USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot -25:sc= 0.583 USER MOD Set 1.2: A 72 TYR OH : rot -121:sc= 0.061 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -122:sc= -0.056 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -2.83 K(o=-2.9,f=-11!) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= -1.17! USER MOD Set 3.3: A 55 ASN : amide:sc= -0.322 K(o=-1.5,f=-2.9) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.744 USER MOD Set 4.2: A 62 THR OG1 : rot -60:sc= 1.09 USER MOD Set 5.1: A 12 ASN : amide:sc= -0.371! X(o=0.57!,f=0.17) USER MOD Set 5.2: A 14 THR OG1 : rot 75:sc= 0.944 USER MOD Set 5.3: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.0707 (180deg=-0.341) USER MOD Single : A 16 HIS : no HD1:sc= -0.575 X(o=-0.58,f=-0.091) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0181 (180deg=-0.148) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 51:sc= 0.185! USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0723 (180deg=-0.405) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.491 K(o=0.49,f=-0.086) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.99! C(o=-5!,f=-9.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.837) USER MOD Single : A 80 ASN : amide:sc= -3.91 K(o=-3.9,f=-9.6!) USER MOD Single : A 86 SER OG : rot -97:sc= 0.469 USER MOD Single : A 89 SER OG : rot -17:sc= -1.02! USER MOD Single : A 92 SER OG : rot -161:sc= -1.61! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 67:sc= -0.179 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.772 -2.569 -5.614 1.00 0.68 N ATOM 27 CA ILE A 2 -17.730 -1.996 -4.768 1.00 0.61 C ATOM 28 C ILE A 2 -16.450 -1.751 -5.564 1.00 0.57 C ATOM 29 O ILE A 2 -15.987 -2.626 -6.296 1.00 0.63 O ATOM 30 CB ILE A 2 -17.406 -2.908 -3.567 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.380 -2.229 -2.642 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.894 -4.256 -4.057 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.721 -3.166 -1.644 1.00 0.56 C ATOM 0 HA ILE A 2 -18.115 -1.047 -4.396 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.317 -3.077 -2.993 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.606 -1.767 -3.255 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.876 -1.426 -2.096 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.668 -4.892 -3.201 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.657 -4.733 -4.673 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.990 -4.109 -4.648 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.013 -2.607 -1.032 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.483 -3.609 -1.003 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.193 -3.955 -2.180 1.00 0.56 H new ATOM 45 N ASP A 3 -15.885 -0.557 -5.417 1.00 0.55 N ATOM 46 CA ASP A 3 -14.662 -0.198 -6.123 1.00 0.54 C ATOM 47 C ASP A 3 -13.523 0.053 -5.135 1.00 0.47 C ATOM 48 O ASP A 3 -13.694 0.774 -4.155 1.00 0.49 O ATOM 49 CB ASP A 3 -14.893 1.049 -6.979 1.00 0.61 C ATOM 50 CG ASP A 3 -15.215 0.711 -8.422 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.285 0.333 -9.167 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.398 0.826 -8.808 1.00 1.64 O ATOM 0 H ASP A 3 -16.255 0.178 -4.815 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.384 -1.029 -6.771 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.711 1.631 -6.554 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.004 1.678 -6.946 1.00 0.61 H new ATOM 57 N PRO A 4 -12.343 -0.541 -5.375 1.00 0.44 N ATOM 58 CA PRO A 4 -11.185 -0.376 -4.497 1.00 0.41 C ATOM 59 C PRO A 4 -10.427 0.920 -4.772 1.00 0.38 C ATOM 60 O PRO A 4 -10.670 1.589 -5.777 1.00 0.43 O ATOM 61 CB PRO A 4 -10.327 -1.587 -4.849 1.00 0.45 C ATOM 62 CG PRO A 4 -10.599 -1.816 -6.296 1.00 0.50 C ATOM 63 CD PRO A 4 -12.038 -1.425 -6.519 1.00 0.50 C ATOM 0 HA PRO A 4 -11.463 -0.316 -3.445 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.270 -1.393 -4.668 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.599 -2.456 -4.250 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.932 -1.218 -6.917 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.433 -2.860 -6.563 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.170 -0.909 -7.470 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.692 -2.297 -6.536 1.00 0.50 H new ATOM 71 N PRO A 5 -9.492 1.293 -3.881 1.00 0.37 N ATOM 72 CA PRO A 5 -8.698 2.515 -4.039 1.00 0.39 C ATOM 73 C PRO A 5 -8.092 2.632 -5.435 1.00 0.38 C ATOM 74 O PRO A 5 -8.280 1.756 -6.279 1.00 0.47 O ATOM 75 CB PRO A 5 -7.603 2.362 -2.983 1.00 0.46 C ATOM 76 CG PRO A 5 -8.214 1.502 -1.932 1.00 0.71 C ATOM 77 CD PRO A 5 -9.134 0.555 -2.654 1.00 0.43 C ATOM 0 HA PRO A 5 -9.299 3.416 -3.917 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.709 1.901 -3.403 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.303 3.329 -2.579 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.448 0.957 -1.380 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.763 2.103 -1.207 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.639 -0.389 -2.883 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.014 0.317 -2.057 1.00 0.43 H new ATOM 85 N GLY A 6 -7.368 3.721 -5.672 1.00 0.37 N ATOM 86 CA GLY A 6 -6.749 3.933 -6.967 1.00 0.39 C ATOM 87 C GLY A 6 -5.358 3.335 -7.059 1.00 0.42 C ATOM 88 O GLY A 6 -4.953 2.553 -6.199 1.00 0.66 O ATOM 0 H GLY A 6 -7.199 4.461 -4.990 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.379 3.496 -7.742 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.693 5.003 -7.167 1.00 0.39 H new ATOM 92 N LYS A 7 -4.625 3.709 -8.106 1.00 0.41 N ATOM 93 CA LYS A 7 -3.270 3.213 -8.313 1.00 0.44 C ATOM 94 C LYS A 7 -2.319 3.791 -7.266 1.00 0.37 C ATOM 95 O LYS A 7 -2.080 4.999 -7.243 1.00 0.42 O ATOM 96 CB LYS A 7 -2.785 3.585 -9.717 1.00 0.54 C ATOM 97 CG LYS A 7 -1.490 2.898 -10.110 1.00 0.64 C ATOM 98 CD LYS A 7 -0.303 3.489 -9.372 1.00 1.01 C ATOM 99 CE LYS A 7 1.001 3.195 -10.090 1.00 0.95 C ATOM 100 NZ LYS A 7 1.104 3.932 -11.380 1.00 1.52 N ATOM 0 H LYS A 7 -4.950 4.356 -8.825 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.281 2.128 -8.212 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.558 3.327 -10.441 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.646 4.665 -9.771 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.561 1.832 -9.893 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.337 2.995 -11.185 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.432 4.567 -9.277 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.263 3.083 -8.361 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.838 3.468 -9.448 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.079 2.124 -10.277 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.103 4.000 -11.662 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.571 3.424 -12.114 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.711 4.888 -11.266 1.00 1.52 H new ATOM 114 N PRO A 8 -1.760 2.945 -6.376 1.00 0.34 N ATOM 115 CA PRO A 8 -0.839 3.401 -5.328 1.00 0.32 C ATOM 116 C PRO A 8 0.505 3.837 -5.885 1.00 0.33 C ATOM 117 O PRO A 8 1.119 3.126 -6.680 1.00 0.44 O ATOM 118 CB PRO A 8 -0.669 2.171 -4.423 1.00 0.39 C ATOM 119 CG PRO A 8 -1.725 1.208 -4.853 1.00 0.44 C ATOM 120 CD PRO A 8 -1.973 1.491 -6.304 1.00 0.41 C ATOM 0 HA PRO A 8 -1.229 4.275 -4.807 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.325 1.738 -4.533 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.786 2.438 -3.373 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.398 0.179 -4.706 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.635 1.340 -4.268 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.284 0.946 -6.949 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.982 1.211 -6.607 1.00 0.41 H new ATOM 128 N VAL A 9 0.958 5.012 -5.462 1.00 0.34 N ATOM 129 CA VAL A 9 2.233 5.538 -5.923 1.00 0.38 C ATOM 130 C VAL A 9 2.980 6.272 -4.804 1.00 0.34 C ATOM 131 O VAL A 9 2.598 7.375 -4.408 1.00 0.35 O ATOM 132 CB VAL A 9 2.035 6.485 -7.130 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.376 7.790 -6.709 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.363 6.745 -7.827 1.00 0.53 C ATOM 0 H VAL A 9 0.463 5.614 -4.804 1.00 0.34 H new ATOM 0 HA VAL A 9 2.837 4.686 -6.235 1.00 0.38 H new ATOM 0 HB VAL A 9 1.366 5.994 -7.837 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.251 8.432 -7.581 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.400 7.580 -6.271 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.003 8.294 -5.974 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.205 7.413 -8.674 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.058 7.207 -7.125 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.779 5.802 -8.182 1.00 0.53 H new ATOM 144 N PRO A 10 4.059 5.661 -4.267 1.00 0.34 N ATOM 145 CA PRO A 10 4.855 6.251 -3.197 1.00 0.32 C ATOM 146 C PRO A 10 4.987 7.769 -3.325 1.00 0.37 C ATOM 147 O PRO A 10 5.121 8.298 -4.429 1.00 0.64 O ATOM 148 CB PRO A 10 6.208 5.588 -3.379 1.00 0.38 C ATOM 149 CG PRO A 10 5.897 4.232 -3.919 1.00 0.39 C ATOM 150 CD PRO A 10 4.581 4.341 -4.654 1.00 0.42 C ATOM 0 HA PRO A 10 4.404 6.093 -2.218 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.836 6.153 -4.067 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.748 5.524 -2.434 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.687 3.894 -4.590 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.829 3.502 -3.113 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.720 4.269 -5.733 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.897 3.542 -4.367 1.00 0.42 H new ATOM 158 N LEU A 11 4.948 8.460 -2.196 1.00 0.34 N ATOM 159 CA LEU A 11 5.061 9.908 -2.170 1.00 0.43 C ATOM 160 C LEU A 11 6.425 10.304 -1.600 1.00 0.43 C ATOM 161 O LEU A 11 6.994 11.332 -1.969 1.00 0.57 O ATOM 162 CB LEU A 11 3.894 10.489 -1.347 1.00 0.56 C ATOM 163 CG LEU A 11 4.236 11.584 -0.335 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.757 12.815 -1.055 1.00 1.64 C ATOM 165 CD2 LEU A 11 3.019 11.920 0.508 1.00 1.12 C ATOM 0 H LEU A 11 4.838 8.034 -1.276 1.00 0.34 H new ATOM 0 HA LEU A 11 4.997 10.318 -3.178 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.155 10.889 -2.042 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.416 9.669 -0.811 1.00 0.56 H new ATOM 0 HG LEU A 11 5.019 11.221 0.331 1.00 0.92 H new ATOM 0 HD11 LEU A 11 4.998 13.589 -0.326 1.00 1.64 H new ATOM 0 HD12 LEU A 11 5.654 12.555 -1.618 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.994 13.186 -1.739 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.277 12.701 1.224 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.215 12.271 -0.138 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.691 11.030 1.044 1.00 1.12 H new ATOM 177 N ASN A 12 6.937 9.469 -0.706 1.00 0.34 N ATOM 178 CA ASN A 12 8.234 9.704 -0.080 1.00 0.36 C ATOM 179 C ASN A 12 8.855 8.384 0.338 1.00 0.37 C ATOM 180 O ASN A 12 8.527 7.852 1.394 1.00 0.58 O ATOM 181 CB ASN A 12 8.085 10.607 1.146 1.00 0.42 C ATOM 182 CG ASN A 12 9.402 10.824 1.865 1.00 0.58 C ATOM 183 OD1 ASN A 12 9.977 11.912 1.813 1.00 0.72 O ATOM 184 ND2 ASN A 12 9.890 9.788 2.544 1.00 0.71 N ATOM 0 H ASN A 12 6.471 8.616 -0.395 1.00 0.34 H new ATOM 0 HA ASN A 12 8.880 10.198 -0.806 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.679 11.570 0.838 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.366 10.164 1.835 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.773 9.878 3.047 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.381 8.904 2.561 1.00 0.71 H new ATOM 191 N ILE A 13 9.747 7.850 -0.478 1.00 0.38 N ATOM 192 CA ILE A 13 10.377 6.579 -0.153 1.00 0.43 C ATOM 193 C ILE A 13 11.714 6.742 0.554 1.00 0.53 C ATOM 194 O ILE A 13 12.568 7.526 0.144 1.00 0.75 O ATOM 195 CB ILE A 13 10.548 5.711 -1.407 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.453 6.417 -2.444 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.170 5.381 -1.959 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.723 7.188 -3.530 1.00 0.96 C ATOM 0 H ILE A 13 10.049 8.268 -1.358 1.00 0.38 H new ATOM 0 HA ILE A 13 9.704 6.078 0.542 1.00 0.43 H new ATOM 0 HB ILE A 13 11.050 4.777 -1.156 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.114 7.105 -1.916 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.086 5.667 -2.918 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.274 4.764 -2.851 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.597 4.838 -1.207 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.650 6.304 -2.215 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.449 7.644 -4.203 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.084 6.507 -4.092 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.111 7.967 -3.075 1.00 0.96 H new ATOM 210 N THR A 14 11.877 5.977 1.628 1.00 0.59 N ATOM 211 CA THR A 14 13.097 6.000 2.419 1.00 0.71 C ATOM 212 C THR A 14 13.635 4.583 2.594 1.00 0.79 C ATOM 213 O THR A 14 12.874 3.642 2.822 1.00 1.46 O ATOM 214 CB THR A 14 12.849 6.644 3.784 1.00 0.75 C ATOM 215 OG1 THR A 14 11.653 7.404 3.772 1.00 0.69 O ATOM 216 CG2 THR A 14 13.969 7.560 4.225 1.00 0.94 C ATOM 0 H THR A 14 11.170 5.327 1.972 1.00 0.59 H new ATOM 0 HA THR A 14 13.838 6.598 1.890 1.00 0.71 H new ATOM 0 HB THR A 14 12.781 5.813 4.486 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.881 6.800 3.793 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.730 7.984 5.200 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.897 6.993 4.293 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.088 8.365 3.499 1.00 0.94 H new ATOM 224 N ARG A 15 14.948 4.459 2.464 1.00 0.66 N ATOM 225 CA ARG A 15 15.656 3.173 2.576 1.00 0.67 C ATOM 226 C ARG A 15 14.969 2.160 3.505 1.00 0.71 C ATOM 227 O ARG A 15 15.023 0.957 3.248 1.00 1.19 O ATOM 228 CB ARG A 15 17.117 3.364 3.032 1.00 0.80 C ATOM 229 CG ARG A 15 17.552 4.803 3.292 1.00 0.96 C ATOM 230 CD ARG A 15 16.819 5.415 4.478 1.00 1.13 C ATOM 231 NE ARG A 15 17.501 6.604 4.981 1.00 1.43 N ATOM 232 CZ ARG A 15 17.179 7.218 6.115 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.185 6.757 6.861 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.848 8.293 6.504 1.00 1.90 N ATOM 0 H ARG A 15 15.565 5.249 2.276 1.00 0.66 H new ATOM 0 HA ARG A 15 15.632 2.759 1.568 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.270 2.788 3.945 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.773 2.938 2.272 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.626 4.829 3.477 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.367 5.404 2.402 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.803 5.676 4.182 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.739 4.677 5.276 1.00 1.13 H new ATOM 0 HE ARG A 15 18.270 6.986 4.430 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.666 5.930 6.565 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.939 7.229 7.731 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.613 8.652 5.933 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.598 8.762 7.375 1.00 1.90 H new ATOM 248 N HIS A 16 14.340 2.623 4.582 1.00 0.50 N ATOM 249 CA HIS A 16 13.681 1.699 5.510 1.00 0.54 C ATOM 250 C HIS A 16 12.183 1.967 5.642 1.00 0.57 C ATOM 251 O HIS A 16 11.423 1.079 6.029 1.00 0.97 O ATOM 252 CB HIS A 16 14.341 1.769 6.886 1.00 0.67 C ATOM 253 CG HIS A 16 15.486 0.818 7.045 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.726 0.090 8.188 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.468 0.478 6.171 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.823 -0.652 7.980 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.310 -0.454 6.770 1.00 0.86 N ATOM 0 H HIS A 16 14.271 3.609 4.833 1.00 0.50 H new ATOM 0 HA HIS A 16 13.798 0.698 5.094 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.695 2.785 7.060 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.594 1.557 7.651 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.578 0.869 5.170 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.252 -1.324 8.708 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.134 -0.893 6.359 1.00 0.86 H new ATOM 265 N THR A 17 11.761 3.180 5.323 1.00 0.43 N ATOM 266 CA THR A 17 10.348 3.542 5.414 1.00 0.42 C ATOM 267 C THR A 17 9.916 4.291 4.166 1.00 0.38 C ATOM 268 O THR A 17 10.575 5.239 3.755 1.00 0.56 O ATOM 269 CB THR A 17 10.097 4.408 6.649 1.00 0.56 C ATOM 270 OG1 THR A 17 11.079 5.422 6.758 1.00 0.65 O ATOM 271 CG2 THR A 17 10.101 3.621 7.942 1.00 0.68 C ATOM 0 H THR A 17 12.371 3.931 5.000 1.00 0.43 H new ATOM 0 HA THR A 17 9.763 2.626 5.500 1.00 0.42 H new ATOM 0 HB THR A 17 9.104 4.835 6.506 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.900 5.966 7.553 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.917 4.295 8.779 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.319 2.862 7.909 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.070 3.138 8.071 1.00 0.68 H new ATOM 279 N VAL A 18 8.811 3.873 3.560 1.00 0.27 N ATOM 280 CA VAL A 18 8.334 4.536 2.359 1.00 0.33 C ATOM 281 C VAL A 18 6.894 5.008 2.499 1.00 0.32 C ATOM 282 O VAL A 18 6.058 4.326 3.075 1.00 0.51 O ATOM 283 CB VAL A 18 8.468 3.649 1.097 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.860 3.030 1.002 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.380 2.590 0.996 1.00 0.80 C ATOM 0 H VAL A 18 8.238 3.090 3.876 1.00 0.27 H new ATOM 0 HA VAL A 18 8.977 5.407 2.233 1.00 0.33 H new ATOM 0 HB VAL A 18 8.330 4.309 0.240 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.923 2.413 0.106 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.608 3.822 0.951 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.045 2.413 1.881 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.528 2.001 0.091 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.427 1.936 1.867 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.404 3.074 0.958 1.00 0.80 H new ATOM 295 N THR A 19 6.618 6.182 1.951 1.00 0.27 N ATOM 296 CA THR A 19 5.284 6.750 1.996 1.00 0.24 C ATOM 297 C THR A 19 4.643 6.663 0.626 1.00 0.22 C ATOM 298 O THR A 19 5.340 6.678 -0.389 1.00 0.34 O ATOM 299 CB THR A 19 5.325 8.206 2.465 1.00 0.28 C ATOM 300 OG1 THR A 19 5.575 8.279 3.857 1.00 0.35 O ATOM 301 CG2 THR A 19 4.039 8.956 2.185 1.00 0.32 C ATOM 0 H THR A 19 7.306 6.760 1.468 1.00 0.27 H new ATOM 0 HA THR A 19 4.690 6.179 2.710 1.00 0.24 H new ATOM 0 HB THR A 19 6.131 8.673 1.898 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.598 9.218 4.136 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.131 9.982 2.541 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.846 8.960 1.112 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.213 8.466 2.700 1.00 0.32 H new ATOM 309 N LEU A 20 3.317 6.579 0.600 1.00 0.28 N ATOM 310 CA LEU A 20 2.598 6.489 -0.660 1.00 0.26 C ATOM 311 C LEU A 20 1.239 7.165 -0.590 1.00 0.28 C ATOM 312 O LEU A 20 0.613 7.250 0.473 1.00 0.40 O ATOM 313 CB LEU A 20 2.423 5.029 -1.105 1.00 0.33 C ATOM 314 CG LEU A 20 3.147 3.970 -0.266 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.170 2.908 0.205 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.273 3.362 -1.072 1.00 0.50 C ATOM 0 H LEU A 20 2.725 6.572 1.431 1.00 0.28 H new ATOM 0 HA LEU A 20 3.206 7.014 -1.397 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.358 4.797 -1.104 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.767 4.942 -2.136 1.00 0.33 H new ATOM 0 HG LEU A 20 3.574 4.442 0.619 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.700 2.164 0.799 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.394 3.372 0.813 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.714 2.425 -0.659 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.785 2.610 -0.472 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.867 2.896 -1.970 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.979 4.142 -1.356 1.00 0.50 H new ATOM 328 N LYS A 21 0.796 7.635 -1.749 1.00 0.25 N ATOM 329 CA LYS A 21 -0.485 8.304 -1.881 1.00 0.31 C ATOM 330 C LYS A 21 -1.207 7.790 -3.121 1.00 0.31 C ATOM 331 O LYS A 21 -0.570 7.440 -4.116 1.00 0.51 O ATOM 332 CB LYS A 21 -0.283 9.817 -1.979 1.00 0.40 C ATOM 333 CG LYS A 21 -1.580 10.605 -2.005 1.00 0.81 C ATOM 334 CD LYS A 21 -2.406 10.354 -0.756 1.00 0.95 C ATOM 335 CE LYS A 21 -3.218 11.582 -0.370 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.273 11.890 -1.374 1.00 1.84 N ATOM 0 H LYS A 21 1.317 7.561 -2.623 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.091 8.090 -1.000 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.317 10.150 -1.132 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.286 10.041 -2.881 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.359 11.669 -2.089 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.158 10.328 -2.887 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.076 9.511 -0.925 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -1.748 10.078 0.068 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.680 11.420 0.604 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.553 12.439 -0.268 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.134 12.854 -1.738 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.214 11.211 -2.160 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.209 11.820 -0.926 1.00 1.84 H new ATOM 350 N TRP A 22 -2.532 7.741 -3.064 1.00 0.25 N ATOM 351 CA TRP A 22 -3.314 7.265 -4.196 1.00 0.24 C ATOM 352 C TRP A 22 -4.647 7.992 -4.291 1.00 0.24 C ATOM 353 O TRP A 22 -4.908 8.934 -3.540 1.00 0.40 O ATOM 354 CB TRP A 22 -3.547 5.760 -4.094 1.00 0.27 C ATOM 355 CG TRP A 22 -4.177 5.303 -2.817 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.487 4.973 -2.624 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.521 5.102 -1.560 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.686 4.584 -1.323 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.496 4.655 -0.651 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.205 5.258 -1.114 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.198 4.363 0.675 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.910 4.968 0.206 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.905 4.523 1.087 1.00 0.32 C ATOM 0 H TRP A 22 -3.083 8.023 -2.253 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.745 7.475 -5.101 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.179 5.448 -4.925 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.591 5.251 -4.212 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.254 5.012 -3.383 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.576 4.290 -0.922 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.433 5.599 -1.788 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.963 4.021 1.357 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.898 5.086 0.563 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.645 4.302 2.112 1.00 0.32 H new ATOM 374 N ALA A 23 -5.490 7.548 -5.215 1.00 0.31 N ATOM 375 CA ALA A 23 -6.798 8.153 -5.406 1.00 0.33 C ATOM 376 C ALA A 23 -7.795 7.619 -4.385 1.00 0.36 C ATOM 377 O ALA A 23 -7.410 7.013 -3.385 1.00 0.83 O ATOM 378 CB ALA A 23 -7.291 7.896 -6.821 1.00 0.36 C ATOM 0 H ALA A 23 -5.289 6.770 -5.843 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.707 9.229 -5.257 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.271 8.353 -6.953 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.590 8.328 -7.535 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.366 6.822 -6.991 1.00 0.36 H new ATOM 384 N LYS A 24 -9.075 7.848 -4.643 1.00 0.59 N ATOM 385 CA LYS A 24 -10.128 7.390 -3.745 1.00 0.61 C ATOM 386 C LYS A 24 -11.291 6.795 -4.531 1.00 0.59 C ATOM 387 O LYS A 24 -11.676 7.322 -5.574 1.00 0.69 O ATOM 388 CB LYS A 24 -10.630 8.550 -2.883 1.00 0.74 C ATOM 389 CG LYS A 24 -11.319 8.113 -1.600 1.00 1.21 C ATOM 390 CD LYS A 24 -12.782 7.760 -1.837 1.00 1.22 C ATOM 391 CE LYS A 24 -13.696 8.932 -1.512 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.782 9.178 -0.047 1.00 2.11 N ATOM 0 H LYS A 24 -9.410 8.348 -5.466 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.710 6.616 -3.101 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -9.787 9.193 -2.630 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.324 9.151 -3.470 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -10.799 7.250 -1.184 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.253 8.912 -0.861 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.923 7.465 -2.877 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.055 6.902 -1.222 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.327 9.829 -2.010 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.693 8.735 -1.906 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.620 9.758 0.159 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -13.858 8.270 0.454 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -12.928 9.678 0.272 1.00 2.11 H new ATOM 406 N PRO A 25 -11.874 5.688 -4.036 1.00 0.56 N ATOM 407 CA PRO A 25 -13.000 5.034 -4.697 1.00 0.63 C ATOM 408 C PRO A 25 -14.008 6.043 -5.238 1.00 0.75 C ATOM 409 O PRO A 25 -14.058 7.187 -4.785 1.00 0.89 O ATOM 410 CB PRO A 25 -13.612 4.196 -3.577 1.00 0.63 C ATOM 411 CG PRO A 25 -12.454 3.841 -2.708 1.00 0.71 C ATOM 412 CD PRO A 25 -11.485 4.993 -2.794 1.00 0.58 C ATOM 0 HA PRO A 25 -12.697 4.449 -5.565 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.365 4.758 -3.026 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.103 3.305 -3.969 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.776 3.681 -1.679 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.987 2.915 -3.043 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.565 5.649 -1.927 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.453 4.645 -2.837 1.00 0.58 H new ATOM 420 N GLU A 26 -14.798 5.618 -6.212 1.00 0.85 N ATOM 421 CA GLU A 26 -15.793 6.491 -6.821 1.00 1.05 C ATOM 422 C GLU A 26 -17.214 6.036 -6.499 1.00 0.95 C ATOM 423 O GLU A 26 -18.156 6.827 -6.572 1.00 1.12 O ATOM 424 CB GLU A 26 -15.590 6.542 -8.336 1.00 1.29 C ATOM 425 CG GLU A 26 -14.277 7.189 -8.752 1.00 1.83 C ATOM 426 CD GLU A 26 -14.296 7.679 -10.185 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.618 6.874 -11.084 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.988 8.869 -10.410 1.00 2.53 O ATOM 0 H GLU A 26 -14.770 4.674 -6.598 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.660 7.489 -6.403 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.628 5.528 -8.734 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.416 7.092 -8.787 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.063 8.027 -8.088 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.467 6.470 -8.629 1.00 1.83 H new ATOM 435 N TYR A 27 -17.373 4.765 -6.143 1.00 0.85 N ATOM 436 CA TYR A 27 -18.692 4.235 -5.814 1.00 0.84 C ATOM 437 C TYR A 27 -18.686 3.500 -4.478 1.00 0.86 C ATOM 438 O TYR A 27 -19.251 3.981 -3.496 1.00 1.37 O ATOM 439 CB TYR A 27 -19.197 3.305 -6.920 1.00 0.86 C ATOM 440 CG TYR A 27 -20.706 3.245 -6.998 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.436 4.315 -7.499 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.400 2.124 -6.562 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.816 4.267 -7.568 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.780 2.069 -6.627 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.482 3.143 -7.129 1.00 1.19 C ATOM 446 OH TYR A 27 -24.856 3.092 -7.195 1.00 1.35 O ATOM 0 H TYR A 27 -16.613 4.088 -6.075 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.369 5.085 -5.730 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.802 3.642 -7.879 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.807 2.301 -6.749 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.917 5.199 -7.840 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.853 1.281 -6.166 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.369 5.106 -7.964 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.305 1.189 -6.286 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.168 2.231 -6.847 1.00 1.35 H new ATOM 456 N THR A 28 -18.055 2.329 -4.443 1.00 0.65 N ATOM 457 CA THR A 28 -17.995 1.537 -3.220 1.00 0.61 C ATOM 458 C THR A 28 -19.392 1.357 -2.635 1.00 0.66 C ATOM 459 O THR A 28 -19.601 1.521 -1.433 1.00 0.81 O ATOM 460 CB THR A 28 -17.077 2.198 -2.193 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.197 3.609 -2.247 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.618 1.852 -2.390 1.00 0.79 C ATOM 0 H THR A 28 -17.581 1.910 -5.243 1.00 0.65 H new ATOM 0 HA THR A 28 -17.588 0.557 -3.468 1.00 0.61 H new ATOM 0 HB THR A 28 -17.398 1.813 -1.225 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.144 3.859 -2.202 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.019 2.353 -1.629 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.485 0.774 -2.305 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.297 2.180 -3.378 1.00 0.79 H new ATOM 470 N GLY A 29 -20.347 1.025 -3.502 1.00 0.75 N ATOM 471 CA GLY A 29 -21.721 0.831 -3.070 1.00 0.80 C ATOM 472 C GLY A 29 -22.183 1.909 -2.102 1.00 0.85 C ATOM 473 O GLY A 29 -22.099 3.100 -2.402 1.00 1.01 O ATOM 0 H GLY A 29 -20.192 0.887 -4.501 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.375 0.825 -3.942 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.815 -0.145 -2.594 1.00 0.80 H new ATOM 477 N GLY A 30 -22.650 1.489 -0.933 1.00 0.83 N ATOM 478 CA GLY A 30 -23.097 2.429 0.077 1.00 0.89 C ATOM 479 C GLY A 30 -22.182 2.376 1.276 1.00 0.85 C ATOM 480 O GLY A 30 -22.618 2.478 2.423 1.00 0.98 O ATOM 0 H GLY A 30 -22.727 0.508 -0.665 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.111 3.438 -0.335 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.118 2.193 0.378 1.00 0.89 H new ATOM 484 N PHE A 31 -20.904 2.188 0.987 1.00 0.73 N ATOM 485 CA PHE A 31 -19.874 2.079 2.008 1.00 0.69 C ATOM 486 C PHE A 31 -19.023 3.344 2.097 1.00 0.67 C ATOM 487 O PHE A 31 -19.204 4.284 1.323 1.00 0.74 O ATOM 488 CB PHE A 31 -18.977 0.896 1.680 1.00 0.63 C ATOM 489 CG PHE A 31 -19.698 -0.247 1.014 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.859 -0.767 1.565 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.216 -0.797 -0.164 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.524 -1.814 0.956 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.876 -1.844 -0.777 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.031 -2.352 -0.218 1.00 0.83 C ATOM 0 H PHE A 31 -20.551 2.106 0.034 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.366 1.939 2.971 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.170 1.233 1.029 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.515 0.536 2.599 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.248 -0.349 2.481 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.314 -0.402 -0.607 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.427 -2.211 1.396 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.489 -2.265 -1.693 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.549 -3.169 -0.697 1.00 0.83 H new ATOM 504 N LYS A 32 -18.085 3.348 3.044 1.00 0.68 N ATOM 505 CA LYS A 32 -17.187 4.486 3.237 1.00 0.72 C ATOM 506 C LYS A 32 -15.763 4.037 3.588 1.00 0.66 C ATOM 507 O LYS A 32 -14.915 4.865 3.921 1.00 0.74 O ATOM 508 CB LYS A 32 -17.719 5.406 4.339 1.00 0.86 C ATOM 509 CG LYS A 32 -18.273 4.662 5.544 1.00 1.38 C ATOM 510 CD LYS A 32 -17.170 4.264 6.512 1.00 1.38 C ATOM 511 CE LYS A 32 -16.611 5.471 7.249 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.635 6.124 8.110 1.00 2.26 N ATOM 0 H LYS A 32 -17.927 2.575 3.690 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.149 5.029 2.293 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.916 6.065 4.668 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.502 6.040 3.924 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -19.000 5.291 6.058 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.803 3.770 5.210 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.559 3.545 7.233 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.368 3.766 5.967 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.766 5.161 7.863 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -16.232 6.193 6.526 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -17.164 6.731 8.811 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -18.267 6.703 7.520 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -18.191 5.395 8.601 1.00 2.26 H new ATOM 526 N ILE A 33 -15.500 2.729 3.511 1.00 0.67 N ATOM 527 CA ILE A 33 -14.181 2.189 3.825 1.00 0.66 C ATOM 528 C ILE A 33 -13.774 2.521 5.259 1.00 0.80 C ATOM 529 O ILE A 33 -14.129 3.571 5.793 1.00 1.71 O ATOM 530 CB ILE A 33 -13.108 2.708 2.846 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.471 2.300 1.415 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.733 2.171 3.228 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.353 2.503 0.415 1.00 0.91 C ATOM 0 H ILE A 33 -16.186 2.027 3.233 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.249 1.106 3.721 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.073 3.796 2.902 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.763 1.250 1.410 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.340 2.874 1.094 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.988 2.547 2.527 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.481 2.500 4.236 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.746 1.082 3.194 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.688 2.191 -0.574 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.076 3.557 0.388 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.489 1.908 0.710 1.00 0.91 H new ATOM 545 N THR A 34 -13.033 1.609 5.881 1.00 0.72 N ATOM 546 CA THR A 34 -12.590 1.804 7.256 1.00 0.73 C ATOM 547 C THR A 34 -11.071 1.950 7.365 1.00 0.59 C ATOM 548 O THR A 34 -10.578 2.655 8.244 1.00 0.76 O ATOM 549 CB THR A 34 -13.062 0.639 8.126 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.283 -0.518 7.880 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.512 0.272 7.896 1.00 1.15 C ATOM 0 H THR A 34 -12.728 0.733 5.457 1.00 0.72 H new ATOM 0 HA THR A 34 -13.033 2.736 7.609 1.00 0.73 H new ATOM 0 HB THR A 34 -12.948 0.981 9.155 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.599 -1.252 8.447 1.00 1.09 H new ATOM 0 HG21 THR A 34 -14.784 -0.561 8.544 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.145 1.130 8.124 1.00 1.15 H new ATOM 0 HG23 THR A 34 -14.653 -0.017 6.855 1.00 1.15 H new ATOM 559 N SER A 35 -10.328 1.281 6.483 1.00 0.49 N ATOM 560 CA SER A 35 -8.866 1.356 6.520 1.00 0.47 C ATOM 561 C SER A 35 -8.232 0.729 5.284 1.00 0.45 C ATOM 562 O SER A 35 -8.621 -0.359 4.867 1.00 0.72 O ATOM 563 CB SER A 35 -8.338 0.642 7.761 1.00 0.64 C ATOM 564 OG SER A 35 -9.391 0.310 8.648 1.00 1.58 O ATOM 0 H SER A 35 -10.707 0.689 5.744 1.00 0.49 H new ATOM 0 HA SER A 35 -8.598 2.412 6.546 1.00 0.47 H new ATOM 0 HB2 SER A 35 -7.809 -0.264 7.465 1.00 0.64 H new ATOM 0 HB3 SER A 35 -7.617 1.280 8.271 1.00 0.64 H new ATOM 0 HG SER A 35 -9.025 -0.147 9.434 1.00 1.58 H new ATOM 570 N TYR A 36 -7.242 1.413 4.715 1.00 0.27 N ATOM 571 CA TYR A 36 -6.547 0.913 3.533 1.00 0.28 C ATOM 572 C TYR A 36 -5.362 0.032 3.919 1.00 0.33 C ATOM 573 O TYR A 36 -4.239 0.515 4.065 1.00 0.68 O ATOM 574 CB TYR A 36 -6.059 2.070 2.662 1.00 0.29 C ATOM 575 CG TYR A 36 -7.161 2.993 2.193 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.156 2.540 1.335 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.204 4.317 2.605 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.162 3.383 0.903 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.206 5.167 2.177 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.183 4.695 1.327 1.00 0.60 C ATOM 581 OH TYR A 36 -10.183 5.536 0.900 1.00 0.76 O ATOM 0 H TYR A 36 -6.904 2.314 5.053 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.259 0.313 2.967 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.327 2.651 3.223 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.544 1.664 1.791 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.143 1.513 1.001 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.441 4.690 3.272 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.928 3.016 0.236 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.223 6.195 2.507 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.052 6.425 1.291 1.00 0.76 H new ATOM 591 N ILE A 37 -5.615 -1.263 4.070 1.00 0.24 N ATOM 592 CA ILE A 37 -4.564 -2.211 4.423 1.00 0.26 C ATOM 593 C ILE A 37 -3.724 -2.564 3.198 1.00 0.33 C ATOM 594 O ILE A 37 -4.193 -3.251 2.292 1.00 0.70 O ATOM 595 CB ILE A 37 -5.144 -3.509 5.017 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.321 -3.198 5.943 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.064 -4.273 5.767 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.832 -4.407 6.696 1.00 1.14 C ATOM 0 H ILE A 37 -6.538 -1.681 3.954 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.940 -1.727 5.175 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.507 -4.132 4.200 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.017 -2.435 6.660 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.135 -2.776 5.354 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.487 -5.188 6.182 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.255 -4.525 5.082 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.675 -3.654 6.576 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.666 -4.113 7.333 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.167 -5.163 5.986 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.032 -4.817 7.312 1.00 1.14 H new ATOM 610 N VAL A 38 -2.484 -2.089 3.174 1.00 0.36 N ATOM 611 CA VAL A 38 -1.585 -2.354 2.056 1.00 0.42 C ATOM 612 C VAL A 38 -0.507 -3.372 2.441 1.00 0.35 C ATOM 613 O VAL A 38 0.194 -3.206 3.439 1.00 0.48 O ATOM 614 CB VAL A 38 -0.932 -1.040 1.544 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.554 -0.144 2.710 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.282 -1.306 0.656 1.00 0.51 C ATOM 0 H VAL A 38 -2.078 -1.518 3.916 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.181 -2.780 1.248 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.674 -0.529 0.930 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.098 0.771 2.333 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.448 0.105 3.282 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.156 -0.664 3.353 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.704 -0.358 0.323 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.032 -1.858 1.222 1.00 0.51 H new ATOM 0 HG23 VAL A 38 -0.023 -1.892 -0.211 1.00 0.51 H new ATOM 626 N GLU A 39 -0.386 -4.423 1.632 1.00 0.30 N ATOM 627 CA GLU A 39 0.601 -5.473 1.868 1.00 0.33 C ATOM 628 C GLU A 39 1.889 -5.171 1.112 1.00 0.32 C ATOM 629 O GLU A 39 1.858 -4.553 0.051 1.00 0.43 O ATOM 630 CB GLU A 39 0.037 -6.828 1.431 1.00 0.42 C ATOM 631 CG GLU A 39 -1.334 -7.130 2.013 1.00 0.51 C ATOM 632 CD GLU A 39 -2.126 -8.104 1.165 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.683 -8.406 0.037 1.00 1.67 O ATOM 634 OE2 GLU A 39 -3.192 -8.564 1.627 1.00 1.52 O ATOM 0 H GLU A 39 -0.963 -4.570 0.804 1.00 0.30 H new ATOM 0 HA GLU A 39 0.826 -5.510 2.934 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.025 -6.853 0.343 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.731 -7.614 1.729 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.216 -7.540 3.016 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -1.895 -6.201 2.112 1.00 0.51 H new ATOM 641 N LYS A 40 3.021 -5.611 1.659 1.00 0.28 N ATOM 642 CA LYS A 40 4.311 -5.379 1.014 1.00 0.31 C ATOM 643 C LYS A 40 4.931 -6.686 0.553 1.00 0.29 C ATOM 644 O LYS A 40 4.614 -7.754 1.069 1.00 0.35 O ATOM 645 CB LYS A 40 5.318 -4.664 1.937 1.00 0.43 C ATOM 646 CG LYS A 40 4.790 -4.243 3.297 1.00 0.92 C ATOM 647 CD LYS A 40 5.881 -4.351 4.352 1.00 1.14 C ATOM 648 CE LYS A 40 5.812 -5.680 5.086 1.00 1.65 C ATOM 649 NZ LYS A 40 6.443 -5.608 6.433 1.00 1.97 N ATOM 0 H LYS A 40 3.071 -6.125 2.539 1.00 0.28 H new ATOM 0 HA LYS A 40 4.104 -4.734 0.160 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.173 -5.323 2.089 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.687 -3.777 1.422 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.423 -3.218 3.249 1.00 0.92 H new ATOM 0 HG3 LYS A 40 3.944 -4.872 3.575 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.858 -4.244 3.880 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.781 -3.533 5.066 1.00 1.14 H new ATOM 0 HE2 LYS A 40 4.770 -5.983 5.190 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.310 -6.448 4.493 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.374 -6.535 6.899 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.444 -5.344 6.334 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.952 -4.894 7.009 1.00 1.97 H new ATOM 663 N ARG A 41 5.833 -6.579 -0.412 1.00 0.36 N ATOM 664 CA ARG A 41 6.529 -7.736 -0.947 1.00 0.40 C ATOM 665 C ARG A 41 8.018 -7.436 -1.043 1.00 0.41 C ATOM 666 O ARG A 41 8.441 -6.590 -1.830 1.00 0.43 O ATOM 667 CB ARG A 41 5.972 -8.114 -2.321 1.00 0.46 C ATOM 668 CG ARG A 41 6.471 -9.457 -2.831 1.00 0.58 C ATOM 669 CD ARG A 41 5.399 -10.185 -3.626 1.00 0.88 C ATOM 670 NE ARG A 41 5.155 -9.560 -4.924 1.00 0.95 N ATOM 671 CZ ARG A 41 4.584 -10.188 -5.947 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.201 -11.450 -5.824 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.396 -9.553 -7.098 1.00 1.44 N ATOM 0 H ARG A 41 6.100 -5.694 -0.842 1.00 0.36 H new ATOM 0 HA ARG A 41 6.376 -8.581 -0.276 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.883 -8.136 -2.269 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.241 -7.339 -3.039 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.350 -9.306 -3.457 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.783 -10.074 -1.988 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.701 -11.222 -3.775 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.472 -10.202 -3.053 1.00 0.88 H new ATOM 0 HE ARG A 41 5.438 -8.589 -5.052 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.344 -11.943 -4.942 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.763 -11.929 -6.611 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.690 -8.581 -7.198 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.958 -10.037 -7.882 1.00 1.44 H new ATOM 687 N ASP A 42 8.807 -8.128 -0.229 1.00 0.50 N ATOM 688 CA ASP A 42 10.250 -7.930 -0.215 1.00 0.57 C ATOM 689 C ASP A 42 10.898 -8.569 -1.439 1.00 0.62 C ATOM 690 O ASP A 42 11.000 -9.791 -1.527 1.00 0.91 O ATOM 691 CB ASP A 42 10.854 -8.529 1.057 1.00 0.71 C ATOM 692 CG ASP A 42 9.807 -9.161 1.951 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.934 -8.425 2.455 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.861 -10.392 2.149 1.00 1.49 O ATOM 0 H ASP A 42 8.471 -8.831 0.429 1.00 0.50 H new ATOM 0 HA ASP A 42 10.444 -6.858 -0.237 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.596 -9.279 0.785 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.377 -7.749 1.610 1.00 0.71 H new ATOM 699 N LEU A 43 11.339 -7.742 -2.383 1.00 0.63 N ATOM 700 CA LEU A 43 11.979 -8.251 -3.591 1.00 0.68 C ATOM 701 C LEU A 43 13.487 -8.392 -3.383 1.00 0.81 C ATOM 702 O LEU A 43 14.091 -7.618 -2.642 1.00 0.90 O ATOM 703 CB LEU A 43 11.708 -7.327 -4.790 1.00 0.62 C ATOM 704 CG LEU A 43 10.263 -7.289 -5.326 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.481 -8.545 -4.953 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.549 -6.045 -4.822 1.00 0.80 C ATOM 0 H LEU A 43 11.266 -6.726 -2.336 1.00 0.63 H new ATOM 0 HA LEU A 43 11.554 -9.232 -3.802 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.993 -6.313 -4.509 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.365 -7.628 -5.606 1.00 0.62 H new ATOM 0 HG LEU A 43 10.316 -7.254 -6.414 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.469 -8.475 -5.351 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.976 -9.420 -5.373 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.439 -8.638 -3.868 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.529 -6.029 -5.207 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.525 -6.056 -3.732 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.080 -5.157 -5.165 1.00 0.80 H new ATOM 718 N PRO A 44 14.122 -9.387 -4.036 1.00 0.92 N ATOM 719 CA PRO A 44 13.454 -10.329 -4.925 1.00 0.99 C ATOM 720 C PRO A 44 13.022 -11.605 -4.206 1.00 1.15 C ATOM 721 O PRO A 44 12.715 -12.612 -4.843 1.00 1.43 O ATOM 722 CB PRO A 44 14.547 -10.630 -5.945 1.00 1.15 C ATOM 723 CG PRO A 44 15.827 -10.543 -5.170 1.00 1.25 C ATOM 724 CD PRO A 44 15.562 -9.673 -3.957 1.00 1.08 C ATOM 0 HA PRO A 44 12.533 -9.930 -5.350 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.417 -11.619 -6.384 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.531 -9.912 -6.765 1.00 1.15 H new ATOM 0 HG2 PRO A 44 16.160 -11.535 -4.866 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.620 -10.115 -5.784 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.817 -10.189 -3.031 1.00 1.08 H new ATOM 0 HD3 PRO A 44 16.153 -8.758 -3.985 1.00 1.08 H new ATOM 732 N ASN A 45 13.000 -11.558 -2.876 1.00 1.14 N ATOM 733 CA ASN A 45 12.605 -12.716 -2.081 1.00 1.33 C ATOM 734 C ASN A 45 11.669 -12.307 -0.949 1.00 1.43 C ATOM 735 O ASN A 45 12.116 -11.923 0.133 1.00 2.42 O ATOM 736 CB ASN A 45 13.834 -13.432 -1.510 1.00 1.66 C ATOM 737 CG ASN A 45 14.982 -12.487 -1.204 1.00 1.93 C ATOM 738 OD1 ASN A 45 16.132 -12.756 -1.554 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.677 -11.373 -0.550 1.00 1.89 N ATOM 0 H ASN A 45 13.250 -10.734 -2.329 1.00 1.14 H new ATOM 0 HA ASN A 45 12.075 -13.403 -2.740 1.00 1.33 H new ATOM 0 HB2 ASN A 45 13.550 -13.958 -0.598 1.00 1.66 H new ATOM 0 HB3 ASN A 45 14.171 -14.186 -2.221 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.409 -10.701 -0.319 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.711 -11.189 -0.279 1.00 1.89 H new ATOM 746 N GLY A 46 10.368 -12.393 -1.205 1.00 0.90 N ATOM 747 CA GLY A 46 9.385 -12.030 -0.202 1.00 1.12 C ATOM 748 C GLY A 46 7.965 -12.311 -0.657 1.00 0.76 C ATOM 749 O GLY A 46 7.753 -12.990 -1.662 1.00 0.96 O ATOM 0 H GLY A 46 9.976 -12.709 -2.092 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.586 -12.582 0.716 1.00 1.12 H new ATOM 0 HA3 GLY A 46 9.485 -10.971 0.035 1.00 1.12 H new ATOM 753 N ARG A 47 6.990 -11.788 0.083 1.00 0.80 N ATOM 754 CA ARG A 47 5.585 -11.989 -0.256 1.00 0.76 C ATOM 755 C ARG A 47 4.709 -10.900 0.354 1.00 0.85 C ATOM 756 O ARG A 47 5.178 -10.090 1.153 1.00 1.71 O ATOM 757 CB ARG A 47 5.111 -13.365 0.213 1.00 0.99 C ATOM 758 CG ARG A 47 5.760 -13.821 1.507 1.00 1.31 C ATOM 759 CD ARG A 47 5.438 -12.879 2.657 1.00 1.11 C ATOM 760 NE ARG A 47 5.458 -13.568 3.944 1.00 1.41 N ATOM 761 CZ ARG A 47 6.571 -13.843 4.616 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.751 -13.491 4.123 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.506 -14.472 5.781 1.00 2.03 N ATOM 0 H ARG A 47 7.147 -11.224 0.918 1.00 0.80 H new ATOM 0 HA ARG A 47 5.494 -11.934 -1.341 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.030 -13.342 0.347 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.320 -14.098 -0.567 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.417 -14.826 1.752 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.840 -13.877 1.373 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.160 -12.062 2.671 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.456 -12.434 2.498 1.00 1.11 H new ATOM 0 HE ARG A 47 4.567 -13.854 4.350 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.806 -13.008 3.226 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.604 -13.703 4.641 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.601 -14.746 6.163 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.361 -14.682 6.295 1.00 2.03 H new ATOM 777 N TRP A 48 3.439 -10.887 -0.037 1.00 0.50 N ATOM 778 CA TRP A 48 2.489 -9.901 0.448 1.00 0.43 C ATOM 779 C TRP A 48 2.144 -10.117 1.914 1.00 0.45 C ATOM 780 O TRP A 48 1.657 -11.180 2.301 1.00 0.65 O ATOM 781 CB TRP A 48 1.224 -9.928 -0.403 1.00 0.47 C ATOM 782 CG TRP A 48 1.526 -9.826 -1.860 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.349 -10.792 -2.805 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.081 -8.694 -2.539 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.757 -10.330 -4.030 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.208 -9.045 -3.895 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.479 -7.416 -2.133 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.719 -8.166 -4.847 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.985 -6.545 -3.080 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.100 -6.923 -4.422 1.00 0.38 C ATOM 0 H TRP A 48 3.044 -11.558 -0.696 1.00 0.50 H new ATOM 0 HA TRP A 48 2.959 -8.921 0.364 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.678 -10.851 -0.210 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.573 -9.105 -0.110 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.947 -11.776 -2.617 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.729 -10.859 -4.902 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.393 -7.115 -1.099 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.811 -8.455 -5.883 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.297 -5.556 -2.779 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.498 -6.219 -5.137 1.00 0.38 H new ATOM 801 N LEU A 49 2.395 -9.095 2.723 1.00 0.38 N ATOM 802 CA LEU A 49 2.113 -9.158 4.150 1.00 0.42 C ATOM 803 C LEU A 49 1.588 -7.817 4.653 1.00 0.36 C ATOM 804 O LEU A 49 2.094 -6.760 4.276 1.00 0.39 O ATOM 805 CB LEU A 49 3.376 -9.558 4.918 1.00 0.52 C ATOM 806 CG LEU A 49 3.280 -10.887 5.669 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.420 -10.737 6.915 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.721 -11.969 4.758 1.00 0.84 C ATOM 0 H LEU A 49 2.795 -8.210 2.413 1.00 0.38 H new ATOM 0 HA LEU A 49 1.344 -9.912 4.320 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.208 -9.613 4.216 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.614 -8.770 5.633 1.00 0.52 H new ATOM 0 HG LEU A 49 4.282 -11.182 5.981 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.364 -11.693 7.436 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.862 -9.990 7.574 1.00 1.28 H new ATOM 0 HD13 LEU A 49 1.417 -10.420 6.629 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.658 -12.909 5.306 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.727 -11.680 4.418 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.377 -12.094 3.897 1.00 0.84 H new ATOM 820 N LYS A 50 0.564 -7.865 5.502 1.00 0.40 N ATOM 821 CA LYS A 50 -0.034 -6.650 6.049 1.00 0.40 C ATOM 822 C LYS A 50 1.029 -5.683 6.552 1.00 0.47 C ATOM 823 O LYS A 50 1.462 -5.762 7.703 1.00 0.85 O ATOM 824 CB LYS A 50 -0.998 -6.988 7.189 1.00 0.59 C ATOM 825 CG LYS A 50 -2.417 -7.270 6.724 1.00 0.72 C ATOM 826 CD LYS A 50 -3.368 -7.422 7.900 1.00 1.03 C ATOM 827 CE LYS A 50 -3.346 -6.198 8.803 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.382 -6.281 9.870 1.00 1.30 N ATOM 0 H LYS A 50 0.132 -8.730 5.825 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.585 -6.168 5.241 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.621 -7.858 7.726 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.015 -6.159 7.897 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.758 -6.459 6.081 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.430 -8.180 6.124 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.381 -7.584 7.531 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.095 -8.305 8.477 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.361 -6.100 9.259 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.511 -5.302 8.205 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.336 -5.429 10.465 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.324 -6.349 9.435 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.210 -7.123 10.456 1.00 1.30 H new ATOM 842 N ALA A 51 1.441 -4.765 5.687 1.00 0.45 N ATOM 843 CA ALA A 51 2.445 -3.778 6.049 1.00 0.63 C ATOM 844 C ALA A 51 1.981 -2.973 7.252 1.00 0.55 C ATOM 845 O ALA A 51 2.613 -2.987 8.308 1.00 0.72 O ATOM 846 CB ALA A 51 2.718 -2.853 4.877 1.00 0.86 C ATOM 0 H ALA A 51 1.095 -4.685 4.731 1.00 0.45 H new ATOM 0 HA ALA A 51 3.367 -4.298 6.309 1.00 0.63 H new ATOM 0 HB1 ALA A 51 3.472 -2.118 5.161 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.080 -3.436 4.030 1.00 0.86 H new ATOM 0 HB3 ALA A 51 1.798 -2.339 4.597 1.00 0.86 H new ATOM 852 N ASN A 52 0.868 -2.276 7.077 1.00 0.42 N ATOM 853 CA ASN A 52 0.298 -1.460 8.140 1.00 0.43 C ATOM 854 C ASN A 52 -0.366 -2.351 9.195 1.00 0.59 C ATOM 855 O ASN A 52 -1.126 -3.259 8.866 1.00 1.60 O ATOM 856 CB ASN A 52 -0.707 -0.458 7.537 1.00 0.38 C ATOM 857 CG ASN A 52 -1.784 0.003 8.509 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.783 1.147 8.963 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.707 -0.899 8.831 1.00 0.62 N ATOM 0 H ASN A 52 0.339 -2.259 6.205 1.00 0.42 H new ATOM 0 HA ASN A 52 1.091 -0.898 8.634 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.162 0.414 7.175 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.186 -0.916 6.672 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.455 -0.654 9.480 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.667 -1.836 8.429 1.00 0.62 H new ATOM 866 N PHE A 53 -0.072 -2.077 10.464 1.00 0.81 N ATOM 867 CA PHE A 53 -0.639 -2.846 11.566 1.00 0.82 C ATOM 868 C PHE A 53 -1.312 -1.928 12.582 1.00 0.84 C ATOM 869 O PHE A 53 -1.272 -2.183 13.786 1.00 1.20 O ATOM 870 CB PHE A 53 0.444 -3.681 12.256 1.00 0.96 C ATOM 871 CG PHE A 53 -0.075 -4.945 12.891 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.425 -5.092 13.181 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.786 -5.986 13.193 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.901 -6.248 13.760 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.314 -7.148 13.774 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.032 -7.279 14.057 1.00 1.96 C ATOM 0 H PHE A 53 0.556 -1.327 10.753 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.391 -3.517 11.151 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.210 -3.941 11.525 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.926 -3.073 13.021 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.110 -4.290 12.950 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.839 -5.889 12.972 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.953 -6.348 13.981 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.996 -7.952 14.006 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.404 -8.186 14.510 1.00 1.96 H new ATOM 886 N SER A 54 -1.928 -0.858 12.089 1.00 0.79 N ATOM 887 CA SER A 54 -2.609 0.097 12.957 1.00 0.89 C ATOM 888 C SER A 54 -3.891 0.606 12.305 1.00 0.95 C ATOM 889 O SER A 54 -4.994 0.307 12.765 1.00 1.89 O ATOM 890 CB SER A 54 -1.686 1.275 13.279 1.00 1.00 C ATOM 891 OG SER A 54 -2.154 1.998 14.404 1.00 1.71 O ATOM 0 H SER A 54 -1.970 -0.631 11.096 1.00 0.79 H new ATOM 0 HA SER A 54 -2.871 -0.415 13.883 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.678 0.909 13.472 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.624 1.939 12.417 1.00 1.00 H new ATOM 0 HG SER A 54 -1.546 2.744 14.590 1.00 1.71 H new ATOM 897 N ASN A 55 -3.738 1.376 11.232 1.00 0.75 N ATOM 898 CA ASN A 55 -4.882 1.925 10.517 1.00 0.69 C ATOM 899 C ASN A 55 -4.426 2.848 9.389 1.00 0.66 C ATOM 900 O ASN A 55 -3.350 3.442 9.452 1.00 1.05 O ATOM 901 CB ASN A 55 -5.800 2.684 11.485 1.00 0.84 C ATOM 902 CG ASN A 55 -6.889 3.470 10.774 1.00 1.11 C ATOM 903 OD1 ASN A 55 -6.749 4.670 10.538 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.980 2.796 10.431 1.00 0.83 N ATOM 0 H ASN A 55 -2.832 1.633 10.840 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.439 1.097 10.078 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.261 1.975 12.172 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.200 3.367 12.087 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.744 3.272 9.952 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.054 1.802 10.646 1.00 0.83 H new ATOM 911 N ILE A 56 -5.261 2.964 8.362 1.00 0.40 N ATOM 912 CA ILE A 56 -4.962 3.812 7.217 1.00 0.33 C ATOM 913 C ILE A 56 -6.244 4.375 6.618 1.00 0.31 C ATOM 914 O ILE A 56 -6.582 4.092 5.468 1.00 0.53 O ATOM 915 CB ILE A 56 -4.193 3.041 6.128 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.049 2.239 6.748 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.662 4.003 5.075 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.199 1.514 5.729 1.00 0.69 C ATOM 0 H ILE A 56 -6.155 2.477 8.301 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.335 4.628 7.576 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.878 2.344 5.646 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.415 2.912 7.325 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.463 1.512 7.447 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.121 3.444 4.312 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.495 4.534 4.614 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -2.990 4.721 5.544 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.407 0.966 6.240 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.820 0.816 5.168 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.756 2.237 5.044 1.00 0.69 H new ATOM 930 N LEU A 57 -6.956 5.169 7.409 1.00 0.44 N ATOM 931 CA LEU A 57 -8.208 5.771 6.965 1.00 0.45 C ATOM 932 C LEU A 57 -8.018 6.543 5.663 1.00 0.42 C ATOM 933 O LEU A 57 -8.641 6.227 4.650 1.00 0.60 O ATOM 934 CB LEU A 57 -8.764 6.698 8.049 1.00 0.48 C ATOM 935 CG LEU A 57 -10.258 7.016 7.935 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.051 5.760 7.607 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.766 7.648 9.223 1.00 1.60 C ATOM 0 H LEU A 57 -6.687 5.411 8.363 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.921 4.967 6.782 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.579 6.243 9.022 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.207 7.635 8.024 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.397 7.729 7.122 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.110 6.008 7.530 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.705 5.349 6.659 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.907 5.022 8.397 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.829 7.868 9.126 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.613 6.957 10.052 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.220 8.572 9.415 1.00 1.60 H new ATOM 949 N GLU A 58 -7.156 7.555 5.694 1.00 0.39 N ATOM 950 CA GLU A 58 -6.891 8.364 4.516 1.00 0.43 C ATOM 951 C GLU A 58 -6.049 7.589 3.513 1.00 0.51 C ATOM 952 O GLU A 58 -5.482 6.547 3.839 1.00 1.09 O ATOM 953 CB GLU A 58 -6.177 9.658 4.909 1.00 0.44 C ATOM 954 CG GLU A 58 -4.845 9.430 5.602 1.00 0.44 C ATOM 955 CD GLU A 58 -4.865 9.850 7.059 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.769 9.399 7.794 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.975 10.627 7.466 1.00 1.54 O ATOM 0 H GLU A 58 -6.631 7.832 6.523 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.845 8.614 4.051 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.014 10.259 4.015 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.826 10.236 5.567 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.581 8.374 5.536 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.067 9.986 5.078 1.00 0.44 H new ATOM 964 N ASN A 59 -5.973 8.101 2.293 1.00 0.31 N ATOM 965 CA ASN A 59 -5.201 7.447 1.243 1.00 0.28 C ATOM 966 C ASN A 59 -3.717 7.817 1.307 1.00 0.28 C ATOM 967 O ASN A 59 -2.947 7.468 0.413 1.00 0.49 O ATOM 968 CB ASN A 59 -5.769 7.793 -0.133 1.00 0.32 C ATOM 969 CG ASN A 59 -5.867 9.287 -0.361 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.417 10.082 0.462 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.463 9.676 -1.481 1.00 0.91 N ATOM 0 H ASN A 59 -6.434 8.964 2.005 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.281 6.372 1.405 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.138 7.352 -0.904 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.758 7.347 -0.237 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.562 10.670 -1.687 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.822 8.981 -2.136 1.00 0.91 H new ATOM 978 N GLU A 60 -3.316 8.511 2.369 1.00 0.29 N ATOM 979 CA GLU A 60 -1.924 8.907 2.544 1.00 0.29 C ATOM 980 C GLU A 60 -1.339 8.196 3.756 1.00 0.27 C ATOM 981 O GLU A 60 -1.685 8.510 4.894 1.00 0.35 O ATOM 982 CB GLU A 60 -1.813 10.423 2.720 1.00 0.34 C ATOM 983 CG GLU A 60 -0.383 10.939 2.675 1.00 0.49 C ATOM 984 CD GLU A 60 -0.305 12.449 2.775 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.198 13.127 2.222 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.647 12.954 3.403 1.00 1.91 O ATOM 0 H GLU A 60 -3.937 8.810 3.121 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.363 8.623 1.653 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.392 10.914 1.938 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.262 10.703 3.673 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.186 10.495 3.492 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.087 10.615 1.746 1.00 0.49 H new ATOM 993 N PHE A 61 -0.465 7.225 3.511 1.00 0.24 N ATOM 994 CA PHE A 61 0.136 6.468 4.605 1.00 0.24 C ATOM 995 C PHE A 61 1.606 6.147 4.334 1.00 0.24 C ATOM 996 O PHE A 61 2.086 6.269 3.207 1.00 0.25 O ATOM 997 CB PHE A 61 -0.662 5.176 4.833 1.00 0.28 C ATOM 998 CG PHE A 61 0.027 4.174 5.714 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.120 4.225 7.090 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.824 3.183 5.164 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.515 3.305 7.902 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.459 2.263 5.969 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.308 2.324 7.341 1.00 0.48 C ATOM 0 H PHE A 61 -0.160 6.946 2.579 1.00 0.24 H new ATOM 0 HA PHE A 61 0.101 7.083 5.504 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.625 5.430 5.275 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.867 4.714 3.867 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.738 4.992 7.533 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.949 3.131 4.092 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.391 3.353 8.974 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.075 1.494 5.527 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.809 1.606 7.973 1.00 0.48 H new ATOM 1013 N THR A 62 2.310 5.731 5.386 1.00 0.25 N ATOM 1014 CA THR A 62 3.719 5.384 5.282 1.00 0.27 C ATOM 1015 C THR A 62 3.954 3.933 5.668 1.00 0.29 C ATOM 1016 O THR A 62 3.639 3.520 6.784 1.00 0.35 O ATOM 1017 CB THR A 62 4.565 6.306 6.159 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.299 7.666 5.864 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.054 6.084 6.000 1.00 0.37 C ATOM 0 H THR A 62 1.921 5.627 6.323 1.00 0.25 H new ATOM 0 HA THR A 62 4.020 5.514 4.242 1.00 0.27 H new ATOM 0 HB THR A 62 4.285 6.063 7.184 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.508 7.844 4.923 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.596 6.771 6.650 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.300 5.057 6.271 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.340 6.264 4.964 1.00 0.37 H new ATOM 1027 N VAL A 63 4.515 3.159 4.740 1.00 0.31 N ATOM 1028 CA VAL A 63 4.788 1.756 4.993 1.00 0.36 C ATOM 1029 C VAL A 63 6.137 1.572 5.672 1.00 0.38 C ATOM 1030 O VAL A 63 7.186 1.760 5.055 1.00 0.50 O ATOM 1031 CB VAL A 63 4.763 0.940 3.689 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.791 -0.548 3.989 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.542 1.302 2.861 1.00 0.58 C ATOM 0 H VAL A 63 4.786 3.483 3.812 1.00 0.31 H new ATOM 0 HA VAL A 63 4.002 1.393 5.656 1.00 0.36 H new ATOM 0 HB VAL A 63 5.653 1.185 3.110 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.773 -1.108 3.054 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.700 -0.791 4.540 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.921 -0.815 4.589 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.539 0.716 1.942 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.639 1.087 3.432 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.571 2.363 2.615 1.00 0.58 H new ATOM 1043 N SER A 64 6.101 1.202 6.945 1.00 0.49 N ATOM 1044 CA SER A 64 7.322 0.993 7.709 1.00 0.55 C ATOM 1045 C SER A 64 7.669 -0.487 7.781 1.00 0.63 C ATOM 1046 O SER A 64 6.815 -1.324 8.076 1.00 0.99 O ATOM 1047 CB SER A 64 7.174 1.568 9.117 1.00 0.63 C ATOM 1048 OG SER A 64 5.812 1.780 9.445 1.00 1.33 O ATOM 0 H SER A 64 5.241 1.041 7.469 1.00 0.49 H new ATOM 0 HA SER A 64 8.134 1.512 7.200 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.623 0.886 9.840 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.718 2.510 9.187 1.00 0.63 H new ATOM 0 HG SER A 64 5.747 2.147 10.352 1.00 1.33 H new ATOM 1054 N GLY A 65 8.927 -0.803 7.503 1.00 0.71 N ATOM 1055 CA GLY A 65 9.369 -2.182 7.536 1.00 0.78 C ATOM 1056 C GLY A 65 10.342 -2.513 6.418 1.00 0.72 C ATOM 1057 O GLY A 65 10.983 -3.563 6.441 1.00 0.90 O ATOM 0 H GLY A 65 9.650 -0.127 7.255 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.843 -2.384 8.496 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.502 -2.839 7.464 1.00 0.78 H new ATOM 1061 N LEU A 66 10.453 -1.621 5.436 1.00 0.64 N ATOM 1062 CA LEU A 66 11.356 -1.838 4.315 1.00 0.65 C ATOM 1063 C LEU A 66 12.785 -2.036 4.806 1.00 0.59 C ATOM 1064 O LEU A 66 13.031 -2.154 6.006 1.00 0.65 O ATOM 1065 CB LEU A 66 11.297 -0.653 3.340 1.00 0.74 C ATOM 1066 CG LEU A 66 9.902 -0.230 2.826 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.796 -1.195 3.252 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.580 1.182 3.289 1.00 0.89 C ATOM 0 H LEU A 66 9.930 -0.746 5.396 1.00 0.64 H new ATOM 0 HA LEU A 66 11.038 -2.740 3.793 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.753 0.209 3.828 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.916 -0.895 2.476 1.00 0.74 H new ATOM 0 HG LEU A 66 9.941 -0.258 1.737 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.839 -0.847 2.862 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.008 -2.189 2.858 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.750 -1.239 4.340 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.595 1.470 2.921 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.585 1.218 4.378 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.329 1.872 2.900 1.00 0.89 H new ATOM 1080 N THR A 67 13.725 -2.072 3.870 1.00 0.65 N ATOM 1081 CA THR A 67 15.129 -2.255 4.202 1.00 0.69 C ATOM 1082 C THR A 67 16.017 -1.791 3.054 1.00 0.72 C ATOM 1083 O THR A 67 15.591 -1.766 1.899 1.00 1.06 O ATOM 1084 CB THR A 67 15.411 -3.723 4.520 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.493 -4.213 5.480 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.807 -3.964 5.054 1.00 0.99 C ATOM 0 H THR A 67 13.538 -1.976 2.872 1.00 0.65 H new ATOM 0 HA THR A 67 15.354 -1.652 5.082 1.00 0.69 H new ATOM 0 HB THR A 67 15.308 -4.248 3.571 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.156 -3.468 6.020 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.940 -5.026 5.259 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.540 -3.643 4.314 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.948 -3.397 5.974 1.00 0.99 H new ATOM 1094 N GLU A 68 17.250 -1.421 3.377 1.00 0.66 N ATOM 1095 CA GLU A 68 18.191 -0.954 2.369 1.00 0.67 C ATOM 1096 C GLU A 68 18.576 -2.080 1.413 1.00 0.60 C ATOM 1097 O GLU A 68 18.702 -3.236 1.817 1.00 0.69 O ATOM 1098 CB GLU A 68 19.445 -0.388 3.035 1.00 0.76 C ATOM 1099 CG GLU A 68 19.273 1.028 3.555 1.00 0.96 C ATOM 1100 CD GLU A 68 20.258 1.366 4.658 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.237 0.682 5.702 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.050 2.314 4.476 1.00 1.91 O ATOM 0 H GLU A 68 17.620 -1.435 4.327 1.00 0.66 H new ATOM 0 HA GLU A 68 17.703 -0.166 1.795 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.731 -1.037 3.862 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.266 -0.405 2.318 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.399 1.732 2.732 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.257 1.153 3.929 1.00 0.96 H new ATOM 1109 N ASP A 69 18.765 -1.728 0.145 1.00 0.52 N ATOM 1110 CA ASP A 69 19.139 -2.698 -0.877 1.00 0.49 C ATOM 1111 C ASP A 69 18.059 -3.763 -1.058 1.00 0.44 C ATOM 1112 O ASP A 69 18.366 -4.950 -1.162 1.00 0.54 O ATOM 1113 CB ASP A 69 20.467 -3.366 -0.514 1.00 0.59 C ATOM 1114 CG ASP A 69 20.401 -4.878 -0.609 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.099 -5.391 -1.707 1.00 1.87 O ATOM 1116 OD2 ASP A 69 20.652 -5.548 0.416 1.00 1.66 O ATOM 0 H ASP A 69 18.665 -0.773 -0.200 1.00 0.52 H new ATOM 0 HA ASP A 69 19.249 -2.160 -1.819 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.249 -2.997 -1.178 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.749 -3.081 0.500 1.00 0.59 H new ATOM 1121 N ALA A 70 16.796 -3.342 -1.097 1.00 0.40 N ATOM 1122 CA ALA A 70 15.698 -4.285 -1.268 1.00 0.40 C ATOM 1123 C ALA A 70 14.461 -3.613 -1.851 1.00 0.35 C ATOM 1124 O ALA A 70 13.858 -2.745 -1.221 1.00 0.36 O ATOM 1125 CB ALA A 70 15.357 -4.939 0.060 1.00 0.49 C ATOM 0 H ALA A 70 16.512 -2.366 -1.013 1.00 0.40 H new ATOM 0 HA ALA A 70 16.026 -5.048 -1.974 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.535 -5.641 -0.081 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.229 -5.472 0.438 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.061 -4.173 0.777 1.00 0.49 H new ATOM 1131 N ALA A 71 14.081 -4.029 -3.054 1.00 0.33 N ATOM 1132 CA ALA A 71 12.907 -3.475 -3.711 1.00 0.30 C ATOM 1133 C ALA A 71 11.646 -3.936 -2.996 1.00 0.27 C ATOM 1134 O ALA A 71 11.482 -5.123 -2.713 1.00 0.36 O ATOM 1135 CB ALA A 71 12.879 -3.877 -5.177 1.00 0.34 C ATOM 0 H ALA A 71 14.568 -4.746 -3.591 1.00 0.33 H new ATOM 0 HA ALA A 71 12.953 -2.387 -3.662 1.00 0.30 H new ATOM 0 HB1 ALA A 71 11.994 -3.454 -5.653 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.773 -3.502 -5.674 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.849 -4.964 -5.256 1.00 0.34 H new ATOM 1141 N TYR A 72 10.765 -2.994 -2.687 1.00 0.24 N ATOM 1142 CA TYR A 72 9.534 -3.321 -1.981 1.00 0.24 C ATOM 1143 C TYR A 72 8.287 -2.858 -2.737 1.00 0.21 C ATOM 1144 O TYR A 72 8.094 -1.664 -2.965 1.00 0.23 O ATOM 1145 CB TYR A 72 9.557 -2.688 -0.592 1.00 0.30 C ATOM 1146 CG TYR A 72 10.405 -3.435 0.410 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.891 -4.505 1.141 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.728 -3.071 0.624 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.678 -5.183 2.053 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.519 -3.745 1.531 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.944 -4.823 2.267 1.00 0.46 C ATOM 1152 OH TYR A 72 12.774 -5.475 3.152 1.00 0.56 O ATOM 0 H TYR A 72 10.878 -2.006 -2.912 1.00 0.24 H new ATOM 0 HA TYR A 72 9.482 -4.407 -1.901 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.927 -1.666 -0.676 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.536 -2.627 -0.215 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.865 -4.808 0.993 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.146 -2.244 0.069 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.262 -6.016 2.600 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.551 -3.463 1.681 1.00 0.42 H new ATOM 0 HH TYR A 72 13.089 -4.843 3.832 1.00 0.56 H new ATOM 1162 N GLU A 73 7.434 -3.816 -3.101 1.00 0.21 N ATOM 1163 CA GLU A 73 6.186 -3.522 -3.811 1.00 0.21 C ATOM 1164 C GLU A 73 5.028 -3.511 -2.816 1.00 0.23 C ATOM 1165 O GLU A 73 5.038 -4.284 -1.857 1.00 0.32 O ATOM 1166 CB GLU A 73 5.927 -4.580 -4.888 1.00 0.25 C ATOM 1167 CG GLU A 73 6.169 -4.093 -6.307 1.00 0.65 C ATOM 1168 CD GLU A 73 6.211 -5.228 -7.311 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.799 -6.283 -6.991 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.654 -5.063 -8.417 1.00 1.32 O ATOM 0 H GLU A 73 7.585 -4.808 -2.915 1.00 0.21 H new ATOM 0 HA GLU A 73 6.270 -2.546 -4.289 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.567 -5.442 -4.697 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.896 -4.924 -4.804 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.381 -3.394 -6.587 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.110 -3.545 -6.344 1.00 0.65 H new ATOM 1177 N PHE A 74 4.028 -2.646 -3.015 1.00 0.22 N ATOM 1178 CA PHE A 74 2.904 -2.618 -2.059 1.00 0.28 C ATOM 1179 C PHE A 74 1.527 -2.490 -2.710 1.00 0.25 C ATOM 1180 O PHE A 74 1.226 -1.499 -3.367 1.00 0.30 O ATOM 1181 CB PHE A 74 3.053 -1.488 -1.031 1.00 0.39 C ATOM 1182 CG PHE A 74 4.404 -0.841 -0.976 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.423 -1.392 -0.222 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.648 0.329 -1.670 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.665 -0.788 -0.163 1.00 0.49 C ATOM 1186 CE2 PHE A 74 5.882 0.938 -1.618 1.00 0.60 C ATOM 1187 CZ PHE A 74 6.894 0.380 -0.863 1.00 0.53 C ATOM 0 H PHE A 74 3.967 -1.984 -3.788 1.00 0.22 H new ATOM 0 HA PHE A 74 2.955 -3.590 -1.569 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.310 -0.721 -1.250 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.819 -1.885 -0.043 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.247 -2.305 0.327 1.00 0.42 H new ATOM 0 HD2 PHE A 74 3.860 0.772 -2.261 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.454 -1.228 0.429 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.058 1.851 -2.167 1.00 0.60 H new ATOM 0 HZ PHE A 74 7.863 0.856 -0.820 1.00 0.53 H new ATOM 1197 N ARG A 75 0.680 -3.492 -2.479 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.689 -3.489 -3.006 1.00 0.34 C ATOM 1199 C ARG A 75 -1.637 -2.919 -1.962 1.00 0.31 C ATOM 1200 O ARG A 75 -1.458 -3.152 -0.768 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.149 -4.901 -3.408 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.361 -6.029 -2.758 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.056 -7.371 -2.919 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.687 -8.035 -4.165 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.382 -9.034 -4.701 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.476 -9.479 -4.101 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.981 -9.587 -5.838 1.00 1.87 N ATOM 0 H ARG A 75 0.916 -4.319 -1.930 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.702 -2.867 -3.901 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.202 -5.014 -3.149 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.074 -4.999 -4.491 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.634 -6.080 -3.201 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.227 -5.814 -1.698 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.801 -8.014 -2.077 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.136 -7.225 -2.893 1.00 1.08 H new ATOM 0 HE ARG A 75 0.150 -7.715 -4.652 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.786 -9.055 -3.227 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.008 -10.245 -4.513 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.139 -9.246 -6.302 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.515 -10.353 -6.248 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.637 -2.163 -2.402 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.582 -1.566 -1.465 1.00 0.39 C ATOM 1223 C VAL A 76 -4.886 -2.350 -1.369 1.00 0.31 C ATOM 1224 O VAL A 76 -5.719 -2.317 -2.274 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.906 -0.100 -1.821 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.850 0.502 -0.787 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.634 0.725 -1.918 1.00 0.54 C ATOM 0 H VAL A 76 -2.813 -1.951 -3.384 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.083 -1.598 -0.496 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.398 -0.086 -2.793 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.069 1.536 -1.053 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.777 -0.071 -0.764 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.380 0.471 0.196 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.887 1.755 -2.170 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.112 0.703 -0.961 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.989 0.310 -2.693 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.056 -3.031 -0.243 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.251 -3.801 0.030 1.00 0.31 C ATOM 1239 C ILE A 77 -7.058 -3.041 1.075 1.00 0.30 C ATOM 1240 O ILE A 77 -6.486 -2.307 1.872 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.891 -5.221 0.547 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.538 -6.139 -0.618 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.020 -5.835 1.365 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.209 -7.549 -0.183 1.00 0.42 C ATOM 0 H ILE A 77 -4.364 -3.062 0.506 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.832 -3.929 -0.884 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.025 -5.115 1.201 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.374 -6.166 -1.317 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.686 -5.723 -1.156 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.724 -6.827 1.706 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.230 -5.203 2.228 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.915 -5.915 0.748 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.967 -8.152 -1.058 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.355 -7.531 0.494 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.068 -7.982 0.329 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.370 -3.203 1.079 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.185 -2.495 2.058 1.00 0.30 C ATOM 1258 C ALA A 78 -10.648 -2.864 1.944 1.00 0.34 C ATOM 1259 O ALA A 78 -11.172 -3.020 0.849 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.015 -0.993 1.887 1.00 0.39 C ATOM 0 H ALA A 78 -8.886 -3.802 0.434 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.844 -2.792 3.050 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.627 -0.471 2.622 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.968 -0.726 2.032 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.327 -0.703 0.884 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.318 -2.994 3.078 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.726 -3.329 3.055 1.00 0.43 C ATOM 1268 C LYS A 79 -13.531 -2.105 2.640 1.00 0.59 C ATOM 1269 O LYS A 79 -13.009 -1.218 1.965 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.196 -3.869 4.407 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.396 -5.059 4.905 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.314 -6.176 5.375 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.547 -6.107 6.874 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.674 -6.979 7.302 1.00 1.98 N ATOM 0 H LYS A 79 -10.916 -2.875 4.008 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.885 -4.123 2.325 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.139 -3.070 5.146 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.245 -4.156 4.328 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.750 -5.426 4.108 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.747 -4.748 5.724 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.269 -6.108 4.853 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -12.877 -7.141 5.117 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.638 -6.406 7.397 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.756 -5.077 7.162 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -15.282 -6.459 7.966 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -15.231 -7.260 6.470 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.298 -7.828 7.770 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.793 -2.054 3.025 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.642 -0.937 2.665 1.00 0.70 C ATOM 1290 C ASN A 80 -16.532 -0.541 3.836 1.00 0.87 C ATOM 1291 O ASN A 80 -16.230 0.402 4.568 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.457 -1.302 1.414 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.800 -2.785 1.330 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.919 -3.626 1.154 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.082 -3.112 1.458 1.00 2.05 N ATOM 0 H ASN A 80 -15.251 -2.772 3.586 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.028 -0.068 2.429 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.380 -0.722 1.408 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.894 -1.015 0.526 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.366 -4.091 1.411 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -18.782 -2.384 1.603 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.610 -1.273 4.017 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.537 -1.024 5.106 1.00 0.82 C ATOM 1304 C ALA A 81 -19.380 -2.268 5.382 1.00 0.88 C ATOM 1305 O ALA A 81 -19.621 -2.626 6.535 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.427 0.171 4.799 1.00 0.83 C ATOM 0 H ALA A 81 -17.870 -2.056 3.417 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.959 -0.792 6.001 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.113 0.337 5.630 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.809 1.057 4.656 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.998 -0.024 3.891 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.823 -2.923 4.308 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.638 -4.127 4.415 1.00 0.90 C ATOM 1314 C ALA A 82 -19.807 -5.345 4.820 1.00 0.88 C ATOM 1315 O ALA A 82 -20.361 -6.378 5.199 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.350 -4.390 3.097 1.00 0.94 C ATOM 0 H ALA A 82 -19.628 -2.635 3.349 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.376 -3.960 5.200 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.957 -5.291 3.185 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.991 -3.543 2.855 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.613 -4.525 2.306 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.483 -5.228 4.742 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.625 -6.338 5.108 1.00 0.86 C ATOM 1324 C GLY A 83 -17.155 -7.146 3.909 1.00 0.78 C ATOM 1325 O GLY A 83 -16.442 -8.137 4.070 1.00 0.93 O ATOM 0 H GLY A 83 -17.993 -4.388 4.433 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.757 -5.957 5.645 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.161 -6.994 5.794 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.545 -6.727 2.706 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.142 -7.435 1.490 1.00 0.78 C ATOM 1331 C ALA A 84 -15.635 -7.625 1.463 1.00 0.76 C ATOM 1332 O ALA A 84 -15.131 -8.668 1.873 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.626 -6.691 0.251 1.00 0.92 C ATOM 0 H ALA A 84 -18.134 -5.909 2.547 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.607 -8.421 1.490 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.317 -7.233 -0.643 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.713 -6.617 0.272 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.195 -5.690 0.236 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.952 -6.588 0.996 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.485 -6.525 0.898 1.00 0.40 C ATOM 1341 C ILE A 85 -13.013 -6.110 -0.482 1.00 0.38 C ATOM 1342 O ILE A 85 -13.152 -6.858 -1.450 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.742 -7.834 1.263 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.236 -7.557 1.339 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.030 -8.928 0.240 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.717 -7.451 2.757 1.00 0.79 C ATOM 0 H ILE A 85 -15.409 -5.739 0.663 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.232 -5.771 1.644 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.097 -8.183 2.233 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.701 -8.354 0.822 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -11.017 -6.630 0.809 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.497 -9.837 0.519 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.101 -9.129 0.214 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.699 -8.601 -0.746 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.645 -7.254 2.738 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.227 -6.636 3.271 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.905 -8.386 3.284 1.00 0.79 H new ATOM 1358 N SER A 86 -12.417 -4.928 -0.555 1.00 0.39 N ATOM 1359 CA SER A 86 -11.879 -4.441 -1.812 1.00 0.45 C ATOM 1360 C SER A 86 -10.580 -5.188 -2.084 1.00 0.44 C ATOM 1361 O SER A 86 -9.589 -4.987 -1.369 1.00 0.43 O ATOM 1362 CB SER A 86 -11.630 -2.930 -1.756 1.00 0.54 C ATOM 1363 OG SER A 86 -10.296 -2.634 -1.367 1.00 0.59 O ATOM 0 H SER A 86 -12.296 -4.295 0.236 1.00 0.39 H new ATOM 0 HA SER A 86 -12.594 -4.619 -2.615 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.830 -2.491 -2.733 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.325 -2.472 -1.052 1.00 0.54 H new ATOM 0 HG SER A 86 -10.271 -2.439 -0.407 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.554 -6.071 -3.096 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.362 -6.852 -3.422 1.00 0.61 C ATOM 1371 C PRO A 87 -8.123 -5.981 -3.612 1.00 0.54 C ATOM 1372 O PRO A 87 -8.223 -4.763 -3.751 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.737 -7.587 -4.717 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.966 -6.906 -5.216 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.672 -6.392 -3.997 1.00 0.59 C ATOM 0 HA PRO A 87 -9.093 -7.532 -2.614 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.931 -7.530 -5.449 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.922 -8.645 -4.529 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.713 -6.091 -5.894 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.599 -7.598 -5.771 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.279 -5.515 -4.219 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.338 -7.140 -3.567 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.934 -6.603 -3.607 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.659 -5.896 -3.764 1.00 0.56 C ATOM 1385 C PRO A 88 -5.628 -4.981 -4.979 1.00 0.48 C ATOM 1386 O PRO A 88 -6.056 -5.359 -6.069 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.627 -7.024 -3.917 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.421 -8.268 -4.139 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.727 -8.049 -3.439 1.00 0.72 C ATOM 0 HA PRO A 88 -5.469 -5.237 -2.917 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.958 -6.832 -4.755 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.005 -7.110 -3.026 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.573 -8.450 -5.203 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.903 -9.139 -3.737 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.532 -8.630 -3.889 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.678 -8.333 -2.388 1.00 0.72 H new ATOM 1397 N SER A 89 -5.111 -3.772 -4.779 1.00 0.43 N ATOM 1398 CA SER A 89 -5.011 -2.795 -5.852 1.00 0.42 C ATOM 1399 C SER A 89 -3.569 -2.663 -6.330 1.00 0.35 C ATOM 1400 O SER A 89 -2.728 -2.091 -5.631 1.00 0.51 O ATOM 1401 CB SER A 89 -5.543 -1.435 -5.390 1.00 0.56 C ATOM 1402 OG SER A 89 -4.498 -0.611 -4.902 1.00 1.28 O ATOM 0 H SER A 89 -4.755 -3.447 -3.880 1.00 0.43 H new ATOM 0 HA SER A 89 -5.620 -3.143 -6.686 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.044 -0.937 -6.220 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.289 -1.580 -4.609 1.00 0.56 H new ATOM 0 HG SER A 89 -3.711 -1.162 -4.706 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.318 -3.207 -7.530 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.001 -3.200 -8.201 1.00 0.37 C ATOM 1410 C GLU A 90 -0.854 -2.687 -7.320 1.00 0.34 C ATOM 1411 O GLU A 90 -0.727 -1.484 -7.094 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.081 -2.352 -9.472 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.610 -3.110 -10.679 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.230 -2.457 -11.995 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.007 -1.229 -12.005 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -2.156 -3.175 -13.014 1.00 1.76 O ATOM 0 H GLU A 90 -4.040 -3.676 -8.077 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.771 -4.240 -8.433 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.723 -1.491 -9.284 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.089 -1.965 -9.703 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.225 -4.129 -10.660 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.696 -3.178 -10.612 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.001 -3.596 -6.812 1.00 0.30 N ATOM 1424 CA PRO A 91 1.133 -3.227 -5.956 1.00 0.29 C ATOM 1425 C PRO A 91 1.988 -2.103 -6.528 1.00 0.31 C ATOM 1426 O PRO A 91 2.473 -2.190 -7.657 1.00 0.55 O ATOM 1427 CB PRO A 91 1.955 -4.512 -5.886 1.00 0.36 C ATOM 1428 CG PRO A 91 0.971 -5.608 -6.091 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.078 -5.056 -7.023 1.00 0.39 C ATOM 0 HA PRO A 91 0.788 -2.852 -4.992 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.729 -4.528 -6.653 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.458 -4.607 -4.924 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.451 -6.488 -6.521 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.528 -5.917 -5.144 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.128 -5.322 -8.060 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.069 -5.443 -6.785 1.00 0.39 H new ATOM 1437 N SER A 92 2.191 -1.056 -5.731 1.00 0.27 N ATOM 1438 CA SER A 92 3.010 0.067 -6.150 1.00 0.31 C ATOM 1439 C SER A 92 4.390 -0.436 -6.506 1.00 0.27 C ATOM 1440 O SER A 92 4.861 -1.422 -5.927 1.00 0.24 O ATOM 1441 CB SER A 92 3.126 1.112 -5.043 1.00 0.39 C ATOM 1442 OG SER A 92 2.223 0.857 -3.991 1.00 1.23 O ATOM 0 H SER A 92 1.798 -0.967 -4.794 1.00 0.27 H new ATOM 0 HA SER A 92 2.538 0.535 -7.014 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.145 1.120 -4.655 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.934 2.103 -5.456 1.00 0.39 H new ATOM 0 HG SER A 92 2.100 1.672 -3.460 1.00 1.23 H new ATOM 1448 N ASP A 93 5.034 0.243 -7.450 1.00 0.33 N ATOM 1449 CA ASP A 93 6.374 -0.131 -7.898 1.00 0.36 C ATOM 1450 C ASP A 93 7.252 -0.540 -6.728 1.00 0.32 C ATOM 1451 O ASP A 93 7.099 -0.044 -5.613 1.00 0.56 O ATOM 1452 CB ASP A 93 7.037 1.021 -8.650 1.00 0.45 C ATOM 1453 CG ASP A 93 6.886 0.897 -10.154 1.00 0.89 C ATOM 1454 OD1 ASP A 93 7.226 -0.174 -10.698 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.430 1.873 -10.787 1.00 1.55 O ATOM 0 H ASP A 93 4.648 1.060 -7.923 1.00 0.33 H new ATOM 0 HA ASP A 93 6.264 -0.983 -8.570 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.601 1.964 -8.321 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.096 1.054 -8.396 1.00 0.45 H new ATOM 1460 N ALA A 94 8.172 -1.445 -6.998 1.00 0.33 N ATOM 1461 CA ALA A 94 9.082 -1.923 -5.975 1.00 0.28 C ATOM 1462 C ALA A 94 10.195 -0.912 -5.751 1.00 0.29 C ATOM 1463 O ALA A 94 10.999 -0.651 -6.646 1.00 0.41 O ATOM 1464 CB ALA A 94 9.655 -3.273 -6.366 1.00 0.34 C ATOM 0 H ALA A 94 8.309 -1.865 -7.918 1.00 0.33 H new ATOM 0 HA ALA A 94 8.531 -2.043 -5.042 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.336 -3.618 -5.588 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.844 -3.992 -6.484 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.197 -3.180 -7.307 1.00 0.34 H new ATOM 1470 N ILE A 95 10.233 -0.342 -4.556 1.00 0.25 N ATOM 1471 CA ILE A 95 11.246 0.646 -4.222 1.00 0.28 C ATOM 1472 C ILE A 95 12.489 -0.018 -3.643 1.00 0.26 C ATOM 1473 O ILE A 95 12.481 -0.495 -2.508 1.00 0.25 O ATOM 1474 CB ILE A 95 10.701 1.688 -3.227 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.461 2.370 -3.811 1.00 0.41 C ATOM 1476 CG2 ILE A 95 11.772 2.716 -2.890 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.158 1.770 -3.326 1.00 0.44 C ATOM 0 H ILE A 95 9.576 -0.546 -3.803 1.00 0.25 H new ATOM 0 HA ILE A 95 11.518 1.155 -5.146 1.00 0.28 H new ATOM 0 HB ILE A 95 10.418 1.180 -2.305 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.483 3.429 -3.553 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.499 2.306 -4.898 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.369 3.444 -2.186 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.630 2.214 -2.442 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.085 3.227 -3.800 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.322 2.302 -3.780 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.115 0.718 -3.608 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.098 1.858 -2.241 1.00 0.44 H new ATOM 1489 N THR A 96 13.557 -0.044 -4.438 1.00 0.29 N ATOM 1490 CA THR A 96 14.822 -0.649 -4.025 1.00 0.32 C ATOM 1491 C THR A 96 15.191 -0.258 -2.601 1.00 0.32 C ATOM 1492 O THR A 96 15.703 -1.079 -1.840 1.00 0.38 O ATOM 1493 CB THR A 96 15.944 -0.233 -4.980 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.651 -0.639 -6.305 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.291 -0.814 -4.608 1.00 0.43 C ATOM 0 H THR A 96 13.571 0.350 -5.379 1.00 0.29 H new ATOM 0 HA THR A 96 14.696 -1.731 -4.059 1.00 0.32 H new ATOM 0 HB THR A 96 16.001 0.853 -4.904 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.379 -0.363 -6.900 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.042 -0.480 -5.325 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.569 -0.478 -3.609 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.234 -1.902 -4.622 1.00 0.43 H new ATOM 1503 N CYS A 97 14.933 0.996 -2.242 1.00 0.32 N ATOM 1504 CA CYS A 97 15.250 1.477 -0.903 1.00 0.36 C ATOM 1505 C CYS A 97 16.720 1.211 -0.587 1.00 0.43 C ATOM 1506 O CYS A 97 17.092 0.089 -0.259 1.00 0.64 O ATOM 1507 CB CYS A 97 14.356 0.780 0.127 1.00 0.38 C ATOM 1508 SG CYS A 97 12.591 1.109 -0.082 1.00 1.10 S ATOM 0 H CYS A 97 14.509 1.692 -2.855 1.00 0.32 H new ATOM 0 HA CYS A 97 15.069 2.551 -0.859 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.523 -0.295 0.068 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.657 1.095 1.126 1.00 0.38 H new ATOM 0 HG CYS A 97 12.179 0.578 -1.195 1.00 1.10 H new ATOM 1514 N ARG A 98 17.556 2.241 -0.696 1.00 0.53 N ATOM 1515 CA ARG A 98 18.986 2.087 -0.430 1.00 0.63 C ATOM 1516 C ARG A 98 19.588 3.366 0.145 1.00 0.80 C ATOM 1517 O ARG A 98 19.649 3.544 1.360 1.00 1.04 O ATOM 1518 CB ARG A 98 19.729 1.674 -1.711 1.00 0.68 C ATOM 1519 CG ARG A 98 19.064 2.158 -2.996 1.00 0.74 C ATOM 1520 CD ARG A 98 20.060 2.795 -3.956 1.00 0.92 C ATOM 1521 NE ARG A 98 20.939 1.801 -4.574 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.180 1.524 -4.168 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.723 2.159 -3.135 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.885 0.600 -4.807 1.00 2.68 N ATOM 0 H ARG A 98 17.273 3.183 -0.964 1.00 0.53 H new ATOM 0 HA ARG A 98 19.103 1.300 0.315 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.746 2.064 -1.671 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.805 0.587 -1.740 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.574 1.318 -3.488 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.286 2.881 -2.750 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.520 3.334 -4.734 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.662 3.528 -3.420 1.00 0.92 H new ATOM 0 HE ARG A 98 20.577 1.282 -5.374 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.190 2.872 -2.637 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.673 1.933 -2.840 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.478 0.107 -5.602 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.834 0.382 -4.503 1.00 2.68 H new ATOM 1538 N ASP A 99 20.033 4.251 -0.733 1.00 0.92 N ATOM 1539 CA ASP A 99 20.628 5.513 -0.310 1.00 1.20 C ATOM 1540 C ASP A 99 19.601 6.641 -0.327 1.00 1.03 C ATOM 1541 O ASP A 99 19.859 7.733 0.181 1.00 1.20 O ATOM 1542 CB ASP A 99 21.814 5.869 -1.208 1.00 1.61 C ATOM 1543 CG ASP A 99 21.455 6.909 -2.250 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.094 8.038 -1.861 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.537 6.593 -3.457 1.00 2.14 O ATOM 0 H ASP A 99 19.994 4.120 -1.744 1.00 0.92 H new ATOM 0 HA ASP A 99 20.981 5.390 0.714 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.633 6.242 -0.593 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.173 4.968 -1.706 1.00 1.61 H new ATOM 1550 N ASP A 100 18.436 6.375 -0.910 1.00 0.85 N ATOM 1551 CA ASP A 100 17.377 7.370 -0.987 1.00 0.92 C ATOM 1552 C ASP A 100 17.901 8.682 -1.564 1.00 1.22 C ATOM 1553 O ASP A 100 17.335 9.747 -1.320 1.00 1.38 O ATOM 1554 CB ASP A 100 16.771 7.605 0.397 1.00 0.87 C ATOM 1555 CG ASP A 100 15.337 8.089 0.325 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.751 8.042 -0.776 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.801 8.516 1.370 1.00 2.06 O ATOM 0 H ASP A 100 18.203 5.478 -1.336 1.00 0.85 H new ATOM 0 HA ASP A 100 16.602 6.991 -1.653 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.811 6.679 0.970 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.373 8.338 0.934 1.00 0.87 H new