 LEU A 19 13.671 5.504 1.733 1.00 0.64 H new ATOM 0 HD21 LEU A 19 12.160 7.725 3.218 1.00 0.56 H new ATOM 0 HD22 LEU A 19 12.181 7.494 1.453 1.00 0.56 H new ATOM 0 HD23 LEU A 19 10.630 7.573 2.321 1.00 0.56 H new ATOM 328 N ALA A 20 8.462 6.991 0.799 1.00 0.37 N ATOM 329 CA ALA A 20 7.740 7.818 -0.224 1.00 0.43 C ATOM 330 C ALA A 20 8.612 7.979 -1.481 1.00 0.40 C ATOM 331 O ALA A 20 8.110 8.254 -2.558 1.00 0.44 O ATOM 332 CB ALA A 20 7.428 9.199 0.363 1.00 0.58 C ATOM 0 H ALA A 20 8.699 7.483 1.660 1.00 0.37 H new ATOM 0 HA ALA A 20 6.811 7.318 -0.496 1.00 0.43 H new ATOM 0 HB1 ALA A 20 6.904 9.800 -0.380 1.00 0.58 H new ATOM 0 HB2 ALA A 20 6.800 9.085 1.247 1.00 0.58 H new ATOM 0 HB3 ALA A 20 8.358 9.695 0.640 1.00 0.58 H new ATOM 338 N GLU A 21 9.910 7.797 -1.354 1.00 0.37 N ATOM 339 CA GLU A 21 10.819 7.926 -2.535 1.00 0.40 C ATOM 340 C GLU A 21 10.779 6.633 -3.364 1.00 0.34 C ATOM 341 O GLU A 21 11.112 6.634 -4.535 1.00 0.39 O ATOM 342 CB GLU A 21 12.256 8.190 -2.060 1.00 0.48 C ATOM 343 CG GLU A 21 12.745 7.032 -1.178 1.00 0.46 C ATOM 344 CD GLU A 21 13.766 6.185 -1.947 1.00 0.54 C ATOM 345 OE1 GLU A 21 14.907 6.607 -2.041 1.00 0.73 O ATOM 346 OE2 GLU A 21 13.389 5.127 -2.426 1.00 0.59 O ATOM 0 H GLU A 21 10.377 7.564 -0.477 1.00 0.37 H new ATOM 0 HA GLU A 21 10.486 8.760 -3.152 1.00 0.40 H new ATOM 0 HB2 GLU A 21 12.916 8.305 -2.920 1.00 0.48 H new ATOM 0 HB3 GLU A 21 12.296 9.125 -1.501 1.00 0.48 H new ATOM 0 HG2 GLU A 21 13.197 7.423 -0.267 1.00 0.46 H new ATOM 0 HG3 GLU A 21 11.901 6.413 -0.875 1.00 0.46 H new ATOM 353 N ASP A 22 10.375 5.532 -2.763 1.00 0.30 N ATOM 354 CA ASP A 22 10.312 4.240 -3.510 1.00 0.32 C ATOM 355 C ASP A 22 9.226 4.321 -4.591 1.00 0.30 C ATOM 356 O ASP A 22 8.339 5.155 -4.531 1.00 0.39 O ATOM 357 CB ASP A 22 9.985 3.097 -2.540 1.00 0.36 C ATOM 358 CG ASP A 22 11.285 2.525 -1.966 1.00 0.41 C ATOM 359 OD1 ASP A 22 11.826 1.612 -2.568 1.00 0.53 O ATOM 360 OD2 ASP A 22 11.716 3.009 -0.931 1.00 0.55 O ATOM 0 H ASP A 22 10.087 5.479 -1.786 1.00 0.30 H new ATOM 0 HA ASP A 22 11.277 4.050 -3.980 1.00 0.32 H new ATOM 0 HB2 ASP A 22 9.348 3.461 -1.734 1.00 0.36 H new ATOM 0 HB3 ASP A 22 9.429 2.315 -3.057 1.00 0.36 H new ATOM 365 N SER A 23 9.297 3.462 -5.578 1.00 0.29 N ATOM 366 CA SER A 23 8.279 3.484 -6.673 1.00 0.30 C ATOM 367 C SER A 23 7.129 2.520 -6.352 1.00 0.28 C ATOM 368 O SER A 23 7.193 1.747 -5.412 1.00 0.30 O ATOM 369 CB SER A 23 8.941 3.066 -7.989 1.00 0.36 C ATOM 370 OG SER A 23 9.138 4.214 -8.804 1.00 0.71 O ATOM 0 H SER A 23 10.017 2.746 -5.672 1.00 0.29 H new ATOM 0 HA SER A 23 7.878 4.494 -6.763 1.00 0.30 H new ATOM 0 HB2 SER A 23 9.896 2.579 -7.790 1.00 0.36 H new ATOM 0 HB3 SER A 23 8.316 2.340 -8.509 1.00 0.36 H new ATOM 0 HG SER A 23 9.563 3.948 -9.646 1.00 0.71 H new ATOM 376 N VAL A 24 6.078 2.564 -7.144 1.00 0.28 N ATOM 377 CA VAL A 24 4.911 1.652 -6.917 1.00 0.28 C ATOM 378 C VAL A 24 5.386 0.195 -7.027 1.00 0.27 C ATOM 379 O VAL A 24 4.874 -0.680 -6.354 1.00 0.30 O ATOM 380 CB VAL A 24 3.824 1.931 -7.966 1.00 0.31 C ATOM 381 CG1 VAL A 24 2.626 1.003 -7.739 1.00 0.39 C ATOM 382 CG2 VAL A 24 3.360 3.387 -7.848 1.00 0.34 C ATOM 0 H VAL A 24 5.981 3.195 -7.939 1.00 0.28 H new ATOM 0 HA VAL A 24 4.494 1.825 -5.925 1.00 0.28 H new ATOM 0 HB VAL A 24 4.236 1.753 -8.959 1.00 0.31 H new ATOM 0 HG11 VAL A 24 1.860 1.208 -8.487 1.00 0.39 H new ATOM 0 HG12 VAL A 24 2.948 -0.035 -7.824 1.00 0.39 H new ATOM 0 HG13 VAL A 24 2.216 1.175 -6.744 1.00 0.39 H new ATOM 0 HG21 VAL A 24 2.589 3.585 -8.592 1.00 0.34 H new ATOM 0 HG22 VAL A 24 2.955 3.560 -6.851 1.00 0.34 H new ATOM 0 HG23 VAL A 24 4.206 4.053 -8.016 1.00 0.34 H new ATOM 392 N GLY A 25 6.374 -0.063 -7.861 1.00 0.27 N ATOM 393 CA GLY A 25 6.906 -1.455 -8.005 1.00 0.29 C ATOM 394 C GLY A 25 7.393 -1.948 -6.637 1.00 0.28 C ATOM 395 O GLY A 25 7.118 -3.066 -6.240 1.00 0.33 O ATOM 0 H GLY A 25 6.832 0.635 -8.447 1.00 0.27 H new ATOM 0 HA2 GLY A 25 6.130 -2.117 -8.389 1.00 0.29 H new ATOM 0 HA3 GLY A 25 7.724 -1.473 -8.725 1.00 0.29 H new ATOM 399 N ASP A 26 8.096 -1.106 -5.906 1.00 0.27 N ATOM 400 CA ASP A 26 8.586 -1.499 -4.547 1.00 0.27 C ATOM 401 C ASP A 26 7.376 -1.703 -3.626 1.00 0.26 C ATOM 402 O ASP A 26 7.362 -2.594 -2.797 1.00 0.30 O ATOM 403 CB ASP A 26 9.481 -0.390 -3.976 1.00 0.32 C ATOM 404 CG ASP A 26 10.699 -0.181 -4.884 1.00 0.36 C ATOM 405 OD1 ASP A 26 11.672 -0.899 -4.713 1.00 0.51 O ATOM 406 OD2 ASP A 26 10.640 0.697 -5.729 1.00 0.44 O ATOM 0 H ASP A 26 8.350 -0.162 -6.197 1.00 0.27 H new ATOM 0 HA ASP A 26 9.163 -2.421 -4.617 1.00 0.27 H new ATOM 0 HB2 ASP A 26 8.916 0.538 -3.892 1.00 0.32 H new ATOM 0 HB3 ASP A 26 9.808 -0.656 -2.971 1.00 0.32 H new ATOM 411 N PHE A 27 6.355 -0.888 -3.789 1.00 0.26 N ATOM 412 CA PHE A 27 5.119 -1.019 -2.955 1.00 0.27 C ATOM 413 C PHE A 27 4.523 -2.419 -3.155 1.00 0.28 C ATOM 414 O PHE A 27 4.208 -3.109 -2.203 1.00 0.35 O ATOM 415 CB PHE A 27 4.101 0.037 -3.407 1.00 0.29 C ATOM 416 CG PHE A 27 3.033 0.226 -2.353 1.00 0.29 C ATOM 417 CD1 PHE A 27 2.123 -0.803 -2.080 1.00 0.35 C ATOM 418 CD2 PHE A 27 2.946 1.438 -1.660 1.00 0.36 C ATOM 419 CE1 PHE A 27 1.129 -0.619 -1.113 1.00 0.39 C ATOM 420 CE2 PHE A 27 1.952 1.621 -0.693 1.00 0.40 C ATOM 421 CZ PHE A 27 1.043 0.593 -0.421 1.00 0.39 C ATOM 0 H PHE A 27 6.329 -0.131 -4.472 1.00 0.26 H new ATOM 0 HA PHE A 27 5.361 -0.872 -1.902 1.00 0.27 H new ATOM 0 HB2 PHE A 27 4.608 0.984 -3.594 1.00 0.29 H new ATOM 0 HB3 PHE A 27 3.643 -0.270 -4.347 1.00 0.29 H new ATOM 0 HD1 PHE A 27 2.189 -1.738 -2.616 1.00 0.35 H new ATOM 0 HD2 PHE A 27 3.646 2.232 -1.872 1.00 0.36 H new ATOM 0 HE1 PHE A 27 0.428 -1.413 -0.901 1.00 0.39 H new ATOM 0 HE2 PHE A 27 1.886 2.556 -0.156 1.00 0.40 H new ATOM 0 HZ PHE A 27 0.274 0.736 0.324 1.00 0.39 H new ATOM 431 N LYS A 28 4.372 -2.835 -4.394 1.00 0.26 N ATOM 432 CA LYS A 28 3.802 -4.187 -4.686 1.00 0.29 C ATOM 433 C LYS A 28 4.771 -5.281 -4.212 1.00 0.29 C ATOM 434 O LYS A 28 4.357 -6.374 -3.878 1.00 0.34 O ATOM 435 CB LYS A 28 3.576 -4.335 -6.196 1.00 0.32 C ATOM 436 CG LYS A 28 2.529 -3.321 -6.669 1.00 0.40 C ATOM 437 CD LYS A 28 2.676 -3.097 -8.178 1.00 0.57 C ATOM 438 CE LYS A 28 1.479 -2.290 -8.694 1.00 0.76 C ATOM 439 NZ LYS A 28 1.791 -1.744 -10.047 1.00 1.04 N ATOM 0 H LYS A 28 4.622 -2.289 -5.219 1.00 0.26 H new ATOM 0 HA LYS A 28 2.854 -4.291 -4.159 1.00 0.29 H new ATOM 0 HB2 LYS A 28 4.513 -4.179 -6.730 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.244 -5.348 -6.425 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.527 -3.684 -6.441 1.00 0.40 H new ATOM 0 HG3 LYS A 28 2.655 -2.378 -6.137 1.00 0.40 H new ATOM 0 HD2 LYS A 28 3.604 -2.566 -8.389 1.00 0.57 H new ATOM 0 HD3 LYS A 28 2.732 -4.055 -8.695 1.00 0.57 H new ATOM 0 HE2 LYS A 28 0.593 -2.924 -8.742 1.00 0.76 H new ATOM 0 HE3 LYS A 28 1.252 -1.476 -8.005 1.00 0.76 H new ATOM 0 HZ1 LYS A 28 0.979 -1.197 -10.396 1.00 1.04 H new ATOM 0 HZ2 LYS A 28 2.625 -1.126 -9.988 1.00 1.04 H new ATOM 0 HZ3 LYS A 28 1.987 -2.528 -10.701 1.00 1.04 H new ATOM 453 N LYS A 29 6.057 -4.994 -4.187 1.00 0.28 N ATOM 454 CA LYS A 29 7.060 -6.015 -3.739 1.00 0.31 C ATOM 455 C LYS A 29 6.906 -6.278 -2.234 1.00 0.31 C ATOM 456 O LYS A 29 6.885 -7.415 -1.798 1.00 0.38 O ATOM 457 CB LYS A 29 8.477 -5.504 -4.020 1.00 0.38 C ATOM 458 CG LYS A 29 8.848 -5.779 -5.481 1.00 0.58 C ATOM 459 CD LYS A 29 9.607 -7.106 -5.581 1.00 0.95 C ATOM 460 CE LYS A 29 10.959 -6.875 -6.270 1.00 1.63 C ATOM 461 NZ LYS A 29 11.330 -8.079 -7.070 1.00 2.17 N ATOM 0 H LYS A 29 6.453 -4.094 -4.459 1.00 0.28 H new ATOM 0 HA LYS A 29 6.889 -6.942 -4.287 1.00 0.31 H new ATOM 0 HB2 LYS A 29 8.535 -4.435 -3.816 1.00 0.38 H new ATOM 0 HB3 LYS A 29 9.189 -5.995 -3.356 1.00 0.38 H new ATOM 0 HG2 LYS A 29 7.947 -5.817 -6.094 1.00 0.58 H new ATOM 0 HG3 LYS A 29 9.463 -4.967 -5.869 1.00 0.58 H new ATOM 0 HD2 LYS A 29 9.761 -7.524 -4.586 1.00 0.95 H new ATOM 0 HD3 LYS A 29 9.020 -7.831 -6.144 1.00 0.95 H new ATOM 0 HE2 LYS A 29 10.903 -6.000 -6.917 1.00 1.63 H new ATOM 0 HE3 LYS A 29 11.728 -6.671 -5.524 1.00 1.63 H new ATOM 0 HZ1 LYS A 29 12.246 -7.918 -7.535 1.00 2.17 H new ATOM 0 HZ2 LYS A 29 11.401 -8.905 -6.442 1.00 2.17 H new ATOM 0 HZ3 LYS A 29 10.602 -8.254 -7.792 1.00 2.17 H new ATOM 475 N VAL A 30 6.802 -5.236 -1.437 1.00 0.30 N ATOM 476 CA VAL A 30 6.650 -5.425 0.041 1.00 0.33 C ATOM 477 C VAL A 30 5.237 -5.935 0.353 1.00 0.30 C ATOM 478 O VAL A 30 5.045 -6.724 1.262 1.00 0.34 O ATOM 479 CB VAL A 30 6.883 -4.091 0.770 1.00 0.37 C ATOM 480 CG1 VAL A 30 6.860 -4.325 2.284 1.00 0.43 C ATOM 481 CG2 VAL A 30 8.244 -3.511 0.375 1.00 0.47 C ATOM 0 H VAL A 30 6.816 -4.265 -1.748 1.00 0.30 H new ATOM 0 HA VAL A 30 7.386 -6.153 0.382 1.00 0.33 H new ATOM 0 HB VAL A 30 6.095 -3.391 0.491 1.00 0.37 H new ATOM 0 HG11 VAL A 30 7.025 -3.380 2.801 1.00 0.43 H new ATOM 0 HG12 VAL A 30 5.892 -4.733 2.574 1.00 0.43 H new ATOM 0 HG13 VAL A 30 7.647 -5.029 2.555 1.00 0.43 H new ATOM 0 HG21 VAL A 30 8.402 -2.566 0.895 1.00 0.47 H new ATOM 0 HG22 VAL A 30 9.032 -4.212 0.649 1.00 0.47 H new ATOM 0 HG23 VAL A 30 8.268 -3.341 -0.701 1.00 0.47 H new ATOM 491 N LEU A 31 4.250 -5.489 -0.392 1.00 0.31 N ATOM 492 CA LEU A 31 2.847 -5.943 -0.147 1.00 0.31 C ATOM 493 C LEU A 31 2.691 -7.409 -0.576 1.00 0.31 C ATOM 494 O LEU A 31 2.101 -8.203 0.132 1.00 0.34 O ATOM 495 CB LEU A 31 1.881 -5.061 -0.949 1.00 0.35 C ATOM 496 CG LEU A 31 0.435 -5.373 -0.549 1.00 0.33 C ATOM 497 CD1 LEU A 31 0.178 -4.890 0.881 1.00 0.51 C ATOM 498 CD2 LEU A 31 -0.522 -4.659 -1.507 1.00 0.43 C ATOM 0 H LEU A 31 4.360 -4.828 -1.161 1.00 0.31 H new ATOM 0 HA LEU A 31 2.619 -5.859 0.916 1.00 0.31 H new ATOM 0 HB2 LEU A 31 2.099 -4.009 -0.766 1.00 0.35 H new ATOM 0 HB3 LEU A 31 2.018 -5.234 -2.016 1.00 0.35 H new ATOM 0 HG LEU A 31 0.271 -6.449 -0.600 1.00 0.33 H new ATOM 0 HD11 LEU A 31 -0.851 -5.114 1.161 1.00 0.51 H new ATOM 0 HD12 LEU A 31 0.859 -5.398 1.564 1.00 0.51 H new ATOM 0 HD13 LEU A 31 0.343 -3.814 0.937 1.00 0.51 H new ATOM 0 HD21 LEU A 31 -1.551 -4.880 -1.224 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.354 -3.583 -1.455 1.00 0.43 H new ATOM 0 HD23 LEU A 31 -0.343 -5.005 -2.525 1.00 0.43 H new ATOM 510 N SER A 32 3.215 -7.766 -1.730 1.00 0.31 N ATOM 511 CA SER A 32 3.105 -9.179 -2.232 1.00 0.33 C ATOM 512 C SER A 32 3.649 -10.177 -1.196 1.00 0.35 C ATOM 513 O SER A 32 3.223 -11.315 -1.153 1.00 0.40 O ATOM 514 CB SER A 32 3.896 -9.326 -3.536 1.00 0.36 C ATOM 515 OG SER A 32 5.269 -9.034 -3.301 1.00 0.40 O ATOM 0 H SER A 32 3.719 -7.133 -2.351 1.00 0.31 H new ATOM 0 HA SER A 32 2.051 -9.397 -2.407 1.00 0.33 H new ATOM 0 HB2 SER A 32 3.791 -10.339 -3.924 1.00 0.36 H new ATOM 0 HB3 SER A 32 3.496 -8.652 -4.293 1.00 0.36 H new ATOM 0 HG SER A 32 5.343 -8.339 -2.614 1.00 0.40 H new ATOM 521 N LEU A 33 4.584 -9.767 -0.370 1.00 0.38 N ATOM 522 CA LEU A 33 5.149 -10.700 0.655 1.00 0.44 C ATOM 523 C LEU A 33 4.097 -10.992 1.737 1.00 0.44 C ATOM 524 O LEU A 33 4.041 -12.084 2.273 1.00 0.50 O ATOM 525 CB LEU A 33 6.385 -10.060 1.303 1.00 0.53 C ATOM 526 CG LEU A 33 7.661 -10.760 0.814 1.00 0.62 C ATOM 527 CD1 LEU A 33 7.639 -12.233 1.233 1.00 0.71 C ATOM 528 CD2 LEU A 33 7.752 -10.663 -0.713 1.00 0.65 C ATOM 0 H LEU A 33 4.979 -8.827 -0.362 1.00 0.38 H new ATOM 0 HA LEU A 33 5.431 -11.634 0.170 1.00 0.44 H new ATOM 0 HB2 LEU A 33 6.426 -8.999 1.056 1.00 0.53 H new ATOM 0 HB3 LEU A 33 6.315 -10.132 2.388 1.00 0.53 H new ATOM 0 HG LEU A 33 8.528 -10.272 1.260 1.00 0.62 H new ATOM 0 HD11 LEU A 33 8.547 -12.724 0.883 1.00 0.71 H new ATOM 0 HD12 LEU A 33 7.585 -12.301 2.320 1.00 0.71 H new ATOM 0 HD13 LEU A 33 6.769 -12.723 0.795 1.00 0.71 H new ATOM 0 HD21 LEU A 33 8.659 -11.161 -1.056 1.00 0.65 H new ATOM 0 HD22 LEU A 33 6.882 -11.144 -1.161 1.00 0.65 H new ATOM 0 HD23 LEU A 33 7.779 -9.615 -1.010 1.00 0.65 H new ATOM 540 N GLN A 34 3.272 -10.022 2.065 1.00 0.42 N ATOM 541 CA GLN A 34 2.228 -10.230 3.118 1.00 0.46 C ATOM 542 C GLN A 34 0.992 -10.921 2.524 1.00 0.45 C ATOM 543 O GLN A 34 0.525 -11.916 3.049 1.00 0.56 O ATOM 544 CB GLN A 34 1.828 -8.875 3.709 1.00 0.49 C ATOM 545 CG GLN A 34 2.976 -8.342 4.571 1.00 0.61 C ATOM 546 CD GLN A 34 2.847 -6.824 4.729 1.00 0.46 C ATOM 547 OE1 GLN A 34 2.596 -6.335 5.811 1.00 0.72 O ATOM 548 NE2 GLN A 34 3.015 -6.052 3.687 1.00 0.52 N ATOM 0 H GLN A 34 3.279 -9.092 1.646 1.00 0.42 H new ATOM 0 HA GLN A 34 2.638 -10.868 3.901 1.00 0.46 H new ATOM 0 HB2 GLN A 34 1.600 -8.170 2.910 1.00 0.49 H new ATOM 0 HB3 GLN A 34 0.925 -8.979 4.310 1.00 0.49 H new ATOM 0 HG2 GLN A 34 2.960 -8.821 5.550 1.00 0.61 H new ATOM 0 HG3 GLN A 34 3.933 -8.589 4.111 1.00 0.61 H new ATOM 0 HE21 GLN A 34 3.226 -6.462 2.777 1.00 0.52 H new ATOM 0 HE22 GLN A 34 2.935 -5.040 3.784 1.00 0.52 H new ATOM 557 N ILE A 35 0.450 -10.398 1.443 1.00 0.42 N ATOM 558 CA ILE A 35 -0.770 -11.027 0.828 1.00 0.44 C ATOM 559 C ILE A 35 -0.393 -12.282 0.026 1.00 0.44 C ATOM 560 O ILE A 35 -1.228 -13.135 -0.216 1.00 0.54 O ATOM 561 CB ILE A 35 -1.493 -10.032 -0.100 1.00 0.42 C ATOM 562 CG1 ILE A 35 -0.490 -9.307 -1.009 1.00 0.38 C ATOM 563 CG2 ILE A 35 -2.246 -9.003 0.741 1.00 0.50 C ATOM 564 CD1 ILE A 35 -1.242 -8.399 -1.988 1.00 0.39 C ATOM 0 H ILE A 35 0.797 -9.568 0.963 1.00 0.42 H new ATOM 0 HA ILE A 35 -1.438 -11.308 1.642 1.00 0.44 H new ATOM 0 HB ILE A 35 -2.193 -10.588 -0.724 1.00 0.42 H new ATOM 0 HG12 ILE A 35 0.200 -8.716 -0.407 1.00 0.38 H new ATOM 0 HG13 ILE A 35 0.109 -10.034 -1.558 1.00 0.38 H new ATOM 0 HG21 ILE A 35 -2.757 -8.300 0.084 1.00 0.50 H new ATOM 0 HG22 ILE A 35 -2.978 -9.511 1.368 1.00 0.50 H new ATOM 0 HG23 ILE A 35 -1.541 -8.463 1.372 1.00 0.50 H new ATOM 0 HD11 ILE A 35 -0.527 -7.886 -2.631 1.00 0.39 H new ATOM 0 HD12 ILE A 35 -1.914 -9.001 -2.600 1.00 0.39 H new ATOM 0 HD13 ILE A 35 -1.821 -7.663 -1.430 1.00 0.39 H new ATOM 576 N GLY A 36 0.845 -12.399 -0.401 1.00 0.39 N ATOM 577 CA GLY A 36 1.258 -13.593 -1.202 1.00 0.41 C ATOM 578 C GLY A 36 0.579 -13.529 -2.573 1.00 0.41 C ATOM 579 O GLY A 36 0.111 -14.526 -3.091 1.00 0.50 O ATOM 0 H GLY A 36 1.585 -11.718 -0.228 1.00 0.39 H new ATOM 0 HA2 GLY A 36 2.342 -13.612 -1.318 1.00 0.41 H new ATOM 0 HA3 GLY A 36 0.977 -14.510 -0.684 1.00 0.41 H new ATOM 583 N THR A 37 0.512 -12.350 -3.147 1.00 0.35 N ATOM 584 CA THR A 37 -0.149 -12.181 -4.478 1.00 0.37 C ATOM 585 C THR A 37 0.893 -11.805 -5.548 1.00 0.37 C ATOM 586 O THR A 37 0.552 -11.627 -6.704 1.00 0.43 O ATOM 587 CB THR A 37 -1.203 -11.063 -4.374 1.00 0.38 C ATOM 588 OG1 THR A 37 -1.821 -11.097 -3.092 1.00 0.41 O ATOM 589 CG2 THR A 37 -2.272 -11.253 -5.449 1.00 0.48 C ATOM 0 H THR A 37 0.891 -11.492 -2.746 1.00 0.35 H new ATOM 0 HA THR A 37 -0.624 -13.119 -4.765 1.00 0.37 H new ATOM 0 HB THR A 37 -0.709 -10.102 -4.516 1.00 0.38 H new ATOM 0 HG1 THR A 37 -2.741 -10.767 -3.164 1.00 0.41 H new ATOM 0 HG21 THR A 37 -3.014 -10.458 -5.369 1.00 0.48 H new ATOM 0 HG22 THR A 37 -1.807 -11.218 -6.434 1.00 0.48 H new ATOM 0 HG23 THR A 37 -2.758 -12.219 -5.312 1.00 0.48 H new ATOM 597 N GLN A 38 2.155 -11.680 -5.171 1.00 0.37 N ATOM 598 CA GLN A 38 3.232 -11.309 -6.151 1.00 0.40 C ATOM 599 C GLN A 38 3.008 -9.874 -6.664 1.00 0.42 C ATOM 600 O GLN A 38 1.892 -9.388 -6.685 1.00 0.43 O ATOM 601 CB GLN A 38 3.234 -12.287 -7.335 1.00 0.43 C ATOM 602 CG GLN A 38 3.815 -13.632 -6.893 1.00 0.63 C ATOM 603 CD GLN A 38 3.331 -14.731 -7.844 1.00 1.42 C ATOM 604 OE1 GLN A 38 3.842 -14.872 -8.939 1.00 2.19 O ATOM 605 NE2 GLN A 38 2.360 -15.521 -7.474 1.00 2.11 N ATOM 0 H GLN A 38 2.483 -11.822 -4.215 1.00 0.37 H new ATOM 0 HA GLN A 38 4.196 -11.363 -5.645 1.00 0.40 H new ATOM 0 HB2 GLN A 38 2.219 -12.424 -7.708 1.00 0.43 H new ATOM 0 HB3 GLN A 38 3.823 -11.878 -8.156 1.00 0.43 H new ATOM 0 HG2 GLN A 38 4.904 -13.588 -6.894 1.00 0.63 H new ATOM 0 HG3 GLN A 38 3.506 -13.857 -5.872 1.00 0.63 H new ATOM 0 HE21 GLN A 38 1.930 -15.405 -6.556 1.00 2.11 H new ATOM 0 HE22 GLN A 38 2.032 -16.254 -8.102 1.00 2.11 H new ATOM 614 N PRO A 39 4.086 -9.234 -7.061 1.00 0.50 N ATOM 615 CA PRO A 39 4.049 -7.845 -7.577 1.00 0.60 C ATOM 616 C PRO A 39 3.434 -7.783 -8.986 1.00 0.62 C ATOM 617 O PRO A 39 3.019 -6.732 -9.438 1.00 0.79 O ATOM 618 CB PRO A 39 5.524 -7.427 -7.591 1.00 0.71 C ATOM 619 CG PRO A 39 6.348 -8.736 -7.617 1.00 0.67 C ATOM 620 CD PRO A 39 5.437 -9.837 -7.047 1.00 0.55 C ATOM 0 HA PRO A 39 3.429 -7.186 -6.968 1.00 0.60 H new ATOM 0 HB2 PRO A 39 5.745 -6.811 -8.463 1.00 0.71 H new ATOM 0 HB3 PRO A 39 5.768 -6.832 -6.711 1.00 0.71 H new ATOM 0 HG2 PRO A 39 6.660 -8.978 -8.633 1.00 0.67 H new ATOM 0 HG3 PRO A 39 7.255 -8.635 -7.021 1.00 0.67 H new ATOM 0 HD2 PRO A 39 5.476 -10.741 -7.655 1.00 0.55 H new ATOM 0 HD3 PRO A 39 5.737 -10.119 -6.038 1.00 0.55 H new ATOM 628 N ASN A 40 3.367 -8.899 -9.674 1.00 0.56 N ATOM 629 CA ASN A 40 2.774 -8.913 -11.045 1.00 0.65 C ATOM 630 C ASN A 40 1.247 -9.094 -10.964 1.00 0.59 C ATOM 631 O ASN A 40 0.543 -8.825 -11.921 1.00 0.67 O ATOM 632 CB ASN A 40 3.384 -10.067 -11.847 1.00 0.76 C ATOM 633 CG ASN A 40 4.863 -9.779 -12.121 1.00 0.87 C ATOM 634 OD1 ASN A 40 5.726 -10.226 -11.391 1.00 0.95 O ATOM 635 ND2 ASN A 40 5.194 -9.043 -13.148 1.00 1.05 N ATOM 0 H ASN A 40 3.700 -9.804 -9.341 1.00 0.56 H new ATOM 0 HA ASN A 40 2.990 -7.965 -11.537 1.00 0.65 H new ATOM 0 HB2 ASN A 40 3.282 -11.001 -11.294 1.00 0.76 H new ATOM 0 HB3 ASN A 40 2.848 -10.193 -12.787 1.00 0.76 H new ATOM 0 HD21 ASN A 40 6.176 -8.844 -13.337 1.00 1.05 H new ATOM 0 HD22 ASN A 40 4.470 -8.668 -13.761 1.00 1.05 H new ATOM 642 N LYS A 41 0.727 -9.546 -9.839 1.00 0.51 N ATOM 643 CA LYS A 41 -0.754 -9.741 -9.717 1.00 0.50 C ATOM 644 C LYS A 41 -1.354 -8.723 -8.727 1.00 0.41 C ATOM 645 O LYS A 41 -2.495 -8.855 -8.318 1.00 0.46 O ATOM 646 CB LYS A 41 -1.043 -11.168 -9.226 1.00 0.53 C ATOM 647 CG LYS A 41 -2.235 -11.752 -9.996 1.00 0.63 C ATOM 648 CD LYS A 41 -3.452 -11.850 -9.073 1.00 0.92 C ATOM 649 CE LYS A 41 -4.431 -12.898 -9.622 1.00 1.03 C ATOM 650 NZ LYS A 41 -5.705 -12.235 -10.030 1.00 1.25 N ATOM 0 H LYS A 41 1.265 -9.786 -9.006 1.00 0.51 H new ATOM 0 HA LYS A 41 -1.210 -9.587 -10.695 1.00 0.50 H new ATOM 0 HB2 LYS A 41 -0.164 -11.796 -9.368 1.00 0.53 H new ATOM 0 HB3 LYS A 41 -1.258 -11.158 -8.158 1.00 0.53 H new ATOM 0 HG2 LYS A 41 -2.468 -11.123 -10.855 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -1.981 -12.739 -10.384 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -3.137 -12.124 -8.066 1.00 0.92 H new ATOM 0 HD3 LYS A 41 -3.945 -10.880 -9.000 1.00 0.92 H new ATOM 0 HE2 LYS A 41 -3.988 -13.411 -10.475 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -4.631 -13.655 -8.864 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -6.318 -12.926 -10.509 1.00 1.25 H new ATOM 0 HZ2 LYS A 41 -6.190 -11.867 -9.187 1.00 1.25 H new ATOM 0 HZ3 LYS A 41 -5.495 -11.450 -10.679 1.00 1.25 H new ATOM 664 N ILE A 42 -0.608 -7.707 -8.346 1.00 0.39 N ATOM 665 CA ILE A 42 -1.150 -6.686 -7.391 1.00 0.36 C ATOM 666 C ILE A 42 -1.358 -5.350 -8.122 1.00 0.41 C ATOM 667 O ILE A 42 -0.515 -4.911 -8.886 1.00 0.56 O ATOM 668 CB ILE A 42 -0.167 -6.490 -6.228 1.00 0.40 C ATOM 669 CG1 ILE A 42 -0.186 -7.729 -5.330 1.00 0.39 C ATOM 670 CG2 ILE A 42 -0.576 -5.263 -5.401 1.00 0.49 C ATOM 671 CD1 ILE A 42 1.015 -7.692 -4.382 1.00 0.49 C ATOM 0 H ILE A 42 0.350 -7.543 -8.656 1.00 0.39 H new ATOM 0 HA ILE A 42 -2.106 -7.034 -6.999 1.00 0.36 H new ATOM 0 HB ILE A 42 0.835 -6.339 -6.629 1.00 0.40 H new ATOM 0 HG12 ILE A 42 -1.113 -7.762 -4.758 1.00 0.39 H new ATOM 0 HG13 ILE A 42 -0.154 -8.633 -5.939 1.00 0.39 H new ATOM 0 HG21 ILE A 42 0.125 -5.129 -4.577 1.00 0.49 H new ATOM 0 HG22 ILE A 42 -0.564 -4.377 -6.035 1.00 0.49 H new ATOM 0 HG23 ILE A 42 -1.580 -5.411 -5.003 1.00 0.49 H new ATOM 0 HD11 ILE A 42 1.001 -8.575 -3.743 1.00 0.49 H new ATOM 0 HD12 ILE A 42 1.937 -7.679 -4.963 1.00 0.49 H new ATOM 0 HD13 ILE A 42 0.963 -6.796 -3.764 1.00 0.49 H new ATOM 683 N VAL A 43 -2.477 -4.706 -7.881 1.00 0.38 N ATOM 684 CA VAL A 43 -2.771 -3.392 -8.536 1.00 0.46 C ATOM 685 C VAL A 43 -3.102 -2.357 -7.450 1.00 0.43 C ATOM 686 O VAL A 43 -4.016 -2.541 -6.666 1.00 0.51 O ATOM 687 CB VAL A 43 -3.967 -3.549 -9.487 1.00 0.56 C ATOM 688 CG1 VAL A 43 -4.274 -2.211 -10.170 1.00 0.69 C ATOM 689 CG2 VAL A 43 -3.639 -4.599 -10.554 1.00 0.66 C ATOM 0 H VAL A 43 -3.206 -5.040 -7.251 1.00 0.38 H new ATOM 0 HA VAL A 43 -1.904 -3.059 -9.107 1.00 0.46 H new ATOM 0 HB VAL A 43 -4.837 -3.867 -8.913 1.00 0.56 H new ATOM 0 HG11 VAL A 43 -5.123 -2.332 -10.842 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -4.513 -1.463 -9.414 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -3.404 -1.885 -10.740 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -4.488 -4.710 -11.228 1.00 0.66 H new ATOM 0 HG22 VAL A 43 -2.764 -4.281 -11.121 1.00 0.66 H new ATOM 0 HG23 VAL A 43 -3.431 -5.554 -10.072 1.00 0.66 H new ATOM 699 N LEU A 44 -2.359 -1.276 -7.395 1.00 0.39 N ATOM 700 CA LEU A 44 -2.617 -0.229 -6.357 1.00 0.37 C ATOM 701 C LEU A 44 -3.400 0.936 -6.973 1.00 0.36 C ATOM 702 O LEU A 44 -3.167 1.321 -8.106 1.00 0.39 O ATOM 703 CB LEU A 44 -1.281 0.281 -5.807 1.00 0.42 C ATOM 704 CG LEU A 44 -0.629 -0.811 -4.952 1.00 0.56 C ATOM 705 CD1 LEU A 44 0.892 -0.659 -5.005 1.00 0.62 C ATOM 706 CD2 LEU A 44 -1.108 -0.676 -3.503 1.00 0.89 C ATOM 0 H LEU A 44 -1.584 -1.074 -8.026 1.00 0.39 H new ATOM 0 HA LEU A 44 -3.204 -0.662 -5.547 1.00 0.37 H new ATOM 0 HB2 LEU A 44 -0.620 0.558 -6.628 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -1.441 1.179 -5.210 1.00 0.42 H new ATOM 0 HG LEU A 44 -0.908 -1.792 -5.337 1.00 0.56 H new ATOM 0 HD11 LEU A 44 1.357 -1.435 -4.397 1.00 0.62 H new ATOM 0 HD12 LEU A 44 1.231 -0.754 -6.036 1.00 0.62 H new ATOM 0 HD13 LEU A 44 1.173 0.321 -4.619 1.00 0.62 H new ATOM 0 HD21 LEU A 44 -0.645 -1.452 -2.893 1.00 0.89 H new ATOM 0 HD22 LEU A 44 -0.828 0.304 -3.117 1.00 0.89 H new ATOM 0 HD23 LEU A 44 -2.192 -0.784 -3.467 1.00 0.89 H new ATOM 718 N GLN A 45 -4.330 1.498 -6.233 1.00 0.36 N ATOM 719 CA GLN A 45 -5.139 2.641 -6.768 1.00 0.38 C ATOM 720 C GLN A 45 -5.192 3.765 -5.726 1.00 0.40 C ATOM 721 O GLN A 45 -5.537 3.543 -4.578 1.00 0.45 O ATOM 722 CB GLN A 45 -6.570 2.177 -7.085 1.00 0.45 C ATOM 723 CG GLN A 45 -6.554 0.753 -7.657 1.00 0.51 C ATOM 724 CD GLN A 45 -7.772 0.545 -8.564 1.00 0.66 C ATOM 725 OE1 GLN A 45 -8.900 0.648 -8.121 1.00 1.03 O ATOM 726 NE2 GLN A 45 -7.590 0.252 -9.824 1.00 1.19 N ATOM 0 H GLN A 45 -4.563 1.214 -5.282 1.00 0.36 H new ATOM 0 HA GLN A 45 -4.670 3.006 -7.682 1.00 0.38 H new ATOM 0 HB2 GLN A 45 -7.178 2.206 -6.181 1.00 0.45 H new ATOM 0 HB3 GLN A 45 -7.030 2.858 -7.800 1.00 0.45 H new ATOM 0 HG2 GLN A 45 -5.636 0.588 -8.221 1.00 0.51 H new ATOM 0 HG3 GLN A 45 -6.564 0.025 -6.846 1.00 0.51 H new ATOM 0 HE21 GLN A 45 -6.644 0.166 -10.196 1.00 1.19 H new ATOM 0 HE22 GLN A 45 -8.394 0.110 -10.436 1.00 1.19 H new ATOM 735 N LYS A 46 -4.858 4.972 -6.123 1.00 0.50 N ATOM 736 CA LYS A 46 -4.890 6.122 -5.170 1.00 0.56 C ATOM 737 C LYS A 46 -6.221 6.872 -5.327 1.00 0.62 C ATOM 738 O LYS A 46 -6.323 7.829 -6.076 1.00 0.71 O ATOM 739 CB LYS A 46 -3.714 7.064 -5.468 1.00 0.62 C ATOM 740 CG LYS A 46 -2.684 6.975 -4.337 1.00 0.70 C ATOM 741 CD LYS A 46 -3.082 7.928 -3.207 1.00 0.83 C ATOM 742 CE LYS A 46 -1.823 8.511 -2.554 1.00 0.97 C ATOM 743 NZ LYS A 46 -2.083 8.785 -1.108 1.00 1.00 N ATOM 0 H LYS A 46 -4.564 5.208 -7.071 1.00 0.50 H new ATOM 0 HA LYS A 46 -4.803 5.758 -4.146 1.00 0.56 H new ATOM 0 HB2 LYS A 46 -3.251 6.795 -6.417 1.00 0.62 H new ATOM 0 HB3 LYS A 46 -4.072 8.089 -5.567 1.00 0.62 H new ATOM 0 HG2 LYS A 46 -2.627 5.953 -3.962 1.00 0.70 H new ATOM 0 HG3 LYS A 46 -1.693 7.232 -4.712 1.00 0.70 H new ATOM 0 HD2 LYS A 46 -3.705 8.732 -3.599 1.00 0.83 H new ATOM 0 HD3 LYS A 46 -3.676 7.397 -2.463 1.00 0.83 H new ATOM 0 HE2 LYS A 46 -0.992 7.813 -2.658 1.00 0.97 H new ATOM 0 HE3 LYS A 46 -1.532 9.431 -3.061 1.00 0.97 H new ATOM 0 HZ1 LYS A 46 -1.476 9.566 -0.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 -3.081 9.047 -0.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -1.874 7.933 -0.550 1.00 1.00 H new ATOM 757 N GLY A 47 -7.245 6.432 -4.626 1.00 0.81 N ATOM 758 CA GLY A 47 -8.581 7.100 -4.724 1.00 0.96 C ATOM 759 C GLY A 47 -9.258 6.695 -6.036 1.00 0.88 C ATOM 760 O GLY A 47 -10.039 5.761 -6.077 1.00 1.02 O ATOM 0 H GLY A 47 -7.209 5.636 -3.989 1.00 0.81 H new ATOM 0 HA2 GLY A 47 -9.205 6.815 -3.877 1.00 0.96 H new ATOM 0 HA3 GLY A 47 -8.462 8.183 -4.683 1.00 0.96 H new ATOM 764 N GLY A 48 -8.957 7.391 -7.108 1.00 0.79 N ATOM 765 CA GLY A 48 -9.566 7.059 -8.432 1.00 0.80 C ATOM 766 C GLY A 48 -8.483 7.099 -9.515 1.00 0.72 C ATOM 767 O GLY A 48 -8.660 7.704 -10.557 1.00 0.84 O ATOM 0 H GLY A 48 -8.311 8.180 -7.120 1.00 0.79 H new ATOM 0 HA2 GLY A 48 -10.024 6.070 -8.396 1.00 0.80 H new ATOM 0 HA3 GLY A 48 -10.359 7.769 -8.668 1.00 0.80 H new ATOM 771 N SER A 49 -7.361 6.459 -9.271 1.00 0.62 N ATOM 772 CA SER A 49 -6.250 6.451 -10.275 1.00 0.61 C ATOM 773 C SER A 49 -5.417 5.173 -10.112 1.00 0.50 C ATOM 774 O SER A 49 -5.151 4.732 -9.008 1.00 0.49 O ATOM 775 CB SER A 49 -5.356 7.678 -10.060 1.00 0.70 C ATOM 776 OG SER A 49 -4.825 7.659 -8.739 1.00 0.72 O ATOM 0 H SER A 49 -7.168 5.940 -8.414 1.00 0.62 H new ATOM 0 HA SER A 49 -6.671 6.481 -11.280 1.00 0.61 H new ATOM 0 HB2 SER A 49 -4.545 7.681 -10.788 1.00 0.70 H new ATOM 0 HB3 SER A 49 -5.930 8.591 -10.218 1.00 0.70 H new ATOM 0 HG SER A 49 -5.549 7.796 -8.093 1.00 0.72 H new ATOM 782 N VAL A 50 -5.000 4.578 -11.206 1.00 0.52 N ATOM 783 CA VAL A 50 -4.178 3.330 -11.125 1.00 0.47 C ATOM 784 C VAL A 50 -2.702 3.705 -10.947 1.00 0.42 C ATOM 785 O VAL A 50 -2.165 4.516 -11.681 1.00 0.56 O ATOM 786 CB VAL A 50 -4.353 2.509 -12.411 1.00 0.62 C ATOM 787 CG1 VAL A 50 -3.549 1.209 -12.306 1.00 0.67 C ATOM 788 CG2 VAL A 50 -5.834 2.171 -12.609 1.00 0.78 C ATOM 0 H VAL A 50 -5.195 4.905 -12.152 1.00 0.52 H new ATOM 0 HA VAL A 50 -4.507 2.733 -10.274 1.00 0.47 H new ATOM 0 HB VAL A 50 -3.995 3.093 -13.259 1.00 0.62 H new ATOM 0 HG11 VAL A 50 -3.675 0.628 -13.220 1.00 0.67 H new ATOM 0 HG12 VAL A 50 -2.494 1.444 -12.168 1.00 0.67 H new ATOM 0 HG13 VAL A 50 -3.906 0.628 -11.455 1.00 0.67 H new ATOM 0 HG21 VAL A 50 -5.955 1.588 -13.522 1.00 0.78 H new ATOM 0 HG22 VAL A 50 -6.192 1.591 -11.758 1.00 0.78 H new ATOM 0 HG23 VAL A 50 -6.410 3.093 -12.688 1.00 0.78 H new ATOM 798 N LEU A 51 -2.047 3.118 -9.973 1.00 0.34 N ATOM 799 CA LEU A 51 -0.604 3.429 -9.731 1.00 0.35 C ATOM 800 C LEU A 51 0.267 2.449 -10.524 1.00 0.35 C ATOM 801 O LEU A 51 0.049 1.250 -10.499 1.00 0.52 O ATOM 802 CB LEU A 51 -0.284 3.307 -8.235 1.00 0.42 C ATOM 803 CG LEU A 51 -1.347 4.037 -7.402 1.00 0.39 C ATOM 804 CD1 LEU A 51 -0.977 3.956 -5.921 1.00 0.50 C ATOM 805 CD2 LEU A 51 -1.424 5.510 -7.821 1.00 0.45 C ATOM 0 H LEU A 51 -2.453 2.435 -9.334 1.00 0.34 H new ATOM 0 HA LEU A 51 -0.397 4.449 -10.056 1.00 0.35 H new ATOM 0 HB2 LEU A 51 -0.246 2.256 -7.949 1.00 0.42 H new ATOM 0 HB3 LEU A 51 0.700 3.728 -8.031 1.00 0.42 H new ATOM 0 HG LEU A 51 -2.315 3.564 -7.569 1.00 0.39 H new ATOM 0 HD11 LEU A 51 -1.731 4.474 -5.329 1.00 0.50 H new ATOM 0 HD12 LEU A 51 -0.930 2.911 -5.614 1.00 0.50 H new ATOM 0 HD13 LEU A 51 -0.006 4.425 -5.762 1.00 0.50 H new ATOM 0 HD21 LEU A 51 -2.181 6.019 -7.224 1.00 0.45 H new ATOM 0 HD22 LEU A 51 -0.456 5.985 -7.661 1.00 0.45 H new ATOM 0 HD23 LEU A 51 -1.690 5.575 -8.876 1.00 0.45 H new ATOM 817 N LYS A 52 1.248 2.956 -11.231 1.00 0.33 N ATOM 818 CA LYS A 52 2.140 2.071 -12.040 1.00 0.34 C ATOM 819 C LYS A 52 3.541 2.033 -11.423 1.00 0.28 C ATOM 820 O LYS A 52 4.013 3.008 -10.864 1.00 0.30 O ATOM 821 CB LYS A 52 2.227 2.612 -13.469 1.00 0.41 C ATOM 822 CG LYS A 52 1.417 1.713 -14.405 1.00 0.71 C ATOM 823 CD LYS A 52 2.372 0.831 -15.213 1.00 0.88 C ATOM 824 CE LYS A 52 1.807 -0.588 -15.309 1.00 1.37 C ATOM 825 NZ LYS A 52 2.922 -1.552 -15.528 1.00 1.68 N ATOM 0 H LYS A 52 1.469 3.950 -11.282 1.00 0.33 H new ATOM 0 HA LYS A 52 1.729 1.062 -12.052 1.00 0.34 H new ATOM 0 HB2 LYS A 52 1.845 3.632 -13.507 1.00 0.41 H new ATOM 0 HB3 LYS A 52 3.267 2.649 -13.793 1.00 0.41 H new ATOM 0 HG2 LYS A 52 0.731 1.093 -13.828 1.00 0.71 H new ATOM 0 HG3 LYS A 52 0.810 2.321 -15.076 1.00 0.71 H new ATOM 0 HD2 LYS A 52 2.509 1.246 -16.211 1.00 0.88 H new ATOM 0 HD3 LYS A 52 3.353 0.811 -14.739 1.00 0.88 H new ATOM 0 HE2 LYS A 52 1.269 -0.839 -14.395 1.00 1.37 H new ATOM 0 HE3 LYS A 52 1.091 -0.651 -16.128 1.00 1.37 H new ATOM 0 HZ1 LYS A 52 2.545 -2.521 -15.543 1.00 1.68 H new ATOM 0 HZ2 LYS A 52 3.385 -1.347 -16.436 1.00 1.68 H new ATOM 0 HZ3 LYS A 52 3.615 -1.462 -14.758 1.00 1.68 H new ATOM 839 N ASP A 53 4.208 0.906 -11.532 1.00 0.29 N ATOM 840 CA ASP A 53 5.589 0.770 -10.966 1.00 0.30 C ATOM 841 C ASP A 53 6.545 1.767 -11.643 1.00 0.33 C ATOM 842 O ASP A 53 7.543 2.163 -11.066 1.00 0.40 O ATOM 843 CB ASP A 53 6.097 -0.662 -11.193 1.00 0.36 C ATOM 844 CG ASP A 53 6.182 -0.960 -12.697 1.00 0.42 C ATOM 845 OD1 ASP A 53 5.169 -1.332 -13.268 1.00 0.52 O ATOM 846 OD2 ASP A 53 7.260 -0.810 -13.251 1.00 0.54 O ATOM 0 H ASP A 53 3.851 0.069 -11.993 1.00 0.29 H new ATOM 0 HA ASP A 53 5.555 0.984 -9.898 1.00 0.30 H new ATOM 0 HB2 ASP A 53 7.078 -0.785 -10.734 1.00 0.36 H new ATOM 0 HB3 ASP A 53 5.428 -1.374 -10.711 1.00 0.36 H new ATOM 851 N HIS A 54 6.247 2.170 -12.859 1.00 0.35 N ATOM 852 CA HIS A 54 7.129 3.136 -13.586 1.00 0.43 C ATOM 853 C HIS A 54 7.076 4.527 -12.928 1.00 0.42 C ATOM 854 O HIS A 54 7.909 5.372 -13.199 1.00 0.55 O ATOM 855 CB HIS A 54 6.661 3.248 -15.043 1.00 0.49 C ATOM 856 CG HIS A 54 6.992 1.978 -15.778 1.00 0.59 C ATOM 857 ND1 HIS A 54 6.127 0.895 -15.809 1.00 0.76 N ATOM 858 CD2 HIS A 54 8.087 1.603 -16.516 1.00 0.86 C ATOM 859 CE1 HIS A 54 6.710 -0.070 -16.542 1.00 0.87 C ATOM 860 NE2 HIS A 54 7.907 0.310 -16.997 1.00 0.92 N ATOM 0 H HIS A 54 5.424 1.867 -13.380 1.00 0.35 H new ATOM 0 HA HIS A 54 8.155 2.770 -13.546 1.00 0.43 H new ATOM 0 HB2 HIS A 54 5.587 3.431 -15.078 1.00 0.49 H new ATOM 0 HB3 HIS A 54 7.145 4.097 -15.527 1.00 0.49 H new ATOM 0 HD2 HIS A 54 8.956 2.218 -16.696 1.00 0.86 H new ATOM 0 HE1 HIS A 54 6.265 -1.034 -16.739 1.00 0.87 H new ATOM 0 HE2 HIS A 54 8.551 -0.232 -17.573 1.00 0.92 H new ATOM 868 N ILE A 55 6.109 4.773 -12.067 1.00 0.34 N ATOM 869 CA ILE A 55 6.011 6.108 -11.398 1.00 0.35 C ATOM 870 C ILE A 55 6.408 5.971 -9.923 1.00 0.31 C ATOM 871 O ILE A 55 6.128 4.972 -9.283 1.00 0.32 O ATOM 872 CB ILE A 55 4.573 6.633 -11.507 1.00 0.38 C ATOM 873 CG1 ILE A 55 4.214 6.838 -12.984 1.00 0.48 C ATOM 874 CG2 ILE A 55 4.454 7.971 -10.772 1.00 0.42 C ATOM 875 CD1 ILE A 55 3.536 5.581 -13.533 1.00 0.55 C ATOM 0 H ILE A 55 5.386 4.104 -11.802 1.00 0.34 H new ATOM 0 HA ILE A 55 6.685 6.812 -11.886 1.00 0.35 H new ATOM 0 HB ILE A 55 3.893 5.909 -11.059 1.00 0.38 H new ATOM 0 HG12 ILE A 55 3.550 7.696 -13.090 1.00 0.48 H new ATOM 0 HG13 ILE A 55 5.114 7.058 -13.559 1.00 0.48 H new ATOM 0 HG21 ILE A 55 3.432 8.340 -10.852 1.00 0.42 H new ATOM 0 HG22 ILE A 55 4.709 7.833 -9.721 1.00 0.42 H new ATOM 0 HG23 ILE A 55 5.137 8.694 -11.219 1.00 0.42 H new ATOM 0 HD11 ILE A 55 3.283 5.733 -14.582 1.00 0.55 H new ATOM 0 HD12 ILE A 55 4.214 4.733 -13.442 1.00 0.55 H new ATOM 0 HD13 ILE A 55 2.627 5.381 -12.966 1.00 0.55 H new ATOM 887 N SER A 56 7.063 6.974 -9.385 1.00 0.33 N ATOM 888 CA SER A 56 7.493 6.922 -7.955 1.00 0.31 C ATOM 889 C SER A 56 6.304 7.220 -7.033 1.00 0.29 C ATOM 890 O SER A 56 5.370 7.909 -7.408 1.00 0.33 O ATOM 891 CB SER A 56 8.594 7.957 -7.715 1.00 0.35 C ATOM 892 OG SER A 56 9.514 7.448 -6.758 1.00 0.67 O ATOM 0 H SER A 56 7.318 7.829 -9.879 1.00 0.33 H new ATOM 0 HA SER A 56 7.872 5.924 -7.736 1.00 0.31 H new ATOM 0 HB2 SER A 56 9.109 8.181 -8.649 1.00 0.35 H new ATOM 0 HB3 SER A 56 8.160 8.891 -7.359 1.00 0.35 H new ATOM 0 HG SER A 56 10.222 8.107 -6.602 1.00 0.67 H new ATOM 898 N LEU A 57 6.341 6.711 -5.822 1.00 0.30 N ATOM 899 CA LEU A 57 5.228 6.961 -4.853 1.00 0.33 C ATOM 900 C LEU A 57 5.134 8.464 -4.564 1.00 0.37 C ATOM 901 O LEU A 57 4.052 9.003 -4.406 1.00 0.42 O ATOM 902 CB LEU A 57 5.497 6.202 -3.548 1.00 0.35 C ATOM 903 CG LEU A 57 5.296 4.699 -3.773 1.00 0.38 C ATOM 904 CD1 LEU A 57 5.966 3.917 -2.641 1.00 0.45 C ATOM 905 CD2 LEU A 57 3.797 4.380 -3.794 1.00 0.48 C ATOM 0 H LEU A 57 7.099 6.130 -5.463 1.00 0.30 H new ATOM 0 HA LEU A 57 4.289 6.613 -5.282 1.00 0.33 H new ATOM 0 HB2 LEU A 57 6.514 6.396 -3.207 1.00 0.35 H new ATOM 0 HB3 LEU A 57 4.825 6.555 -2.766 1.00 0.35 H new ATOM 0 HG LEU A 57 5.742 4.414 -4.726 1.00 0.38 H new ATOM 0 HD11 LEU A 57 5.822 2.849 -2.802 1.00 0.45 H new ATOM 0 HD12 LEU A 57 7.033 4.141 -2.625 1.00 0.45 H new ATOM 0 HD13 LEU A 57 5.521 4.203 -1.688 1.00 0.45 H new ATOM 0 HD21 LEU A 57 3.655 3.311 -3.954 1.00 0.48 H new ATOM 0 HD22 LEU A 57 3.351 4.667 -2.842 1.00 0.48 H new ATOM 0 HD23 LEU A 57 3.318 4.935 -4.601 1.00 0.48 H new ATOM 917 N GLU A 58 6.262 9.144 -4.507 1.00 0.40 N ATOM 918 CA GLU A 58 6.257 10.617 -4.244 1.00 0.47 C ATOM 919 C GLU A 58 5.458 11.337 -5.341 1.00 0.38 C ATOM 920 O GLU A 58 4.807 12.334 -5.084 1.00 0.41 O ATOM 921 CB GLU A 58 7.699 11.139 -4.236 1.00 0.59 C ATOM 922 CG GLU A 58 7.769 12.456 -3.455 1.00 0.69 C ATOM 923 CD GLU A 58 7.620 12.179 -1.955 1.00 1.02 C ATOM 924 OE1 GLU A 58 8.620 11.868 -1.327 1.00 1.32 O ATOM 925 OE2 GLU A 58 6.508 12.283 -1.460 1.00 1.17 O ATOM 0 H GLU A 58 7.188 8.735 -4.633 1.00 0.40 H new ATOM 0 HA GLU A 58 5.794 10.809 -3.276 1.00 0.47 H new ATOM 0 HB2 GLU A 58 8.360 10.401 -3.782 1.00 0.59 H new ATOM 0 HB3 GLU A 58 8.046 11.292 -5.258 1.00 0.59 H new ATOM 0 HG2 GLU A 58 8.719 12.955 -3.649 1.00 0.69 H new ATOM 0 HG3 GLU A 58 6.981 13.130 -3.790 1.00 0.69 H new ATOM 932 N ASP A 59 5.495 10.830 -6.557 1.00 0.33 N ATOM 933 CA ASP A 59 4.729 11.468 -7.674 1.00 0.32 C ATOM 934 C ASP A 59 3.228 11.377 -7.373 1.00 0.33 C ATOM 935 O ASP A 59 2.499 12.341 -7.525 1.00 0.41 O ATOM 936 CB ASP A 59 5.035 10.741 -8.990 1.00 0.40 C ATOM 937 CG ASP A 59 6.019 11.570 -9.819 1.00 1.00 C ATOM 938 OD1 ASP A 59 5.565 12.419 -10.570 1.00 1.62 O ATOM 939 OD2 ASP A 59 7.211 11.341 -9.690 1.00 1.58 O ATOM 0 H ASP A 59 6.025 9.999 -6.820 1.00 0.33 H new ATOM 0 HA ASP A 59 5.021 12.514 -7.766 1.00 0.32 H new ATOM 0 HB2 ASP A 59 5.456 9.757 -8.784 1.00 0.40 H new ATOM 0 HB3 ASP A 59 4.115 10.582 -9.552 1.00 0.40 H new ATOM 944 N TYR A 60 2.768 10.227 -6.931 1.00 0.32 N ATOM 945 CA TYR A 60 1.319 10.060 -6.597 1.00 0.40 C ATOM 946 C TYR A 60 0.998 10.800 -5.285 1.00 0.44 C ATOM 947 O TYR A 60 -0.155 11.058 -4.985 1.00 0.54 O ATOM 948 CB TYR A 60 0.999 8.569 -6.433 1.00 0.43 C ATOM 949 CG TYR A 60 1.021 7.889 -7.784 1.00 0.42 C ATOM 950 CD1 TYR A 60 0.115 8.277 -8.780 1.00 0.47 C ATOM 951 CD2 TYR A 60 1.945 6.869 -8.041 1.00 0.50 C ATOM 952 CE1 TYR A 60 0.133 7.646 -10.029 1.00 0.55 C ATOM 953 CE2 TYR A 60 1.964 6.238 -9.290 1.00 0.57 C ATOM 954 CZ TYR A 60 1.058 6.626 -10.284 1.00 0.58 C ATOM 955 OH TYR A 60 1.074 6.003 -11.515 1.00 0.69 O ATOM 0 H TYR A 60 3.339 9.394 -6.788 1.00 0.32 H new ATOM 0 HA TYR A 60 0.715 10.476 -7.403 1.00 0.40 H new ATOM 0 HB2 TYR A 60 1.726 8.102 -5.769 1.00 0.43 H new ATOM 0 HB3 TYR A 60 0.020 8.447 -5.970 1.00 0.43 H new ATOM 0 HD1 TYR A 60 -0.598 9.064 -8.584 1.00 0.47 H new ATOM 0 HD2 TYR A 60 2.644 6.569 -7.274 1.00 0.50 H new ATOM 0 HE1 TYR A 60 -0.566 7.946 -10.796 1.00 0.55 H new ATOM 0 HE2 TYR A 60 2.678 5.452 -9.487 1.00 0.57 H new ATOM 0 HH TYR A 60 0.775 6.632 -12.204 1.00 0.69 H new ATOM 965 N GLU A 61 2.012 11.140 -4.511 1.00 0.43 N ATOM 966 CA GLU A 61 1.806 11.866 -3.216 1.00 0.52 C ATOM 967 C GLU A 61 1.280 10.890 -2.151 1.00 0.47 C ATOM 968 O GLU A 61 0.174 11.024 -1.654 1.00 0.58 O ATOM 969 CB GLU A 61 0.828 13.036 -3.413 1.00 0.68 C ATOM 970 CG GLU A 61 1.289 14.237 -2.580 1.00 0.93 C ATOM 971 CD GLU A 61 2.502 14.895 -3.246 1.00 1.24 C ATOM 972 OE1 GLU A 61 2.300 15.727 -4.117 1.00 1.41 O ATOM 973 OE2 GLU A 61 3.616 14.559 -2.873 1.00 1.67 O ATOM 0 H GLU A 61 2.988 10.939 -4.730 1.00 0.43 H new ATOM 0 HA GLU A 61 2.759 12.272 -2.877 1.00 0.52 H new ATOM 0 HB2 GLU A 61 0.779 13.309 -4.467 1.00 0.68 H new ATOM 0 HB3 GLU A 61 -0.177 12.738 -3.114 1.00 0.68 H new ATOM 0 HG2 GLU A 61 0.478 14.959 -2.486 1.00 0.93 H new ATOM 0 HG3 GLU A 61 1.547 13.914 -1.571 1.00 0.93 H new ATOM 980 N VAL A 62 2.081 9.913 -1.796 1.00 0.42 N ATOM 981 CA VAL A 62 1.661 8.920 -0.760 1.00 0.40 C ATOM 982 C VAL A 62 2.144 9.406 0.614 1.00 0.44 C ATOM 983 O VAL A 62 3.332 9.545 0.849 1.00 0.65 O ATOM 984 CB VAL A 62 2.279 7.552 -1.081 1.00 0.41 C ATOM 985 CG1 VAL A 62 1.885 6.538 -0.003 1.00 0.47 C ATOM 986 CG2 VAL A 62 1.770 7.067 -2.443 1.00 0.44 C ATOM 0 H VAL A 62 3.013 9.761 -2.183 1.00 0.42 H new ATOM 0 HA VAL A 62 0.575 8.823 -0.752 1.00 0.40 H new ATOM 0 HB VAL A 62 3.364 7.648 -1.108 1.00 0.41 H new ATOM 0 HG11 VAL A 62 2.326 5.569 -0.236 1.00 0.47 H new ATOM 0 HG12 VAL A 62 2.248 6.878 0.967 1.00 0.47 H new ATOM 0 HG13 VAL A 62 0.800 6.444 0.029 1.00 0.47 H new ATOM 0 HG21 VAL A 62 2.209 6.096 -2.671 1.00 0.44 H new ATOM 0 HG22 VAL A 62 0.684 6.977 -2.415 1.00 0.44 H new ATOM 0 HG23 VAL A 62 2.054 7.783 -3.214 1.00 0.44 H new ATOM 996 N HIS A 63 1.227 9.675 1.513 1.00 0.38 N ATOM 997 CA HIS A 63 1.618 10.165 2.872 1.00 0.46 C ATOM 998 C HIS A 63 1.633 9.001 3.871 1.00 0.38 C ATOM 999 O HIS A 63 1.166 7.912 3.583 1.00 0.37 O ATOM 1000 CB HIS A 63 0.612 11.224 3.336 1.00 0.58 C ATOM 1001 CG HIS A 63 0.830 12.497 2.564 1.00 0.91 C ATOM 1002 ND1 HIS A 63 0.217 12.736 1.344 1.00 1.26 N ATOM 1003 CD2 HIS A 63 1.596 13.606 2.823 1.00 1.23 C ATOM 1004 CE1 HIS A 63 0.619 13.947 0.920 1.00 1.56 C ATOM 1005 NE2 HIS A 63 1.460 14.522 1.784 1.00 1.55 N ATOM 0 H HIS A 63 0.223 9.576 1.363 1.00 0.38 H new ATOM 0 HA HIS A 63 2.616 10.600 2.821 1.00 0.46 H new ATOM 0 HB2 HIS A 63 -0.406 10.865 3.185 1.00 0.58 H new ATOM 0 HB3 HIS A 63 0.730 11.409 4.404 1.00 0.58 H new ATOM 0 HD2 HIS A 63 2.211 13.747 3.700 1.00 1.23 H new ATOM 0 HE1 HIS A 63 0.300 14.400 -0.007 1.00 1.56 H new ATOM 0 HE2 HIS A 63 1.906 15.435 1.700 1.00 1.55 H new ATOM 1013 N ASP A 64 2.171 9.229 5.046 1.00 0.41 N ATOM 1014 CA ASP A 64 2.227 8.149 6.080 1.00 0.39 C ATOM 1015 C ASP A 64 0.817 7.876 6.619 1.00 0.36 C ATOM 1016 O ASP A 64 0.023 8.784 6.798 1.00 0.40 O ATOM 1017 CB ASP A 64 3.151 8.578 7.231 1.00 0.46 C ATOM 1018 CG ASP A 64 2.566 9.797 7.958 1.00 0.51 C ATOM 1019 OD1 ASP A 64 2.749 10.901 7.471 1.00 0.66 O ATOM 1020 OD2 ASP A 64 1.946 9.604 8.993 1.00 0.58 O ATOM 0 H ASP A 64 2.575 10.120 5.333 1.00 0.41 H new ATOM 0 HA ASP A 64 2.620 7.239 5.627 1.00 0.39 H new ATOM 0 HB2 ASP A 64 3.276 7.753 7.933 1.00 0.46 H new ATOM 0 HB3 ASP A 64 4.140 8.818 6.842 1.00 0.46 H new ATOM 1025 N GLN A 65 0.503 6.624 6.870 1.00 0.35 N ATOM 1026 CA GLN A 65 -0.853 6.258 7.394 1.00 0.38 C ATOM 1027 C GLN A 65 -1.935 6.666 6.377 1.00 0.35 C ATOM 1028 O GLN A 65 -3.043 7.020 6.744 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.090 6.966 8.737 1.00 0.47 C ATOM 1030 CG GLN A 65 -1.356 5.928 9.832 1.00 0.53 C ATOM 1031 CD GLN A 65 -0.133 5.016 9.991 1.00 0.69 C ATOM 1032 OE1 GLN A 65 -0.226 3.820 9.804 1.00 0.87 O ATOM 1033 NE2 GLN A 65 1.018 5.535 10.332 1.00 0.87 N ATOM 0 H GLN A 65 1.134 5.835 6.733 1.00 0.35 H new ATOM 0 HA GLN A 65 -0.906 5.180 7.545 1.00 0.38 H new ATOM 0 HB2 GLN A 65 -0.221 7.569 8.999 1.00 0.47 H new ATOM 0 HB3 GLN A 65 -1.937 7.647 8.655 1.00 0.47 H new ATOM 0 HG2 GLN A 65 -1.573 6.429 10.776 1.00 0.53 H new ATOM 0 HG3 GLN A 65 -2.234 5.334 9.577 1.00 0.53 H new ATOM 0 HE21 GLN A 65 1.098 6.540 10.489 1.00 0.87 H new ATOM 0 HE22 GLN A 65 1.836 4.935 10.440 1.00 0.87 H new ATOM 1042 N THR A 66 -1.620 6.612 5.101 1.00 0.30 N ATOM 1043 CA THR A 66 -2.622 6.991 4.057 1.00 0.31 C ATOM 1044 C THR A 66 -3.456 5.761 3.666 1.00 0.30 C ATOM 1045 O THR A 66 -3.052 4.629 3.877 1.00 0.34 O ATOM 1046 CB THR A 66 -1.895 7.553 2.822 1.00 0.34 C ATOM 1047 OG1 THR A 66 -2.842 8.157 1.951 1.00 0.43 O ATOM 1048 CG2 THR A 66 -1.158 6.434 2.078 1.00 0.33 C ATOM 0 H THR A 66 -0.711 6.321 4.741 1.00 0.30 H new ATOM 0 HA THR A 66 -3.288 7.756 4.456 1.00 0.31 H new ATOM 0 HB THR A 66 -1.167 8.295 3.150 1.00 0.34 H new ATOM 0 HG1 THR A 66 -2.415 8.891 1.461 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.650 6.849 1.208 1.00 0.33 H new ATOM 0 HG22 THR A 66 -0.425 5.977 2.743 1.00 0.33 H new ATOM 0 HG23 THR A 66 -1.875 5.679 1.754 1.00 0.33 H new ATOM 1056 N ASN A 67 -4.618 5.979 3.099 1.00 0.33 N ATOM 1057 CA ASN A 67 -5.488 4.836 2.690 1.00 0.34 C ATOM 1058 C ASN A 67 -5.340 4.591 1.185 1.00 0.31 C ATOM 1059 O ASN A 67 -5.619 5.457 0.374 1.00 0.46 O ATOM 1060 CB ASN A 67 -6.947 5.161 3.018 1.00 0.44 C ATOM 1061 CG ASN A 67 -7.316 4.554 4.372 1.00 0.68 C ATOM 1062 OD1 ASN A 67 -7.051 5.137 5.404 1.00 0.99 O ATOM 1063 ND2 ASN A 67 -7.921 3.397 4.415 1.00 1.06 N ATOM 0 H ASN A 67 -5.001 6.904 2.902 1.00 0.33 H new ATOM 0 HA ASN A 67 -5.187 3.939 3.232 1.00 0.34 H new ATOM 0 HB2 ASN A 67 -7.093 6.241 3.040 1.00 0.44 H new ATOM 0 HB3 ASN A 67 -7.602 4.767 2.241 1.00 0.44 H new ATOM 0 HD21 ASN A 67 -8.170 2.985 5.314 1.00 1.06 H new ATOM 0 HD22 ASN A 67 -8.144 2.906 3.549 1.00 1.06 H new ATOM 1070 N LEU A 68 -4.900 3.414 0.814 1.00 0.32 N ATOM 1071 CA LEU A 68 -4.725 3.087 -0.634 1.00 0.32 C ATOM 1072 C LEU A 68 -5.699 1.971 -1.033 1.00 0.32 C ATOM 1073 O LEU A 68 -6.241 1.275 -0.191 1.00 0.35 O ATOM 1074 CB LEU A 68 -3.286 2.619 -0.878 1.00 0.37 C ATOM 1075 CG LEU A 68 -2.490 3.733 -1.561 1.00 0.65 C ATOM 1076 CD1 LEU A 68 -1.122 3.873 -0.889 1.00 0.83 C ATOM 1077 CD2 LEU A 68 -2.295 3.385 -3.040 1.00 0.98 C ATOM 0 H LEU A 68 -4.653 2.661 1.457 1.00 0.32 H new ATOM 0 HA LEU A 68 -4.929 3.975 -1.233 1.00 0.32 H new ATOM 0 HB2 LEU A 68 -2.816 2.350 0.068 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -3.285 1.724 -1.500 1.00 0.37 H new ATOM 0 HG LEU A 68 -3.035 4.673 -1.474 1.00 0.65 H new ATOM 0 HD11 LEU A 68 -0.557 4.667 -1.377 1.00 0.83 H new ATOM 0 HD12 LEU A 68 -1.257 4.119 0.164 1.00 0.83 H new ATOM 0 HD13 LEU A 68 -0.576 2.933 -0.975 1.00 0.83 H new ATOM 0 HD21 LEU A 68 -1.728 4.177 -3.529 1.00 0.98 H new ATOM 0 HD22 LEU A 68 -1.750 2.445 -3.124 1.00 0.98 H new ATOM 0 HD23 LEU A 68 -3.268 3.285 -3.522 1.00 0.98 H new ATOM 1089 N GLU A 69 -5.924 1.797 -2.313 1.00 0.35 N ATOM 1090 CA GLU A 69 -6.858 0.730 -2.781 1.00 0.36 C ATOM 1091 C GLU A 69 -6.053 -0.463 -3.311 1.00 0.35 C ATOM 1092 O GLU A 69 -5.050 -0.296 -3.984 1.00 0.46 O ATOM 1093 CB GLU A 69 -7.750 1.284 -3.895 1.00 0.39 C ATOM 1094 CG GLU A 69 -9.209 0.898 -3.627 1.00 0.46 C ATOM 1095 CD GLU A 69 -9.612 -0.258 -4.545 1.00 0.52 C ATOM 1096 OE1 GLU A 69 -9.301 -1.391 -4.213 1.00 0.55 O ATOM 1097 OE2 GLU A 69 -10.225 0.008 -5.566 1.00 0.86 O ATOM 0 H GLU A 69 -5.498 2.352 -3.055 1.00 0.35 H new ATOM 0 HA GLU A 69 -7.480 0.403 -1.948 1.00 0.36 H new ATOM 0 HB2 GLU A 69 -7.654 2.369 -3.946 1.00 0.39 H new ATOM 0 HB3 GLU A 69 -7.431 0.890 -4.860 1.00 0.39 H new ATOM 0 HG2 GLU A 69 -9.333 0.607 -2.584 1.00 0.46 H new ATOM 0 HG3 GLU A 69 -9.860 1.755 -3.798 1.00 0.46 H new ATOM 1104 N LEU A 70 -6.489 -1.663 -3.009 1.00 0.34 N ATOM 1105 CA LEU A 70 -5.763 -2.880 -3.484 1.00 0.34 C ATOM 1106 C LEU A 70 -6.652 -3.666 -4.455 1.00 0.34 C ATOM 1107 O LEU A 70 -7.816 -3.913 -4.192 1.00 0.43 O ATOM 1108 CB LEU A 70 -5.401 -3.760 -2.279 1.00 0.36 C ATOM 1109 CG LEU A 70 -4.710 -5.048 -2.752 1.00 0.33 C ATOM 1110 CD1 LEU A 70 -3.468 -4.702 -3.582 1.00 0.39 C ATOM 1111 CD2 LEU A 70 -4.290 -5.874 -1.533 1.00 0.39 C ATOM 0 H LEU A 70 -7.322 -1.851 -2.451 1.00 0.34 H new ATOM 0 HA LEU A 70 -4.851 -2.581 -4.000 1.00 0.34 H new ATOM 0 HB2 LEU A 70 -4.743 -3.212 -1.604 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -6.301 -4.007 -1.716 1.00 0.36 H new ATOM 0 HG LEU A 70 -5.404 -5.621 -3.367 1.00 0.33 H new ATOM 0 HD11 LEU A 70 -2.984 -5.621 -3.913 1.00 0.39 H new ATOM 0 HD12 LEU A 70 -3.763 -4.114 -4.451 1.00 0.39 H new ATOM 0 HD13 LEU A 70 -2.772 -4.125 -2.973 1.00 0.39 H new ATOM 0 HD21 LEU A 70 -3.799 -6.789 -1.865 1.00 0.39 H new ATOM 0 HD22 LEU A 70 -3.600 -5.294 -0.921 1.00 0.39 H new ATOM 0 HD23 LEU A 70 -5.172 -6.128 -0.944 1.00 0.39 H new ATOM 1123 N TYR A 71 -6.101 -4.061 -5.575 1.00 0.38 N ATOM 1124 CA TYR A 71 -6.883 -4.837 -6.584 1.00 0.42 C ATOM 1125 C TYR A 71 -6.043 -6.025 -7.067 1.00 0.41 C ATOM 1126 O TYR A 71 -4.826 -5.971 -7.075 1.00 0.48 O ATOM 1127 CB TYR A 71 -7.227 -3.930 -7.772 1.00 0.51 C ATOM 1128 CG TYR A 71 -8.728 -3.782 -7.884 1.00 0.56 C ATOM 1129 CD1 TYR A 71 -9.389 -2.778 -7.165 1.00 0.76 C ATOM 1130 CD2 TYR A 71 -9.457 -4.648 -8.709 1.00 0.96 C ATOM 1131 CE1 TYR A 71 -10.778 -2.641 -7.271 1.00 0.86 C ATOM 1132 CE2 TYR A 71 -10.846 -4.510 -8.813 1.00 1.09 C ATOM 1133 CZ TYR A 71 -11.506 -3.507 -8.095 1.00 0.86 C ATOM 1134 OH TYR A 71 -12.875 -3.372 -8.198 1.00 1.05 O ATOM 0 H TYR A 71 -5.132 -3.877 -5.836 1.00 0.38 H new ATOM 0 HA TYR A 71 -7.805 -5.203 -6.133 1.00 0.42 H new ATOM 0 HB2 TYR A 71 -6.764 -2.952 -7.641 1.00 0.51 H new ATOM 0 HB3 TYR A 71 -6.824 -4.352 -8.693 1.00 0.51 H new ATOM 0 HD1 TYR A 71 -8.827 -2.110 -6.529 1.00 0.76 H new ATOM 0 HD2 TYR A 71 -8.948 -5.422 -9.264 1.00 0.96 H new ATOM 0 HE1 TYR A 71 -11.288 -1.867 -6.717 1.00 0.86 H new ATOM 0 HE2 TYR A 71 -11.409 -5.178 -9.448 1.00 1.09 H new ATOM 0 HH TYR A 71 -13.225 -4.051 -8.811 1.00 1.05 H new ATOM 1144 N TYR A 72 -6.684 -7.096 -7.465 1.00 0.48 N ATOM 1145 CA TYR A 72 -5.925 -8.292 -7.945 1.00 0.51 C ATOM 1146 C TYR A 72 -6.134 -8.464 -9.450 1.00 0.60 C ATOM 1147 O TYR A 72 -7.248 -8.622 -9.919 1.00 0.75 O ATOM 1148 CB TYR A 72 -6.414 -9.543 -7.205 1.00 0.52 C ATOM 1149 CG TYR A 72 -6.144 -9.395 -5.726 1.00 0.47 C ATOM 1150 CD1 TYR A 72 -4.875 -9.006 -5.278 1.00 0.53 C ATOM 1151 CD2 TYR A 72 -7.166 -9.643 -4.802 1.00 0.52 C ATOM 1152 CE1 TYR A 72 -4.629 -8.865 -3.909 1.00 0.55 C ATOM 1153 CE2 TYR A 72 -6.920 -9.501 -3.432 1.00 0.53 C ATOM 1154 CZ TYR A 72 -5.651 -9.113 -2.984 1.00 0.50 C ATOM 1155 OH TYR A 72 -5.410 -8.972 -1.632 1.00 0.57 O ATOM 0 H TYR A 72 -7.699 -7.194 -7.478 1.00 0.48 H new ATOM 0 HA TYR A 72 -4.863 -8.150 -7.746 1.00 0.51 H new ATOM 0 HB2 TYR A 72 -7.481 -9.686 -7.378 1.00 0.52 H new ATOM 0 HB3 TYR A 72 -5.907 -10.427 -7.591 1.00 0.52 H new ATOM 0 HD1 TYR A 72 -4.086 -8.815 -5.991 1.00 0.53 H new ATOM 0 HD2 TYR A 72 -8.144 -9.944 -5.147 1.00 0.52 H new ATOM 0 HE1 TYR A 72 -3.650 -8.565 -3.565 1.00 0.55 H new ATOM 0 HE2 TYR A 72 -7.709 -9.691 -2.719 1.00 0.53 H new ATOM 0 HH TYR A 72 -5.938 -8.224 -1.282 1.00 0.57 H new ATOM 1165 N LEU A 73 -5.066 -8.433 -10.208 1.00 0.62 N ATOM 1166 CA LEU A 73 -5.185 -8.592 -11.685 1.00 0.73 C ATOM 1167 C LEU A 73 -3.999 -9.417 -12.208 1.00 1.13 C ATOM 1168 O LEU A 73 -4.229 -10.536 -12.637 1.00 1.48 O ATOM 1169 CB LEU A 73 -5.203 -7.207 -12.345 1.00 1.01 C ATOM 1170 CG LEU A 73 -6.279 -7.170 -13.433 1.00 1.42 C ATOM 1171 CD1 LEU A 73 -7.354 -6.145 -13.059 1.00 2.24 C ATOM 1172 CD2 LEU A 73 -5.641 -6.777 -14.769 1.00 1.69 C ATOM 1173 OXT LEU A 73 -2.881 -8.921 -12.168 1.00 1.50 O ATOM 0 H LEU A 73 -4.115 -8.304 -9.863 1.00 0.62 H new ATOM 0 HA LEU A 73 -6.111 -9.113 -11.928 1.00 0.73 H new ATOM 0 HB2 LEU A 73 -5.401 -6.439 -11.597 1.00 1.01 H new ATOM 0 HB3 LEU A 73 -4.227 -6.986 -12.777 1.00 1.01 H new ATOM 0 HG LEU A 73 -6.736 -8.156 -13.524 1.00 1.42 H new ATOM 0 HD11 LEU A 73 -8.119 -6.120 -13.835 1.00 2.24 H new ATOM 0 HD12 LEU A 73 -7.809 -6.426 -12.109 1.00 2.24 H new ATOM 0 HD13 LEU A 73 -6.900 -5.159 -12.966 1.00 2.24 H new ATOM 0 HD21 LEU A 73 -6.407 -6.751 -15.544 1.00 1.69 H new ATOM 0 HD22 LEU A 73 -5.183 -5.792 -14.678 1.00 1.69 H new ATOM 0 HD23 LEU A 73 -4.879 -7.508 -15.037 1.00 1.69 H new TER 1185 LEU A 73