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 114:sc= 0.949 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc=-0.00426 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -125:sc= -0.939 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -4.9 K(o=-5.8,f=-20!) USER MOD Set 3.1: A 34 THR OG1 : rot -45:sc= 1.01 USER MOD Set 3.2: A 35 SER OG : rot -62:sc= -0.484! USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.982 USER MOD Set 4.2: A 62 THR OG1 : rot -119:sc= 0.975 USER MOD Set 5.1: A 14 THR OG1 : rot 82:sc= 0.995 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.727) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.126 F(o=-1.2,f=-0.13) USER MOD Single : A 16 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-1.5) 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 41:sc= 0.36 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.0118 F(o=-0.6,f=-0.012) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.6!) USER MOD Single : A 54 SER OG : rot 86:sc= 0.89 USER MOD Single : A 55 ASN : amide:sc= 0.0257 K(o=0.026,f=-0.85) 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= -7.61! C(o=-7.6!,f=-11!) USER MOD Single : A 86 SER OG : rot -126:sc= -0.18 USER MOD Single : A 89 SER OG : rot 149:sc= -3.65 USER MOD Single : A 92 SER OG : rot -170:sc= -1.04 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -42:sc= -2.26 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.565 -2.980 -5.394 1.00 0.68 N ATOM 27 CA ILE A 2 -17.504 -2.346 -4.617 1.00 0.61 C ATOM 28 C ILE A 2 -16.296 -2.041 -5.496 1.00 0.57 C ATOM 29 O ILE A 2 -16.028 -2.747 -6.469 1.00 0.63 O ATOM 30 CB ILE A 2 -17.070 -3.231 -3.430 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.035 -2.502 -2.565 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.509 -4.551 -3.932 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.411 -3.375 -1.491 1.00 0.56 C ATOM 0 HA ILE A 2 -17.905 -1.412 -4.224 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.946 -3.438 -2.815 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.246 -2.114 -3.209 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.511 -1.643 -2.091 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.207 -5.164 -3.083 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.273 -5.076 -4.506 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.644 -4.361 -4.568 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.690 -2.790 -0.920 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.190 -3.742 -0.823 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.905 -4.220 -1.958 1.00 0.56 H new ATOM 45 N ASP A 3 -15.570 -0.982 -5.151 1.00 0.55 N ATOM 46 CA ASP A 3 -14.393 -0.577 -5.911 1.00 0.54 C ATOM 47 C ASP A 3 -13.233 -0.251 -4.972 1.00 0.47 C ATOM 48 O ASP A 3 -13.386 0.542 -4.043 1.00 0.49 O ATOM 49 CB ASP A 3 -14.723 0.642 -6.780 1.00 0.61 C ATOM 50 CG ASP A 3 -16.191 1.014 -6.729 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.689 1.324 -5.625 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.845 0.999 -7.795 1.00 1.64 O ATOM 0 H ASP A 3 -15.777 -0.388 -4.348 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.095 -1.404 -6.555 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.125 1.491 -6.450 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.440 0.435 -7.812 1.00 0.61 H new ATOM 57 N PRO A 4 -12.053 -0.857 -5.197 1.00 0.44 N ATOM 58 CA PRO A 4 -10.876 -0.616 -4.362 1.00 0.41 C ATOM 59 C PRO A 4 -10.199 0.707 -4.691 1.00 0.38 C ATOM 60 O PRO A 4 -10.322 1.214 -5.807 1.00 0.43 O ATOM 61 CB PRO A 4 -9.962 -1.790 -4.710 1.00 0.45 C ATOM 62 CG PRO A 4 -10.291 -2.090 -6.132 1.00 0.50 C ATOM 63 CD PRO A 4 -11.767 -1.818 -6.281 1.00 0.50 C ATOM 0 HA PRO A 4 -11.125 -0.549 -3.303 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.911 -1.528 -4.590 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.152 -2.649 -4.066 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.708 -1.464 -6.808 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.058 -3.126 -6.377 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.001 -1.400 -7.260 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.356 -2.729 -6.175 1.00 0.50 H new ATOM 71 N PRO A 5 -9.477 1.290 -3.720 1.00 0.37 N ATOM 72 CA PRO A 5 -8.782 2.560 -3.903 1.00 0.39 C ATOM 73 C PRO A 5 -8.008 2.626 -5.215 1.00 0.38 C ATOM 74 O PRO A 5 -7.952 1.655 -5.970 1.00 0.47 O ATOM 75 CB PRO A 5 -7.811 2.634 -2.718 1.00 0.46 C ATOM 76 CG PRO A 5 -7.982 1.367 -1.942 1.00 0.71 C ATOM 77 CD PRO A 5 -9.287 0.759 -2.367 1.00 0.43 C ATOM 0 HA PRO A 5 -9.489 3.389 -3.943 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.783 2.739 -3.066 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.027 3.502 -2.095 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.157 0.682 -2.137 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.982 1.569 -0.871 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.244 -0.330 -2.364 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.101 1.048 -1.703 1.00 0.43 H new ATOM 85 N GLY A 6 -7.409 3.783 -5.476 1.00 0.37 N ATOM 86 CA GLY A 6 -6.640 3.967 -6.696 1.00 0.39 C ATOM 87 C GLY A 6 -5.224 3.428 -6.582 1.00 0.42 C ATOM 88 O GLY A 6 -4.777 3.063 -5.494 1.00 0.66 O ATOM 0 H GLY A 6 -7.442 4.599 -4.864 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.149 3.468 -7.521 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.602 5.029 -6.940 1.00 0.39 H new ATOM 92 N LYS A 7 -4.516 3.381 -7.709 1.00 0.41 N ATOM 93 CA LYS A 7 -3.141 2.888 -7.730 1.00 0.44 C ATOM 94 C LYS A 7 -2.279 3.688 -6.754 1.00 0.37 C ATOM 95 O LYS A 7 -2.281 4.918 -6.797 1.00 0.42 O ATOM 96 CB LYS A 7 -2.560 2.990 -9.143 1.00 0.54 C ATOM 97 CG LYS A 7 -1.169 2.389 -9.275 1.00 0.64 C ATOM 98 CD LYS A 7 -0.343 3.113 -10.326 1.00 1.01 C ATOM 99 CE LYS A 7 1.120 2.703 -10.264 1.00 0.95 C ATOM 100 NZ LYS A 7 1.366 1.411 -10.962 1.00 1.52 N ATOM 0 H LYS A 7 -4.871 3.678 -8.618 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.144 1.841 -7.426 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.231 2.488 -9.840 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.523 4.039 -9.436 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.658 2.438 -8.313 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.251 1.335 -9.539 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.741 2.895 -11.317 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.427 4.190 -10.178 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.734 3.482 -10.715 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.429 2.617 -9.222 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.223 0.966 -10.576 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.553 0.779 -10.819 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.494 1.585 -11.979 1.00 1.52 H new ATOM 114 N PRO A 8 -1.530 3.021 -5.851 1.00 0.34 N ATOM 115 CA PRO A 8 -0.682 3.703 -4.870 1.00 0.32 C ATOM 116 C PRO A 8 0.645 4.154 -5.473 1.00 0.33 C ATOM 117 O PRO A 8 1.310 3.392 -6.174 1.00 0.44 O ATOM 118 CB PRO A 8 -0.454 2.624 -3.790 1.00 0.39 C ATOM 119 CG PRO A 8 -1.356 1.495 -4.179 1.00 0.44 C ATOM 120 CD PRO A 8 -1.431 1.569 -5.671 1.00 0.41 C ATOM 0 HA PRO A 8 -1.142 4.614 -4.487 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.588 2.306 -3.763 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.698 3.001 -2.797 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.956 0.536 -3.849 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.342 1.601 -3.727 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.549 1.149 -6.154 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.296 1.040 -6.071 1.00 0.41 H new ATOM 128 N VAL A 9 1.021 5.399 -5.196 1.00 0.34 N ATOM 129 CA VAL A 9 2.268 5.957 -5.709 1.00 0.38 C ATOM 130 C VAL A 9 3.117 6.534 -4.574 1.00 0.34 C ATOM 131 O VAL A 9 2.698 7.473 -3.898 1.00 0.35 O ATOM 132 CB VAL A 9 1.997 7.055 -6.759 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.432 8.313 -6.110 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.266 7.368 -7.537 1.00 0.53 C ATOM 0 H VAL A 9 0.479 6.042 -4.618 1.00 0.34 H new ATOM 0 HA VAL A 9 2.816 5.143 -6.185 1.00 0.38 H new ATOM 0 HB VAL A 9 1.248 6.680 -7.456 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.252 9.068 -6.875 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.494 8.074 -5.608 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.145 8.698 -5.381 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.059 8.144 -8.274 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.037 7.716 -6.850 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.612 6.468 -8.045 1.00 0.53 H new ATOM 144 N PRO A 10 4.320 5.980 -4.340 1.00 0.34 N ATOM 145 CA PRO A 10 5.206 6.448 -3.276 1.00 0.32 C ATOM 146 C PRO A 10 5.666 7.890 -3.473 1.00 0.37 C ATOM 147 O PRO A 10 6.670 8.137 -4.140 1.00 0.64 O ATOM 148 CB PRO A 10 6.407 5.507 -3.344 1.00 0.38 C ATOM 149 CG PRO A 10 5.936 4.329 -4.124 1.00 0.39 C ATOM 150 CD PRO A 10 4.905 4.856 -5.078 1.00 0.42 C ATOM 0 HA PRO A 10 4.692 6.439 -2.315 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.256 5.987 -3.830 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.734 5.214 -2.347 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.761 3.860 -4.660 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.510 3.570 -3.468 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.352 5.179 -6.018 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.158 4.101 -5.323 1.00 0.42 H new ATOM 158 N LEU A 11 4.944 8.844 -2.885 1.00 0.34 N ATOM 159 CA LEU A 11 5.318 10.253 -3.001 1.00 0.43 C ATOM 160 C LEU A 11 6.774 10.419 -2.586 1.00 0.43 C ATOM 161 O LEU A 11 7.549 11.132 -3.222 1.00 0.57 O ATOM 162 CB LEU A 11 4.426 11.132 -2.119 1.00 0.56 C ATOM 163 CG LEU A 11 2.921 10.882 -2.244 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.249 11.030 -0.889 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.304 11.837 -3.254 1.00 1.64 C ATOM 0 H LEU A 11 4.106 8.670 -2.330 1.00 0.34 H new ATOM 0 HA LEU A 11 5.186 10.566 -4.037 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.716 10.984 -1.079 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.624 12.177 -2.360 1.00 0.56 H new ATOM 0 HG LEU A 11 2.766 9.863 -2.598 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.179 10.850 -0.992 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.673 10.308 -0.192 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.412 12.039 -0.510 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.234 11.645 -3.330 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.466 12.865 -2.929 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.769 11.687 -4.228 1.00 1.64 H new ATOM 177 N ASN A 12 7.125 9.725 -1.512 1.00 0.34 N ATOM 178 CA ASN A 12 8.476 9.735 -0.977 1.00 0.36 C ATOM 179 C ASN A 12 8.899 8.299 -0.711 1.00 0.37 C ATOM 180 O ASN A 12 8.055 7.442 -0.462 1.00 0.58 O ATOM 181 CB ASN A 12 8.544 10.555 0.312 1.00 0.42 C ATOM 182 CG ASN A 12 9.953 11.011 0.631 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.783 10.081 1.088 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.292 12.184 0.469 1.00 0.71 N flip ATOM 0 H ASN A 12 6.477 9.138 -0.987 1.00 0.34 H new ATOM 0 HA ASN A 12 9.150 10.196 -1.699 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.895 11.426 0.220 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.162 9.958 1.140 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.620 12.865 0.115 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.245 12.474 0.689 1.00 0.71 H new ATOM 191 N ILE A 13 10.191 8.021 -0.780 1.00 0.38 N ATOM 192 CA ILE A 13 10.664 6.664 -0.560 1.00 0.43 C ATOM 193 C ILE A 13 11.989 6.627 0.192 1.00 0.53 C ATOM 194 O ILE A 13 13.052 6.820 -0.395 1.00 0.75 O ATOM 195 CB ILE A 13 10.819 5.922 -1.895 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.469 6.847 -2.928 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.458 5.424 -2.376 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.482 6.280 -4.323 1.00 0.96 C ATOM 0 H ILE A 13 10.920 8.704 -0.983 1.00 0.38 H new ATOM 0 HA ILE A 13 9.913 6.168 0.054 1.00 0.43 H new ATOM 0 HB ILE A 13 11.466 5.055 -1.758 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.937 7.798 -2.937 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.493 7.057 -2.621 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.577 4.899 -3.324 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.036 4.745 -1.635 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.788 6.273 -2.513 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.957 6.990 -5.000 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.039 5.343 -4.330 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.459 6.096 -4.650 1.00 0.96 H new ATOM 210 N THR A 14 11.914 6.361 1.492 1.00 0.59 N ATOM 211 CA THR A 14 13.103 6.282 2.330 1.00 0.71 C ATOM 212 C THR A 14 13.526 4.827 2.509 1.00 0.79 C ATOM 213 O THR A 14 12.687 3.930 2.583 1.00 1.46 O ATOM 214 CB THR A 14 12.849 6.933 3.690 1.00 0.75 C ATOM 215 OG1 THR A 14 11.635 7.663 3.676 1.00 0.69 O ATOM 216 CG2 THR A 14 13.950 7.884 4.110 1.00 0.94 C ATOM 0 H THR A 14 11.038 6.196 1.989 1.00 0.59 H new ATOM 0 HA THR A 14 13.910 6.824 1.836 1.00 0.71 H new ATOM 0 HB THR A 14 12.807 6.110 4.403 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.883 7.050 3.815 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.709 8.312 5.083 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.894 7.342 4.175 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.041 8.683 3.374 1.00 0.94 H new ATOM 224 N ARG A 15 14.832 4.601 2.561 1.00 0.66 N ATOM 225 CA ARG A 15 15.373 3.252 2.710 1.00 0.67 C ATOM 226 C ARG A 15 14.681 2.467 3.824 1.00 0.71 C ATOM 227 O ARG A 15 14.682 1.236 3.808 1.00 1.19 O ATOM 228 CB ARG A 15 16.881 3.298 2.967 1.00 0.80 C ATOM 229 CG ARG A 15 17.351 4.526 3.733 1.00 0.96 C ATOM 230 CD ARG A 15 16.516 4.771 4.979 1.00 1.13 C ATOM 231 NE ARG A 15 17.269 5.483 6.008 1.00 1.43 N ATOM 232 CZ ARG A 15 17.616 6.762 5.915 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.275 7.466 4.844 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.303 7.340 6.890 1.00 1.90 N ATOM 0 H ARG A 15 15.539 5.334 2.502 1.00 0.66 H new ATOM 0 HA ARG A 15 15.181 2.733 1.771 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.170 2.406 3.522 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.402 3.260 2.010 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.396 4.400 4.016 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.300 5.400 3.084 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.629 5.347 4.714 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.170 3.817 5.377 1.00 1.13 H new ATOM 0 HE ARG A 15 17.544 4.969 6.845 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.746 7.025 4.091 1.00 2.42 H new ATOM 0 HH12 ARG A 15 17.542 8.448 4.773 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.567 6.803 7.716 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.567 8.322 6.815 1.00 1.90 H new ATOM 248 N HIS A 16 14.100 3.168 4.793 1.00 0.50 N ATOM 249 CA HIS A 16 13.425 2.499 5.901 1.00 0.54 C ATOM 250 C HIS A 16 12.030 3.063 6.131 1.00 0.57 C ATOM 251 O HIS A 16 11.537 3.075 7.258 1.00 0.97 O ATOM 252 CB HIS A 16 14.253 2.631 7.179 1.00 0.67 C ATOM 253 CG HIS A 16 15.276 1.550 7.342 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.190 0.546 8.281 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.427 1.325 6.658 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.267 -0.239 8.143 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.048 0.190 7.171 1.00 0.86 N ATOM 0 H HIS A 16 14.082 4.187 4.835 1.00 0.50 H new ATOM 0 HA HIS A 16 13.324 1.446 5.638 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.755 3.598 7.179 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.584 2.619 8.039 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.440 0.422 8.961 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.801 1.930 5.845 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.469 -1.110 8.749 1.00 1.02 H new ATOM 265 N THR A 17 11.397 3.526 5.061 1.00 0.43 N ATOM 266 CA THR A 17 10.055 4.088 5.149 1.00 0.42 C ATOM 267 C THR A 17 9.648 4.712 3.824 1.00 0.38 C ATOM 268 O THR A 17 10.201 5.731 3.421 1.00 0.56 O ATOM 269 CB THR A 17 9.980 5.154 6.247 1.00 0.56 C ATOM 270 OG1 THR A 17 11.265 5.700 6.516 1.00 0.65 O ATOM 271 CG2 THR A 17 9.399 4.640 7.549 1.00 0.68 C ATOM 0 H THR A 17 11.792 3.524 4.121 1.00 0.43 H new ATOM 0 HA THR A 17 9.373 3.274 5.392 1.00 0.42 H new ATOM 0 HB THR A 17 9.310 5.920 5.857 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.191 6.379 7.219 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.376 5.447 8.281 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.386 4.277 7.377 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.017 3.825 7.927 1.00 0.68 H new ATOM 279 N VAL A 18 8.675 4.111 3.149 1.00 0.27 N ATOM 280 CA VAL A 18 8.217 4.650 1.882 1.00 0.33 C ATOM 281 C VAL A 18 6.800 5.205 2.021 1.00 0.32 C ATOM 282 O VAL A 18 5.929 4.579 2.615 1.00 0.51 O ATOM 283 CB VAL A 18 8.312 3.625 0.724 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.676 2.947 0.694 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.193 2.606 0.739 1.00 0.80 C ATOM 0 H VAL A 18 8.197 3.264 3.455 1.00 0.27 H new ATOM 0 HA VAL A 18 8.888 5.467 1.618 1.00 0.33 H new ATOM 0 HB VAL A 18 8.194 4.195 -0.197 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.710 2.234 -0.130 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.453 3.699 0.555 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.842 2.422 1.635 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.317 1.917 -0.097 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.221 2.049 1.675 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.234 3.117 0.649 1.00 0.80 H new ATOM 295 N THR A 19 6.588 6.405 1.498 1.00 0.27 N ATOM 296 CA THR A 19 5.290 7.068 1.592 1.00 0.24 C ATOM 297 C THR A 19 4.512 6.991 0.280 1.00 0.22 C ATOM 298 O THR A 19 4.891 7.637 -0.690 1.00 0.34 O ATOM 299 CB THR A 19 5.508 8.538 1.979 1.00 0.28 C ATOM 300 OG1 THR A 19 5.796 8.657 3.360 1.00 0.35 O ATOM 301 CG2 THR A 19 4.328 9.444 1.676 1.00 0.32 C ATOM 0 H THR A 19 7.299 6.942 1.002 1.00 0.27 H new ATOM 0 HA THR A 19 4.700 6.555 2.352 1.00 0.24 H new ATOM 0 HB THR A 19 6.348 8.862 1.364 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.932 9.601 3.586 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.565 10.464 1.980 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.119 9.423 0.607 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.452 9.096 2.224 1.00 0.32 H new ATOM 309 N LEU A 20 3.413 6.233 0.265 1.00 0.28 N ATOM 310 CA LEU A 20 2.590 6.123 -0.936 1.00 0.26 C ATOM 311 C LEU A 20 1.168 6.602 -0.676 1.00 0.28 C ATOM 312 O LEU A 20 0.605 6.403 0.405 1.00 0.40 O ATOM 313 CB LEU A 20 2.573 4.698 -1.527 1.00 0.33 C ATOM 314 CG LEU A 20 2.932 3.547 -0.583 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.347 3.709 -0.067 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.940 3.443 0.563 1.00 0.52 C ATOM 0 H LEU A 20 3.077 5.693 1.062 1.00 0.28 H new ATOM 0 HA LEU A 20 3.054 6.772 -1.678 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.577 4.509 -1.927 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.264 4.673 -2.369 1.00 0.33 H new ATOM 0 HG LEU A 20 2.877 2.616 -1.147 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.587 2.883 0.603 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.043 3.710 -0.906 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.431 4.651 0.475 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.223 2.617 1.215 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.944 4.372 1.133 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.941 3.265 0.165 1.00 0.52 H new ATOM 328 N LYS A 21 0.605 7.243 -1.689 1.00 0.25 N ATOM 329 CA LYS A 21 -0.750 7.781 -1.628 1.00 0.31 C ATOM 330 C LYS A 21 -1.535 7.376 -2.874 1.00 0.31 C ATOM 331 O LYS A 21 -0.975 7.297 -3.967 1.00 0.51 O ATOM 332 CB LYS A 21 -0.691 9.312 -1.495 1.00 0.40 C ATOM 333 CG LYS A 21 -1.987 10.030 -1.846 1.00 0.81 C ATOM 334 CD LYS A 21 -3.136 9.572 -0.968 1.00 0.95 C ATOM 335 CE LYS A 21 -3.881 10.755 -0.370 1.00 1.26 C ATOM 336 NZ LYS A 21 -5.083 11.116 -1.172 1.00 1.84 N ATOM 0 H LYS A 21 1.074 7.406 -2.580 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.262 7.372 -0.757 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.418 9.564 -0.470 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.104 9.689 -2.139 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.849 11.105 -1.734 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.233 9.847 -2.892 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.825 8.965 -1.555 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.754 8.938 -0.168 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.183 10.516 0.650 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.212 11.614 -0.312 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.033 12.120 -1.440 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.116 10.530 -2.030 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.940 10.951 -0.607 1.00 1.84 H new ATOM 350 N TRP A 22 -2.831 7.113 -2.709 1.00 0.25 N ATOM 351 CA TRP A 22 -3.668 6.709 -3.834 1.00 0.24 C ATOM 352 C TRP A 22 -4.941 7.541 -3.936 1.00 0.24 C ATOM 353 O TRP A 22 -5.160 8.471 -3.165 1.00 0.40 O ATOM 354 CB TRP A 22 -4.032 5.236 -3.706 1.00 0.27 C ATOM 355 CG TRP A 22 -4.593 4.866 -2.369 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.910 4.727 -2.042 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.852 4.580 -1.179 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.033 4.368 -0.723 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.784 4.273 -0.170 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.491 4.551 -0.868 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.399 3.944 1.126 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.109 4.224 0.419 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.060 3.923 1.403 1.00 0.32 C ATOM 0 H TRP A 22 -3.319 7.172 -1.815 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.090 6.876 -4.743 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.759 4.983 -4.477 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.143 4.634 -3.896 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.736 4.877 -2.722 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.912 4.199 -0.234 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.750 4.780 -1.620 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.131 3.714 1.886 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.059 4.200 0.671 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.729 3.670 2.399 1.00 0.32 H new ATOM 374 N ALA A 23 -5.780 7.187 -4.904 1.00 0.31 N ATOM 375 CA ALA A 23 -7.036 7.884 -5.127 1.00 0.33 C ATOM 376 C ALA A 23 -8.184 7.196 -4.398 1.00 0.36 C ATOM 377 O ALA A 23 -8.086 6.027 -4.025 1.00 0.83 O ATOM 378 CB ALA A 23 -7.335 7.956 -6.616 1.00 0.36 C ATOM 0 H ALA A 23 -5.609 6.416 -5.549 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.938 8.894 -4.730 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.278 8.480 -6.773 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.533 8.493 -7.123 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.409 6.947 -7.021 1.00 0.36 H new ATOM 384 N LYS A 24 -9.272 7.932 -4.205 1.00 0.59 N ATOM 385 CA LYS A 24 -10.450 7.402 -3.530 1.00 0.61 C ATOM 386 C LYS A 24 -11.331 6.648 -4.520 1.00 0.59 C ATOM 387 O LYS A 24 -11.505 7.082 -5.659 1.00 0.69 O ATOM 388 CB LYS A 24 -11.245 8.547 -2.894 1.00 0.74 C ATOM 389 CG LYS A 24 -12.123 8.120 -1.729 1.00 1.21 C ATOM 390 CD LYS A 24 -13.445 7.533 -2.207 1.00 1.22 C ATOM 391 CE LYS A 24 -14.513 8.607 -2.350 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.327 8.753 -1.112 1.00 2.11 N ATOM 0 H LYS A 24 -9.363 8.902 -4.508 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.127 6.712 -2.750 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.548 9.311 -2.549 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.872 9.008 -3.657 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.594 7.382 -1.126 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.317 8.978 -1.086 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.298 7.035 -3.165 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.783 6.774 -1.502 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.039 9.560 -2.587 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.167 8.359 -3.186 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.042 9.495 -1.252 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.800 7.852 -0.899 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.708 9.015 -0.318 1.00 2.11 H new ATOM 406 N PRO A 25 -11.904 5.508 -4.101 1.00 0.56 N ATOM 407 CA PRO A 25 -12.773 4.702 -4.955 1.00 0.63 C ATOM 408 C PRO A 25 -13.778 5.554 -5.724 1.00 0.75 C ATOM 409 O PRO A 25 -13.891 6.758 -5.497 1.00 0.89 O ATOM 410 CB PRO A 25 -13.500 3.771 -3.973 1.00 0.63 C ATOM 411 CG PRO A 25 -13.076 4.202 -2.606 1.00 0.71 C ATOM 412 CD PRO A 25 -11.765 4.910 -2.772 1.00 0.58 C ATOM 0 HA PRO A 25 -12.204 4.168 -5.717 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.581 3.849 -4.089 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.234 2.729 -4.154 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.820 4.862 -2.159 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.972 3.343 -1.943 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.609 5.664 -2.000 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.921 4.222 -2.721 1.00 0.58 H new ATOM 420 N GLU A 26 -14.501 4.921 -6.637 1.00 0.85 N ATOM 421 CA GLU A 26 -15.491 5.624 -7.448 1.00 1.05 C ATOM 422 C GLU A 26 -16.915 5.266 -7.027 1.00 0.95 C ATOM 423 O GLU A 26 -17.834 6.073 -7.178 1.00 1.12 O ATOM 424 CB GLU A 26 -15.299 5.306 -8.938 1.00 1.29 C ATOM 425 CG GLU A 26 -13.894 4.839 -9.302 1.00 1.83 C ATOM 426 CD GLU A 26 -13.469 5.288 -10.686 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.331 5.792 -11.437 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.275 5.135 -11.019 1.00 2.77 O ATOM 0 H GLU A 26 -14.423 3.924 -6.836 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.342 6.692 -7.287 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.013 4.535 -9.228 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.536 6.196 -9.521 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.186 5.222 -8.567 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.852 3.751 -9.248 1.00 1.83 H new ATOM 435 N TYR A 27 -17.100 4.057 -6.506 1.00 0.85 N ATOM 436 CA TYR A 27 -18.424 3.614 -6.079 1.00 0.84 C ATOM 437 C TYR A 27 -18.401 3.030 -4.669 1.00 0.86 C ATOM 438 O TYR A 27 -18.955 3.616 -3.739 1.00 1.37 O ATOM 439 CB TYR A 27 -18.977 2.578 -7.059 1.00 0.86 C ATOM 440 CG TYR A 27 -20.489 2.529 -7.100 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.221 3.527 -7.734 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.185 1.486 -6.503 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.602 3.484 -7.771 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.565 1.435 -6.536 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.269 2.438 -7.171 1.00 1.19 C ATOM 446 OH TYR A 27 -24.644 2.394 -7.206 1.00 1.35 O ATOM 0 H TYR A 27 -16.357 3.371 -6.370 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.073 4.490 -6.068 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.602 2.799 -8.058 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.597 1.593 -6.786 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.702 4.349 -8.205 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.637 0.700 -6.004 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.156 4.267 -8.268 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.090 0.615 -6.068 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.958 1.592 -6.738 1.00 1.35 H new ATOM 456 N THR A 28 -17.772 1.867 -4.518 1.00 0.65 N ATOM 457 CA THR A 28 -17.695 1.202 -3.222 1.00 0.61 C ATOM 458 C THR A 28 -19.082 1.058 -2.614 1.00 0.66 C ATOM 459 O THR A 28 -19.303 1.383 -1.446 1.00 0.81 O ATOM 460 CB THR A 28 -16.773 1.966 -2.269 1.00 0.64 C ATOM 461 OG1 THR A 28 -16.972 3.363 -2.381 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.304 1.693 -2.514 1.00 0.79 C ATOM 0 H THR A 28 -17.309 1.367 -5.277 1.00 0.65 H new ATOM 0 HA THR A 28 -17.277 0.208 -3.377 1.00 0.61 H new ATOM 0 HB THR A 28 -17.035 1.611 -1.272 1.00 0.64 H new ATOM 0 HG1 THR A 28 -17.930 3.552 -2.460 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.705 2.265 -1.806 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.105 0.629 -2.383 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.044 1.988 -3.531 1.00 0.79 H new ATOM 470 N GLY A 29 -20.018 0.561 -3.422 1.00 0.75 N ATOM 471 CA GLY A 29 -21.386 0.370 -2.966 1.00 0.80 C ATOM 472 C GLY A 29 -21.898 1.536 -2.139 1.00 0.85 C ATOM 473 O GLY A 29 -22.396 2.523 -2.680 1.00 1.01 O ATOM 0 H GLY A 29 -19.851 0.286 -4.390 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.036 0.230 -3.830 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.443 -0.543 -2.373 1.00 0.80 H new ATOM 477 N GLY A 30 -21.765 1.419 -0.826 1.00 0.83 N ATOM 478 CA GLY A 30 -22.207 2.469 0.074 1.00 0.89 C ATOM 479 C GLY A 30 -21.374 2.484 1.335 1.00 0.85 C ATOM 480 O GLY A 30 -21.878 2.746 2.427 1.00 0.98 O ATOM 0 H GLY A 30 -21.355 0.608 -0.363 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.136 3.435 -0.425 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.256 2.318 0.328 1.00 0.89 H new ATOM 484 N PHE A 31 -20.093 2.183 1.171 1.00 0.73 N ATOM 485 CA PHE A 31 -19.155 2.130 2.284 1.00 0.69 C ATOM 486 C PHE A 31 -18.061 3.181 2.132 1.00 0.67 C ATOM 487 O PHE A 31 -18.119 4.032 1.244 1.00 0.74 O ATOM 488 CB PHE A 31 -18.519 0.737 2.380 1.00 0.63 C ATOM 489 CG PHE A 31 -19.186 -0.313 1.531 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.386 -0.892 1.920 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.604 -0.721 0.344 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.990 -1.857 1.136 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.203 -1.686 -0.443 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.436 -2.246 -0.026 1.00 0.83 C ATOM 0 H PHE A 31 -19.676 1.969 0.265 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.712 2.338 3.198 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.471 0.809 2.090 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.540 0.413 3.420 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.853 -0.585 2.845 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -17.670 -0.280 0.029 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.918 -2.304 1.461 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.738 -2.009 -1.363 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.930 -2.984 -0.640 1.00 0.83 H new ATOM 504 N LYS A 32 -17.065 3.113 3.006 1.00 0.68 N ATOM 505 CA LYS A 32 -15.952 4.057 2.972 1.00 0.72 C ATOM 506 C LYS A 32 -14.651 3.403 3.426 1.00 0.66 C ATOM 507 O LYS A 32 -13.750 4.081 3.918 1.00 0.74 O ATOM 508 CB LYS A 32 -16.250 5.270 3.855 1.00 0.86 C ATOM 509 CG LYS A 32 -17.108 4.954 5.071 1.00 1.38 C ATOM 510 CD LYS A 32 -17.032 6.059 6.113 1.00 1.38 C ATOM 511 CE LYS A 32 -15.775 5.945 6.960 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.546 7.165 7.782 1.00 2.26 N ATOM 0 H LYS A 32 -17.004 2.415 3.747 1.00 0.68 H new ATOM 0 HA LYS A 32 -15.832 4.382 1.939 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -15.307 5.703 4.191 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.753 6.028 3.255 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.144 4.817 4.760 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.781 4.013 5.513 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.050 7.029 5.617 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.910 6.014 6.757 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.856 5.077 7.614 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.915 5.777 6.312 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.679 7.047 8.345 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.443 7.990 7.157 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.355 7.311 8.419 1.00 2.26 H new ATOM 526 N ILE A 33 -14.555 2.087 3.259 1.00 0.67 N ATOM 527 CA ILE A 33 -13.358 1.352 3.656 1.00 0.66 C ATOM 528 C ILE A 33 -13.177 1.394 5.176 1.00 0.80 C ATOM 529 O ILE A 33 -13.372 0.388 5.856 1.00 1.71 O ATOM 530 CB ILE A 33 -12.094 1.915 2.960 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.192 1.738 1.444 1.00 0.79 C ATOM 532 CG2 ILE A 33 -10.841 1.228 3.481 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.337 2.495 0.814 1.00 0.91 C ATOM 0 H ILE A 33 -15.290 1.509 2.852 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.490 0.317 3.342 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.030 2.979 3.188 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.258 2.066 0.988 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.302 0.677 1.218 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -9.965 1.639 2.979 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.755 1.394 4.555 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -10.904 0.158 3.283 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.341 2.320 -0.262 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.279 2.151 1.241 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.219 3.561 1.008 1.00 0.91 H new ATOM 545 N THR A 34 -12.812 2.568 5.696 1.00 0.72 N ATOM 546 CA THR A 34 -12.608 2.772 7.137 1.00 0.73 C ATOM 547 C THR A 34 -11.226 2.299 7.602 1.00 0.59 C ATOM 548 O THR A 34 -10.813 2.599 8.724 1.00 0.76 O ATOM 549 CB THR A 34 -13.698 2.073 7.959 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.343 0.729 8.232 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.056 2.067 7.287 1.00 1.15 C ATOM 0 H THR A 34 -12.649 3.404 5.134 1.00 0.72 H new ATOM 0 HA THR A 34 -12.670 3.847 7.305 1.00 0.73 H new ATOM 0 HB THR A 34 -13.774 2.654 8.878 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.998 0.310 7.416 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.776 1.556 7.926 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.384 3.093 7.119 1.00 1.15 H new ATOM 0 HG23 THR A 34 -14.987 1.547 6.331 1.00 1.15 H new ATOM 559 N SER A 35 -10.514 1.565 6.751 1.00 0.49 N ATOM 560 CA SER A 35 -9.187 1.064 7.098 1.00 0.47 C ATOM 561 C SER A 35 -8.480 0.473 5.879 1.00 0.45 C ATOM 562 O SER A 35 -8.773 -0.650 5.469 1.00 0.72 O ATOM 563 CB SER A 35 -9.290 -0.002 8.192 1.00 0.64 C ATOM 564 OG SER A 35 -10.574 -0.001 8.793 1.00 1.58 O ATOM 0 H SER A 35 -10.833 1.304 5.818 1.00 0.49 H new ATOM 0 HA SER A 35 -8.602 1.908 7.464 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.086 -0.984 7.766 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.530 0.179 8.952 1.00 0.64 H new ATOM 0 HG SER A 35 -10.733 0.865 9.224 1.00 1.58 H new ATOM 570 N TYR A 36 -7.541 1.227 5.310 1.00 0.27 N ATOM 571 CA TYR A 36 -6.794 0.760 4.149 1.00 0.28 C ATOM 572 C TYR A 36 -5.681 -0.188 4.585 1.00 0.33 C ATOM 573 O TYR A 36 -5.126 -0.045 5.674 1.00 0.68 O ATOM 574 CB TYR A 36 -6.202 1.945 3.382 1.00 0.29 C ATOM 575 CG TYR A 36 -7.232 2.770 2.641 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.006 2.206 1.634 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.431 4.110 2.950 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.949 2.954 0.956 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.373 4.864 2.275 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.121 4.290 1.278 1.00 0.60 C ATOM 581 OH TYR A 36 -10.067 5.030 0.606 1.00 0.76 O ATOM 0 H TYR A 36 -7.282 2.159 5.634 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.478 0.224 3.491 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.670 2.589 4.082 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.467 1.573 2.669 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.868 1.166 1.377 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.841 4.569 3.729 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.548 2.500 0.180 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.520 5.903 2.532 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.067 5.949 0.947 1.00 0.76 H new ATOM 591 N ILE A 37 -5.363 -1.159 3.736 1.00 0.24 N ATOM 592 CA ILE A 37 -4.318 -2.130 4.051 1.00 0.26 C ATOM 593 C ILE A 37 -3.317 -2.248 2.910 1.00 0.33 C ATOM 594 O ILE A 37 -3.644 -2.755 1.844 1.00 0.70 O ATOM 595 CB ILE A 37 -4.893 -3.536 4.334 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.306 -3.460 4.928 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.965 -4.295 5.267 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.101 -4.734 4.749 1.00 1.14 C ATOM 0 H ILE A 37 -5.810 -1.296 2.829 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.824 -1.759 4.949 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.965 -4.069 3.386 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.233 -3.232 5.991 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.845 -2.635 4.461 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.376 -5.285 5.463 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.984 -4.395 4.803 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.868 -3.750 6.206 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.089 -4.611 5.192 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.204 -4.952 3.686 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.583 -5.558 5.240 1.00 1.14 H new ATOM 610 N VAL A 38 -2.096 -1.782 3.138 1.00 0.36 N ATOM 611 CA VAL A 38 -1.059 -1.845 2.114 1.00 0.42 C ATOM 612 C VAL A 38 -0.244 -3.129 2.226 1.00 0.35 C ATOM 613 O VAL A 38 0.671 -3.223 3.044 1.00 0.48 O ATOM 614 CB VAL A 38 -0.100 -0.645 2.201 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.824 -0.611 0.995 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.872 0.658 2.327 1.00 0.46 C ATOM 0 H VAL A 38 -1.800 -1.358 4.017 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.575 -1.823 1.154 1.00 0.42 H new ATOM 0 HB VAL A 38 0.511 -0.761 3.096 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.495 0.245 1.075 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.410 -1.529 0.960 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.231 -0.524 0.085 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.172 1.491 2.387 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.515 0.786 1.456 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.484 0.633 3.229 1.00 0.46 H new ATOM 626 N GLU A 39 -0.573 -4.113 1.395 1.00 0.30 N ATOM 627 CA GLU A 39 0.142 -5.381 1.402 1.00 0.33 C ATOM 628 C GLU A 39 1.499 -5.218 0.724 1.00 0.32 C ATOM 629 O GLU A 39 1.585 -4.704 -0.391 1.00 0.43 O ATOM 630 CB GLU A 39 -0.676 -6.460 0.692 1.00 0.42 C ATOM 631 CG GLU A 39 -2.003 -6.762 1.368 1.00 0.51 C ATOM 632 CD GLU A 39 -2.099 -8.199 1.841 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.143 -9.105 0.982 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.128 -8.419 3.070 1.00 1.67 O ATOM 0 H GLU A 39 -1.328 -4.056 0.711 1.00 0.30 H new ATOM 0 HA GLU A 39 0.297 -5.689 2.436 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.864 -6.145 -0.334 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -0.087 -7.376 0.641 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.134 -6.093 2.219 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.817 -6.557 0.672 1.00 0.51 H new ATOM 641 N LYS A 40 2.557 -5.646 1.404 1.00 0.28 N ATOM 642 CA LYS A 40 3.907 -5.529 0.858 1.00 0.31 C ATOM 643 C LYS A 40 4.487 -6.878 0.462 1.00 0.29 C ATOM 644 O LYS A 40 4.473 -7.828 1.245 1.00 0.35 O ATOM 645 CB LYS A 40 4.848 -4.874 1.873 1.00 0.43 C ATOM 646 CG LYS A 40 4.696 -5.418 3.285 1.00 0.92 C ATOM 647 CD LYS A 40 6.044 -5.789 3.885 1.00 1.14 C ATOM 648 CE LYS A 40 6.092 -7.256 4.282 1.00 1.65 C ATOM 649 NZ LYS A 40 6.695 -7.452 5.630 1.00 1.97 N ATOM 0 H LYS A 40 2.509 -6.075 2.328 1.00 0.28 H new ATOM 0 HA LYS A 40 3.824 -4.909 -0.035 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.878 -5.018 1.546 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.665 -3.800 1.885 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.209 -4.672 3.913 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.049 -6.295 3.271 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.834 -5.580 3.164 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.238 -5.168 4.759 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.082 -7.667 4.274 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.668 -7.812 3.543 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.708 -8.466 5.860 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.668 -7.084 5.632 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.131 -6.943 6.340 1.00 1.97 H new ATOM 663 N ARG A 41 5.029 -6.940 -0.747 1.00 0.36 N ATOM 664 CA ARG A 41 5.657 -8.153 -1.235 1.00 0.40 C ATOM 665 C ARG A 41 7.171 -7.936 -1.215 1.00 0.41 C ATOM 666 O ARG A 41 7.707 -7.116 -1.974 1.00 0.43 O ATOM 667 CB ARG A 41 5.129 -8.527 -2.645 1.00 0.46 C ATOM 668 CG ARG A 41 6.107 -9.309 -3.528 1.00 0.58 C ATOM 669 CD ARG A 41 5.545 -10.650 -4.020 1.00 0.88 C ATOM 670 NE ARG A 41 4.566 -10.560 -5.104 1.00 0.95 N ATOM 671 CZ ARG A 41 4.761 -9.970 -6.289 1.00 1.13 C ATOM 672 NH1 ARG A 41 5.923 -9.381 -6.545 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.815 -9.941 -7.215 1.00 1.44 N ATOM 0 H ARG A 41 5.045 -6.162 -1.406 1.00 0.36 H new ATOM 0 HA ARG A 41 5.409 -8.998 -0.593 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.220 -9.117 -2.529 1.00 0.46 H new ATOM 0 HB3 ARG A 41 4.850 -7.610 -3.165 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.375 -8.698 -4.390 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.024 -9.491 -2.968 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.375 -11.272 -4.354 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.082 -11.162 -3.177 1.00 0.88 H new ATOM 0 HE ARG A 41 3.653 -10.985 -4.942 1.00 0.95 H new ATOM 0 HH11 ARG A 41 6.660 -9.380 -5.840 1.00 1.44 H new ATOM 0 HH12 ARG A 41 6.078 -8.929 -7.446 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.910 -10.375 -7.034 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.991 -9.484 -8.110 1.00 1.44 H new ATOM 687 N ASP A 42 7.839 -8.664 -0.318 1.00 0.50 N ATOM 688 CA ASP A 42 9.287 -8.566 -0.150 1.00 0.57 C ATOM 689 C ASP A 42 10.019 -9.259 -1.291 1.00 0.62 C ATOM 690 O ASP A 42 10.463 -10.399 -1.158 1.00 0.91 O ATOM 691 CB ASP A 42 9.719 -9.185 1.185 1.00 0.71 C ATOM 692 CG ASP A 42 8.688 -8.998 2.283 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.562 -9.516 2.133 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.009 -8.335 3.292 1.00 1.59 O ATOM 0 H ASP A 42 7.393 -9.334 0.308 1.00 0.50 H new ATOM 0 HA ASP A 42 9.548 -7.508 -0.157 1.00 0.57 H new ATOM 0 HB2 ASP A 42 9.903 -10.250 1.043 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.662 -8.738 1.499 1.00 0.71 H new ATOM 699 N LEU A 43 10.145 -8.558 -2.404 1.00 0.63 N ATOM 700 CA LEU A 43 10.826 -9.093 -3.574 1.00 0.68 C ATOM 701 C LEU A 43 12.226 -9.586 -3.206 1.00 0.81 C ATOM 702 O LEU A 43 12.806 -9.135 -2.217 1.00 0.90 O ATOM 703 CB LEU A 43 10.901 -8.010 -4.641 1.00 0.62 C ATOM 704 CG LEU A 43 9.581 -7.277 -4.876 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.762 -5.779 -4.719 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.030 -7.612 -6.245 1.00 0.70 C ATOM 0 H LEU A 43 9.783 -7.612 -2.524 1.00 0.63 H new ATOM 0 HA LEU A 43 10.267 -9.945 -3.961 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.662 -7.284 -4.354 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.227 -8.460 -5.579 1.00 0.62 H new ATOM 0 HG LEU A 43 8.863 -7.609 -4.126 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.810 -5.277 -4.891 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.112 -5.558 -3.710 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.495 -5.423 -5.443 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.090 -7.083 -6.398 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.746 -7.309 -7.009 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.857 -8.686 -6.315 1.00 0.70 H new ATOM 718 N PRO A 44 12.794 -10.526 -3.988 1.00 0.92 N ATOM 719 CA PRO A 44 12.154 -11.102 -5.176 1.00 0.99 C ATOM 720 C PRO A 44 11.119 -12.174 -4.837 1.00 1.15 C ATOM 721 O PRO A 44 10.522 -12.770 -5.734 1.00 1.43 O ATOM 722 CB PRO A 44 13.324 -11.727 -5.957 1.00 1.15 C ATOM 723 CG PRO A 44 14.564 -11.415 -5.176 1.00 1.25 C ATOM 724 CD PRO A 44 14.121 -11.103 -3.776 1.00 1.08 C ATOM 0 HA PRO A 44 11.603 -10.343 -5.732 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.191 -12.804 -6.062 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.384 -11.314 -6.964 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.251 -12.261 -5.186 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.094 -10.569 -5.612 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.081 -11.997 -3.154 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.795 -10.402 -3.283 1.00 1.08 H new ATOM 732 N ASN A 45 10.906 -12.422 -3.546 1.00 1.14 N ATOM 733 CA ASN A 45 9.938 -13.426 -3.116 1.00 1.33 C ATOM 734 C ASN A 45 8.666 -12.766 -2.593 1.00 1.43 C ATOM 735 O ASN A 45 7.640 -12.750 -3.273 1.00 2.42 O ATOM 736 CB ASN A 45 10.547 -14.330 -2.040 1.00 1.66 C ATOM 737 CG ASN A 45 11.813 -15.019 -2.512 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.914 -14.275 -2.542 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 11.803 -16.204 -2.844 1.00 1.89 N flip ATOM 0 H ASN A 45 11.388 -11.944 -2.785 1.00 1.14 H new ATOM 0 HA ASN A 45 9.677 -14.037 -3.980 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.769 -13.736 -1.153 1.00 1.66 H new ATOM 0 HB3 ASN A 45 9.816 -15.082 -1.745 1.00 1.66 H new ATOM 0 HD21 ASN A 45 10.934 -16.737 -2.805 1.00 1.89 H new ATOM 0 HD22 ASN A 45 12.663 -16.653 -3.158 1.00 1.89 H new ATOM 746 N GLY A 46 8.739 -12.220 -1.384 1.00 0.90 N ATOM 747 CA GLY A 46 7.588 -11.560 -0.795 1.00 1.12 C ATOM 748 C GLY A 46 6.333 -12.404 -0.847 1.00 0.76 C ATOM 749 O GLY A 46 6.348 -13.526 -1.353 1.00 0.96 O ATOM 0 H GLY A 46 9.576 -12.223 -0.801 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.810 -11.312 0.243 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.409 -10.620 -1.316 1.00 1.12 H new ATOM 753 N ARG A 47 5.242 -11.857 -0.322 1.00 0.80 N ATOM 754 CA ARG A 47 3.967 -12.560 -0.308 1.00 0.76 C ATOM 755 C ARG A 47 2.835 -11.626 0.108 1.00 0.85 C ATOM 756 O ARG A 47 1.864 -12.048 0.736 1.00 1.71 O ATOM 757 CB ARG A 47 4.031 -13.766 0.631 1.00 0.99 C ATOM 758 CG ARG A 47 4.873 -13.530 1.874 1.00 1.31 C ATOM 759 CD ARG A 47 4.108 -12.744 2.925 1.00 1.11 C ATOM 760 NE ARG A 47 4.445 -13.177 4.278 1.00 1.41 N ATOM 761 CZ ARG A 47 4.172 -14.388 4.752 1.00 1.71 C ATOM 762 NH1 ARG A 47 3.559 -15.280 3.986 1.00 2.41 N ATOM 763 NH2 ARG A 47 4.511 -14.708 5.993 1.00 2.03 N ATOM 0 H ARG A 47 5.216 -10.928 0.099 1.00 0.80 H new ATOM 0 HA ARG A 47 3.765 -12.914 -1.319 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.019 -14.033 0.934 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.436 -14.619 0.086 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.185 -14.488 2.290 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.780 -12.990 1.603 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.330 -11.682 2.817 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.037 -12.864 2.761 1.00 1.11 H new ATOM 0 HE ARG A 47 4.916 -12.513 4.893 1.00 1.41 H new ATOM 0 HH11 ARG A 47 3.296 -15.037 3.031 1.00 2.41 H new ATOM 0 HH12 ARG A 47 3.350 -16.209 4.352 1.00 2.41 H new ATOM 0 HH21 ARG A 47 4.982 -14.024 6.585 1.00 2.03 H new ATOM 0 HH22 ARG A 47 4.301 -15.638 6.355 1.00 2.03 H new ATOM 777 N TRP A 48 2.971 -10.355 -0.260 1.00 0.50 N ATOM 778 CA TRP A 48 1.973 -9.335 0.050 1.00 0.43 C ATOM 779 C TRP A 48 1.407 -9.491 1.460 1.00 0.45 C ATOM 780 O TRP A 48 0.495 -10.286 1.690 1.00 0.65 O ATOM 781 CB TRP A 48 0.849 -9.397 -0.977 1.00 0.47 C ATOM 782 CG TRP A 48 1.360 -9.325 -2.375 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.311 -10.307 -3.315 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.013 -8.212 -2.989 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.890 -9.868 -4.477 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.329 -8.589 -4.302 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.358 -6.932 -2.555 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.976 -7.732 -5.189 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.999 -6.084 -3.434 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.301 -6.487 -4.739 1.00 0.38 C ATOM 0 H TRP A 48 3.775 -10.003 -0.781 1.00 0.50 H new ATOM 0 HA TRP A 48 2.464 -8.363 0.007 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.288 -10.322 -0.844 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.154 -8.575 -0.803 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.880 -11.286 -3.168 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.978 -10.411 -5.336 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.128 -6.611 -1.550 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.212 -8.042 -6.196 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.273 -5.091 -3.109 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.802 -5.798 -5.403 1.00 0.38 H new ATOM 801 N LEU A 49 1.947 -8.722 2.401 1.00 0.38 N ATOM 802 CA LEU A 49 1.488 -8.774 3.784 1.00 0.42 C ATOM 803 C LEU A 49 1.280 -7.369 4.335 1.00 0.36 C ATOM 804 O LEU A 49 2.160 -6.519 4.236 1.00 0.39 O ATOM 805 CB LEU A 49 2.487 -9.540 4.651 1.00 0.52 C ATOM 806 CG LEU A 49 1.956 -10.852 5.231 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.902 -10.574 6.292 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.386 -11.727 4.124 1.00 0.84 C ATOM 0 H LEU A 49 2.701 -8.057 2.231 1.00 0.38 H new ATOM 0 HA LEU A 49 0.533 -9.299 3.807 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.374 -9.755 4.055 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.802 -8.897 5.472 1.00 0.52 H new ATOM 0 HG LEU A 49 2.782 -11.386 5.700 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.534 -11.517 6.695 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.342 -9.983 7.095 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.074 -10.022 5.847 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.012 -12.657 4.552 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.570 -11.201 3.629 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.168 -11.950 3.398 1.00 0.84 H new ATOM 820 N LYS A 50 0.107 -7.133 4.913 1.00 0.40 N ATOM 821 CA LYS A 50 -0.223 -5.828 5.477 1.00 0.40 C ATOM 822 C LYS A 50 0.798 -5.398 6.526 1.00 0.47 C ATOM 823 O LYS A 50 0.581 -5.576 7.724 1.00 0.85 O ATOM 824 CB LYS A 50 -1.622 -5.858 6.100 1.00 0.59 C ATOM 825 CG LYS A 50 -1.759 -6.841 7.250 1.00 0.72 C ATOM 826 CD LYS A 50 -3.135 -7.490 7.272 1.00 1.03 C ATOM 827 CE LYS A 50 -4.208 -6.517 7.734 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.383 -6.543 9.213 1.00 1.30 N ATOM 0 H LYS A 50 -0.633 -7.829 5.004 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.202 -5.102 4.664 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.873 -4.859 6.456 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.348 -6.113 5.328 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.994 -7.612 7.163 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.585 -6.324 8.194 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.381 -7.856 6.275 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.119 -8.355 7.935 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.943 -5.508 7.418 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -5.154 -6.764 7.252 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.123 -5.866 9.487 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.660 -7.499 9.513 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.488 -6.282 9.673 1.00 1.30 H new ATOM 842 N ALA A 51 1.909 -4.823 6.071 1.00 0.45 N ATOM 843 CA ALA A 51 2.951 -4.362 6.978 1.00 0.63 C ATOM 844 C ALA A 51 2.449 -3.193 7.803 1.00 0.55 C ATOM 845 O ALA A 51 2.750 -3.083 8.991 1.00 0.72 O ATOM 846 CB ALA A 51 4.198 -3.961 6.210 1.00 0.86 C ATOM 0 H ALA A 51 2.108 -4.667 5.083 1.00 0.45 H new ATOM 0 HA ALA A 51 3.209 -5.184 7.646 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.962 -3.620 6.909 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.573 -4.819 5.652 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.955 -3.156 5.517 1.00 0.86 H new ATOM 852 N ASN A 52 1.676 -2.319 7.152 1.00 0.42 N ATOM 853 CA ASN A 52 1.108 -1.135 7.807 1.00 0.43 C ATOM 854 C ASN A 52 0.699 -1.429 9.252 1.00 0.59 C ATOM 855 O ASN A 52 0.980 -0.647 10.159 1.00 1.60 O ATOM 856 CB ASN A 52 -0.102 -0.628 7.020 1.00 0.38 C ATOM 857 CG ASN A 52 -1.226 -1.644 6.974 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.085 -2.717 6.388 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.351 -1.310 7.597 1.00 0.62 N ATOM 0 H ASN A 52 1.428 -2.409 6.167 1.00 0.42 H new ATOM 0 HA ASN A 52 1.881 -0.366 7.826 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.467 0.294 7.473 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.205 -0.383 6.003 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.142 -1.954 7.602 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.424 -0.409 8.070 1.00 0.62 H new ATOM 866 N PHE A 53 0.044 -2.570 9.455 1.00 0.81 N ATOM 867 CA PHE A 53 -0.396 -2.987 10.787 1.00 0.82 C ATOM 868 C PHE A 53 -0.982 -1.819 11.583 1.00 0.84 C ATOM 869 O PHE A 53 -0.691 -1.661 12.769 1.00 1.20 O ATOM 870 CB PHE A 53 0.785 -3.593 11.552 1.00 0.96 C ATOM 871 CG PHE A 53 0.541 -4.994 12.041 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.097 -5.923 11.235 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.953 -5.378 13.306 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.320 -7.211 11.685 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.733 -6.666 13.760 1.00 2.08 C ATOM 876 CZ PHE A 53 0.096 -7.583 12.948 1.00 1.96 C ATOM 0 H PHE A 53 -0.195 -3.226 8.711 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.182 -3.732 10.662 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.663 -3.592 10.906 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.017 -2.956 12.406 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.423 -5.638 10.246 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.451 -4.664 13.945 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.820 -7.926 11.049 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.059 -6.954 14.748 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.077 -8.589 13.300 1.00 1.96 H new ATOM 886 N SER A 54 -1.806 -1.003 10.932 1.00 0.79 N ATOM 887 CA SER A 54 -2.418 0.142 11.598 1.00 0.89 C ATOM 888 C SER A 54 -3.752 0.519 10.957 1.00 0.95 C ATOM 889 O SER A 54 -4.234 -0.160 10.052 1.00 1.89 O ATOM 890 CB SER A 54 -1.470 1.342 11.563 1.00 1.00 C ATOM 891 OG SER A 54 -0.133 0.943 11.806 1.00 1.71 O ATOM 0 H SER A 54 -2.064 -1.112 9.951 1.00 0.79 H new ATOM 0 HA SER A 54 -2.609 -0.142 12.633 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.535 1.833 10.592 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.776 2.073 12.311 1.00 1.00 H new ATOM 0 HG SER A 54 0.281 0.657 10.965 1.00 1.71 H new ATOM 897 N ASN A 55 -4.340 1.612 11.438 1.00 0.75 N ATOM 898 CA ASN A 55 -5.618 2.093 10.919 1.00 0.69 C ATOM 899 C ASN A 55 -5.398 3.177 9.868 1.00 0.66 C ATOM 900 O ASN A 55 -5.349 4.364 10.189 1.00 1.05 O ATOM 901 CB ASN A 55 -6.481 2.640 12.061 1.00 0.84 C ATOM 902 CG ASN A 55 -7.747 3.323 11.574 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.980 4.498 11.857 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.572 2.588 10.837 1.00 0.83 N ATOM 0 H ASN A 55 -3.950 2.183 12.188 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.135 1.255 10.452 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.750 1.822 12.729 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.894 3.349 12.645 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.438 2.994 10.482 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.340 1.617 10.626 1.00 0.83 H new ATOM 911 N ILE A 56 -5.266 2.761 8.614 1.00 0.40 N ATOM 912 CA ILE A 56 -5.050 3.699 7.519 1.00 0.33 C ATOM 913 C ILE A 56 -6.371 4.249 6.994 1.00 0.31 C ATOM 914 O ILE A 56 -6.843 3.851 5.928 1.00 0.53 O ATOM 915 CB ILE A 56 -4.281 3.034 6.361 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.970 2.434 6.872 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.014 4.042 5.253 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.081 1.892 5.775 1.00 0.69 C ATOM 0 H ILE A 56 -5.305 1.782 8.330 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.456 4.522 7.916 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.892 2.230 5.952 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.424 3.197 7.427 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.197 1.631 7.573 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.470 3.556 4.443 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.961 4.427 4.875 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.419 4.866 5.647 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.171 1.483 6.213 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.608 1.106 5.234 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.823 2.696 5.086 1.00 0.69 H new ATOM 930 N LEU A 57 -6.965 5.167 7.751 1.00 0.44 N ATOM 931 CA LEU A 57 -8.234 5.775 7.368 1.00 0.45 C ATOM 932 C LEU A 57 -8.131 6.458 6.006 1.00 0.42 C ATOM 933 O LEU A 57 -8.820 6.077 5.059 1.00 0.60 O ATOM 934 CB LEU A 57 -8.680 6.785 8.428 1.00 0.48 C ATOM 935 CG LEU A 57 -9.832 6.318 9.319 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.219 7.409 10.307 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.029 5.912 8.472 1.00 0.72 C ATOM 0 H LEU A 57 -6.586 5.506 8.635 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.977 4.981 7.295 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.826 7.027 9.061 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.977 7.707 7.928 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.500 5.447 9.884 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.040 7.059 10.932 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.362 7.651 10.935 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.532 8.299 9.762 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.840 5.582 9.122 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.362 6.765 7.880 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.744 5.098 7.806 1.00 0.72 H new ATOM 949 N GLU A 58 -7.267 7.466 5.910 1.00 0.39 N ATOM 950 CA GLU A 58 -7.078 8.192 4.665 1.00 0.43 C ATOM 951 C GLU A 58 -6.266 7.358 3.687 1.00 0.51 C ATOM 952 O GLU A 58 -5.614 6.390 4.075 1.00 1.09 O ATOM 953 CB GLU A 58 -6.379 9.527 4.931 1.00 0.44 C ATOM 954 CG GLU A 58 -4.969 9.377 5.480 1.00 0.44 C ATOM 955 CD GLU A 58 -4.800 10.030 6.838 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.530 11.002 7.125 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.938 9.570 7.615 1.00 1.54 O ATOM 0 H GLU A 58 -6.688 7.796 6.682 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.055 8.391 4.226 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.340 10.098 4.004 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.975 10.105 5.637 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.724 8.318 5.557 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.261 9.818 4.778 1.00 0.44 H new ATOM 964 N ASN A 59 -6.310 7.734 2.419 1.00 0.31 N ATOM 965 CA ASN A 59 -5.572 7.008 1.394 1.00 0.28 C ATOM 966 C ASN A 59 -4.096 7.411 1.368 1.00 0.28 C ATOM 967 O ASN A 59 -3.331 6.924 0.536 1.00 0.49 O ATOM 968 CB ASN A 59 -6.204 7.224 0.019 1.00 0.32 C ATOM 969 CG ASN A 59 -6.449 8.689 -0.282 1.00 0.86 C ATOM 970 OD1 ASN A 59 -6.144 9.560 0.531 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.009 8.967 -1.453 1.00 0.91 N ATOM 0 H ASN A 59 -6.844 8.532 2.075 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.624 5.948 1.644 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.553 6.803 -0.747 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.149 6.683 -0.032 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.203 9.935 -1.709 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.246 8.212 -2.097 1.00 0.91 H new ATOM 978 N GLU A 60 -3.694 8.291 2.286 1.00 0.29 N ATOM 979 CA GLU A 60 -2.305 8.733 2.361 1.00 0.29 C ATOM 980 C GLU A 60 -1.604 8.016 3.499 1.00 0.27 C ATOM 981 O GLU A 60 -1.782 8.364 4.667 1.00 0.35 O ATOM 982 CB GLU A 60 -2.226 10.246 2.570 1.00 0.34 C ATOM 983 CG GLU A 60 -0.816 10.759 2.812 1.00 0.49 C ATOM 984 CD GLU A 60 -0.708 12.262 2.635 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.806 12.731 1.481 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.526 12.969 3.648 1.00 1.91 O ATOM 0 H GLU A 60 -4.309 8.709 2.984 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.812 8.492 1.419 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.639 10.746 1.694 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.853 10.519 3.419 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.503 10.492 3.821 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.130 10.265 2.124 1.00 0.49 H new ATOM 993 N PHE A 61 -0.821 7.002 3.159 1.00 0.24 N ATOM 994 CA PHE A 61 -0.115 6.233 4.169 1.00 0.24 C ATOM 995 C PHE A 61 1.334 5.981 3.768 1.00 0.24 C ATOM 996 O PHE A 61 1.709 6.136 2.606 1.00 0.25 O ATOM 997 CB PHE A 61 -0.833 4.899 4.401 1.00 0.28 C ATOM 998 CG PHE A 61 -0.067 3.955 5.277 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.141 4.048 6.656 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.737 2.980 4.715 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.574 3.183 7.460 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.453 2.114 5.511 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.372 2.212 6.885 1.00 0.48 C ATOM 0 H PHE A 61 -0.660 6.696 2.199 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.110 6.812 5.092 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.806 5.092 4.852 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.017 4.422 3.438 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.765 4.805 7.108 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.804 2.897 3.640 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.510 3.265 8.535 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.078 1.358 5.060 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.931 1.531 7.510 1.00 0.48 H new ATOM 1013 N THR A 62 2.134 5.579 4.747 1.00 0.25 N ATOM 1014 CA THR A 62 3.535 5.285 4.521 1.00 0.27 C ATOM 1015 C THR A 62 3.859 3.874 4.978 1.00 0.29 C ATOM 1016 O THR A 62 3.630 3.517 6.133 1.00 0.35 O ATOM 1017 CB THR A 62 4.422 6.293 5.253 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.160 7.609 4.801 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.902 6.031 5.076 1.00 0.37 C ATOM 0 H THR A 62 1.829 5.450 5.712 1.00 0.25 H new ATOM 0 HA THR A 62 3.733 5.362 3.452 1.00 0.27 H new ATOM 0 HB THR A 62 4.176 6.181 6.309 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.974 7.989 4.409 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.472 6.783 5.621 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.145 5.041 5.462 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.156 6.080 4.017 1.00 0.37 H new ATOM 1027 N VAL A 63 4.391 3.073 4.064 1.00 0.31 N ATOM 1028 CA VAL A 63 4.743 1.702 4.379 1.00 0.36 C ATOM 1029 C VAL A 63 6.075 1.649 5.109 1.00 0.38 C ATOM 1030 O VAL A 63 7.140 1.638 4.490 1.00 0.50 O ATOM 1031 CB VAL A 63 4.801 0.838 3.111 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.839 -0.639 3.469 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.607 1.148 2.224 1.00 0.58 C ATOM 0 H VAL A 63 4.586 3.351 3.102 1.00 0.31 H new ATOM 0 HA VAL A 63 3.967 1.300 5.030 1.00 0.36 H new ATOM 0 HB VAL A 63 5.715 1.072 2.565 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.880 -1.234 2.556 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.721 -0.844 4.075 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.943 -0.900 4.032 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.652 0.533 1.325 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.686 0.933 2.765 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.625 2.201 1.944 1.00 0.58 H new ATOM 1043 N SER A 64 6.000 1.629 6.432 1.00 0.49 N ATOM 1044 CA SER A 64 7.194 1.588 7.265 1.00 0.55 C ATOM 1045 C SER A 64 7.653 0.153 7.482 1.00 0.63 C ATOM 1046 O SER A 64 7.144 -0.772 6.851 1.00 0.99 O ATOM 1047 CB SER A 64 6.925 2.265 8.610 1.00 0.63 C ATOM 1048 OG SER A 64 6.015 1.511 9.391 1.00 1.33 O ATOM 0 H SER A 64 5.123 1.641 6.953 1.00 0.49 H new ATOM 0 HA SER A 64 7.988 2.128 6.750 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.862 2.385 9.154 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.523 3.264 8.443 1.00 0.63 H new ATOM 0 HG SER A 64 5.862 1.966 10.246 1.00 1.33 H new ATOM 1054 N GLY A 65 8.623 -0.028 8.371 1.00 0.71 N ATOM 1055 CA GLY A 65 9.132 -1.359 8.643 1.00 0.78 C ATOM 1056 C GLY A 65 9.863 -1.957 7.453 1.00 0.72 C ATOM 1057 O GLY A 65 10.198 -3.140 7.459 1.00 0.90 O ATOM 0 H GLY A 65 9.064 0.720 8.906 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.808 -1.318 9.497 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.304 -2.011 8.922 1.00 0.78 H new ATOM 1061 N LEU A 66 10.114 -1.141 6.429 1.00 0.64 N ATOM 1062 CA LEU A 66 10.810 -1.609 5.239 1.00 0.65 C ATOM 1063 C LEU A 66 12.207 -2.104 5.600 1.00 0.59 C ATOM 1064 O LEU A 66 12.600 -2.083 6.767 1.00 0.65 O ATOM 1065 CB LEU A 66 10.905 -0.485 4.200 1.00 0.74 C ATOM 1066 CG LEU A 66 9.581 -0.093 3.533 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.618 1.362 3.082 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.283 -1.009 2.358 1.00 1.47 C ATOM 0 H LEU A 66 9.845 -0.157 6.403 1.00 0.64 H new ATOM 0 HA LEU A 66 10.243 -2.437 4.812 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.325 0.398 4.682 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.607 -0.789 3.424 1.00 0.74 H new ATOM 0 HG LEU A 66 8.782 -0.204 4.266 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.670 1.621 2.611 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.783 2.007 3.946 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.428 1.501 2.366 1.00 0.89 H new ATOM 0 HD21 LEU A 66 8.340 -0.715 1.898 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.085 -0.931 1.624 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.210 -2.039 2.709 1.00 1.47 H new ATOM 1080 N THR A 67 12.954 -2.547 4.598 1.00 0.65 N ATOM 1081 CA THR A 67 14.306 -3.043 4.819 1.00 0.69 C ATOM 1082 C THR A 67 15.255 -2.525 3.745 1.00 0.72 C ATOM 1083 O THR A 67 14.986 -2.649 2.550 1.00 1.06 O ATOM 1084 CB THR A 67 14.317 -4.572 4.842 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.178 -5.070 5.521 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.543 -5.150 5.517 1.00 0.99 C ATOM 0 H THR A 67 12.648 -2.573 3.625 1.00 0.65 H new ATOM 0 HA THR A 67 14.649 -2.676 5.786 1.00 0.69 H new ATOM 0 HB THR A 67 14.319 -4.878 3.796 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.600 -5.544 4.887 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.489 -6.239 5.500 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.438 -4.823 4.988 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.586 -4.805 6.550 1.00 0.99 H new ATOM 1094 N GLU A 68 16.363 -1.939 4.181 1.00 0.66 N ATOM 1095 CA GLU A 68 17.356 -1.396 3.263 1.00 0.67 C ATOM 1096 C GLU A 68 17.899 -2.481 2.334 1.00 0.60 C ATOM 1097 O GLU A 68 17.867 -3.667 2.662 1.00 0.69 O ATOM 1098 CB GLU A 68 18.505 -0.757 4.050 1.00 0.76 C ATOM 1099 CG GLU A 68 19.002 0.553 3.461 1.00 0.96 C ATOM 1100 CD GLU A 68 20.428 0.457 2.957 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.731 -0.498 2.213 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.244 1.335 3.308 1.00 1.91 O ATOM 0 H GLU A 68 16.597 -1.827 5.168 1.00 0.66 H new ATOM 0 HA GLU A 68 16.872 -0.635 2.651 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.177 -0.582 5.075 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.336 -1.461 4.097 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.349 0.850 2.640 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.939 1.335 4.218 1.00 0.96 H new ATOM 1109 N ASP A 69 18.394 -2.063 1.172 1.00 0.52 N ATOM 1110 CA ASP A 69 18.944 -2.989 0.188 1.00 0.49 C ATOM 1111 C ASP A 69 17.944 -4.093 -0.141 1.00 0.44 C ATOM 1112 O ASP A 69 18.298 -5.270 -0.183 1.00 0.54 O ATOM 1113 CB ASP A 69 20.246 -3.606 0.703 1.00 0.59 C ATOM 1114 CG ASP A 69 21.183 -4.001 -0.421 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.929 -5.038 -1.070 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.172 -3.275 -0.653 1.00 1.66 O ATOM 0 H ASP A 69 18.425 -1.084 0.889 1.00 0.52 H new ATOM 0 HA ASP A 69 19.152 -2.426 -0.722 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.748 -2.894 1.358 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.015 -4.485 1.305 1.00 0.59 H new ATOM 1121 N ALA A 70 16.691 -3.707 -0.373 1.00 0.40 N ATOM 1122 CA ALA A 70 15.649 -4.671 -0.695 1.00 0.40 C ATOM 1123 C ALA A 70 14.471 -4.003 -1.391 1.00 0.35 C ATOM 1124 O ALA A 70 13.816 -3.130 -0.822 1.00 0.36 O ATOM 1125 CB ALA A 70 15.177 -5.377 0.566 1.00 0.49 C ATOM 0 H ALA A 70 16.377 -2.737 -0.344 1.00 0.40 H new ATOM 0 HA ALA A 70 16.074 -5.405 -1.380 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.398 -6.095 0.311 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.016 -5.900 1.026 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.779 -4.643 1.267 1.00 0.49 H new ATOM 1131 N ALA A 71 14.198 -4.425 -2.620 1.00 0.33 N ATOM 1132 CA ALA A 71 13.087 -3.870 -3.381 1.00 0.30 C ATOM 1133 C ALA A 71 11.767 -4.321 -2.782 1.00 0.27 C ATOM 1134 O ALA A 71 11.588 -5.495 -2.458 1.00 0.36 O ATOM 1135 CB ALA A 71 13.192 -4.274 -4.844 1.00 0.34 C ATOM 0 H ALA A 71 14.728 -5.146 -3.108 1.00 0.33 H new ATOM 0 HA ALA A 71 13.130 -2.782 -3.330 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.355 -3.851 -5.399 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.128 -3.900 -5.259 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.169 -5.361 -4.924 1.00 0.34 H new ATOM 1141 N TYR A 72 10.848 -3.380 -2.615 1.00 0.24 N ATOM 1142 CA TYR A 72 9.553 -3.688 -2.025 1.00 0.24 C ATOM 1143 C TYR A 72 8.391 -3.161 -2.856 1.00 0.21 C ATOM 1144 O TYR A 72 8.320 -1.969 -3.152 1.00 0.23 O ATOM 1145 CB TYR A 72 9.462 -3.066 -0.632 1.00 0.30 C ATOM 1146 CG TYR A 72 10.222 -3.807 0.438 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.656 -4.913 1.051 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.494 -3.401 0.845 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.323 -5.604 2.036 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.171 -4.091 1.835 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.580 -5.191 2.427 1.00 0.46 C ATOM 1152 OH TYR A 72 12.252 -5.880 3.413 1.00 0.56 O ATOM 0 H TYR A 72 10.974 -2.403 -2.878 1.00 0.24 H new ATOM 0 HA TYR A 72 9.478 -4.774 -1.981 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.834 -2.043 -0.681 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.413 -3.010 -0.341 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.672 -5.239 0.750 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.954 -2.540 0.383 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.865 -6.465 2.501 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.156 -3.772 2.143 1.00 0.42 H new ATOM 0 HH TYR A 72 13.011 -6.358 3.019 1.00 0.56 H new ATOM 1162 N GLU A 73 7.459 -4.047 -3.193 1.00 0.21 N ATOM 1163 CA GLU A 73 6.278 -3.644 -3.947 1.00 0.21 C ATOM 1164 C GLU A 73 5.107 -3.558 -2.982 1.00 0.23 C ATOM 1165 O GLU A 73 5.025 -4.360 -2.053 1.00 0.32 O ATOM 1166 CB GLU A 73 5.968 -4.636 -5.069 1.00 0.25 C ATOM 1167 CG GLU A 73 7.046 -4.704 -6.135 1.00 0.65 C ATOM 1168 CD GLU A 73 6.499 -4.490 -7.533 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.979 -5.462 -8.121 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.587 -3.351 -8.039 1.00 1.50 O ATOM 0 H GLU A 73 7.498 -5.039 -2.959 1.00 0.21 H new ATOM 0 HA GLU A 73 6.460 -2.676 -4.414 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.832 -5.628 -4.638 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.023 -4.359 -5.537 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.805 -3.950 -5.927 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.539 -5.675 -6.087 1.00 0.65 H new ATOM 1177 N PHE A 74 4.204 -2.596 -3.161 1.00 0.22 N ATOM 1178 CA PHE A 74 3.080 -2.499 -2.207 1.00 0.28 C ATOM 1179 C PHE A 74 1.711 -2.248 -2.839 1.00 0.25 C ATOM 1180 O PHE A 74 1.457 -1.183 -3.399 1.00 0.30 O ATOM 1181 CB PHE A 74 3.325 -1.407 -1.150 1.00 0.39 C ATOM 1182 CG PHE A 74 4.701 -0.814 -1.148 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.733 -1.401 -0.437 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.950 0.339 -1.856 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.995 -0.837 -0.439 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.200 0.908 -1.865 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.230 0.320 -1.155 1.00 0.53 C ATOM 0 H PHE A 74 4.214 -1.904 -3.910 1.00 0.22 H new ATOM 0 HA PHE A 74 3.050 -3.488 -1.751 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.602 -0.606 -1.305 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.127 -1.828 -0.164 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.551 -2.306 0.123 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.150 0.804 -2.413 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.796 -1.300 0.118 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.378 1.814 -2.426 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.215 0.764 -1.160 1.00 0.53 H new ATOM 1197 N ARG A 75 0.812 -3.219 -2.682 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.560 -3.091 -3.171 1.00 0.34 C ATOM 1199 C ARG A 75 -1.424 -2.700 -1.985 1.00 0.31 C ATOM 1200 O ARG A 75 -0.953 -2.745 -0.850 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.083 -4.400 -3.784 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.338 -5.648 -3.334 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.987 -6.914 -3.875 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.346 -7.397 -5.104 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.981 -8.076 -6.060 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.271 -8.364 -5.944 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.319 -8.473 -7.139 1.00 1.87 N ATOM 0 H ARG A 75 1.010 -4.106 -2.218 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.592 -2.340 -3.960 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.137 -4.510 -3.530 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.023 -4.328 -4.870 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.697 -5.596 -3.672 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.316 -5.687 -2.245 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.941 -7.694 -3.115 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.042 -6.722 -4.071 1.00 1.08 H new ATOM 0 HE ARG A 75 0.646 -7.201 -5.235 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.788 -8.065 -5.117 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.746 -8.884 -6.682 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.674 -8.259 -7.236 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.803 -8.993 -7.872 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.672 -2.312 -2.206 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.504 -1.932 -1.068 1.00 0.39 C ATOM 1223 C VAL A 76 -4.909 -2.529 -1.120 1.00 0.31 C ATOM 1224 O VAL A 76 -5.738 -2.161 -1.952 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.560 -0.386 -0.863 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.595 0.349 -2.185 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.737 0.044 0.012 1.00 0.47 C ATOM 0 H VAL A 76 -3.119 -2.252 -3.121 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.012 -2.365 -0.197 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.643 -0.115 -0.339 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.634 1.423 -2.003 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.699 0.110 -2.758 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.477 0.044 -2.747 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.730 1.128 0.124 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.671 -0.267 -0.456 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.650 -0.422 0.993 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.154 -3.429 -0.175 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.429 -4.081 -0.011 1.00 0.31 C ATOM 1239 C ILE A 77 -7.128 -3.415 1.167 1.00 0.30 C ATOM 1240 O ILE A 77 -6.469 -3.009 2.124 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.242 -5.586 0.277 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.703 -6.301 -0.959 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.543 -6.218 0.731 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.148 -7.679 -0.668 1.00 0.42 C ATOM 0 H ILE A 77 -4.454 -3.725 0.506 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.018 -3.989 -0.923 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.517 -5.690 1.084 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.502 -6.388 -1.695 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.920 -5.691 -1.409 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.383 -7.278 0.927 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.887 -5.728 1.642 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.295 -6.103 -0.049 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.783 -8.127 -1.592 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.327 -7.598 0.044 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.934 -8.306 -0.246 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.439 -3.287 1.114 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.147 -2.647 2.214 1.00 0.30 C ATOM 1258 C ALA A 78 -10.616 -3.013 2.229 1.00 0.34 C ATOM 1259 O ALA A 78 -11.343 -2.739 1.276 1.00 0.60 O ATOM 1260 CB ALA A 78 -8.982 -1.138 2.136 1.00 0.39 C ATOM 0 H ALA A 78 -9.027 -3.607 0.344 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.709 -3.010 3.144 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.516 -0.670 2.963 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.924 -0.884 2.197 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.388 -0.776 1.192 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.056 -3.624 3.316 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.449 -4.006 3.431 1.00 0.43 C ATOM 1268 C LYS A 79 -13.336 -2.776 3.313 1.00 0.59 C ATOM 1269 O LYS A 79 -12.905 -1.732 2.825 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.733 -4.727 4.747 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.575 -5.555 5.276 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.061 -6.603 6.263 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.793 -8.014 5.759 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.045 -8.814 5.656 1.00 1.98 N ATOM 0 H LYS A 79 -10.476 -3.863 4.120 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.671 -4.698 2.618 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.008 -3.988 5.499 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.596 -5.379 4.610 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.062 -6.042 4.446 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.849 -4.903 5.761 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.564 -6.458 7.222 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.130 -6.474 6.435 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.312 -7.965 4.782 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.097 -8.514 6.433 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.820 -9.768 5.309 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.491 -8.882 6.593 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.699 -8.351 4.994 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.576 -2.897 3.760 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.505 -1.784 3.695 1.00 0.70 C ATOM 1290 C ASN A 80 -16.528 -1.864 4.821 1.00 0.87 C ATOM 1291 O ASN A 80 -16.672 -2.893 5.481 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.212 -1.760 2.343 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.418 -1.016 1.288 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.723 0.131 0.960 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.390 -1.663 0.749 1.00 2.05 N ATOM 0 H ASN A 80 -14.959 -3.749 4.169 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.937 -0.861 3.812 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.386 -2.783 2.009 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.190 -1.291 2.456 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -13.820 -1.210 0.035 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.171 -2.613 1.049 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.225 -0.762 5.029 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.244 -0.658 6.071 1.00 0.82 C ATOM 1304 C ALA A 81 -19.110 -1.915 6.176 1.00 0.88 C ATOM 1305 O ALA A 81 -19.615 -2.235 7.252 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.121 0.556 5.814 1.00 0.83 C ATOM 0 H ALA A 81 -17.104 0.091 4.482 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.723 -0.548 7.022 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.879 0.629 6.594 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.507 1.456 5.820 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.607 0.455 4.844 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.292 -2.620 5.063 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.114 -3.828 5.061 1.00 0.90 C ATOM 1314 C ALA A 82 -19.280 -5.090 4.872 1.00 0.88 C ATOM 1315 O ALA A 82 -19.780 -6.107 4.392 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.180 -3.736 3.981 1.00 0.94 C ATOM 0 H ALA A 82 -18.886 -2.380 4.159 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.593 -3.898 6.038 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.786 -4.642 3.990 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.817 -2.872 4.171 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.703 -3.628 3.007 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.008 -5.025 5.254 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.136 -6.176 5.118 1.00 0.86 C ATOM 1324 C GLY A 83 -16.749 -6.470 3.678 1.00 0.78 C ATOM 1325 O GLY A 83 -16.041 -7.442 3.412 1.00 0.93 O ATOM 0 H GLY A 83 -17.567 -4.197 5.654 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.232 -6.009 5.703 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.632 -7.050 5.540 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.204 -5.635 2.745 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.881 -5.827 1.336 1.00 0.78 C ATOM 1331 C ALA A 84 -15.384 -5.660 1.120 1.00 0.76 C ATOM 1332 O ALA A 84 -14.872 -4.541 1.107 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.664 -4.845 0.476 1.00 0.92 C ATOM 0 H ALA A 84 -17.793 -4.825 2.939 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.164 -6.837 1.040 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.413 -5.000 -0.573 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.732 -5.006 0.621 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.408 -3.825 0.764 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.679 -6.777 0.972 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.239 -6.736 0.786 1.00 0.40 C ATOM 1341 C ILE A 85 -12.829 -6.137 -0.549 1.00 0.38 C ATOM 1342 O ILE A 85 -13.089 -6.702 -1.611 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.598 -8.135 0.955 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.075 -8.052 1.207 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.878 -9.008 -0.265 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.560 -6.735 1.768 1.00 0.79 C ATOM 0 H ILE A 85 -15.081 -7.714 0.978 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.863 -6.079 1.570 1.00 0.40 H new ATOM 0 HB ILE A 85 -13.055 -8.589 1.834 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.797 -8.850 1.895 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.560 -8.249 0.266 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.419 -9.987 -0.125 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.954 -9.127 -0.388 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.461 -8.535 -1.154 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.480 -6.795 1.903 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.795 -5.927 1.075 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -11.035 -6.538 2.729 1.00 0.79 H new ATOM 1358 N SER A 86 -12.168 -4.988 -0.476 1.00 0.39 N ATOM 1359 CA SER A 86 -11.696 -4.308 -1.674 1.00 0.45 C ATOM 1360 C SER A 86 -10.418 -4.970 -2.178 1.00 0.44 C ATOM 1361 O SER A 86 -9.392 -4.934 -1.490 1.00 0.43 O ATOM 1362 CB SER A 86 -11.432 -2.827 -1.393 1.00 0.54 C ATOM 1363 OG SER A 86 -10.156 -2.630 -0.797 1.00 0.59 O ATOM 0 H SER A 86 -11.948 -4.510 0.397 1.00 0.39 H new ATOM 0 HA SER A 86 -12.471 -4.383 -2.437 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.491 -2.263 -2.324 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.207 -2.437 -0.734 1.00 0.54 H new ATOM 0 HG SER A 86 -10.259 -2.126 0.037 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.448 -5.585 -3.376 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.276 -6.249 -3.938 1.00 0.61 C ATOM 1371 C PRO A 87 -8.039 -5.360 -3.884 1.00 0.54 C ATOM 1372 O PRO A 87 -8.145 -4.134 -3.826 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.668 -6.557 -5.392 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.970 -5.863 -5.621 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.607 -5.687 -4.272 1.00 0.59 C ATOM 0 HA PRO A 87 -9.012 -7.145 -3.376 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.907 -6.199 -6.086 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.765 -7.631 -5.551 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.815 -4.899 -6.105 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.611 -6.450 -6.278 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.229 -4.793 -4.232 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.246 -6.532 -4.013 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.845 -5.969 -3.889 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.580 -5.235 -3.826 1.00 0.56 C ATOM 1385 C PRO A 88 -5.397 -4.248 -4.965 1.00 0.48 C ATOM 1386 O PRO A 88 -5.493 -4.608 -6.139 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.509 -6.329 -3.917 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.216 -7.538 -4.429 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.631 -7.425 -3.947 1.00 0.72 C ATOM 0 HA PRO A 88 -5.532 -4.634 -2.918 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.702 -6.033 -4.587 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.060 -6.520 -2.942 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.177 -7.581 -5.517 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.749 -8.450 -4.057 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.330 -7.909 -4.629 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.764 -7.892 -2.971 1.00 0.72 H new ATOM 1397 N SER A 89 -5.111 -3.001 -4.610 1.00 0.43 N ATOM 1398 CA SER A 89 -4.889 -1.966 -5.602 1.00 0.42 C ATOM 1399 C SER A 89 -3.479 -2.109 -6.168 1.00 0.35 C ATOM 1400 O SER A 89 -2.521 -2.267 -5.405 1.00 0.51 O ATOM 1401 CB SER A 89 -5.097 -0.573 -4.988 1.00 0.56 C ATOM 1402 OG SER A 89 -3.877 0.139 -4.863 1.00 1.28 O ATOM 0 H SER A 89 -5.028 -2.686 -3.643 1.00 0.43 H new ATOM 0 HA SER A 89 -5.611 -2.079 -6.411 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.788 -0.003 -5.609 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.560 -0.675 -4.006 1.00 0.56 H new ATOM 0 HG SER A 89 -4.047 1.099 -4.964 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.378 -2.064 -7.504 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.106 -2.196 -8.240 1.00 0.37 C ATOM 1410 C GLU A 90 -0.874 -1.849 -7.392 1.00 0.34 C ATOM 1411 O GLU A 90 -0.632 -0.684 -7.096 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.142 -1.291 -9.473 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.065 -2.044 -10.791 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.892 -1.609 -11.648 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.145 -0.707 -11.217 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.721 -2.173 -12.749 1.00 1.77 O ATOM 0 H GLU A 90 -4.185 -1.933 -8.114 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.010 -3.244 -8.523 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.060 -0.704 -9.454 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.312 -0.587 -9.419 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.986 -3.112 -10.590 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.991 -1.892 -11.346 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.081 -2.860 -6.992 1.00 0.30 N ATOM 1424 CA PRO A 91 1.122 -2.653 -6.177 1.00 0.29 C ATOM 1425 C PRO A 91 1.989 -1.499 -6.666 1.00 0.31 C ATOM 1426 O PRO A 91 2.136 -1.288 -7.869 1.00 0.55 O ATOM 1427 CB PRO A 91 1.878 -3.969 -6.340 1.00 0.36 C ATOM 1428 CG PRO A 91 0.815 -4.986 -6.551 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.294 -4.288 -7.300 1.00 0.39 C ATOM 0 HA PRO A 91 0.866 -2.396 -5.149 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.564 -3.930 -7.186 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.475 -4.196 -5.456 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.195 -5.834 -7.120 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.456 -5.377 -5.599 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.235 -4.479 -8.371 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.276 -4.627 -6.969 1.00 0.39 H new ATOM 1437 N SER A 92 2.574 -0.764 -5.724 1.00 0.27 N ATOM 1438 CA SER A 92 3.440 0.349 -6.067 1.00 0.31 C ATOM 1439 C SER A 92 4.809 -0.168 -6.453 1.00 0.27 C ATOM 1440 O SER A 92 5.245 -1.213 -5.953 1.00 0.24 O ATOM 1441 CB SER A 92 3.601 1.337 -4.912 1.00 0.39 C ATOM 1442 OG SER A 92 2.614 1.177 -3.917 1.00 1.23 O ATOM 0 H SER A 92 2.462 -0.922 -4.723 1.00 0.27 H new ATOM 0 HA SER A 92 2.972 0.872 -6.901 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.586 1.209 -4.464 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.558 2.354 -5.301 1.00 0.39 H new ATOM 0 HG SER A 92 2.662 1.925 -3.285 1.00 1.23 H new ATOM 1448 N ASP A 93 5.479 0.577 -7.334 1.00 0.33 N ATOM 1449 CA ASP A 93 6.814 0.227 -7.812 1.00 0.36 C ATOM 1450 C ASP A 93 7.664 -0.384 -6.707 1.00 0.32 C ATOM 1451 O ASP A 93 7.481 -0.080 -5.528 1.00 0.56 O ATOM 1452 CB ASP A 93 7.512 1.472 -8.371 1.00 0.45 C ATOM 1453 CG ASP A 93 7.614 1.463 -9.885 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.465 0.721 -10.417 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.842 2.197 -10.537 1.00 1.55 O ATOM 0 H ASP A 93 5.110 1.439 -7.735 1.00 0.33 H new ATOM 0 HA ASP A 93 6.700 -0.517 -8.600 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.967 2.361 -8.054 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.513 1.543 -7.945 1.00 0.45 H new ATOM 1460 N ALA A 94 8.593 -1.240 -7.092 1.00 0.33 N ATOM 1461 CA ALA A 94 9.462 -1.877 -6.123 1.00 0.28 C ATOM 1462 C ALA A 94 10.592 -0.936 -5.725 1.00 0.29 C ATOM 1463 O ALA A 94 11.444 -0.593 -6.544 1.00 0.41 O ATOM 1464 CB ALA A 94 10.029 -3.171 -6.685 1.00 0.34 C ATOM 0 H ALA A 94 8.764 -1.508 -8.061 1.00 0.33 H new ATOM 0 HA ALA A 94 8.874 -2.112 -5.236 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.679 -3.636 -5.944 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.212 -3.851 -6.928 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.603 -2.956 -7.587 1.00 0.34 H new ATOM 1470 N ILE A 95 10.592 -0.513 -4.468 1.00 0.25 N ATOM 1471 CA ILE A 95 11.617 0.394 -3.977 1.00 0.28 C ATOM 1472 C ILE A 95 12.740 -0.362 -3.269 1.00 0.26 C ATOM 1473 O ILE A 95 12.536 -0.947 -2.206 1.00 0.25 O ATOM 1474 CB ILE A 95 11.015 1.446 -3.022 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.936 2.252 -3.749 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.102 2.367 -2.486 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.529 1.771 -3.476 1.00 0.44 C ATOM 0 H ILE A 95 9.896 -0.783 -3.773 1.00 0.25 H new ATOM 0 HA ILE A 95 12.036 0.903 -4.845 1.00 0.28 H new ATOM 0 HB ILE A 95 10.559 0.932 -2.175 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.016 3.298 -3.454 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.124 2.208 -4.822 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.658 3.102 -1.815 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.842 1.779 -1.942 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.586 2.881 -3.317 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.820 2.390 -4.025 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.430 0.734 -3.797 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.321 1.841 -2.408 1.00 0.44 H new ATOM 1489 N THR A 96 13.926 -0.342 -3.874 1.00 0.29 N ATOM 1490 CA THR A 96 15.093 -1.020 -3.314 1.00 0.32 C ATOM 1491 C THR A 96 15.354 -0.569 -1.883 1.00 0.32 C ATOM 1492 O THR A 96 15.769 -1.363 -1.039 1.00 0.38 O ATOM 1493 CB THR A 96 16.327 -0.751 -4.176 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.103 -1.164 -5.512 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.570 -1.458 -3.678 1.00 0.43 C ATOM 0 H THR A 96 14.104 0.139 -4.756 1.00 0.29 H new ATOM 0 HA THR A 96 14.887 -2.090 -3.306 1.00 0.32 H new ATOM 0 HB THR A 96 16.493 0.325 -4.118 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.902 -0.983 -6.049 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.409 -1.225 -4.334 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.798 -1.124 -2.666 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.400 -2.535 -3.675 1.00 0.43 H new ATOM 1503 N CYS A 97 15.109 0.709 -1.613 1.00 0.32 N ATOM 1504 CA CYS A 97 15.322 1.249 -0.278 1.00 0.36 C ATOM 1505 C CYS A 97 16.785 1.112 0.119 1.00 0.43 C ATOM 1506 O CYS A 97 17.202 0.080 0.638 1.00 0.64 O ATOM 1507 CB CYS A 97 14.433 0.515 0.723 1.00 0.38 C ATOM 1508 SG CYS A 97 12.960 1.437 1.223 1.00 1.10 S ATOM 0 H CYS A 97 14.766 1.384 -2.296 1.00 0.32 H new ATOM 0 HA CYS A 97 15.061 2.307 -0.277 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.123 -0.435 0.288 1.00 0.38 H new ATOM 0 HB3 CYS A 97 15.021 0.282 1.611 1.00 0.38 H new ATOM 0 HG CYS A 97 13.276 2.682 1.427 1.00 1.10 H new ATOM 1514 N ARG A 98 17.563 2.155 -0.137 1.00 0.53 N ATOM 1515 CA ARG A 98 18.987 2.142 0.190 1.00 0.63 C ATOM 1516 C ARG A 98 19.453 3.485 0.745 1.00 0.80 C ATOM 1517 O ARG A 98 19.526 3.676 1.958 1.00 1.04 O ATOM 1518 CB ARG A 98 19.820 1.761 -1.038 1.00 0.68 C ATOM 1519 CG ARG A 98 19.209 2.195 -2.361 1.00 0.74 C ATOM 1520 CD ARG A 98 20.245 2.858 -3.254 1.00 0.92 C ATOM 1521 NE ARG A 98 21.389 1.983 -3.502 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.618 2.418 -3.774 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.871 3.720 -3.838 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.596 1.549 -3.982 1.00 2.68 N ATOM 0 H ARG A 98 17.236 3.019 -0.569 1.00 0.53 H new ATOM 0 HA ARG A 98 19.134 1.391 0.966 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.811 2.206 -0.944 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.956 0.680 -1.050 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.786 1.329 -2.871 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.388 2.888 -2.176 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.785 3.132 -4.203 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.588 3.782 -2.788 1.00 0.92 H new ATOM 0 HE ARG A 98 21.236 0.975 -3.464 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.122 4.394 -3.678 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.815 4.047 -4.047 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.407 0.548 -3.934 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.538 1.881 -4.190 1.00 2.68 H new ATOM 1538 N ASP A 99 19.774 4.406 -0.148 1.00 0.92 N ATOM 1539 CA ASP A 99 20.241 5.727 0.254 1.00 1.20 C ATOM 1540 C ASP A 99 19.193 6.807 -0.008 1.00 1.03 C ATOM 1541 O ASP A 99 19.347 7.947 0.433 1.00 1.20 O ATOM 1542 CB ASP A 99 21.542 6.071 -0.471 1.00 1.61 C ATOM 1543 CG ASP A 99 21.315 6.979 -1.664 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.288 7.690 -1.681 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.163 6.979 -2.580 1.00 2.08 O ATOM 0 H ASP A 99 19.721 4.266 -1.157 1.00 0.92 H new ATOM 0 HA ASP A 99 20.422 5.697 1.328 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.226 6.555 0.226 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.024 5.152 -0.804 1.00 1.61 H new ATOM 1550 N ASP A 100 18.129 6.452 -0.718 1.00 0.85 N ATOM 1551 CA ASP A 100 17.068 7.405 -1.020 1.00 0.92 C ATOM 1552 C ASP A 100 17.628 8.655 -1.688 1.00 1.22 C ATOM 1553 O ASP A 100 17.060 9.741 -1.569 1.00 1.38 O ATOM 1554 CB ASP A 100 16.342 7.790 0.265 1.00 0.87 C ATOM 1555 CG ASP A 100 15.052 8.539 -0.001 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.646 8.622 -1.180 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.445 9.042 0.968 1.00 2.03 O ATOM 0 H ASP A 100 17.978 5.516 -1.094 1.00 0.85 H new ATOM 0 HA ASP A 100 16.369 6.932 -1.710 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.124 6.890 0.839 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.998 8.408 0.878 1.00 0.87 H new