USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 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 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.2: A 62 THR OG1 : rot -88:sc= 1.18 USER MOD Set 3.1: A 14 THR OG1 : rot 57:sc= 0.9 USER MOD Set 3.2: A 17 THR OG1 : rot 75:sc=-0.00922 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.208 F(o=-1.4,f=-0.21) USER MOD Single : A 16 HIS : no HE2:sc= -3.21 K(o=-3.2,f=-4.9) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.136 (180deg=-0.482) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.524 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.281 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= -2.48! (180deg=-3.34!) USER MOD Single : A 45 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.0192 (180deg=-0.0192) USER MOD Single : A 52 ASN : amide:sc= -4.07 K(o=-4.1,f=-9.5!) USER MOD Single : A 54 SER OG : rot 72:sc= 1.3 USER MOD Single : A 55 ASN : amide:sc= -1.26! X(o=-1.3!,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -6.44! C(o=-6.4!,f=-14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -11.8! C(o=-12!,f=-21!) USER MOD Single : A 86 SER OG : rot -74:sc= 0.624 USER MOD Single : A 89 SER OG : rot -163:sc= 0.544 USER MOD Single : A 92 SER OG : rot -41:sc= -1.07! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -109:sc= -2.1 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -19.251 -3.261 -4.455 1.00 0.68 N ATOM 27 CA ILE A 2 -18.125 -2.607 -3.804 1.00 0.61 C ATOM 28 C ILE A 2 -16.994 -2.341 -4.792 1.00 0.57 C ATOM 29 O ILE A 2 -16.750 -3.132 -5.703 1.00 0.63 O ATOM 30 CB ILE A 2 -17.592 -3.456 -2.634 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.565 -2.657 -1.825 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.994 -4.757 -3.154 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.756 -3.493 -0.852 1.00 0.56 C ATOM 0 HA ILE A 2 -18.487 -1.655 -3.417 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.420 -3.708 -1.972 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.883 -2.160 -2.515 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.084 -1.875 -1.271 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.621 -5.347 -2.316 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.760 -5.323 -3.684 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.172 -4.533 -3.834 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.053 -2.853 -0.319 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.426 -3.969 -0.137 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.206 -4.259 -1.400 1.00 0.56 H new ATOM 45 N ASP A 3 -16.305 -1.220 -4.602 1.00 0.55 N ATOM 46 CA ASP A 3 -15.198 -0.849 -5.477 1.00 0.54 C ATOM 47 C ASP A 3 -13.979 -0.435 -4.652 1.00 0.47 C ATOM 48 O ASP A 3 -14.076 0.442 -3.792 1.00 0.49 O ATOM 49 CB ASP A 3 -15.615 0.294 -6.406 1.00 0.61 C ATOM 50 CG ASP A 3 -17.060 0.709 -6.202 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.960 -0.088 -6.540 1.00 2.00 O ATOM 52 OD2 ASP A 3 -17.290 1.831 -5.705 1.00 1.64 O ATOM 0 H ASP A 3 -16.493 -0.554 -3.852 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.932 -1.716 -6.082 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.966 1.153 -6.235 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.471 -0.013 -7.442 1.00 0.61 H new ATOM 57 N PRO A 4 -12.813 -1.058 -4.898 1.00 0.44 N ATOM 58 CA PRO A 4 -11.585 -0.742 -4.164 1.00 0.41 C ATOM 59 C PRO A 4 -10.980 0.593 -4.593 1.00 0.38 C ATOM 60 O PRO A 4 -11.293 1.112 -5.665 1.00 0.43 O ATOM 61 CB PRO A 4 -10.655 -1.899 -4.523 1.00 0.45 C ATOM 62 CG PRO A 4 -11.107 -2.331 -5.875 1.00 0.50 C ATOM 63 CD PRO A 4 -12.597 -2.118 -5.901 1.00 0.50 C ATOM 0 HA PRO A 4 -11.761 -0.638 -3.093 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.612 -1.582 -4.535 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.733 -2.711 -3.800 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.616 -1.749 -6.655 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.859 -3.377 -6.054 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.941 -1.811 -6.889 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.137 -3.029 -5.644 1.00 0.50 H new ATOM 71 N PRO A 5 -10.104 1.169 -3.754 1.00 0.37 N ATOM 72 CA PRO A 5 -9.454 2.453 -4.042 1.00 0.39 C ATOM 73 C PRO A 5 -8.655 2.437 -5.338 1.00 0.38 C ATOM 74 O PRO A 5 -8.691 1.469 -6.097 1.00 0.47 O ATOM 75 CB PRO A 5 -8.520 2.666 -2.849 1.00 0.46 C ATOM 76 CG PRO A 5 -9.070 1.802 -1.769 1.00 0.71 C ATOM 77 CD PRO A 5 -9.682 0.618 -2.456 1.00 0.43 C ATOM 0 HA PRO A 5 -10.190 3.246 -4.175 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.496 2.386 -3.095 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.500 3.713 -2.545 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.284 1.490 -1.081 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.814 2.339 -1.181 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.965 -0.194 -2.576 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.526 0.217 -1.894 1.00 0.43 H new ATOM 85 N GLY A 6 -7.936 3.528 -5.580 1.00 0.37 N ATOM 86 CA GLY A 6 -7.131 3.642 -6.784 1.00 0.39 C ATOM 87 C GLY A 6 -5.826 2.870 -6.701 1.00 0.42 C ATOM 88 O GLY A 6 -5.721 1.889 -5.963 1.00 0.66 O ATOM 0 H GLY A 6 -7.896 4.338 -4.962 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.707 3.280 -7.635 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.913 4.694 -6.971 1.00 0.39 H new ATOM 92 N LYS A 7 -4.831 3.316 -7.464 1.00 0.41 N ATOM 93 CA LYS A 7 -3.525 2.665 -7.483 1.00 0.44 C ATOM 94 C LYS A 7 -2.563 3.339 -6.499 1.00 0.37 C ATOM 95 O LYS A 7 -2.575 4.561 -6.358 1.00 0.42 O ATOM 96 CB LYS A 7 -2.944 2.708 -8.900 1.00 0.54 C ATOM 97 CG LYS A 7 -1.648 1.932 -9.057 1.00 0.64 C ATOM 98 CD LYS A 7 -0.437 2.832 -8.880 1.00 1.01 C ATOM 99 CE LYS A 7 0.835 2.156 -9.364 1.00 0.95 C ATOM 100 NZ LYS A 7 1.501 2.935 -10.445 1.00 1.52 N ATOM 0 H LYS A 7 -4.905 4.127 -8.078 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.652 1.627 -7.177 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.681 2.310 -9.597 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.770 3.747 -9.180 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.614 1.126 -8.324 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.617 1.468 -10.043 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.589 3.760 -9.430 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.331 3.099 -7.828 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.523 2.035 -8.527 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.599 1.157 -9.729 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.364 2.441 -10.748 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.854 3.029 -11.254 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.750 3.880 -10.089 1.00 1.52 H new ATOM 114 N PRO A 8 -1.711 2.557 -5.801 1.00 0.34 N ATOM 115 CA PRO A 8 -0.751 3.092 -4.836 1.00 0.32 C ATOM 116 C PRO A 8 0.528 3.584 -5.501 1.00 0.33 C ATOM 117 O PRO A 8 1.164 2.855 -6.260 1.00 0.44 O ATOM 118 CB PRO A 8 -0.452 1.893 -3.916 1.00 0.39 C ATOM 119 CG PRO A 8 -1.221 0.733 -4.475 1.00 0.44 C ATOM 120 CD PRO A 8 -1.600 1.100 -5.880 1.00 0.41 C ATOM 0 HA PRO A 8 -1.149 3.959 -4.309 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.616 1.677 -3.893 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.756 2.104 -2.891 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.616 -0.174 -4.462 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.109 0.533 -3.875 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.844 0.788 -6.600 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.539 0.636 -6.183 1.00 0.41 H new ATOM 128 N VAL A 9 0.898 4.828 -5.211 1.00 0.34 N ATOM 129 CA VAL A 9 2.104 5.415 -5.787 1.00 0.38 C ATOM 130 C VAL A 9 2.902 6.169 -4.730 1.00 0.34 C ATOM 131 O VAL A 9 2.539 7.283 -4.352 1.00 0.35 O ATOM 132 CB VAL A 9 1.781 6.390 -6.943 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.907 6.392 -7.966 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.453 6.044 -7.604 1.00 1.09 C ATOM 0 H VAL A 9 0.383 5.446 -4.584 1.00 0.34 H new ATOM 0 HA VAL A 9 2.691 4.584 -6.178 1.00 0.38 H new ATOM 0 HB VAL A 9 1.691 7.392 -6.523 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.664 7.083 -8.773 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.834 6.706 -7.486 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.031 5.388 -8.373 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.255 6.748 -8.412 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.500 5.032 -8.007 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.347 6.104 -6.866 1.00 1.09 H new ATOM 144 N PRO A 10 4.002 5.571 -4.229 1.00 0.34 N ATOM 145 CA PRO A 10 4.843 6.189 -3.212 1.00 0.32 C ATOM 146 C PRO A 10 4.985 7.701 -3.396 1.00 0.37 C ATOM 147 O PRO A 10 5.109 8.190 -4.519 1.00 0.64 O ATOM 148 CB PRO A 10 6.180 5.497 -3.404 1.00 0.38 C ATOM 149 CG PRO A 10 5.829 4.128 -3.882 1.00 0.39 C ATOM 150 CD PRO A 10 4.506 4.242 -4.608 1.00 0.42 C ATOM 0 HA PRO A 10 4.423 6.074 -2.213 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.799 6.024 -4.130 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.744 5.459 -2.472 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.602 3.741 -4.546 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.752 3.435 -3.045 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.635 4.157 -5.687 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.817 3.453 -4.307 1.00 0.42 H new ATOM 158 N LEU A 11 4.962 8.429 -2.287 1.00 0.34 N ATOM 159 CA LEU A 11 5.081 9.876 -2.307 1.00 0.43 C ATOM 160 C LEU A 11 6.449 10.301 -1.761 1.00 0.43 C ATOM 161 O LEU A 11 6.989 11.340 -2.141 1.00 0.57 O ATOM 162 CB LEU A 11 3.912 10.477 -1.501 1.00 0.56 C ATOM 163 CG LEU A 11 4.256 11.551 -0.467 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.697 12.822 -1.166 1.00 1.64 C ATOM 165 CD2 LEU A 11 3.063 11.813 0.439 1.00 1.12 C ATOM 0 H LEU A 11 4.861 8.032 -1.353 1.00 0.34 H new ATOM 0 HA LEU A 11 5.021 10.253 -3.328 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.199 10.903 -2.207 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.403 9.663 -0.986 1.00 0.56 H new ATOM 0 HG LEU A 11 5.080 11.197 0.153 1.00 0.92 H new ATOM 0 HD11 LEU A 11 4.940 13.581 -0.422 1.00 1.64 H new ATOM 0 HD12 LEU A 11 5.577 12.616 -1.775 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.891 13.184 -1.804 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.322 12.579 1.170 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.219 12.154 -0.160 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.792 10.894 0.958 1.00 1.12 H new ATOM 177 N ASN A 12 6.997 9.480 -0.871 1.00 0.34 N ATOM 178 CA ASN A 12 8.301 9.752 -0.267 1.00 0.36 C ATOM 179 C ASN A 12 8.882 8.471 0.309 1.00 0.37 C ATOM 180 O ASN A 12 8.387 7.961 1.306 1.00 0.58 O ATOM 181 CB ASN A 12 8.175 10.802 0.838 1.00 0.42 C ATOM 182 CG ASN A 12 9.522 11.266 1.356 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.221 10.387 2.072 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 9.935 12.402 1.118 1.00 0.71 N flip ATOM 0 H ASN A 12 6.558 8.617 -0.550 1.00 0.34 H new ATOM 0 HA ASN A 12 8.966 10.137 -1.040 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.621 11.660 0.458 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.595 10.388 1.663 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.368 13.045 0.565 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.844 12.699 1.474 1.00 0.71 H new ATOM 191 N ILE A 13 9.922 7.944 -0.320 1.00 0.38 N ATOM 192 CA ILE A 13 10.525 6.704 0.151 1.00 0.43 C ATOM 193 C ILE A 13 11.872 6.899 0.835 1.00 0.53 C ATOM 194 O ILE A 13 12.639 7.799 0.493 1.00 0.75 O ATOM 195 CB ILE A 13 10.680 5.716 -1.005 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.679 6.276 -2.038 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.303 5.454 -1.602 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.382 5.911 -3.478 1.00 0.96 C ATOM 0 H ILE A 13 10.362 8.348 -1.147 1.00 0.38 H new ATOM 0 HA ILE A 13 9.843 6.307 0.903 1.00 0.43 H new ATOM 0 HB ILE A 13 11.086 4.766 -0.658 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.698 7.362 -1.951 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.677 5.918 -1.787 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.393 4.750 -2.430 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.649 5.034 -0.838 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.880 6.390 -1.966 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.139 6.350 -4.128 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.394 4.827 -3.588 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.399 6.293 -3.755 1.00 0.96 H new ATOM 210 N THR A 14 12.148 6.026 1.805 1.00 0.59 N ATOM 211 CA THR A 14 13.400 6.063 2.552 1.00 0.71 C ATOM 212 C THR A 14 13.909 4.649 2.832 1.00 0.79 C ATOM 213 O THR A 14 13.185 3.669 2.677 1.00 1.46 O ATOM 214 CB THR A 14 13.237 6.825 3.868 1.00 0.75 C ATOM 215 OG1 THR A 14 11.880 7.152 4.101 1.00 0.69 O ATOM 216 CG2 THR A 14 14.030 8.114 3.912 1.00 0.94 C ATOM 0 H THR A 14 11.514 5.280 2.091 1.00 0.59 H new ATOM 0 HA THR A 14 14.132 6.586 1.937 1.00 0.71 H new ATOM 0 HB THR A 14 13.616 6.151 4.637 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.341 6.333 4.099 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.871 8.606 4.871 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.090 7.893 3.788 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.700 8.772 3.108 1.00 0.94 H new ATOM 224 N ARG A 15 15.166 4.572 3.240 1.00 0.66 N ATOM 225 CA ARG A 15 15.826 3.297 3.544 1.00 0.67 C ATOM 226 C ARG A 15 14.932 2.338 4.334 1.00 0.71 C ATOM 227 O ARG A 15 14.928 1.136 4.067 1.00 1.19 O ATOM 228 CB ARG A 15 17.118 3.535 4.339 1.00 0.80 C ATOM 229 CG ARG A 15 17.881 4.789 3.963 1.00 0.96 C ATOM 230 CD ARG A 15 17.672 5.879 5.003 1.00 1.13 C ATOM 231 NE ARG A 15 18.744 6.869 4.981 1.00 1.43 N ATOM 232 CZ ARG A 15 19.998 6.607 5.342 1.00 1.67 C ATOM 233 NH1 ARG A 15 20.331 5.390 5.752 1.00 2.42 N ATOM 234 NH2 ARG A 15 20.918 7.562 5.295 1.00 1.90 N ATOM 0 H ARG A 15 15.764 5.388 3.372 1.00 0.66 H new ATOM 0 HA ARG A 15 16.050 2.835 2.582 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.870 3.583 5.399 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.774 2.675 4.203 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.943 4.562 3.876 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.550 5.143 2.987 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.718 6.374 4.823 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.615 5.428 5.994 1.00 1.13 H new ATOM 0 HE ARG A 15 18.520 7.815 4.672 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.626 4.654 5.791 1.00 2.42 H new ATOM 0 HH12 ARG A 15 21.292 5.190 6.028 1.00 2.42 H new ATOM 0 HH21 ARG A 15 20.665 8.499 4.982 1.00 1.90 H new ATOM 0 HH22 ARG A 15 21.878 7.359 5.572 1.00 1.90 H new ATOM 248 N HIS A 16 14.197 2.850 5.318 1.00 0.50 N ATOM 249 CA HIS A 16 13.340 1.989 6.136 1.00 0.54 C ATOM 250 C HIS A 16 11.932 2.549 6.315 1.00 0.57 C ATOM 251 O HIS A 16 11.269 2.252 7.309 1.00 0.97 O ATOM 252 CB HIS A 16 13.980 1.770 7.507 1.00 0.67 C ATOM 253 CG HIS A 16 14.902 0.593 7.562 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.659 -0.541 8.307 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.092 0.386 6.944 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.686 -1.381 8.122 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.582 -0.866 7.303 1.00 0.86 N ATOM 0 H HIS A 16 14.175 3.839 5.567 1.00 0.50 H new ATOM 0 HA HIS A 16 13.245 1.042 5.605 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.533 2.667 7.787 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.192 1.637 8.248 1.00 0.67 H new ATOM 0 HD1 HIS A 16 13.843 -0.710 8.895 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.581 1.082 6.279 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.769 -2.354 8.584 1.00 1.02 H new ATOM 265 N THR A 17 11.465 3.337 5.360 1.00 0.43 N ATOM 266 CA THR A 17 10.120 3.893 5.451 1.00 0.42 C ATOM 267 C THR A 17 9.672 4.478 4.122 1.00 0.38 C ATOM 268 O THR A 17 10.217 5.479 3.664 1.00 0.56 O ATOM 269 CB THR A 17 10.055 4.969 6.534 1.00 0.56 C ATOM 270 OG1 THR A 17 11.354 5.436 6.854 1.00 0.65 O ATOM 271 CG2 THR A 17 9.410 4.490 7.818 1.00 0.68 C ATOM 0 H THR A 17 11.986 3.604 4.525 1.00 0.43 H new ATOM 0 HA THR A 17 9.446 3.078 5.714 1.00 0.42 H new ATOM 0 HB THR A 17 9.440 5.765 6.114 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.680 6.015 6.134 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.396 5.303 8.544 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.389 4.168 7.614 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.980 3.653 8.221 1.00 0.68 H new ATOM 279 N VAL A 18 8.674 3.861 3.497 1.00 0.27 N ATOM 280 CA VAL A 18 8.186 4.366 2.227 1.00 0.33 C ATOM 281 C VAL A 18 6.786 4.960 2.353 1.00 0.32 C ATOM 282 O VAL A 18 5.873 4.320 2.850 1.00 0.51 O ATOM 283 CB VAL A 18 8.235 3.304 1.089 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.488 2.454 1.170 1.00 0.46 C ATOM 285 CG2 VAL A 18 6.992 2.437 1.000 1.00 0.80 C ATOM 0 H VAL A 18 8.198 3.028 3.843 1.00 0.27 H new ATOM 0 HA VAL A 18 8.871 5.165 1.944 1.00 0.33 H new ATOM 0 HB VAL A 18 8.265 3.878 0.163 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.486 1.725 0.360 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.367 3.092 1.082 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.513 1.933 2.127 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.104 1.723 0.184 1.00 0.80 H new ATOM 0 HG22 VAL A 18 6.857 1.898 1.937 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.122 3.067 0.815 1.00 0.80 H new ATOM 295 N THR A 19 6.627 6.187 1.885 1.00 0.27 N ATOM 296 CA THR A 19 5.337 6.859 1.929 1.00 0.24 C ATOM 297 C THR A 19 4.653 6.719 0.584 1.00 0.22 C ATOM 298 O THR A 19 5.320 6.738 -0.448 1.00 0.34 O ATOM 299 CB THR A 19 5.496 8.340 2.281 1.00 0.28 C ATOM 300 OG1 THR A 19 5.804 8.504 3.655 1.00 0.35 O ATOM 301 CG2 THR A 19 4.250 9.148 1.988 1.00 0.32 C ATOM 0 H THR A 19 7.377 6.740 1.469 1.00 0.27 H new ATOM 0 HA THR A 19 4.729 6.393 2.705 1.00 0.24 H new ATOM 0 HB THR A 19 6.310 8.705 1.655 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.903 9.458 3.857 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.421 10.190 2.257 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.015 9.081 0.926 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.416 8.755 2.570 1.00 0.32 H new ATOM 309 N LEU A 20 3.327 6.585 0.595 1.00 0.28 N ATOM 310 CA LEU A 20 2.580 6.438 -0.649 1.00 0.26 C ATOM 311 C LEU A 20 1.199 7.078 -0.574 1.00 0.28 C ATOM 312 O LEU A 20 0.602 7.197 0.501 1.00 0.40 O ATOM 313 CB LEU A 20 2.443 4.958 -1.039 1.00 0.33 C ATOM 314 CG LEU A 20 3.245 3.955 -0.197 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.334 2.872 0.346 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.371 3.366 -1.022 1.00 0.50 C ATOM 0 H LEU A 20 2.756 6.575 1.440 1.00 0.28 H new ATOM 0 HA LEU A 20 3.151 6.961 -1.416 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.389 4.686 -0.983 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.746 4.849 -2.081 1.00 0.33 H new ATOM 0 HG LEU A 20 3.685 4.476 0.653 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.918 2.169 0.940 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.564 3.324 0.971 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.864 2.343 -0.483 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.934 2.656 -0.416 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.956 2.853 -1.890 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.034 4.164 -1.355 1.00 0.50 H new ATOM 328 N LYS A 21 0.703 7.485 -1.741 1.00 0.25 N ATOM 329 CA LYS A 21 -0.604 8.116 -1.857 1.00 0.31 C ATOM 330 C LYS A 21 -1.394 7.491 -3.013 1.00 0.31 C ATOM 331 O LYS A 21 -0.842 7.236 -4.086 1.00 0.51 O ATOM 332 CB LYS A 21 -0.425 9.629 -2.070 1.00 0.40 C ATOM 333 CG LYS A 21 -1.643 10.343 -2.645 1.00 0.81 C ATOM 334 CD LYS A 21 -2.812 10.329 -1.677 1.00 0.95 C ATOM 335 CE LYS A 21 -4.041 10.994 -2.280 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.700 12.266 -2.978 1.00 1.84 N ATOM 0 H LYS A 21 1.196 7.386 -2.628 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.168 7.955 -0.938 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.170 10.088 -1.115 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.422 9.790 -2.738 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.381 11.374 -2.884 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.938 9.864 -3.579 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.049 9.300 -1.406 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.532 10.844 -0.758 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.515 10.310 -2.984 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.767 11.196 -1.493 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.567 12.819 -3.135 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.040 12.817 -2.393 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.255 12.051 -3.893 1.00 1.84 H new ATOM 350 N TRP A 22 -2.684 7.245 -2.787 1.00 0.25 N ATOM 351 CA TRP A 22 -3.539 6.652 -3.809 1.00 0.24 C ATOM 352 C TRP A 22 -4.905 7.335 -3.846 1.00 0.24 C ATOM 353 O TRP A 22 -5.182 8.235 -3.055 1.00 0.40 O ATOM 354 CB TRP A 22 -3.722 5.160 -3.550 1.00 0.27 C ATOM 355 CG TRP A 22 -4.201 4.845 -2.168 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.467 4.494 -1.802 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.420 4.845 -0.968 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.522 4.277 -0.450 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.279 4.484 0.084 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.079 5.112 -0.679 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -3.840 4.387 1.400 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.649 5.012 0.633 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.536 4.649 1.657 1.00 0.32 C ATOM 0 H TRP A 22 -3.157 7.447 -1.906 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.051 6.794 -4.773 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.434 4.759 -4.272 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.773 4.651 -3.721 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.304 4.401 -2.479 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.354 4.005 0.073 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.392 5.391 -1.464 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.519 4.111 2.194 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.616 5.216 0.872 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.172 4.577 2.671 1.00 0.32 H new ATOM 374 N ALA A 23 -5.755 6.895 -4.770 1.00 0.31 N ATOM 375 CA ALA A 23 -7.094 7.459 -4.910 1.00 0.33 C ATOM 376 C ALA A 23 -8.107 6.661 -4.100 1.00 0.36 C ATOM 377 O ALA A 23 -7.736 5.827 -3.276 1.00 0.83 O ATOM 378 CB ALA A 23 -7.504 7.491 -6.375 1.00 0.36 C ATOM 0 H ALA A 23 -5.540 6.150 -5.433 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.074 8.479 -4.526 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.505 7.914 -6.464 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.800 8.105 -6.937 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.502 6.477 -6.776 1.00 0.36 H new ATOM 384 N LYS A 24 -9.389 6.914 -4.338 1.00 0.59 N ATOM 385 CA LYS A 24 -10.444 6.207 -3.625 1.00 0.61 C ATOM 386 C LYS A 24 -11.572 5.797 -4.574 1.00 0.59 C ATOM 387 O LYS A 24 -11.695 6.331 -5.676 1.00 0.69 O ATOM 388 CB LYS A 24 -10.984 7.065 -2.473 1.00 0.74 C ATOM 389 CG LYS A 24 -11.996 8.118 -2.894 1.00 1.21 C ATOM 390 CD LYS A 24 -13.416 7.668 -2.594 1.00 1.22 C ATOM 391 CE LYS A 24 -14.438 8.596 -3.228 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.606 9.851 -2.446 1.00 2.11 N ATOM 0 H LYS A 24 -9.721 7.600 -5.016 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.017 5.297 -3.204 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.446 6.410 -1.734 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.146 7.560 -1.981 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.790 9.053 -2.372 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.893 8.319 -3.960 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.564 6.654 -2.965 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.569 7.638 -1.515 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.127 8.840 -4.244 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.397 8.083 -3.303 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.311 10.458 -2.911 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.928 9.620 -1.484 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.697 10.353 -2.396 1.00 2.11 H new ATOM 406 N PRO A 25 -12.409 4.830 -4.154 1.00 0.56 N ATOM 407 CA PRO A 25 -13.527 4.335 -4.967 1.00 0.63 C ATOM 408 C PRO A 25 -14.533 5.422 -5.330 1.00 0.75 C ATOM 409 O PRO A 25 -14.356 6.589 -4.989 1.00 0.89 O ATOM 410 CB PRO A 25 -14.190 3.281 -4.072 1.00 0.63 C ATOM 411 CG PRO A 25 -13.145 2.901 -3.080 1.00 0.71 C ATOM 412 CD PRO A 25 -12.322 4.137 -2.857 1.00 0.58 C ATOM 0 HA PRO A 25 -13.175 3.949 -5.924 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -15.075 3.683 -3.578 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.514 2.418 -4.653 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.596 2.559 -2.149 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.529 2.084 -3.455 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.720 4.747 -2.046 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.292 3.895 -2.597 1.00 0.58 H new ATOM 420 N GLU A 26 -15.593 5.025 -6.025 1.00 0.85 N ATOM 421 CA GLU A 26 -16.635 5.958 -6.434 1.00 1.05 C ATOM 422 C GLU A 26 -18.032 5.366 -6.228 1.00 0.95 C ATOM 423 O GLU A 26 -19.028 5.958 -6.642 1.00 1.12 O ATOM 424 CB GLU A 26 -16.446 6.356 -7.899 1.00 1.29 C ATOM 425 CG GLU A 26 -15.213 7.209 -8.141 1.00 1.83 C ATOM 426 CD GLU A 26 -14.489 6.842 -9.421 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.088 6.138 -10.262 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.322 7.257 -9.584 1.00 2.77 O ATOM 0 H GLU A 26 -15.753 4.061 -6.317 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.550 6.845 -5.806 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.379 5.454 -8.507 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.327 6.902 -8.236 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.505 8.258 -8.182 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.530 7.100 -7.298 1.00 1.83 H new ATOM 435 N TYR A 27 -18.105 4.199 -5.584 1.00 0.85 N ATOM 436 CA TYR A 27 -19.383 3.545 -5.328 1.00 0.84 C ATOM 437 C TYR A 27 -19.382 2.868 -3.964 1.00 0.86 C ATOM 438 O TYR A 27 -20.105 3.277 -3.055 1.00 1.37 O ATOM 439 CB TYR A 27 -19.688 2.510 -6.411 1.00 0.86 C ATOM 440 CG TYR A 27 -21.149 2.115 -6.468 1.00 0.94 C ATOM 441 CD1 TYR A 27 -22.127 3.014 -6.884 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.550 0.837 -6.103 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.458 2.648 -6.934 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.881 0.464 -6.151 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.837 1.402 -6.577 1.00 1.19 C ATOM 446 OH TYR A 27 -25.154 1.005 -6.615 1.00 1.35 O ATOM 0 H TYR A 27 -17.294 3.691 -5.232 1.00 0.85 H new ATOM 0 HA TYR A 27 -20.156 4.313 -5.341 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.389 2.909 -7.380 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -19.085 1.620 -6.233 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.840 4.014 -7.173 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.810 0.122 -5.776 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -24.200 3.362 -7.260 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.181 -0.533 -5.865 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.223 0.072 -6.322 1.00 1.35 H new ATOM 456 N THR A 28 -18.568 1.824 -3.830 1.00 0.65 N ATOM 457 CA THR A 28 -18.471 1.079 -2.579 1.00 0.61 C ATOM 458 C THR A 28 -19.857 0.731 -2.048 1.00 0.66 C ATOM 459 O THR A 28 -20.136 0.886 -0.860 1.00 0.81 O ATOM 460 CB THR A 28 -17.698 1.886 -1.534 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.292 3.157 -1.340 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.248 2.109 -1.905 1.00 0.79 C ATOM 0 H THR A 28 -17.965 1.475 -4.575 1.00 0.65 H new ATOM 0 HA THR A 28 -17.933 0.152 -2.778 1.00 0.61 H new ATOM 0 HB THR A 28 -17.737 1.290 -0.622 1.00 0.64 H new ATOM 0 HG1 THR A 28 -19.254 3.098 -1.515 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.757 2.687 -1.122 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.748 1.147 -2.013 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.193 2.654 -2.847 1.00 0.79 H new ATOM 470 N GLY A 29 -20.725 0.262 -2.940 1.00 0.75 N ATOM 471 CA GLY A 29 -22.072 -0.100 -2.542 1.00 0.80 C ATOM 472 C GLY A 29 -22.736 0.982 -1.711 1.00 0.85 C ATOM 473 O GLY A 29 -23.188 1.996 -2.243 1.00 1.01 O ATOM 0 H GLY A 29 -20.519 0.127 -3.930 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.672 -0.292 -3.431 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -22.043 -1.028 -1.971 1.00 0.80 H new ATOM 477 N GLY A 30 -22.780 0.768 -0.403 1.00 0.83 N ATOM 478 CA GLY A 30 -23.374 1.736 0.498 1.00 0.89 C ATOM 479 C GLY A 30 -22.448 2.047 1.656 1.00 0.85 C ATOM 480 O GLY A 30 -22.893 2.412 2.744 1.00 0.98 O ATOM 0 H GLY A 30 -22.411 -0.066 0.053 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.600 2.653 -0.047 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.320 1.350 0.879 1.00 0.89 H new ATOM 484 N PHE A 31 -21.151 1.883 1.414 1.00 0.73 N ATOM 485 CA PHE A 31 -20.134 2.127 2.429 1.00 0.69 C ATOM 486 C PHE A 31 -19.239 3.295 2.037 1.00 0.67 C ATOM 487 O PHE A 31 -19.477 3.966 1.032 1.00 0.74 O ATOM 488 CB PHE A 31 -19.275 0.870 2.644 1.00 0.63 C ATOM 489 CG PHE A 31 -19.874 -0.394 2.080 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.939 -1.010 2.714 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.375 -0.955 0.914 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.495 -2.165 2.200 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.928 -2.109 0.395 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.989 -2.716 1.038 1.00 0.83 C ATOM 0 H PHE A 31 -20.778 1.579 0.515 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.646 2.376 3.358 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.298 1.030 2.189 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.111 0.735 3.713 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.340 -0.583 3.621 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.546 -0.485 0.407 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.324 -2.637 2.706 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.531 -2.537 -0.514 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.422 -3.619 0.634 1.00 0.83 H new ATOM 504 N LYS A 32 -18.208 3.531 2.840 1.00 0.68 N ATOM 505 CA LYS A 32 -17.271 4.617 2.585 1.00 0.72 C ATOM 506 C LYS A 32 -15.858 4.223 3.001 1.00 0.66 C ATOM 507 O LYS A 32 -15.031 5.079 3.313 1.00 0.74 O ATOM 508 CB LYS A 32 -17.703 5.879 3.337 1.00 0.86 C ATOM 509 CG LYS A 32 -16.927 7.125 2.938 1.00 1.38 C ATOM 510 CD LYS A 32 -16.588 7.988 4.146 1.00 1.38 C ATOM 511 CE LYS A 32 -15.231 7.627 4.732 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.481 8.830 5.185 1.00 2.26 N ATOM 0 H LYS A 32 -18.000 2.983 3.675 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.273 4.822 1.514 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.765 6.051 3.160 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.581 5.713 4.407 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.008 6.834 2.429 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.514 7.707 2.228 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.591 9.038 3.855 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.358 7.866 4.908 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.369 6.948 5.573 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.644 7.094 3.984 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.563 8.539 5.577 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.327 9.467 4.378 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.029 9.325 5.917 1.00 2.26 H new ATOM 526 N ILE A 33 -15.584 2.923 3.006 1.00 0.67 N ATOM 527 CA ILE A 33 -14.270 2.424 3.387 1.00 0.66 C ATOM 528 C ILE A 33 -13.939 2.818 4.821 1.00 0.80 C ATOM 529 O ILE A 33 -14.358 3.872 5.299 1.00 1.71 O ATOM 530 CB ILE A 33 -13.167 2.968 2.460 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.533 2.711 0.984 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.818 2.356 2.831 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.999 1.412 0.406 1.00 0.91 C ATOM 0 H ILE A 33 -16.254 2.197 2.751 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.305 1.338 3.299 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.085 4.047 2.591 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.619 2.714 0.889 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.158 3.540 0.383 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.046 2.748 2.169 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.575 2.610 3.863 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.869 1.272 2.727 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.309 1.322 -0.635 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.910 1.409 0.462 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.394 0.571 0.976 1.00 0.91 H new ATOM 545 N THR A 34 -13.185 1.969 5.503 1.00 0.72 N ATOM 546 CA THR A 34 -12.797 2.235 6.880 1.00 0.73 C ATOM 547 C THR A 34 -11.319 1.929 7.101 1.00 0.59 C ATOM 548 O THR A 34 -10.875 1.771 8.237 1.00 0.76 O ATOM 549 CB THR A 34 -13.652 1.406 7.841 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.190 0.067 7.899 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.117 1.373 7.460 1.00 1.15 C ATOM 0 H THR A 34 -12.830 1.090 5.126 1.00 0.72 H new ATOM 0 HA THR A 34 -12.961 3.294 7.079 1.00 0.73 H new ATOM 0 HB THR A 34 -13.556 1.896 8.810 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.749 -0.445 8.520 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.667 0.769 8.182 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.515 2.388 7.458 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.225 0.939 6.466 1.00 1.15 H new ATOM 559 N SER A 35 -10.557 1.845 6.008 1.00 0.49 N ATOM 560 CA SER A 35 -9.129 1.556 6.096 1.00 0.47 C ATOM 561 C SER A 35 -8.531 1.284 4.720 1.00 0.45 C ATOM 562 O SER A 35 -9.242 0.957 3.770 1.00 0.72 O ATOM 563 CB SER A 35 -8.885 0.347 7.003 1.00 0.64 C ATOM 564 OG SER A 35 -7.593 -0.195 6.794 1.00 1.58 O ATOM 0 H SER A 35 -10.905 1.973 5.058 1.00 0.49 H new ATOM 0 HA SER A 35 -8.642 2.435 6.519 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.994 0.643 8.046 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.639 -0.416 6.808 1.00 0.64 H new ATOM 0 HG SER A 35 -7.461 -0.965 7.386 1.00 1.58 H new ATOM 570 N TYR A 36 -7.213 1.413 4.633 1.00 0.27 N ATOM 571 CA TYR A 36 -6.487 1.176 3.391 1.00 0.28 C ATOM 572 C TYR A 36 -5.215 0.389 3.675 1.00 0.33 C ATOM 573 O TYR A 36 -4.123 0.952 3.730 1.00 0.68 O ATOM 574 CB TYR A 36 -6.149 2.491 2.703 1.00 0.29 C ATOM 575 CG TYR A 36 -7.353 3.301 2.292 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.338 2.744 1.489 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.510 4.619 2.704 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.446 3.474 1.107 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.617 5.355 2.326 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.566 4.808 1.544 1.00 0.60 C ATOM 581 OH TYR A 36 -10.682 5.511 1.150 1.00 0.76 O ATOM 0 H TYR A 36 -6.619 1.684 5.417 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.124 0.596 2.723 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.533 3.091 3.373 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.547 2.281 1.819 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.236 1.721 1.157 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.756 5.075 3.329 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.208 3.030 0.484 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.721 6.377 2.661 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.644 6.418 1.519 1.00 0.76 H new ATOM 591 N ILE A 37 -5.371 -0.917 3.864 1.00 0.24 N ATOM 592 CA ILE A 37 -4.242 -1.791 4.155 1.00 0.26 C ATOM 593 C ILE A 37 -3.483 -2.167 2.892 1.00 0.33 C ATOM 594 O ILE A 37 -4.033 -2.798 1.994 1.00 0.70 O ATOM 595 CB ILE A 37 -4.693 -3.085 4.857 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.719 -2.781 5.951 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.492 -3.805 5.443 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.442 -4.009 6.456 1.00 1.14 C ATOM 0 H ILE A 37 -6.272 -1.394 3.821 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.585 -1.228 4.818 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.167 -3.732 4.118 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.215 -2.296 6.787 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.451 -2.071 5.565 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.821 -4.719 5.937 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.793 -4.056 4.645 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -2.998 -3.158 6.168 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.154 -3.720 7.229 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.975 -4.482 5.631 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.720 -4.711 6.872 1.00 1.14 H new ATOM 610 N VAL A 38 -2.215 -1.782 2.834 1.00 0.36 N ATOM 611 CA VAL A 38 -1.378 -2.087 1.677 1.00 0.42 C ATOM 612 C VAL A 38 -0.481 -3.294 1.974 1.00 0.35 C ATOM 613 O VAL A 38 0.225 -3.325 2.981 1.00 0.48 O ATOM 614 CB VAL A 38 -0.545 -0.840 1.212 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.358 0.159 2.348 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.808 -1.212 0.607 1.00 0.51 C ATOM 0 H VAL A 38 -1.743 -1.259 3.572 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.032 -2.347 0.845 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.130 -0.371 0.421 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.223 1.010 1.992 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.333 0.504 2.693 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.170 -0.321 3.172 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.334 -0.306 0.306 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.403 -1.748 1.347 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.654 -1.849 -0.264 1.00 0.51 H new ATOM 626 N GLU A 39 -0.527 -4.288 1.089 1.00 0.30 N ATOM 627 CA GLU A 39 0.269 -5.500 1.254 1.00 0.33 C ATOM 628 C GLU A 39 1.682 -5.316 0.708 1.00 0.32 C ATOM 629 O GLU A 39 1.871 -4.824 -0.403 1.00 0.43 O ATOM 630 CB GLU A 39 -0.412 -6.682 0.563 1.00 0.42 C ATOM 631 CG GLU A 39 -1.916 -6.738 0.783 1.00 0.51 C ATOM 632 CD GLU A 39 -2.353 -8.008 1.486 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.585 -8.992 1.468 1.00 1.67 O ATOM 634 OE2 GLU A 39 -3.466 -8.018 2.055 1.00 1.52 O ATOM 0 H GLU A 39 -1.108 -4.277 0.250 1.00 0.30 H new ATOM 0 HA GLU A 39 0.344 -5.706 2.322 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.212 -6.629 -0.507 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.034 -7.609 0.925 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.226 -5.875 1.372 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.424 -6.666 -0.179 1.00 0.51 H new ATOM 641 N LYS A 40 2.667 -5.712 1.510 1.00 0.28 N ATOM 642 CA LYS A 40 4.079 -5.594 1.143 1.00 0.31 C ATOM 643 C LYS A 40 4.636 -6.875 0.531 1.00 0.29 C ATOM 644 O LYS A 40 4.343 -7.979 0.990 1.00 0.35 O ATOM 645 CB LYS A 40 4.908 -5.272 2.383 1.00 0.43 C ATOM 646 CG LYS A 40 4.814 -3.838 2.834 1.00 0.92 C ATOM 647 CD LYS A 40 6.186 -3.176 2.826 1.00 1.14 C ATOM 648 CE LYS A 40 6.797 -3.133 4.218 1.00 1.65 C ATOM 649 NZ LYS A 40 6.948 -4.496 4.800 1.00 1.97 N ATOM 0 H LYS A 40 2.512 -6.123 2.431 1.00 0.28 H new ATOM 0 HA LYS A 40 4.142 -4.798 0.401 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.587 -5.919 3.199 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.952 -5.509 2.180 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.137 -3.290 2.179 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.391 -3.795 3.837 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.849 -3.721 2.154 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.099 -2.162 2.435 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.772 -2.648 4.172 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.170 -2.527 4.871 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.021 -4.425 5.835 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.120 -5.074 4.550 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.808 -4.942 4.422 1.00 1.97 H new ATOM 663 N ARG A 41 5.472 -6.711 -0.488 1.00 0.36 N ATOM 664 CA ARG A 41 6.108 -7.840 -1.153 1.00 0.40 C ATOM 665 C ARG A 41 7.616 -7.636 -1.203 1.00 0.41 C ATOM 666 O ARG A 41 8.118 -6.834 -1.997 1.00 0.43 O ATOM 667 CB ARG A 41 5.561 -8.020 -2.567 1.00 0.46 C ATOM 668 CG ARG A 41 5.611 -9.456 -3.060 1.00 0.58 C ATOM 669 CD ARG A 41 5.364 -9.538 -4.557 1.00 0.88 C ATOM 670 NE ARG A 41 4.397 -10.574 -4.901 1.00 0.95 N ATOM 671 CZ ARG A 41 4.065 -10.879 -6.151 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.617 -10.226 -7.165 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.178 -11.837 -6.390 1.00 1.44 N ATOM 0 H ARG A 41 5.726 -5.801 -0.873 1.00 0.36 H new ATOM 0 HA ARG A 41 5.885 -8.741 -0.581 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.529 -7.671 -2.596 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.130 -7.390 -3.251 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.584 -9.889 -2.826 1.00 0.58 H new ATOM 0 HG3 ARG A 41 4.863 -10.049 -2.533 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.005 -8.574 -4.917 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.306 -9.738 -5.068 1.00 0.88 H new ATOM 0 HE ARG A 41 3.952 -11.091 -4.143 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.298 -9.488 -6.986 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.361 -10.462 -8.124 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.750 -12.341 -5.613 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.925 -12.069 -7.350 1.00 1.44 H new ATOM 687 N ASP A 42 8.332 -8.359 -0.348 1.00 0.50 N ATOM 688 CA ASP A 42 9.785 -8.259 -0.286 1.00 0.57 C ATOM 689 C ASP A 42 10.424 -8.981 -1.463 1.00 0.62 C ATOM 690 O ASP A 42 10.810 -10.145 -1.361 1.00 0.91 O ATOM 691 CB ASP A 42 10.302 -8.840 1.026 1.00 0.71 C ATOM 692 CG ASP A 42 9.322 -9.807 1.663 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.100 -9.573 1.555 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.778 -10.799 2.273 1.00 1.49 O ATOM 0 H ASP A 42 7.928 -9.022 0.313 1.00 0.50 H new ATOM 0 HA ASP A 42 10.056 -7.205 -0.336 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.247 -9.353 0.845 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.509 -8.027 1.722 1.00 0.71 H new ATOM 699 N LEU A 43 10.526 -8.275 -2.576 1.00 0.63 N ATOM 700 CA LEU A 43 11.116 -8.834 -3.787 1.00 0.68 C ATOM 701 C LEU A 43 12.480 -9.459 -3.489 1.00 0.81 C ATOM 702 O LEU A 43 13.143 -9.075 -2.525 1.00 0.90 O ATOM 703 CB LEU A 43 11.250 -7.744 -4.858 1.00 0.62 C ATOM 704 CG LEU A 43 10.043 -7.572 -5.797 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.733 -7.934 -5.103 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.984 -6.147 -6.317 1.00 0.80 C ATOM 0 H LEU A 43 10.208 -7.310 -2.669 1.00 0.63 H new ATOM 0 HA LEU A 43 10.458 -9.618 -4.161 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.436 -6.793 -4.359 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.129 -7.964 -5.464 1.00 0.62 H new ATOM 0 HG LEU A 43 10.174 -8.256 -6.635 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.904 -7.800 -5.798 1.00 0.70 H new ATOM 0 HD12 LEU A 43 8.769 -8.974 -4.777 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.589 -7.287 -4.237 1.00 0.70 H new ATOM 0 HD21 LEU A 43 9.126 -6.037 -6.980 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.885 -5.458 -5.479 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.898 -5.922 -6.866 1.00 0.80 H new ATOM 718 N PRO A 44 12.920 -10.438 -4.306 1.00 0.92 N ATOM 719 CA PRO A 44 12.172 -10.932 -5.466 1.00 0.99 C ATOM 720 C PRO A 44 11.151 -12.009 -5.102 1.00 1.15 C ATOM 721 O PRO A 44 10.651 -12.719 -5.974 1.00 1.43 O ATOM 722 CB PRO A 44 13.272 -11.524 -6.340 1.00 1.15 C ATOM 723 CG PRO A 44 14.289 -12.029 -5.372 1.00 1.25 C ATOM 724 CD PRO A 44 14.209 -11.139 -4.155 1.00 1.08 C ATOM 0 HA PRO A 44 11.586 -10.145 -5.941 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.889 -12.328 -6.969 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.697 -10.773 -7.006 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.088 -13.067 -5.106 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.287 -11.999 -5.809 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.241 -11.720 -3.233 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.042 -10.437 -4.119 1.00 1.08 H new ATOM 732 N ASN A 45 10.846 -12.129 -3.814 1.00 1.14 N ATOM 733 CA ASN A 45 9.886 -13.125 -3.351 1.00 1.33 C ATOM 734 C ASN A 45 8.678 -12.462 -2.700 1.00 1.43 C ATOM 735 O ASN A 45 7.613 -12.357 -3.308 1.00 2.42 O ATOM 736 CB ASN A 45 10.552 -14.084 -2.364 1.00 1.66 C ATOM 737 CG ASN A 45 11.646 -14.910 -3.013 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.435 -16.068 -3.372 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.823 -14.316 -3.166 1.00 1.89 N ATOM 0 H ASN A 45 11.248 -11.552 -3.075 1.00 1.14 H new ATOM 0 HA ASN A 45 9.540 -13.688 -4.218 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.973 -13.515 -1.535 1.00 1.66 H new ATOM 0 HB3 ASN A 45 9.799 -14.750 -1.943 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.597 -14.822 -3.596 1.00 1.89 H new ATOM 0 HD22 ASN A 45 12.953 -13.354 -2.853 1.00 1.89 H new ATOM 746 N GLY A 46 8.847 -12.017 -1.459 1.00 0.90 N ATOM 747 CA GLY A 46 7.758 -11.375 -0.750 1.00 1.12 C ATOM 748 C GLY A 46 6.504 -12.225 -0.746 1.00 0.76 C ATOM 749 O GLY A 46 6.501 -13.337 -1.272 1.00 0.96 O ATOM 0 H GLY A 46 9.718 -12.090 -0.933 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.063 -11.174 0.277 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.542 -10.412 -1.213 1.00 1.12 H new ATOM 753 N ARG A 47 5.436 -11.706 -0.152 1.00 0.80 N ATOM 754 CA ARG A 47 4.176 -12.439 -0.086 1.00 0.76 C ATOM 755 C ARG A 47 3.018 -11.516 0.275 1.00 0.85 C ATOM 756 O ARG A 47 2.041 -11.942 0.892 1.00 1.71 O ATOM 757 CB ARG A 47 4.259 -13.592 0.928 1.00 0.99 C ATOM 758 CG ARG A 47 5.415 -13.481 1.916 1.00 1.31 C ATOM 759 CD ARG A 47 5.298 -12.235 2.778 1.00 1.11 C ATOM 760 NE ARG A 47 5.541 -12.516 4.190 1.00 1.41 N ATOM 761 CZ ARG A 47 6.728 -12.853 4.685 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.781 -12.948 3.885 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.859 -13.090 5.983 1.00 2.03 N ATOM 0 H ARG A 47 5.416 -10.786 0.289 1.00 0.80 H new ATOM 0 HA ARG A 47 3.992 -12.856 -1.076 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.324 -13.637 1.486 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.351 -14.532 0.384 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.435 -14.365 2.554 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.359 -13.460 1.371 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.010 -11.487 2.430 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.303 -11.806 2.661 1.00 1.11 H new ATOM 0 HE ARG A 47 4.753 -12.450 4.835 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.682 -12.762 2.887 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.690 -13.207 4.268 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.050 -13.014 6.600 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.769 -13.349 6.365 1.00 2.03 H new ATOM 777 N TRP A 48 3.131 -10.250 -0.114 1.00 0.50 N ATOM 778 CA TRP A 48 2.091 -9.266 0.164 1.00 0.43 C ATOM 779 C TRP A 48 1.650 -9.337 1.622 1.00 0.45 C ATOM 780 O TRP A 48 0.780 -10.135 1.973 1.00 0.65 O ATOM 781 CB TRP A 48 0.904 -9.508 -0.762 1.00 0.47 C ATOM 782 CG TRP A 48 1.294 -9.483 -2.202 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.180 -10.502 -3.100 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.877 -8.386 -2.909 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.657 -10.104 -4.323 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.090 -8.810 -4.233 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.241 -7.086 -2.552 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.647 -7.981 -5.200 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.796 -6.264 -3.513 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.996 -6.715 -4.825 1.00 0.38 C ATOM 0 H TRP A 48 3.934 -9.881 -0.624 1.00 0.50 H new ATOM 0 HA TRP A 48 2.493 -8.269 -0.015 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.453 -10.472 -0.527 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.144 -8.748 -0.581 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.774 -11.479 -2.881 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.684 -10.680 -5.164 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.091 -6.730 -1.543 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.798 -8.326 -6.212 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.081 -5.256 -3.249 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.434 -6.049 -5.553 1.00 0.38 H new ATOM 801 N LEU A 49 2.253 -8.511 2.477 1.00 0.38 N ATOM 802 CA LEU A 49 1.899 -8.516 3.893 1.00 0.42 C ATOM 803 C LEU A 49 1.593 -7.111 4.391 1.00 0.36 C ATOM 804 O LEU A 49 2.349 -6.173 4.142 1.00 0.39 O ATOM 805 CB LEU A 49 3.021 -9.141 4.723 1.00 0.52 C ATOM 806 CG LEU A 49 2.622 -10.413 5.478 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.507 -10.116 6.468 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.190 -11.496 4.502 1.00 0.84 C ATOM 0 H LEU A 49 2.977 -7.841 2.218 1.00 0.38 H new ATOM 0 HA LEU A 49 0.998 -9.118 4.009 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.857 -9.373 4.064 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.377 -8.404 5.442 1.00 0.52 H new ATOM 0 HG LEU A 49 3.489 -10.772 6.032 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.236 -11.030 6.996 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.847 -9.370 7.186 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.637 -9.734 5.933 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.910 -12.393 5.054 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.336 -11.145 3.923 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.014 -11.728 3.828 1.00 0.84 H new ATOM 820 N LYS A 50 0.474 -6.977 5.092 1.00 0.40 N ATOM 821 CA LYS A 50 0.050 -5.690 5.627 1.00 0.40 C ATOM 822 C LYS A 50 1.050 -5.155 6.648 1.00 0.47 C ATOM 823 O LYS A 50 0.789 -5.172 7.852 1.00 0.85 O ATOM 824 CB LYS A 50 -1.332 -5.822 6.269 1.00 0.59 C ATOM 825 CG LYS A 50 -1.424 -6.934 7.301 1.00 0.72 C ATOM 826 CD LYS A 50 -2.681 -6.809 8.147 1.00 1.03 C ATOM 827 CE LYS A 50 -3.936 -6.902 7.294 1.00 0.86 C ATOM 828 NZ LYS A 50 -5.168 -7.008 8.124 1.00 1.30 N ATOM 0 H LYS A 50 -0.159 -7.748 5.304 1.00 0.40 H new ATOM 0 HA LYS A 50 0.001 -4.981 4.801 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.594 -4.876 6.743 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.070 -6.002 5.487 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.418 -7.900 6.797 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.546 -6.906 7.946 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.693 -7.596 8.902 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.670 -5.857 8.679 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.005 -6.023 6.653 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.865 -7.770 6.638 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -6.000 -7.069 7.504 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.115 -7.861 8.717 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -5.250 -6.168 8.732 1.00 1.30 H new ATOM 842 N ALA A 51 2.191 -4.673 6.164 1.00 0.45 N ATOM 843 CA ALA A 51 3.214 -4.129 7.046 1.00 0.63 C ATOM 844 C ALA A 51 2.630 -3.025 7.911 1.00 0.55 C ATOM 845 O ALA A 51 2.898 -2.953 9.110 1.00 0.72 O ATOM 846 CB ALA A 51 4.392 -3.604 6.241 1.00 0.86 C ATOM 0 H ALA A 51 2.428 -4.649 5.172 1.00 0.45 H new ATOM 0 HA ALA A 51 3.572 -4.929 7.694 1.00 0.63 H new ATOM 0 HB1 ALA A 51 5.145 -3.202 6.918 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.825 -4.417 5.658 1.00 0.86 H new ATOM 0 HB3 ALA A 51 4.051 -2.817 5.569 1.00 0.86 H new ATOM 852 N ASN A 52 1.824 -2.161 7.291 1.00 0.42 N ATOM 853 CA ASN A 52 1.188 -1.052 8.006 1.00 0.43 C ATOM 854 C ASN A 52 0.665 -1.500 9.371 1.00 0.59 C ATOM 855 O ASN A 52 0.884 -0.831 10.382 1.00 1.60 O ATOM 856 CB ASN A 52 0.034 -0.478 7.180 1.00 0.38 C ATOM 857 CG ASN A 52 -1.072 -1.490 6.951 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.848 -2.553 6.372 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.276 -1.162 7.405 1.00 0.62 N ATOM 0 H ASN A 52 1.596 -2.207 6.298 1.00 0.42 H new ATOM 0 HA ASN A 52 1.943 -0.281 8.160 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.375 0.394 7.690 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.415 -0.136 6.218 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.060 -1.802 7.279 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.417 -0.270 7.879 1.00 0.62 H new ATOM 866 N PHE A 53 -0.023 -2.638 9.389 1.00 0.81 N ATOM 867 CA PHE A 53 -0.578 -3.186 10.624 1.00 0.82 C ATOM 868 C PHE A 53 -1.319 -2.112 11.414 1.00 0.84 C ATOM 869 O PHE A 53 -1.279 -2.092 12.645 1.00 1.20 O ATOM 870 CB PHE A 53 0.533 -3.796 11.482 1.00 0.96 C ATOM 871 CG PHE A 53 0.499 -5.297 11.533 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.700 -5.973 11.705 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.666 -6.034 11.409 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.732 -7.355 11.752 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.640 -7.415 11.454 1.00 2.08 C ATOM 876 CZ PHE A 53 0.440 -8.076 11.627 1.00 1.96 C ATOM 0 H PHE A 53 -0.210 -3.201 8.559 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.290 -3.967 10.357 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.499 -3.476 11.092 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.454 -3.405 12.496 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.619 -5.414 11.803 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.608 -5.523 11.275 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.672 -7.870 11.886 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.557 -7.977 11.354 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.418 -9.155 11.665 1.00 1.96 H new ATOM 886 N SER A 54 -1.997 -1.223 10.699 1.00 0.79 N ATOM 887 CA SER A 54 -2.749 -0.149 11.331 1.00 0.89 C ATOM 888 C SER A 54 -4.025 0.144 10.551 1.00 0.95 C ATOM 889 O SER A 54 -4.465 -0.666 9.735 1.00 1.89 O ATOM 890 CB SER A 54 -1.891 1.115 11.430 1.00 1.00 C ATOM 891 OG SER A 54 -0.544 0.796 11.737 1.00 1.71 O ATOM 0 H SER A 54 -2.041 -1.226 9.680 1.00 0.79 H new ATOM 0 HA SER A 54 -3.023 -0.468 12.337 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.933 1.661 10.488 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.296 1.774 12.198 1.00 1.00 H new ATOM 0 HG SER A 54 -0.121 0.380 10.957 1.00 1.71 H new ATOM 897 N ASN A 55 -4.615 1.306 10.805 1.00 0.75 N ATOM 898 CA ASN A 55 -5.842 1.700 10.125 1.00 0.69 C ATOM 899 C ASN A 55 -5.587 2.870 9.181 1.00 0.66 C ATOM 900 O ASN A 55 -5.722 4.031 9.566 1.00 1.05 O ATOM 901 CB ASN A 55 -6.918 2.075 11.145 1.00 0.84 C ATOM 902 CG ASN A 55 -8.318 1.783 10.642 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.076 1.047 11.275 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.668 2.360 9.500 1.00 0.83 N ATOM 0 H ASN A 55 -4.264 1.990 11.475 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.192 0.852 9.537 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.745 1.525 12.070 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.834 3.135 11.384 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.598 2.201 9.112 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.007 2.963 9.009 1.00 0.83 H new ATOM 911 N ILE A 56 -5.219 2.557 7.942 1.00 0.40 N ATOM 912 CA ILE A 56 -4.950 3.587 6.948 1.00 0.33 C ATOM 913 C ILE A 56 -6.236 4.284 6.518 1.00 0.31 C ATOM 914 O ILE A 56 -6.662 4.158 5.369 1.00 0.53 O ATOM 915 CB ILE A 56 -4.269 3.011 5.690 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.197 1.991 6.058 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.664 4.136 4.868 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.179 2.528 7.021 1.00 0.69 C ATOM 0 H ILE A 56 -5.101 1.602 7.605 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.278 4.301 7.424 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.027 2.499 5.097 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.674 1.113 6.495 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -2.691 1.661 5.151 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.185 3.722 3.981 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.449 4.829 4.566 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -2.923 4.666 5.466 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.444 1.754 7.243 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.677 3.388 6.578 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.675 2.832 7.943 1.00 0.69 H new ATOM 930 N LEU A 57 -6.852 5.023 7.435 1.00 0.44 N ATOM 931 CA LEU A 57 -8.088 5.735 7.122 1.00 0.45 C ATOM 932 C LEU A 57 -7.909 6.582 5.868 1.00 0.42 C ATOM 933 O LEU A 57 -8.615 6.396 4.876 1.00 0.60 O ATOM 934 CB LEU A 57 -8.522 6.616 8.295 1.00 0.48 C ATOM 935 CG LEU A 57 -9.716 7.536 8.012 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.781 6.812 7.198 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.303 8.056 9.314 1.00 1.60 C ATOM 0 H LEU A 57 -6.521 5.145 8.392 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.868 4.996 6.941 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.771 5.973 9.139 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.675 7.230 8.601 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.361 8.384 7.426 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.617 7.486 7.011 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.356 6.489 6.248 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.134 5.942 7.752 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.149 8.707 9.097 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.638 7.216 9.923 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.543 8.618 9.857 1.00 1.60 H new ATOM 949 N GLU A 58 -6.950 7.501 5.911 1.00 0.39 N ATOM 950 CA GLU A 58 -6.669 8.356 4.772 1.00 0.43 C ATOM 951 C GLU A 58 -5.891 7.567 3.737 1.00 0.51 C ATOM 952 O GLU A 58 -5.302 6.533 4.052 1.00 1.09 O ATOM 953 CB GLU A 58 -5.872 9.591 5.205 1.00 0.44 C ATOM 954 CG GLU A 58 -4.491 9.271 5.753 1.00 0.44 C ATOM 955 CD GLU A 58 -4.388 9.499 7.249 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.172 8.881 8.000 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.523 10.298 7.670 1.00 1.29 O ATOM 0 H GLU A 58 -6.357 7.670 6.723 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.611 8.696 4.341 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.767 10.261 4.352 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.438 10.129 5.965 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.248 8.232 5.530 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.751 9.888 5.244 1.00 0.44 H new ATOM 964 N ASN A 59 -5.891 8.041 2.503 1.00 0.31 N ATOM 965 CA ASN A 59 -5.177 7.345 1.443 1.00 0.28 C ATOM 966 C ASN A 59 -3.693 7.720 1.407 1.00 0.28 C ATOM 967 O ASN A 59 -2.982 7.364 0.467 1.00 0.49 O ATOM 968 CB ASN A 59 -5.823 7.612 0.089 1.00 0.32 C ATOM 969 CG ASN A 59 -5.704 9.060 -0.335 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.849 9.793 0.161 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.566 9.480 -1.255 1.00 0.91 N ATOM 0 H ASN A 59 -6.370 8.893 2.211 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.242 6.279 1.661 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.356 6.977 -0.664 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.876 7.335 0.132 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.536 10.447 -1.578 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.258 8.835 -1.638 1.00 0.91 H new ATOM 978 N GLU A 60 -3.227 8.427 2.433 1.00 0.29 N ATOM 979 CA GLU A 60 -1.827 8.830 2.515 1.00 0.29 C ATOM 980 C GLU A 60 -1.172 8.142 3.707 1.00 0.27 C ATOM 981 O GLU A 60 -1.323 8.585 4.845 1.00 0.35 O ATOM 982 CB GLU A 60 -1.716 10.350 2.657 1.00 0.34 C ATOM 983 CG GLU A 60 -0.385 10.915 2.188 1.00 0.49 C ATOM 984 CD GLU A 60 -0.516 12.315 1.620 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.638 12.692 1.223 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.506 13.034 1.572 1.00 2.05 O ATOM 0 H GLU A 60 -3.800 8.733 3.220 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.316 8.533 1.599 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.519 10.818 2.088 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.866 10.620 3.702 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.315 10.930 3.024 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.038 10.257 1.429 1.00 0.49 H new ATOM 993 N PHE A 61 -0.457 7.050 3.450 1.00 0.24 N ATOM 994 CA PHE A 61 0.191 6.310 4.528 1.00 0.24 C ATOM 995 C PHE A 61 1.661 6.032 4.235 1.00 0.24 C ATOM 996 O PHE A 61 2.118 6.126 3.095 1.00 0.25 O ATOM 997 CB PHE A 61 -0.537 4.982 4.782 1.00 0.28 C ATOM 998 CG PHE A 61 0.179 4.085 5.753 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.098 4.315 7.115 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.945 3.023 5.300 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.765 3.499 8.009 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.610 2.209 6.186 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.522 2.443 7.544 1.00 0.48 C ATOM 0 H PHE A 61 -0.313 6.662 2.518 1.00 0.24 H new ATOM 0 HA PHE A 61 0.137 6.938 5.418 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.537 5.191 5.162 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.659 4.456 3.835 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.493 5.141 7.483 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.020 2.833 4.240 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.694 3.687 9.070 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.203 1.384 5.819 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.044 1.802 8.239 1.00 0.48 H new ATOM 1013 N THR A 62 2.388 5.674 5.292 1.00 0.25 N ATOM 1014 CA THR A 62 3.797 5.358 5.188 1.00 0.27 C ATOM 1015 C THR A 62 4.057 3.913 5.573 1.00 0.29 C ATOM 1016 O THR A 62 3.858 3.517 6.721 1.00 0.35 O ATOM 1017 CB THR A 62 4.623 6.303 6.063 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.291 7.653 5.794 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.116 6.151 5.874 1.00 0.37 C ATOM 0 H THR A 62 2.012 5.597 6.237 1.00 0.25 H new ATOM 0 HA THR A 62 4.100 5.492 4.150 1.00 0.27 H new ATOM 0 HB THR A 62 4.377 6.031 7.089 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.844 7.985 5.056 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.638 6.852 6.525 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.413 5.132 6.124 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.374 6.359 4.836 1.00 0.37 H new ATOM 1027 N VAL A 63 4.505 3.126 4.598 1.00 0.31 N ATOM 1028 CA VAL A 63 4.795 1.726 4.826 1.00 0.36 C ATOM 1029 C VAL A 63 6.170 1.556 5.450 1.00 0.38 C ATOM 1030 O VAL A 63 7.160 1.325 4.753 1.00 0.50 O ATOM 1031 CB VAL A 63 4.714 0.917 3.523 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.930 -0.559 3.805 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.375 1.145 2.844 1.00 0.58 C ATOM 0 H VAL A 63 4.673 3.442 3.643 1.00 0.31 H new ATOM 0 HA VAL A 63 4.041 1.346 5.515 1.00 0.36 H new ATOM 0 HB VAL A 63 5.502 1.256 2.850 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.870 -1.120 2.873 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.913 -0.704 4.253 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.162 -0.914 4.492 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.331 0.566 1.922 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.571 0.829 3.509 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.260 2.204 2.613 1.00 0.58 H new ATOM 1043 N SER A 64 6.220 1.679 6.770 1.00 0.49 N ATOM 1044 CA SER A 64 7.469 1.546 7.506 1.00 0.55 C ATOM 1045 C SER A 64 7.781 0.080 7.775 1.00 0.63 C ATOM 1046 O SER A 64 7.026 -0.808 7.379 1.00 0.99 O ATOM 1047 CB SER A 64 7.393 2.314 8.827 1.00 0.63 C ATOM 1048 OG SER A 64 6.272 1.906 9.591 1.00 1.33 O ATOM 0 H SER A 64 5.406 1.871 7.354 1.00 0.49 H new ATOM 0 HA SER A 64 8.269 1.967 6.897 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.306 2.150 9.399 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.330 3.384 8.626 1.00 0.63 H new ATOM 0 HG SER A 64 6.247 2.410 10.431 1.00 1.33 H new ATOM 1054 N GLY A 65 8.899 -0.170 8.447 1.00 0.71 N ATOM 1055 CA GLY A 65 9.287 -1.533 8.752 1.00 0.78 C ATOM 1056 C GLY A 65 10.156 -2.144 7.669 1.00 0.72 C ATOM 1057 O GLY A 65 10.874 -3.111 7.915 1.00 0.90 O ATOM 0 H GLY A 65 9.542 0.546 8.785 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.826 -1.551 9.699 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.392 -2.142 8.883 1.00 0.78 H new ATOM 1061 N LEU A 66 10.091 -1.579 6.466 1.00 0.64 N ATOM 1062 CA LEU A 66 10.881 -2.082 5.350 1.00 0.65 C ATOM 1063 C LEU A 66 12.351 -2.194 5.744 1.00 0.59 C ATOM 1064 O LEU A 66 12.725 -1.875 6.873 1.00 0.65 O ATOM 1065 CB LEU A 66 10.710 -1.185 4.117 1.00 0.74 C ATOM 1066 CG LEU A 66 11.167 0.262 4.281 1.00 0.89 C ATOM 1067 CD1 LEU A 66 12.404 0.520 3.434 1.00 1.47 C ATOM 1068 CD2 LEU A 66 10.047 1.228 3.902 1.00 0.89 C ATOM 0 H LEU A 66 9.502 -0.777 6.242 1.00 0.64 H new ATOM 0 HA LEU A 66 10.521 -3.078 5.093 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.262 -1.629 3.288 1.00 0.74 H new ATOM 0 HB3 LEU A 66 9.657 -1.184 3.835 1.00 0.74 H new ATOM 0 HG LEU A 66 11.419 0.429 5.328 1.00 0.89 H new ATOM 0 HD11 LEU A 66 12.721 1.555 3.559 1.00 1.47 H new ATOM 0 HD12 LEU A 66 13.207 -0.146 3.750 1.00 1.47 H new ATOM 0 HD13 LEU A 66 12.172 0.336 2.385 1.00 1.47 H new ATOM 0 HD21 LEU A 66 10.394 2.254 4.026 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.762 1.065 2.863 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.185 1.056 4.546 1.00 0.89 H new ATOM 1080 N THR A 67 13.179 -2.656 4.814 1.00 0.65 N ATOM 1081 CA THR A 67 14.607 -2.818 5.078 1.00 0.69 C ATOM 1082 C THR A 67 15.442 -2.409 3.870 1.00 0.72 C ATOM 1083 O THR A 67 15.214 -2.877 2.757 1.00 1.06 O ATOM 1084 CB THR A 67 14.913 -4.271 5.446 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.900 -4.804 6.280 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.235 -4.444 6.163 1.00 0.99 C ATOM 0 H THR A 67 12.889 -2.925 3.874 1.00 0.65 H new ATOM 0 HA THR A 67 14.869 -2.168 5.913 1.00 0.69 H new ATOM 0 HB THR A 67 14.962 -4.802 4.495 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.115 -5.734 6.502 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.388 -5.498 6.394 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.044 -4.091 5.524 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.225 -3.867 7.088 1.00 0.99 H new ATOM 1094 N GLU A 68 16.412 -1.528 4.093 1.00 0.66 N ATOM 1095 CA GLU A 68 17.269 -1.065 3.012 1.00 0.67 C ATOM 1096 C GLU A 68 17.926 -2.234 2.279 1.00 0.60 C ATOM 1097 O GLU A 68 18.056 -3.331 2.820 1.00 0.69 O ATOM 1098 CB GLU A 68 18.336 -0.101 3.534 1.00 0.76 C ATOM 1099 CG GLU A 68 18.832 -0.421 4.932 1.00 0.96 C ATOM 1100 CD GLU A 68 20.316 -0.165 5.098 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.840 0.745 4.422 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.953 -0.872 5.906 1.00 1.91 O ATOM 0 H GLU A 68 16.622 -1.124 5.006 1.00 0.66 H new ATOM 0 HA GLU A 68 16.636 -0.533 2.302 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.184 -0.109 2.849 1.00 0.76 H new ATOM 0 HB3 GLU A 68 17.930 0.911 3.527 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.281 0.180 5.655 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.620 -1.466 5.158 1.00 0.96 H new ATOM 1109 N ASP A 69 18.328 -1.980 1.038 1.00 0.52 N ATOM 1110 CA ASP A 69 18.964 -2.988 0.203 1.00 0.49 C ATOM 1111 C ASP A 69 17.966 -4.072 -0.185 1.00 0.44 C ATOM 1112 O ASP A 69 18.258 -5.263 -0.076 1.00 0.54 O ATOM 1113 CB ASP A 69 20.161 -3.605 0.926 1.00 0.59 C ATOM 1114 CG ASP A 69 21.417 -3.596 0.078 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.699 -2.555 -0.554 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.119 -4.627 0.045 1.00 1.66 O ATOM 0 H ASP A 69 18.222 -1.072 0.586 1.00 0.52 H new ATOM 0 HA ASP A 69 19.319 -2.503 -0.706 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.346 -3.057 1.850 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.923 -4.631 1.207 1.00 0.59 H new ATOM 1121 N ALA A 70 16.785 -3.653 -0.637 1.00 0.40 N ATOM 1122 CA ALA A 70 15.749 -4.597 -1.040 1.00 0.40 C ATOM 1123 C ALA A 70 14.563 -3.888 -1.680 1.00 0.35 C ATOM 1124 O ALA A 70 13.953 -3.010 -1.071 1.00 0.36 O ATOM 1125 CB ALA A 70 15.277 -5.396 0.162 1.00 0.49 C ATOM 0 H ALA A 70 16.524 -2.671 -0.732 1.00 0.40 H new ATOM 0 HA ALA A 70 16.183 -5.268 -1.781 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.503 -6.098 -0.149 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.117 -5.946 0.586 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.871 -4.718 0.913 1.00 0.49 H new ATOM 1131 N ALA A 71 14.228 -4.284 -2.902 1.00 0.33 N ATOM 1132 CA ALA A 71 13.100 -3.692 -3.605 1.00 0.30 C ATOM 1133 C ALA A 71 11.802 -4.124 -2.944 1.00 0.27 C ATOM 1134 O ALA A 71 11.625 -5.298 -2.615 1.00 0.36 O ATOM 1135 CB ALA A 71 13.116 -4.083 -5.074 1.00 0.34 C ATOM 0 H ALA A 71 14.720 -5.010 -3.424 1.00 0.33 H new ATOM 0 HA ALA A 71 13.178 -2.606 -3.550 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.264 -3.630 -5.581 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.040 -3.733 -5.534 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.055 -5.168 -5.162 1.00 0.34 H new ATOM 1141 N TYR A 72 10.905 -3.174 -2.726 1.00 0.24 N ATOM 1142 CA TYR A 72 9.641 -3.476 -2.073 1.00 0.24 C ATOM 1143 C TYR A 72 8.433 -2.989 -2.868 1.00 0.21 C ATOM 1144 O TYR A 72 8.259 -1.789 -3.081 1.00 0.23 O ATOM 1145 CB TYR A 72 9.620 -2.827 -0.697 1.00 0.30 C ATOM 1146 CG TYR A 72 10.382 -3.590 0.360 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.785 -4.656 1.019 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.686 -3.244 0.710 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.457 -5.360 1.993 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.364 -3.948 1.686 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.747 -5.003 2.325 1.00 0.46 C ATOM 1152 OH TYR A 72 12.420 -5.705 3.298 1.00 0.56 O ATOM 0 H TYR A 72 11.027 -2.196 -2.989 1.00 0.24 H new ATOM 0 HA TYR A 72 9.569 -4.561 -1.998 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.037 -1.823 -0.775 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.584 -2.718 -0.375 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.775 -4.938 0.763 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.171 -2.417 0.213 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.976 -6.187 2.494 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.375 -3.673 1.948 1.00 0.42 H new ATOM 0 HH TYR A 72 13.381 -5.691 3.106 1.00 0.56 H new ATOM 1162 N GLU A 73 7.584 -3.929 -3.279 1.00 0.21 N ATOM 1163 CA GLU A 73 6.373 -3.597 -4.025 1.00 0.21 C ATOM 1164 C GLU A 73 5.166 -3.694 -3.098 1.00 0.23 C ATOM 1165 O GLU A 73 5.093 -4.613 -2.282 1.00 0.32 O ATOM 1166 CB GLU A 73 6.191 -4.553 -5.206 1.00 0.25 C ATOM 1167 CG GLU A 73 6.843 -4.076 -6.492 1.00 0.65 C ATOM 1168 CD GLU A 73 5.871 -4.027 -7.654 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.808 -3.387 -7.512 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.173 -4.628 -8.706 1.00 1.50 O ATOM 0 H GLU A 73 7.713 -4.926 -3.108 1.00 0.21 H new ATOM 0 HA GLU A 73 6.463 -2.581 -4.410 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.605 -5.526 -4.940 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.125 -4.697 -5.383 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.266 -3.084 -6.334 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.671 -4.739 -6.743 1.00 0.65 H new ATOM 1177 N PHE A 74 4.219 -2.759 -3.198 1.00 0.22 N ATOM 1178 CA PHE A 74 3.047 -2.829 -2.299 1.00 0.28 C ATOM 1179 C PHE A 74 1.716 -2.456 -2.956 1.00 0.25 C ATOM 1180 O PHE A 74 1.565 -1.381 -3.526 1.00 0.30 O ATOM 1181 CB PHE A 74 3.232 -1.958 -1.048 1.00 0.39 C ATOM 1182 CG PHE A 74 4.606 -1.394 -0.858 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.022 -0.308 -1.604 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.476 -1.941 0.073 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.278 0.226 -1.434 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.738 -1.407 0.250 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.140 -0.321 -0.505 1.00 0.53 C ATOM 0 H PHE A 74 4.227 -1.978 -3.854 1.00 0.22 H new ATOM 0 HA PHE A 74 2.994 -3.883 -2.026 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.521 -1.133 -1.092 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.977 -2.552 -0.171 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.352 0.127 -2.330 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.165 -2.790 0.664 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.590 1.073 -2.027 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.410 -1.838 0.978 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.126 0.098 -0.368 1.00 0.53 H new ATOM 1197 N ARG A 75 0.738 -3.351 -2.819 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.609 -3.131 -3.354 1.00 0.34 C ATOM 1199 C ARG A 75 -1.509 -2.589 -2.249 1.00 0.31 C ATOM 1200 O ARG A 75 -1.162 -2.684 -1.075 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.194 -4.431 -3.929 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.662 -5.699 -3.272 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.506 -6.915 -3.623 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.838 -7.792 -4.580 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.371 -8.922 -5.038 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.572 -9.306 -4.626 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.704 -9.668 -5.908 1.00 1.87 N ATOM 0 H ARG A 75 0.854 -4.243 -2.338 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.550 -2.405 -4.165 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.278 -4.407 -3.822 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.980 -4.471 -4.997 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.367 -5.868 -3.588 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.646 -5.568 -2.190 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.730 -7.474 -2.715 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.459 -6.586 -4.038 1.00 1.08 H new ATOM 0 HE ARG A 75 0.087 -7.524 -4.916 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.088 -8.735 -3.957 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.979 -10.172 -4.978 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.220 -9.376 -6.228 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.115 -10.534 -6.258 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.655 -2.012 -2.610 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.557 -1.459 -1.591 1.00 0.39 C ATOM 1223 C VAL A 76 -4.903 -2.189 -1.530 1.00 0.31 C ATOM 1224 O VAL A 76 -5.631 -2.275 -2.517 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.791 0.062 -1.793 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.891 0.589 -0.876 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.503 0.831 -1.543 1.00 0.54 C ATOM 0 H VAL A 76 -2.978 -1.915 -3.573 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.052 -1.614 -0.637 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.110 0.211 -2.825 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.026 1.657 -1.046 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.824 0.067 -1.089 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.610 0.420 0.164 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.681 1.896 -1.688 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.167 0.655 -0.521 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.736 0.493 -2.240 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.214 -2.689 -0.334 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.461 -3.402 -0.060 1.00 0.31 C ATOM 1239 C ILE A 77 -7.306 -2.583 0.921 1.00 0.30 C ATOM 1240 O ILE A 77 -6.767 -1.791 1.695 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.153 -4.827 0.521 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -6.391 -5.899 -0.533 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -6.962 -5.168 1.777 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.481 -7.094 -0.369 1.00 0.42 C ATOM 0 H ILE A 77 -4.602 -2.610 0.478 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.021 -3.530 -0.986 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.103 -4.805 0.811 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -7.429 -6.229 -0.481 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -6.242 -5.468 -1.523 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.696 -6.167 2.121 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -6.740 -4.443 2.561 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.026 -5.136 1.544 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -5.696 -7.825 -1.148 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.442 -6.774 -0.449 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.647 -7.546 0.609 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.622 -2.785 0.910 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.480 -2.049 1.838 1.00 0.30 C ATOM 1258 C ALA A 78 -10.874 -2.655 1.926 1.00 0.34 C ATOM 1259 O ALA A 78 -11.536 -2.865 0.916 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.555 -0.575 1.456 1.00 0.39 C ATOM 0 H ALA A 78 -9.107 -3.432 0.289 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.028 -2.127 2.827 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.199 -0.049 2.161 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.556 -0.141 1.483 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.964 -0.480 0.450 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.315 -2.930 3.148 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.634 -3.509 3.370 1.00 0.43 C ATOM 1268 C LYS A 79 -13.712 -2.437 3.245 1.00 0.59 C ATOM 1269 O LYS A 79 -13.501 -1.409 2.603 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.704 -4.170 4.747 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.481 -5.001 5.089 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.843 -6.187 5.967 1.00 1.50 C ATOM 1273 CE LYS A 79 -10.749 -7.243 5.954 1.00 1.71 C ATOM 1274 NZ LYS A 79 -10.534 -7.837 7.302 1.00 1.98 N ATOM 0 H LYS A 79 -10.779 -2.761 3.999 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.808 -4.271 2.610 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.830 -3.397 5.505 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.588 -4.806 4.790 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.012 -5.356 4.171 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.748 -4.378 5.601 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.010 -5.847 6.989 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -12.778 -6.626 5.620 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.013 -8.031 5.248 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -9.819 -6.798 5.601 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -9.781 -8.552 7.250 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -10.257 -7.090 7.970 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.414 -8.285 7.629 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.867 -2.677 3.859 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.961 -1.718 3.801 1.00 0.70 C ATOM 1290 C ASN A 80 -16.902 -1.875 4.989 1.00 0.87 C ATOM 1291 O ASN A 80 -16.894 -2.891 5.681 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.736 -1.884 2.494 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.084 -3.328 2.211 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.207 -4.147 1.940 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.373 -3.648 2.273 1.00 2.05 N ATOM 0 H ASN A 80 -15.067 -3.520 4.397 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.532 -0.717 3.842 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.652 -1.295 2.540 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.143 -1.488 1.670 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.670 -4.607 2.092 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.065 -2.935 2.502 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.707 -0.845 5.216 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.668 -0.821 6.313 1.00 0.82 C ATOM 1304 C ALA A 81 -19.384 -2.162 6.504 1.00 0.88 C ATOM 1305 O ALA A 81 -19.599 -2.597 7.635 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.683 0.287 6.070 1.00 0.83 C ATOM 0 H ALA A 81 -17.713 -0.001 4.644 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.113 -0.630 7.232 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.403 0.307 6.888 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.168 1.246 6.016 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.206 0.102 5.132 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.764 -2.809 5.404 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.468 -4.091 5.475 1.00 0.90 C ATOM 1314 C ALA A 82 -19.565 -5.225 5.952 1.00 0.88 C ATOM 1315 O ALA A 82 -20.045 -6.302 6.303 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.065 -4.443 4.121 1.00 0.94 C ATOM 0 H ALA A 82 -19.598 -2.470 4.456 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.265 -3.975 6.209 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.585 -5.399 4.190 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.770 -3.667 3.821 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.269 -4.516 3.380 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.259 -4.989 5.953 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.328 -6.016 6.374 1.00 0.86 C ATOM 1324 C GLY A 83 -16.698 -6.737 5.192 1.00 0.78 C ATOM 1325 O GLY A 83 -15.775 -7.532 5.365 1.00 0.93 O ATOM 0 H GLY A 83 -17.830 -4.108 5.671 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.544 -5.566 6.983 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.847 -6.738 7.004 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.194 -6.451 3.984 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.670 -7.070 2.773 1.00 0.78 C ATOM 1331 C ALA A 84 -15.242 -6.607 2.528 1.00 0.76 C ATOM 1332 O ALA A 84 -14.759 -5.696 3.196 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.556 -6.737 1.580 1.00 0.92 C ATOM 0 H ALA A 84 -17.958 -5.794 3.824 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.667 -8.152 2.903 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.151 -7.207 0.684 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.564 -7.109 1.761 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.588 -5.656 1.441 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.559 -7.237 1.580 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.182 -6.867 1.292 1.00 0.40 C ATOM 1341 C ILE A 85 -12.996 -6.375 -0.144 1.00 0.38 C ATOM 1342 O ILE A 85 -13.240 -7.111 -1.100 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.216 -8.053 1.587 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.859 -7.530 2.070 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.035 -8.976 0.379 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.335 -6.345 1.286 1.00 0.79 C ATOM 0 H ILE A 85 -14.930 -7.995 1.006 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.937 -6.036 1.953 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.673 -8.648 2.377 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.944 -7.248 3.120 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.130 -8.339 2.015 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.353 -9.785 0.639 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.000 -9.393 0.092 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.623 -8.407 -0.455 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.371 -6.037 1.692 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.215 -6.625 0.240 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.041 -5.518 1.361 1.00 0.79 H new ATOM 1358 N SER A 86 -12.534 -5.135 -0.289 1.00 0.39 N ATOM 1359 CA SER A 86 -12.287 -4.582 -1.611 1.00 0.45 C ATOM 1360 C SER A 86 -10.922 -5.080 -2.086 1.00 0.44 C ATOM 1361 O SER A 86 -9.901 -4.804 -1.431 1.00 0.43 O ATOM 1362 CB SER A 86 -12.334 -3.048 -1.596 1.00 0.54 C ATOM 1363 OG SER A 86 -11.034 -2.490 -1.485 1.00 0.59 O ATOM 0 H SER A 86 -12.326 -4.504 0.485 1.00 0.39 H new ATOM 0 HA SER A 86 -13.067 -4.913 -2.296 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.809 -2.688 -2.509 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.949 -2.710 -0.762 1.00 0.54 H new ATOM 0 HG SER A 86 -10.708 -2.600 -0.567 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.878 -5.829 -3.207 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.634 -6.380 -3.742 1.00 0.61 C ATOM 1371 C PRO A 87 -8.502 -5.362 -3.790 1.00 0.54 C ATOM 1372 O PRO A 87 -8.734 -4.153 -3.770 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.009 -6.864 -5.149 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.400 -6.380 -5.392 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.026 -6.212 -4.039 1.00 0.59 C ATOM 0 HA PRO A 87 -9.249 -7.177 -3.106 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.321 -6.466 -5.895 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.957 -7.951 -5.215 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.394 -5.437 -5.938 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.961 -7.094 -5.995 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.800 -5.445 -4.042 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.492 -7.133 -3.689 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.249 -5.851 -3.841 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.063 -4.993 -3.874 1.00 0.56 C ATOM 1385 C PRO A 88 -5.921 -4.189 -5.154 1.00 0.48 C ATOM 1386 O PRO A 88 -6.532 -4.499 -6.176 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.898 -5.976 -3.750 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.439 -7.282 -4.218 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.896 -7.284 -3.854 1.00 0.72 C ATOM 0 HA PRO A 88 -6.111 -4.245 -3.083 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.050 -5.660 -4.358 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.546 -6.042 -2.721 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.306 -7.396 -5.294 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.917 -8.113 -3.743 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.491 -7.837 -4.581 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.067 -7.748 -2.883 1.00 0.72 H new ATOM 1397 N SER A 89 -5.090 -3.156 -5.081 1.00 0.43 N ATOM 1398 CA SER A 89 -4.828 -2.293 -6.218 1.00 0.42 C ATOM 1399 C SER A 89 -3.376 -2.439 -6.654 1.00 0.35 C ATOM 1400 O SER A 89 -2.475 -2.456 -5.807 1.00 0.51 O ATOM 1401 CB SER A 89 -5.130 -0.836 -5.867 1.00 0.56 C ATOM 1402 OG SER A 89 -6.453 -0.694 -5.379 1.00 1.28 O ATOM 0 H SER A 89 -4.583 -2.897 -4.235 1.00 0.43 H new ATOM 0 HA SER A 89 -5.479 -2.590 -7.040 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.422 -0.485 -5.116 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.995 -0.210 -6.749 1.00 0.56 H new ATOM 0 HG SER A 89 -6.718 0.248 -5.422 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.178 -2.551 -7.977 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.855 -2.713 -8.609 1.00 0.37 C ATOM 1410 C GLU A 90 -0.692 -2.275 -7.712 1.00 0.34 C ATOM 1411 O GLU A 90 -0.478 -1.086 -7.503 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.807 -1.926 -9.921 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.651 -2.805 -11.153 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.894 -2.114 -12.271 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.648 -0.895 -12.155 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.545 -2.792 -13.260 1.00 1.76 O ATOM 0 H GLU A 90 -3.944 -2.531 -8.650 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.730 -3.780 -8.793 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.721 -1.339 -10.017 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.978 -1.220 -9.881 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.128 -3.721 -10.877 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.637 -3.097 -11.514 1.00 0.90 H new ATOM 1423 N PRO A 91 0.075 -3.237 -7.172 1.00 0.30 N ATOM 1424 CA PRO A 91 1.212 -2.941 -6.299 1.00 0.29 C ATOM 1425 C PRO A 91 2.080 -1.799 -6.810 1.00 0.31 C ATOM 1426 O PRO A 91 2.320 -1.669 -8.011 1.00 0.55 O ATOM 1427 CB PRO A 91 1.995 -4.246 -6.301 1.00 0.36 C ATOM 1428 CG PRO A 91 0.964 -5.302 -6.499 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.102 -4.690 -7.369 1.00 0.39 C ATOM 0 HA PRO A 91 0.886 -2.613 -5.312 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.737 -4.262 -7.099 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.532 -4.387 -5.363 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.395 -6.183 -6.974 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.549 -5.625 -5.544 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.025 -4.970 -8.415 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.098 -5.016 -7.070 1.00 0.39 H new ATOM 1437 N SER A 92 2.558 -0.979 -5.879 1.00 0.27 N ATOM 1438 CA SER A 92 3.410 0.147 -6.211 1.00 0.31 C ATOM 1439 C SER A 92 4.808 -0.342 -6.524 1.00 0.27 C ATOM 1440 O SER A 92 5.272 -1.331 -5.944 1.00 0.24 O ATOM 1441 CB SER A 92 3.466 1.155 -5.062 1.00 0.39 C ATOM 1442 OG SER A 92 2.808 0.667 -3.910 1.00 1.23 O ATOM 0 H SER A 92 2.365 -1.079 -4.882 1.00 0.27 H new ATOM 0 HA SER A 92 2.989 0.644 -7.085 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.506 1.376 -4.822 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.005 2.092 -5.376 1.00 0.39 H new ATOM 0 HG SER A 92 1.977 0.218 -4.173 1.00 1.23 H new ATOM 1448 N ASP A 93 5.465 0.364 -7.442 1.00 0.33 N ATOM 1449 CA ASP A 93 6.824 0.037 -7.873 1.00 0.36 C ATOM 1450 C ASP A 93 7.680 -0.459 -6.716 1.00 0.32 C ATOM 1451 O ASP A 93 7.523 -0.018 -5.578 1.00 0.56 O ATOM 1452 CB ASP A 93 7.482 1.258 -8.513 1.00 0.45 C ATOM 1453 CG ASP A 93 6.860 1.618 -9.847 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.618 0.697 -10.656 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.616 2.820 -10.085 1.00 1.63 O ATOM 0 H ASP A 93 5.070 1.180 -7.909 1.00 0.33 H new ATOM 0 HA ASP A 93 6.750 -0.767 -8.606 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.400 2.108 -7.836 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.545 1.063 -8.652 1.00 0.45 H new ATOM 1460 N ALA A 94 8.587 -1.377 -7.018 1.00 0.33 N ATOM 1461 CA ALA A 94 9.467 -1.931 -6.005 1.00 0.28 C ATOM 1462 C ALA A 94 10.593 -0.957 -5.680 1.00 0.29 C ATOM 1463 O ALA A 94 11.495 -0.749 -6.490 1.00 0.41 O ATOM 1464 CB ALA A 94 10.047 -3.253 -6.472 1.00 0.34 C ATOM 0 H ALA A 94 8.731 -1.752 -7.956 1.00 0.33 H new ATOM 0 HA ALA A 94 8.880 -2.101 -5.102 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.704 -3.655 -5.701 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.238 -3.958 -6.663 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.616 -3.097 -7.389 1.00 0.34 H new ATOM 1470 N ILE A 95 10.540 -0.365 -4.496 1.00 0.25 N ATOM 1471 CA ILE A 95 11.566 0.581 -4.082 1.00 0.28 C ATOM 1472 C ILE A 95 12.744 -0.146 -3.444 1.00 0.26 C ATOM 1473 O ILE A 95 12.608 -0.733 -2.371 1.00 0.25 O ATOM 1474 CB ILE A 95 11.011 1.619 -3.083 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.835 2.379 -3.701 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.106 2.589 -2.661 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.482 1.817 -3.323 1.00 0.44 C ATOM 0 H ILE A 95 9.803 -0.521 -3.809 1.00 0.25 H new ATOM 0 HA ILE A 95 11.901 1.103 -4.979 1.00 0.28 H new ATOM 0 HB ILE A 95 10.656 1.091 -2.198 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.885 3.423 -3.390 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.934 2.364 -4.786 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.698 3.314 -1.957 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.917 2.038 -2.185 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.488 3.111 -3.539 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.698 2.406 -3.798 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.411 0.782 -3.658 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.361 1.857 -2.240 1.00 0.44 H new ATOM 1489 N THR A 96 13.905 -0.107 -4.102 1.00 0.29 N ATOM 1490 CA THR A 96 15.095 -0.767 -3.573 1.00 0.32 C ATOM 1491 C THR A 96 15.322 -0.352 -2.132 1.00 0.32 C ATOM 1492 O THR A 96 15.579 -1.188 -1.268 1.00 0.38 O ATOM 1493 CB THR A 96 16.338 -0.428 -4.399 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.174 -0.834 -5.746 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.601 -1.083 -3.868 1.00 0.43 C ATOM 0 H THR A 96 14.044 0.370 -4.993 1.00 0.29 H new ATOM 0 HA THR A 96 14.928 -1.843 -3.628 1.00 0.32 H new ATOM 0 HB THR A 96 16.449 0.654 -4.328 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.979 -0.606 -6.257 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.447 -0.804 -4.496 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.782 -0.749 -2.846 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.482 -2.166 -3.880 1.00 0.43 H new ATOM 1503 N CYS A 97 15.223 0.951 -1.885 1.00 0.32 N ATOM 1504 CA CYS A 97 15.418 1.481 -0.549 1.00 0.36 C ATOM 1505 C CYS A 97 16.792 1.091 -0.040 1.00 0.43 C ATOM 1506 O CYS A 97 17.030 -0.063 0.272 1.00 0.64 O ATOM 1507 CB CYS A 97 14.339 0.944 0.389 1.00 0.38 C ATOM 1508 SG CYS A 97 12.839 1.950 0.440 1.00 1.10 S ATOM 0 H CYS A 97 15.009 1.653 -2.593 1.00 0.32 H new ATOM 0 HA CYS A 97 15.345 2.568 -0.581 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.075 -0.068 0.080 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.750 0.873 1.396 1.00 0.38 H new ATOM 0 HG CYS A 97 12.762 2.556 1.587 1.00 1.10 H new ATOM 1514 N ARG A 98 17.697 2.052 0.033 1.00 0.53 N ATOM 1515 CA ARG A 98 19.054 1.785 0.501 1.00 0.63 C ATOM 1516 C ARG A 98 19.550 2.928 1.377 1.00 0.80 C ATOM 1517 O ARG A 98 19.434 2.884 2.601 1.00 1.04 O ATOM 1518 CB ARG A 98 20.001 1.566 -0.688 1.00 0.68 C ATOM 1519 CG ARG A 98 19.548 2.247 -1.974 1.00 0.74 C ATOM 1520 CD ARG A 98 20.718 2.825 -2.750 1.00 0.92 C ATOM 1521 NE ARG A 98 21.741 1.822 -3.034 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.992 2.122 -3.370 1.00 2.31 C ATOM 1523 NH1 ARG A 98 23.372 3.389 -3.460 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.865 1.154 -3.613 1.00 2.68 N ATOM 0 H ARG A 98 17.521 3.023 -0.224 1.00 0.53 H new ATOM 0 HA ARG A 98 19.039 0.874 1.100 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.992 1.935 -0.423 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.098 0.496 -0.870 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.018 1.528 -2.598 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.842 3.043 -1.735 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.357 3.248 -3.687 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.161 3.642 -2.181 1.00 0.92 H new ATOM 0 HE ARG A 98 21.482 0.838 -2.971 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.704 4.136 -3.271 1.00 3.00 H new ATOM 0 HH12 ARG A 98 24.332 3.616 -3.718 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.577 0.178 -3.542 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.824 1.385 -3.871 1.00 2.68 H new ATOM 1538 N ASP A 99 20.091 3.950 0.737 1.00 0.92 N ATOM 1539 CA ASP A 99 20.595 5.122 1.438 1.00 1.20 C ATOM 1540 C ASP A 99 19.640 6.284 1.219 1.00 1.03 C ATOM 1541 O ASP A 99 20.047 7.444 1.153 1.00 1.20 O ATOM 1542 CB ASP A 99 21.988 5.486 0.927 1.00 1.61 C ATOM 1543 CG ASP A 99 21.991 5.837 -0.548 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.618 4.968 -1.365 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.364 6.979 -0.887 1.00 2.14 O ATOM 0 H ASP A 99 20.194 3.993 -0.277 1.00 0.92 H new ATOM 0 HA ASP A 99 20.665 4.903 2.503 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.372 6.330 1.499 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.665 4.649 1.100 1.00 1.61 H new ATOM 1550 N ASP A 100 18.360 5.948 1.090 1.00 0.85 N ATOM 1551 CA ASP A 100 17.311 6.931 0.856 1.00 0.92 C ATOM 1552 C ASP A 100 17.694 7.898 -0.265 1.00 1.22 C ATOM 1553 O ASP A 100 17.190 9.019 -0.333 1.00 1.38 O ATOM 1554 CB ASP A 100 16.976 7.686 2.151 1.00 0.87 C ATOM 1555 CG ASP A 100 15.723 7.168 2.841 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.613 7.594 2.459 1.00 2.06 O ATOM 1557 OD2 ASP A 100 15.854 6.340 3.766 1.00 2.03 O ATOM 0 H ASP A 100 18.022 4.987 1.145 1.00 0.85 H new ATOM 0 HA ASP A 100 16.417 6.397 0.534 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.819 7.608 2.837 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.846 8.744 1.924 1.00 0.87 H new