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 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.248 K(o=-0.25,f=0.4) USER MOD Set 2.1: A 19 THR OG1 : rot -64:sc= 0.941 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.827 USER MOD Set 3.1: A 12 ASN : amide:sc= -1.35 K(o=-0.2,f=0.34) USER MOD Set 3.2: A 14 THR OG1 : rot 76:sc= 1.38 USER MOD Set 3.3: A 17 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.994 X(o=-0.99,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.039) 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 134:sc= 0.152 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -0.0339 (180deg=-0.335) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= -0.0158 (180deg=-0.361) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 0.335 (180deg=-0.104) USER MOD Single : A 52 ASN : amide:sc= -6.94! C(o=-6.9!,f=-5.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.017 USER MOD Single : A 59 ASN : amide:sc= -3.81! C(o=-3.8!,f=-8.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.1 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 130:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 86 SER OG : rot -82:sc=-0.00341 USER MOD Single : A 89 SER OG : rot 78:sc= 0.532 USER MOD Single : A 92 SER OG : rot -67:sc= -0.308 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00782 USER MOD Single : A 97 CYS SG : rot -55:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.366 -3.913 -5.450 1.00 0.68 N ATOM 27 CA ILE A 2 -17.389 -3.199 -4.636 1.00 0.61 C ATOM 28 C ILE A 2 -16.262 -2.640 -5.498 1.00 0.57 C ATOM 29 O ILE A 2 -15.867 -3.250 -6.490 1.00 0.63 O ATOM 30 CB ILE A 2 -16.793 -4.117 -3.549 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.946 -3.306 -2.566 1.00 0.60 C ATOM 32 CG2 ILE A 2 -15.959 -5.224 -4.183 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.220 -4.155 -1.540 1.00 0.56 C ATOM 0 HA ILE A 2 -17.913 -2.373 -4.155 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.615 -4.576 -2.999 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.214 -2.724 -3.126 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.589 -2.595 -2.047 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.546 -5.862 -3.401 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.588 -5.821 -4.844 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.145 -4.782 -4.758 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.641 -3.511 -0.879 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.946 -4.718 -0.954 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.550 -4.848 -2.049 1.00 0.56 H new ATOM 45 N ASP A 3 -15.749 -1.478 -5.111 1.00 0.55 N ATOM 46 CA ASP A 3 -14.668 -0.839 -5.851 1.00 0.54 C ATOM 47 C ASP A 3 -13.520 -0.461 -4.916 1.00 0.47 C ATOM 48 O ASP A 3 -13.680 0.396 -4.046 1.00 0.49 O ATOM 49 CB ASP A 3 -15.183 0.406 -6.573 1.00 0.61 C ATOM 50 CG ASP A 3 -15.971 0.065 -7.821 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.352 -0.381 -8.811 1.00 1.64 O ATOM 52 OD2 ASP A 3 -17.207 0.243 -7.811 1.00 2.00 O ATOM 0 H ASP A 3 -16.064 -0.960 -4.291 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.295 -1.550 -6.589 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.813 0.982 -5.895 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.340 1.042 -6.842 1.00 0.61 H new ATOM 57 N PRO A 4 -12.344 -1.091 -5.080 1.00 0.44 N ATOM 58 CA PRO A 4 -11.179 -0.806 -4.243 1.00 0.41 C ATOM 59 C PRO A 4 -10.555 0.547 -4.573 1.00 0.38 C ATOM 60 O PRO A 4 -10.699 1.050 -5.688 1.00 0.43 O ATOM 61 CB PRO A 4 -10.217 -1.943 -4.583 1.00 0.45 C ATOM 62 CG PRO A 4 -10.567 -2.316 -5.979 1.00 0.50 C ATOM 63 CD PRO A 4 -12.055 -2.125 -6.093 1.00 0.50 C ATOM 0 HA PRO A 4 -11.432 -0.751 -3.184 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.178 -1.622 -4.506 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.341 -2.786 -3.903 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.036 -1.690 -6.696 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.288 -3.348 -6.190 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.343 -1.800 -7.093 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.596 -3.049 -5.890 1.00 0.50 H new ATOM 71 N PRO A 5 -9.858 1.159 -3.602 1.00 0.37 N ATOM 72 CA PRO A 5 -9.216 2.463 -3.790 1.00 0.39 C ATOM 73 C PRO A 5 -8.366 2.527 -5.054 1.00 0.38 C ATOM 74 O PRO A 5 -8.191 1.527 -5.752 1.00 0.47 O ATOM 75 CB PRO A 5 -8.337 2.607 -2.549 1.00 0.46 C ATOM 76 CG PRO A 5 -9.015 1.783 -1.511 1.00 0.71 C ATOM 77 CD PRO A 5 -9.644 0.629 -2.241 1.00 0.43 C ATOM 0 HA PRO A 5 -9.951 3.260 -3.908 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.324 2.252 -2.738 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.257 3.649 -2.238 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.302 1.431 -0.766 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.768 2.366 -0.981 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.992 -0.245 -2.248 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.582 0.323 -1.777 1.00 0.43 H new ATOM 85 N GLY A 6 -7.840 3.713 -5.339 1.00 0.37 N ATOM 86 CA GLY A 6 -7.011 3.900 -6.517 1.00 0.39 C ATOM 87 C GLY A 6 -5.658 3.224 -6.393 1.00 0.42 C ATOM 88 O GLY A 6 -5.297 2.737 -5.321 1.00 0.66 O ATOM 0 H GLY A 6 -7.973 4.551 -4.774 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.532 3.505 -7.389 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.866 4.967 -6.689 1.00 0.39 H new ATOM 92 N LYS A 7 -4.904 3.195 -7.491 1.00 0.41 N ATOM 93 CA LYS A 7 -3.582 2.577 -7.496 1.00 0.44 C ATOM 94 C LYS A 7 -2.639 3.323 -6.552 1.00 0.37 C ATOM 95 O LYS A 7 -2.619 4.554 -6.544 1.00 0.42 O ATOM 96 CB LYS A 7 -3.005 2.569 -8.913 1.00 0.54 C ATOM 97 CG LYS A 7 -1.563 2.090 -8.981 1.00 0.64 C ATOM 98 CD LYS A 7 -0.587 3.249 -8.866 1.00 1.01 C ATOM 99 CE LYS A 7 0.718 2.954 -9.589 1.00 0.95 C ATOM 100 NZ LYS A 7 0.651 3.325 -11.029 1.00 1.52 N ATOM 0 H LYS A 7 -5.187 3.592 -8.387 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.682 1.548 -7.150 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.622 1.929 -9.544 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.064 3.576 -9.326 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.377 1.375 -8.179 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.397 1.564 -9.921 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.039 4.149 -9.282 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.384 3.452 -7.814 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.530 3.502 -9.110 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.952 1.893 -9.498 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.560 3.108 -11.486 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 -0.107 2.784 -11.492 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.453 4.342 -11.117 1.00 1.52 H new ATOM 114 N PRO A 8 -1.843 2.604 -5.734 1.00 0.34 N ATOM 115 CA PRO A 8 -0.914 3.230 -4.793 1.00 0.32 C ATOM 116 C PRO A 8 0.386 3.675 -5.452 1.00 0.33 C ATOM 117 O PRO A 8 1.035 2.902 -6.156 1.00 0.44 O ATOM 118 CB PRO A 8 -0.631 2.124 -3.762 1.00 0.39 C ATOM 119 CG PRO A 8 -1.428 0.931 -4.194 1.00 0.44 C ATOM 120 CD PRO A 8 -1.773 1.140 -5.641 1.00 0.41 C ATOM 0 HA PRO A 8 -1.340 4.136 -4.363 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.433 1.889 -3.727 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.920 2.443 -2.761 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.854 0.014 -4.062 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.331 0.831 -3.592 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.014 0.726 -6.305 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.720 0.669 -5.906 1.00 0.41 H new ATOM 128 N VAL A 9 0.762 4.928 -5.209 1.00 0.34 N ATOM 129 CA VAL A 9 1.987 5.481 -5.768 1.00 0.38 C ATOM 130 C VAL A 9 2.795 6.214 -4.690 1.00 0.34 C ATOM 131 O VAL A 9 2.421 7.303 -4.250 1.00 0.35 O ATOM 132 CB VAL A 9 1.693 6.436 -6.946 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.040 7.721 -6.465 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.968 6.733 -7.721 1.00 0.53 C ATOM 0 H VAL A 9 0.233 5.578 -4.628 1.00 0.34 H new ATOM 0 HA VAL A 9 2.576 4.646 -6.146 1.00 0.38 H new ATOM 0 HB VAL A 9 0.990 5.940 -7.615 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.846 8.372 -7.318 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.100 7.487 -5.966 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.705 8.228 -5.766 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.743 7.407 -8.547 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.696 7.202 -7.058 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.380 5.803 -8.113 1.00 0.53 H new ATOM 144 N PRO A 10 3.906 5.611 -4.228 1.00 0.34 N ATOM 145 CA PRO A 10 4.741 6.204 -3.190 1.00 0.32 C ATOM 146 C PRO A 10 5.101 7.661 -3.452 1.00 0.37 C ATOM 147 O PRO A 10 5.549 8.017 -4.543 1.00 0.64 O ATOM 148 CB PRO A 10 6.003 5.356 -3.194 1.00 0.38 C ATOM 149 CG PRO A 10 5.589 4.039 -3.749 1.00 0.39 C ATOM 150 CD PRO A 10 4.415 4.299 -4.658 1.00 0.42 C ATOM 0 HA PRO A 10 4.211 6.213 -2.238 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.782 5.813 -3.804 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.408 5.249 -2.188 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.409 3.576 -4.299 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.314 3.352 -2.949 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.718 4.314 -5.705 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.655 3.525 -4.557 1.00 0.42 H new ATOM 158 N LEU A 11 4.923 8.497 -2.434 1.00 0.34 N ATOM 159 CA LEU A 11 5.253 9.915 -2.535 1.00 0.43 C ATOM 160 C LEU A 11 6.719 10.104 -2.186 1.00 0.43 C ATOM 161 O LEU A 11 7.436 10.888 -2.809 1.00 0.57 O ATOM 162 CB LEU A 11 4.402 10.741 -1.567 1.00 0.56 C ATOM 163 CG LEU A 11 2.905 10.847 -1.878 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.388 9.608 -2.601 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.137 11.069 -0.585 1.00 1.12 C ATOM 0 H LEU A 11 4.551 8.216 -1.527 1.00 0.34 H new ATOM 0 HA LEU A 11 5.053 10.251 -3.552 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.512 10.315 -0.570 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.813 11.750 -1.530 1.00 0.56 H new ATOM 0 HG LEU A 11 2.752 11.695 -2.546 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.323 9.723 -2.803 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.925 9.485 -3.542 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.546 8.729 -1.976 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.072 11.145 -0.803 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.311 10.231 0.090 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.477 11.991 -0.113 1.00 1.12 H new ATOM 177 N ASN A 12 7.142 9.358 -1.175 1.00 0.34 N ATOM 178 CA ASN A 12 8.513 9.389 -0.697 1.00 0.36 C ATOM 179 C ASN A 12 8.972 7.963 -0.449 1.00 0.37 C ATOM 180 O ASN A 12 8.155 7.101 -0.137 1.00 0.58 O ATOM 181 CB ASN A 12 8.615 10.210 0.589 1.00 0.42 C ATOM 182 CG ASN A 12 9.996 10.145 1.210 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.800 11.065 1.063 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.276 9.053 1.910 1.00 0.71 N ATOM 0 H ASN A 12 6.540 8.713 -0.663 1.00 0.34 H new ATOM 0 HA ASN A 12 9.151 9.859 -1.446 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.365 11.249 0.374 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.880 9.847 1.307 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.189 8.951 2.353 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.578 8.315 2.005 1.00 0.71 H new ATOM 191 N ILE A 13 10.259 7.699 -0.597 1.00 0.38 N ATOM 192 CA ILE A 13 10.758 6.350 -0.392 1.00 0.43 C ATOM 193 C ILE A 13 12.133 6.330 0.261 1.00 0.53 C ATOM 194 O ILE A 13 13.154 6.214 -0.415 1.00 0.75 O ATOM 195 CB ILE A 13 10.806 5.588 -1.721 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.427 6.469 -2.807 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.396 5.153 -2.109 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.226 5.939 -4.207 1.00 0.96 C ATOM 0 H ILE A 13 10.967 8.387 -0.854 1.00 0.38 H new ATOM 0 HA ILE A 13 10.063 5.858 0.289 1.00 0.43 H new ATOM 0 HB ILE A 13 11.426 4.699 -1.612 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.997 7.469 -2.741 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.495 6.568 -2.615 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.430 4.611 -3.054 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.989 4.505 -1.333 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.761 6.032 -2.217 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.693 6.616 -4.923 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.680 4.952 -4.291 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.159 5.867 -4.419 1.00 0.96 H new ATOM 210 N THR A 14 12.144 6.433 1.585 1.00 0.59 N ATOM 211 CA THR A 14 13.379 6.418 2.354 1.00 0.71 C ATOM 212 C THR A 14 13.914 4.995 2.478 1.00 0.79 C ATOM 213 O THR A 14 13.175 4.025 2.304 1.00 1.46 O ATOM 214 CB THR A 14 13.144 7.012 3.745 1.00 0.75 C ATOM 215 OG1 THR A 14 11.808 7.468 3.874 1.00 0.69 O ATOM 216 CG2 THR A 14 14.059 8.174 4.066 1.00 0.94 C ATOM 0 H THR A 14 11.301 6.529 2.151 1.00 0.59 H new ATOM 0 HA THR A 14 14.118 7.024 1.830 1.00 0.71 H new ATOM 0 HB THR A 14 13.357 6.203 4.444 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.211 6.701 3.999 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.838 8.546 5.066 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.097 7.843 4.023 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.903 8.972 3.340 1.00 0.94 H new ATOM 224 N ARG A 15 15.203 4.877 2.775 1.00 0.66 N ATOM 225 CA ARG A 15 15.838 3.566 2.912 1.00 0.67 C ATOM 226 C ARG A 15 15.135 2.696 3.956 1.00 0.71 C ATOM 227 O ARG A 15 15.326 1.480 3.981 1.00 1.19 O ATOM 228 CB ARG A 15 17.331 3.689 3.255 1.00 0.80 C ATOM 229 CG ARG A 15 17.714 4.957 4.000 1.00 0.96 C ATOM 230 CD ARG A 15 16.843 5.174 5.227 1.00 1.13 C ATOM 231 NE ARG A 15 17.578 5.825 6.308 1.00 1.43 N ATOM 232 CZ ARG A 15 17.781 7.137 6.375 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.306 7.933 5.426 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.460 7.654 7.390 1.00 1.90 N ATOM 0 H ARG A 15 15.829 5.668 2.926 1.00 0.66 H new ATOM 0 HA ARG A 15 15.745 3.079 1.941 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.622 2.829 3.858 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.906 3.640 2.331 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.760 4.900 4.302 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.621 5.813 3.332 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.980 5.783 4.957 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.460 4.215 5.575 1.00 1.13 H new ATOM 0 HE ARG A 15 17.957 5.240 7.053 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.784 7.539 4.643 1.00 2.42 H new ATOM 0 HH12 ARG A 15 17.463 8.940 5.479 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.827 7.045 8.121 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.615 8.661 7.440 1.00 1.90 H new ATOM 248 N HIS A 16 14.328 3.309 4.822 1.00 0.50 N ATOM 249 CA HIS A 16 13.622 2.552 5.855 1.00 0.54 C ATOM 250 C HIS A 16 12.207 3.083 6.087 1.00 0.57 C ATOM 251 O HIS A 16 11.707 3.059 7.210 1.00 0.97 O ATOM 252 CB HIS A 16 14.407 2.589 7.164 1.00 0.67 C ATOM 253 CG HIS A 16 15.490 1.559 7.242 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.474 0.491 8.110 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.641 1.447 6.531 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.591 -0.220 7.908 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.334 0.317 6.960 1.00 0.86 N ATOM 0 H HIS A 16 14.148 4.313 4.830 1.00 0.50 H new ATOM 0 HA HIS A 16 13.539 1.523 5.505 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.848 3.578 7.286 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.718 2.443 7.996 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.741 0.279 8.787 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.967 2.125 5.757 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.850 -1.117 8.451 1.00 1.02 H new ATOM 265 N THR A 17 11.566 3.554 5.024 1.00 0.43 N ATOM 266 CA THR A 17 10.206 4.082 5.123 1.00 0.42 C ATOM 267 C THR A 17 9.723 4.558 3.764 1.00 0.38 C ATOM 268 O THR A 17 10.336 5.429 3.157 1.00 0.56 O ATOM 269 CB THR A 17 10.149 5.238 6.123 1.00 0.56 C ATOM 270 OG1 THR A 17 11.420 5.855 6.255 1.00 0.65 O ATOM 271 CG2 THR A 17 9.688 4.814 7.502 1.00 0.68 C ATOM 0 H THR A 17 11.963 3.582 4.085 1.00 0.43 H new ATOM 0 HA THR A 17 9.555 3.280 5.472 1.00 0.42 H new ATOM 0 HB THR A 17 9.418 5.937 5.716 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.361 6.592 6.898 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.670 5.681 8.162 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.687 4.388 7.436 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.375 4.068 7.902 1.00 0.68 H new ATOM 279 N VAL A 18 8.627 3.984 3.277 1.00 0.27 N ATOM 280 CA VAL A 18 8.106 4.371 1.976 1.00 0.33 C ATOM 281 C VAL A 18 6.700 4.971 2.075 1.00 0.32 C ATOM 282 O VAL A 18 5.730 4.275 2.371 1.00 0.51 O ATOM 283 CB VAL A 18 8.097 3.162 1.017 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.461 3.531 -0.314 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.510 2.627 0.815 1.00 0.46 C ATOM 0 H VAL A 18 8.091 3.261 3.757 1.00 0.27 H new ATOM 0 HA VAL A 18 8.768 5.141 1.580 1.00 0.33 H new ATOM 0 HB VAL A 18 7.496 2.373 1.469 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.466 2.663 -0.973 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.433 3.855 -0.149 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.027 4.340 -0.776 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.483 1.775 0.136 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.138 3.410 0.390 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.921 2.313 1.775 1.00 0.46 H new ATOM 295 N THR A 19 6.600 6.272 1.807 1.00 0.27 N ATOM 296 CA THR A 19 5.320 6.970 1.845 1.00 0.24 C ATOM 297 C THR A 19 4.601 6.822 0.517 1.00 0.22 C ATOM 298 O THR A 19 5.239 6.853 -0.531 1.00 0.34 O ATOM 299 CB THR A 19 5.507 8.452 2.133 1.00 0.28 C ATOM 300 OG1 THR A 19 6.102 8.656 3.403 1.00 0.35 O ATOM 301 CG2 THR A 19 4.200 9.207 2.100 1.00 0.32 C ATOM 0 H THR A 19 7.394 6.864 1.561 1.00 0.27 H new ATOM 0 HA THR A 19 4.729 6.523 2.644 1.00 0.24 H new ATOM 0 HB THR A 19 6.160 8.831 1.347 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.499 8.328 4.103 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.383 10.261 2.311 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.747 9.108 1.113 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.525 8.798 2.852 1.00 0.32 H new ATOM 309 N LEU A 20 3.276 6.672 0.570 1.00 0.28 N ATOM 310 CA LEU A 20 2.483 6.518 -0.643 1.00 0.26 C ATOM 311 C LEU A 20 1.103 7.142 -0.513 1.00 0.28 C ATOM 312 O LEU A 20 0.608 7.386 0.592 1.00 0.40 O ATOM 313 CB LEU A 20 2.338 5.040 -1.034 1.00 0.33 C ATOM 314 CG LEU A 20 2.955 4.022 -0.069 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.908 3.030 0.398 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.118 3.331 -0.743 1.00 0.50 C ATOM 0 H LEU A 20 2.736 6.654 1.435 1.00 0.28 H new ATOM 0 HA LEU A 20 3.025 7.046 -1.428 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.276 4.815 -1.137 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.790 4.899 -2.016 1.00 0.33 H new ATOM 0 HG LEU A 20 3.328 4.538 0.816 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.364 2.315 1.082 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.106 3.562 0.910 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.500 2.499 -0.462 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.558 2.607 -0.057 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.767 2.817 -1.638 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.869 4.070 -1.020 1.00 0.50 H new ATOM 328 N LYS A 21 0.490 7.387 -1.665 1.00 0.25 N ATOM 329 CA LYS A 21 -0.839 7.977 -1.722 1.00 0.31 C ATOM 330 C LYS A 21 -1.590 7.483 -2.954 1.00 0.31 C ATOM 331 O LYS A 21 -0.997 7.275 -4.011 1.00 0.51 O ATOM 332 CB LYS A 21 -0.737 9.501 -1.743 1.00 0.40 C ATOM 333 CG LYS A 21 -1.730 10.195 -0.828 1.00 0.81 C ATOM 334 CD LYS A 21 -3.113 10.253 -1.450 1.00 0.95 C ATOM 335 CE LYS A 21 -3.349 11.569 -2.175 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.574 12.697 -1.228 1.00 1.84 N ATOM 0 H LYS A 21 0.897 7.184 -2.578 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.393 7.672 -0.834 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.273 9.792 -1.455 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.891 9.852 -2.763 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.780 9.667 0.124 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.384 11.206 -0.614 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.232 9.426 -2.150 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.867 10.125 -0.673 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.490 11.793 -2.808 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.213 11.470 -2.833 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.913 13.529 -1.753 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.285 12.420 -0.521 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.681 12.930 -0.748 1.00 1.84 H new ATOM 350 N TRP A 22 -2.895 7.297 -2.810 1.00 0.25 N ATOM 351 CA TRP A 22 -3.724 6.827 -3.912 1.00 0.24 C ATOM 352 C TRP A 22 -5.045 7.587 -3.956 1.00 0.24 C ATOM 353 O TRP A 22 -5.248 8.539 -3.204 1.00 0.40 O ATOM 354 CB TRP A 22 -4.001 5.335 -3.758 1.00 0.27 C ATOM 355 CG TRP A 22 -4.532 4.970 -2.410 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.814 4.619 -2.103 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.796 4.919 -1.184 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.920 4.351 -0.761 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.694 4.530 -0.175 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.464 5.168 -0.842 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.303 4.380 1.151 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.076 5.017 0.477 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.996 4.626 1.460 1.00 0.32 C ATOM 0 H TRP A 22 -3.403 7.464 -1.941 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.186 7.004 -4.843 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.717 5.025 -4.519 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.081 4.781 -3.941 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.627 4.561 -2.812 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.772 4.065 -0.279 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.751 5.473 -1.594 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.009 4.079 1.911 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.049 5.203 0.754 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.664 4.517 2.482 1.00 0.32 H new ATOM 374 N ALA A 23 -5.943 7.154 -4.835 1.00 0.31 N ATOM 375 CA ALA A 23 -7.246 7.786 -4.969 1.00 0.33 C ATOM 376 C ALA A 23 -8.273 7.076 -4.094 1.00 0.36 C ATOM 377 O ALA A 23 -7.913 6.275 -3.232 1.00 0.83 O ATOM 378 CB ALA A 23 -7.687 7.779 -6.425 1.00 0.36 C ATOM 0 H ALA A 23 -5.790 6.367 -5.465 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.169 8.821 -4.636 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.664 8.255 -6.512 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.962 8.326 -7.027 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.752 6.751 -6.781 1.00 0.36 H new ATOM 384 N LYS A 24 -9.548 7.367 -4.314 1.00 0.59 N ATOM 385 CA LYS A 24 -10.607 6.741 -3.533 1.00 0.61 C ATOM 386 C LYS A 24 -11.715 6.217 -4.439 1.00 0.59 C ATOM 387 O LYS A 24 -11.897 6.701 -5.557 1.00 0.69 O ATOM 388 CB LYS A 24 -11.186 7.735 -2.526 1.00 0.74 C ATOM 389 CG LYS A 24 -11.546 9.078 -3.138 1.00 1.21 C ATOM 390 CD LYS A 24 -12.926 9.049 -3.776 1.00 1.22 C ATOM 391 CE LYS A 24 -13.309 10.409 -4.335 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.755 10.699 -4.138 1.00 2.11 N ATOM 0 H LYS A 24 -9.873 8.027 -5.021 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.174 5.899 -2.993 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -12.077 7.302 -2.071 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.463 7.892 -1.725 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.516 9.849 -2.368 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.803 9.348 -3.888 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.943 8.308 -4.575 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.664 8.737 -3.036 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -12.714 11.182 -3.850 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.072 10.445 -5.398 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.978 11.635 -4.532 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.323 9.975 -4.622 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.976 10.690 -3.122 1.00 2.11 H new ATOM 406 N PRO A 25 -12.474 5.215 -3.967 1.00 0.56 N ATOM 407 CA PRO A 25 -13.570 4.630 -4.739 1.00 0.63 C ATOM 408 C PRO A 25 -14.736 5.600 -4.893 1.00 0.75 C ATOM 409 O PRO A 25 -14.836 6.585 -4.163 1.00 0.89 O ATOM 410 CB PRO A 25 -14.006 3.417 -3.906 1.00 0.63 C ATOM 411 CG PRO A 25 -12.935 3.219 -2.887 1.00 0.71 C ATOM 412 CD PRO A 25 -12.331 4.571 -2.653 1.00 0.58 C ATOM 0 HA PRO A 25 -13.257 4.373 -5.751 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.970 3.595 -3.430 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.118 2.532 -4.533 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.346 2.810 -1.964 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.185 2.513 -3.242 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.857 5.121 -1.872 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.287 4.502 -2.346 1.00 0.58 H new ATOM 420 N GLU A 26 -15.618 5.311 -5.841 1.00 0.85 N ATOM 421 CA GLU A 26 -16.782 6.153 -6.086 1.00 1.05 C ATOM 422 C GLU A 26 -18.084 5.352 -5.991 1.00 0.95 C ATOM 423 O GLU A 26 -19.169 5.908 -6.162 1.00 1.12 O ATOM 424 CB GLU A 26 -16.681 6.811 -7.463 1.00 1.29 C ATOM 425 CG GLU A 26 -15.314 7.405 -7.757 1.00 1.83 C ATOM 426 CD GLU A 26 -14.900 7.224 -9.205 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.557 6.086 -9.586 1.00 2.77 O ATOM 428 OE2 GLU A 26 -14.918 8.222 -9.957 1.00 2.53 O ATOM 0 H GLU A 26 -15.549 4.499 -6.454 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.799 6.924 -5.316 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.918 6.071 -8.228 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.432 7.597 -7.536 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.324 8.468 -7.516 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.572 6.938 -7.109 1.00 1.83 H new ATOM 435 N TYR A 27 -17.979 4.049 -5.723 1.00 0.85 N ATOM 436 CA TYR A 27 -19.162 3.202 -5.617 1.00 0.84 C ATOM 437 C TYR A 27 -19.162 2.394 -4.321 1.00 0.86 C ATOM 438 O TYR A 27 -19.967 2.646 -3.424 1.00 1.37 O ATOM 439 CB TYR A 27 -19.252 2.261 -6.821 1.00 0.86 C ATOM 440 CG TYR A 27 -20.663 1.827 -7.144 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.455 2.570 -8.009 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.203 0.675 -6.586 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.745 2.180 -8.311 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.493 0.277 -6.883 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.262 1.027 -7.728 1.00 1.19 C ATOM 446 OH TYR A 27 -24.544 0.640 -8.044 1.00 1.35 O ATOM 0 H TYR A 27 -17.094 3.563 -5.577 1.00 0.85 H new ATOM 0 HA TYR A 27 -20.034 3.855 -5.605 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.825 2.757 -7.692 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.644 1.377 -6.627 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.055 3.469 -8.454 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.606 0.081 -5.910 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.346 2.764 -8.992 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.893 -0.627 -6.447 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.766 -0.183 -7.561 1.00 1.35 H new ATOM 456 N THR A 28 -18.264 1.414 -4.229 1.00 0.65 N ATOM 457 CA THR A 28 -18.172 0.565 -3.042 1.00 0.61 C ATOM 458 C THR A 28 -19.547 0.042 -2.645 1.00 0.66 C ATOM 459 O THR A 28 -20.000 0.265 -1.524 1.00 0.81 O ATOM 460 CB THR A 28 -17.561 1.333 -1.871 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.458 2.321 -1.396 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.261 2.021 -2.216 1.00 0.79 C ATOM 0 H THR A 28 -17.591 1.188 -4.961 1.00 0.65 H new ATOM 0 HA THR A 28 -17.527 -0.279 -3.287 1.00 0.61 H new ATOM 0 HB THR A 28 -17.361 0.581 -1.108 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.497 2.284 -0.417 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.884 2.547 -1.339 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.530 1.278 -2.536 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.430 2.735 -3.022 1.00 0.79 H new ATOM 470 N GLY A 29 -20.204 -0.651 -3.575 1.00 0.75 N ATOM 471 CA GLY A 29 -21.531 -1.198 -3.316 1.00 0.80 C ATOM 472 C GLY A 29 -22.419 -0.244 -2.532 1.00 0.85 C ATOM 473 O GLY A 29 -23.097 0.605 -3.111 1.00 1.01 O ATOM 0 H GLY A 29 -19.840 -0.845 -4.508 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.012 -1.438 -4.264 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.432 -2.132 -2.763 1.00 0.80 H new ATOM 477 N GLY A 30 -22.399 -0.381 -1.211 1.00 0.83 N ATOM 478 CA GLY A 30 -23.186 0.477 -0.347 1.00 0.89 C ATOM 479 C GLY A 30 -22.452 0.728 0.949 1.00 0.85 C ATOM 480 O GLY A 30 -23.058 0.861 2.013 1.00 0.98 O ATOM 0 H GLY A 30 -21.844 -1.081 -0.719 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.387 1.424 -0.848 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.151 0.013 -0.143 1.00 0.89 H new ATOM 484 N PHE A 31 -21.130 0.767 0.845 1.00 0.73 N ATOM 485 CA PHE A 31 -20.260 0.971 1.994 1.00 0.69 C ATOM 486 C PHE A 31 -19.418 2.235 1.837 1.00 0.67 C ATOM 487 O PHE A 31 -19.530 2.948 0.841 1.00 0.74 O ATOM 488 CB PHE A 31 -19.331 -0.238 2.163 1.00 0.63 C ATOM 489 CG PHE A 31 -19.764 -1.474 1.419 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.755 -2.299 1.928 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.175 -1.805 0.212 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.148 -3.433 1.244 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.564 -2.938 -0.477 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.574 -3.755 0.053 1.00 0.83 C ATOM 0 H PHE A 31 -20.632 0.658 -0.038 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.891 1.084 2.876 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.332 0.040 1.828 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.257 -0.476 3.224 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.225 -2.053 2.869 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.402 -1.171 -0.197 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.917 -4.069 1.658 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.094 -3.192 -1.416 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.895 -4.636 -0.482 1.00 0.83 H new ATOM 504 N LYS A 32 -18.569 2.505 2.829 1.00 0.68 N ATOM 505 CA LYS A 32 -17.705 3.684 2.794 1.00 0.72 C ATOM 506 C LYS A 32 -16.273 3.364 3.232 1.00 0.66 C ATOM 507 O LYS A 32 -15.439 4.263 3.326 1.00 0.74 O ATOM 508 CB LYS A 32 -18.271 4.788 3.686 1.00 0.86 C ATOM 509 CG LYS A 32 -17.675 6.158 3.401 1.00 1.38 C ATOM 510 CD LYS A 32 -17.482 6.963 4.677 1.00 1.38 C ATOM 511 CE LYS A 32 -16.367 6.390 5.536 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.890 5.783 6.790 1.00 2.26 N ATOM 0 H LYS A 32 -18.462 1.926 3.662 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.675 4.023 1.759 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -19.352 4.835 3.552 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.090 4.531 4.730 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.716 6.040 2.896 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.328 6.705 2.721 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.252 7.998 4.424 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.412 6.973 5.246 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.821 5.637 4.968 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.657 7.179 5.783 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.182 5.882 7.545 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.766 6.268 7.071 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.088 4.774 6.631 1.00 2.26 H new ATOM 526 N ILE A 33 -15.983 2.094 3.502 1.00 0.67 N ATOM 527 CA ILE A 33 -14.644 1.702 3.927 1.00 0.66 C ATOM 528 C ILE A 33 -14.260 2.415 5.223 1.00 0.80 C ATOM 529 O ILE A 33 -14.780 3.487 5.529 1.00 1.71 O ATOM 530 CB ILE A 33 -13.604 2.014 2.832 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.967 1.253 1.551 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.201 1.659 3.311 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.863 1.205 0.517 1.00 0.91 C ATOM 0 H ILE A 33 -16.651 1.326 3.435 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.653 0.626 4.103 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.615 3.082 2.615 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.245 0.233 1.816 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.846 1.717 1.104 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.480 1.886 2.525 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.962 2.241 4.201 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.156 0.596 3.549 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.205 0.648 -0.355 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.599 2.220 0.219 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.988 0.712 0.941 1.00 0.91 H new ATOM 545 N THR A 34 -13.350 1.812 5.987 1.00 0.72 N ATOM 546 CA THR A 34 -12.913 2.398 7.251 1.00 0.73 C ATOM 547 C THR A 34 -11.435 2.125 7.528 1.00 0.59 C ATOM 548 O THR A 34 -10.970 2.297 8.656 1.00 0.76 O ATOM 549 CB THR A 34 -13.765 1.852 8.398 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.341 0.550 8.758 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.239 1.780 8.066 1.00 1.15 C ATOM 0 H THR A 34 -12.904 0.924 5.754 1.00 0.72 H new ATOM 0 HA THR A 34 -13.041 3.478 7.176 1.00 0.73 H new ATOM 0 HB THR A 34 -13.629 2.554 9.221 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.896 0.217 9.494 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.786 1.384 8.922 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.608 2.778 7.829 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.387 1.126 7.207 1.00 1.15 H new ATOM 559 N SER A 35 -10.698 1.701 6.506 1.00 0.49 N ATOM 560 CA SER A 35 -9.274 1.409 6.664 1.00 0.47 C ATOM 561 C SER A 35 -8.646 0.997 5.340 1.00 0.45 C ATOM 562 O SER A 35 -9.199 0.174 4.615 1.00 0.72 O ATOM 563 CB SER A 35 -9.072 0.295 7.687 1.00 0.64 C ATOM 564 OG SER A 35 -7.714 0.199 8.079 1.00 1.58 O ATOM 0 H SER A 35 -11.059 1.552 5.564 1.00 0.49 H new ATOM 0 HA SER A 35 -8.787 2.319 7.013 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.693 0.485 8.562 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.399 -0.655 7.264 1.00 0.64 H new ATOM 0 HG SER A 35 -7.613 -0.521 8.736 1.00 1.58 H new ATOM 570 N TYR A 36 -7.484 1.568 5.036 1.00 0.27 N ATOM 571 CA TYR A 36 -6.775 1.253 3.802 1.00 0.28 C ATOM 572 C TYR A 36 -5.514 0.449 4.097 1.00 0.33 C ATOM 573 O TYR A 36 -4.517 0.986 4.570 1.00 0.68 O ATOM 574 CB TYR A 36 -6.428 2.535 3.051 1.00 0.29 C ATOM 575 CG TYR A 36 -7.643 3.314 2.598 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.706 2.675 1.974 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.726 4.686 2.795 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.819 3.382 1.559 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.835 5.401 2.384 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.878 4.744 1.766 1.00 0.60 C ATOM 581 OH TYR A 36 -10.986 5.452 1.355 1.00 0.76 O ATOM 0 H TYR A 36 -7.014 2.252 5.629 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.427 0.646 3.173 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.818 3.170 3.693 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.821 2.285 2.181 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.663 1.608 1.810 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.910 5.203 3.278 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.638 2.870 1.075 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.884 6.468 2.546 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.869 6.400 1.576 1.00 0.76 H new ATOM 591 N ILE A 37 -5.568 -0.844 3.809 1.00 0.24 N ATOM 592 CA ILE A 37 -4.429 -1.725 4.046 1.00 0.26 C ATOM 593 C ILE A 37 -3.456 -1.687 2.876 1.00 0.33 C ATOM 594 O ILE A 37 -3.849 -1.438 1.735 1.00 0.70 O ATOM 595 CB ILE A 37 -4.854 -3.194 4.278 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.223 -3.291 4.961 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.803 -3.912 5.112 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.751 -4.706 5.038 1.00 1.14 C ATOM 0 H ILE A 37 -6.385 -1.307 3.412 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.947 -1.353 4.950 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.938 -3.673 3.303 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.149 -2.882 5.969 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.938 -2.672 4.418 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.109 -4.946 5.271 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.847 -3.893 4.588 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.699 -3.412 6.075 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.723 -4.705 5.532 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.856 -5.110 4.031 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.055 -5.324 5.606 1.00 1.14 H new ATOM 610 N VAL A 38 -2.185 -1.942 3.165 1.00 0.36 N ATOM 611 CA VAL A 38 -1.153 -1.945 2.136 1.00 0.42 C ATOM 612 C VAL A 38 -0.294 -3.199 2.243 1.00 0.35 C ATOM 613 O VAL A 38 0.458 -3.361 3.204 1.00 0.48 O ATOM 614 CB VAL A 38 -0.238 -0.706 2.233 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.470 -0.458 0.907 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.029 0.521 2.660 1.00 0.46 C ATOM 0 H VAL A 38 -1.845 -2.149 4.104 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.667 -1.924 1.175 1.00 0.42 H new ATOM 0 HB VAL A 38 0.518 -0.900 2.994 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.110 0.420 0.995 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.077 -1.326 0.651 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.271 -0.290 0.125 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.362 1.381 2.721 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.813 0.721 1.929 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.480 0.342 3.636 1.00 0.46 H new ATOM 626 N GLU A 39 -0.401 -4.085 1.256 1.00 0.30 N ATOM 627 CA GLU A 39 0.381 -5.317 1.264 1.00 0.33 C ATOM 628 C GLU A 39 1.743 -5.075 0.620 1.00 0.32 C ATOM 629 O GLU A 39 1.859 -4.297 -0.327 1.00 0.43 O ATOM 630 CB GLU A 39 -0.380 -6.436 0.548 1.00 0.42 C ATOM 631 CG GLU A 39 -1.657 -6.850 1.259 1.00 0.51 C ATOM 632 CD GLU A 39 -1.809 -8.354 1.366 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.495 -9.055 0.381 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.245 -8.833 2.435 1.00 1.67 O ATOM 0 H GLU A 39 -1.015 -3.975 0.449 1.00 0.30 H new ATOM 0 HA GLU A 39 0.543 -5.630 2.295 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.626 -6.109 -0.462 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.272 -7.305 0.453 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.667 -6.416 2.259 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.514 -6.440 0.725 1.00 0.51 H new ATOM 641 N LYS A 40 2.778 -5.727 1.147 1.00 0.28 N ATOM 642 CA LYS A 40 4.130 -5.553 0.623 1.00 0.31 C ATOM 643 C LYS A 40 4.746 -6.870 0.169 1.00 0.29 C ATOM 644 O LYS A 40 4.578 -7.906 0.812 1.00 0.35 O ATOM 645 CB LYS A 40 5.031 -4.910 1.687 1.00 0.43 C ATOM 646 CG LYS A 40 4.688 -5.320 3.110 1.00 0.92 C ATOM 647 CD LYS A 40 5.927 -5.352 3.991 1.00 1.14 C ATOM 648 CE LYS A 40 6.046 -6.669 4.739 1.00 1.65 C ATOM 649 NZ LYS A 40 5.162 -6.711 5.936 1.00 1.97 N ATOM 0 H LYS A 40 2.707 -6.376 1.931 1.00 0.28 H new ATOM 0 HA LYS A 40 4.054 -4.901 -0.247 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.068 -5.177 1.482 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.959 -3.826 1.604 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.961 -4.622 3.526 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.218 -6.304 3.104 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.815 -5.200 3.377 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.888 -4.529 4.705 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.790 -7.491 4.070 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.081 -6.819 5.047 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 5.558 -7.370 6.637 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.096 -5.760 6.353 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 4.213 -7.032 5.656 1.00 1.97 H new ATOM 663 N ARG A 41 5.480 -6.813 -0.940 1.00 0.36 N ATOM 664 CA ARG A 41 6.149 -7.986 -1.481 1.00 0.40 C ATOM 665 C ARG A 41 7.655 -7.822 -1.347 1.00 0.41 C ATOM 666 O ARG A 41 8.256 -6.962 -1.998 1.00 0.43 O ATOM 667 CB ARG A 41 5.778 -8.208 -2.951 1.00 0.46 C ATOM 668 CG ARG A 41 6.231 -9.551 -3.496 1.00 0.58 C ATOM 669 CD ARG A 41 5.337 -10.026 -4.631 1.00 0.88 C ATOM 670 NE ARG A 41 5.218 -9.031 -5.693 1.00 0.95 N ATOM 671 CZ ARG A 41 4.683 -9.284 -6.884 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.217 -10.493 -7.163 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.608 -8.325 -7.795 1.00 1.44 N ATOM 0 H ARG A 41 5.625 -5.961 -1.481 1.00 0.36 H new ATOM 0 HA ARG A 41 5.822 -8.858 -0.915 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.697 -8.127 -3.060 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.220 -7.413 -3.553 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.259 -9.472 -3.850 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.226 -10.290 -2.695 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.739 -10.951 -5.045 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.346 -10.257 -4.239 1.00 0.88 H new ATOM 0 HE ARG A 41 5.565 -8.089 -5.511 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.268 -11.233 -6.463 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.807 -10.683 -8.078 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.961 -7.392 -7.583 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.198 -8.520 -8.708 1.00 1.44 H new ATOM 687 N ASP A 42 8.253 -8.643 -0.491 1.00 0.50 N ATOM 688 CA ASP A 42 9.689 -8.594 -0.254 1.00 0.57 C ATOM 689 C ASP A 42 10.450 -9.251 -1.396 1.00 0.62 C ATOM 690 O ASP A 42 10.603 -10.471 -1.433 1.00 0.91 O ATOM 691 CB ASP A 42 10.033 -9.294 1.057 1.00 0.71 C ATOM 692 CG ASP A 42 8.870 -10.094 1.607 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.114 -10.675 0.800 1.00 1.59 O ATOM 694 OD2 ASP A 42 8.713 -10.139 2.845 1.00 1.49 O ATOM 0 H ASP A 42 7.762 -9.353 0.052 1.00 0.50 H new ATOM 0 HA ASP A 42 9.984 -7.546 -0.193 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.884 -9.957 0.900 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.340 -8.551 1.793 1.00 0.71 H new ATOM 699 N LEU A 43 10.923 -8.436 -2.325 1.00 0.63 N ATOM 700 CA LEU A 43 11.669 -8.939 -3.471 1.00 0.68 C ATOM 701 C LEU A 43 13.123 -9.223 -3.090 1.00 0.81 C ATOM 702 O LEU A 43 13.651 -8.622 -2.154 1.00 0.90 O ATOM 703 CB LEU A 43 11.608 -7.931 -4.619 1.00 0.62 C ATOM 704 CG LEU A 43 10.252 -7.243 -4.793 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.236 -6.403 -6.060 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.134 -8.274 -4.823 1.00 0.70 C ATOM 0 H LEU A 43 10.804 -7.423 -2.309 1.00 0.63 H new ATOM 0 HA LEU A 43 11.214 -9.874 -3.796 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.369 -7.168 -4.456 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.863 -8.442 -5.547 1.00 0.62 H new ATOM 0 HG LEU A 43 10.090 -6.581 -3.942 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.263 -5.922 -6.166 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.013 -5.641 -6.001 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.420 -7.043 -6.923 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.176 -7.769 -4.947 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.293 -8.959 -5.655 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.130 -8.834 -3.888 1.00 0.70 H new ATOM 718 N PRO A 44 13.795 -10.148 -3.806 1.00 0.92 N ATOM 719 CA PRO A 44 13.212 -10.889 -4.926 1.00 0.99 C ATOM 720 C PRO A 44 12.471 -12.150 -4.483 1.00 1.15 C ATOM 721 O PRO A 44 12.120 -12.992 -5.310 1.00 1.43 O ATOM 722 CB PRO A 44 14.443 -11.258 -5.747 1.00 1.15 C ATOM 723 CG PRO A 44 15.519 -11.454 -4.731 1.00 1.25 C ATOM 724 CD PRO A 44 15.197 -10.540 -3.572 1.00 1.08 C ATOM 0 HA PRO A 44 12.463 -10.306 -5.463 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.276 -12.164 -6.329 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.702 -10.469 -6.453 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.558 -12.493 -4.405 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.496 -11.215 -5.152 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.314 -11.051 -2.616 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.856 -9.672 -3.553 1.00 1.08 H new ATOM 732 N ASN A 45 12.231 -12.276 -3.180 1.00 1.14 N ATOM 733 CA ASN A 45 11.528 -13.438 -2.648 1.00 1.33 C ATOM 734 C ASN A 45 10.028 -13.314 -2.887 1.00 1.43 C ATOM 735 O ASN A 45 9.494 -13.859 -3.852 1.00 2.42 O ATOM 736 CB ASN A 45 11.803 -13.592 -1.151 1.00 1.66 C ATOM 737 CG ASN A 45 13.103 -14.317 -0.868 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.109 -15.509 -0.563 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.214 -13.597 -0.967 1.00 1.89 N ATOM 0 H ASN A 45 12.511 -11.592 -2.478 1.00 1.14 H new ATOM 0 HA ASN A 45 11.895 -14.323 -3.168 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.833 -12.606 -0.688 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.980 -14.136 -0.688 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.120 -14.030 -0.787 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.162 -12.611 -1.223 1.00 1.89 H new ATOM 746 N GLY A 46 9.355 -12.587 -2.002 1.00 0.90 N ATOM 747 CA GLY A 46 7.923 -12.396 -2.131 1.00 1.12 C ATOM 748 C GLY A 46 7.166 -12.837 -0.895 1.00 0.76 C ATOM 749 O GLY A 46 7.531 -13.826 -0.258 1.00 0.96 O ATOM 0 H GLY A 46 9.777 -12.126 -1.196 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.716 -11.343 -2.324 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.561 -12.955 -2.994 1.00 1.12 H new ATOM 753 N ARG A 47 6.110 -12.102 -0.552 1.00 0.80 N ATOM 754 CA ARG A 47 5.300 -12.421 0.620 1.00 0.76 C ATOM 755 C ARG A 47 4.284 -11.320 0.903 1.00 0.85 C ATOM 756 O ARG A 47 4.253 -10.767 2.002 1.00 1.71 O ATOM 757 CB ARG A 47 6.193 -12.604 1.843 1.00 0.99 C ATOM 758 CG ARG A 47 7.183 -11.468 2.024 1.00 1.31 C ATOM 759 CD ARG A 47 6.756 -10.532 3.142 1.00 1.11 C ATOM 760 NE ARG A 47 7.840 -10.281 4.088 1.00 1.41 N ATOM 761 CZ ARG A 47 7.653 -9.826 5.323 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.427 -9.570 5.760 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.692 -9.626 6.121 1.00 2.03 N ATOM 0 H ARG A 47 5.796 -11.281 -1.070 1.00 0.80 H new ATOM 0 HA ARG A 47 4.765 -13.348 0.412 1.00 0.76 H new ATOM 0 HB2 ARG A 47 5.570 -12.682 2.734 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.738 -13.544 1.752 1.00 0.99 H new ATOM 0 HG2 ARG A 47 8.170 -11.875 2.245 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.271 -10.908 1.093 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.421 -9.587 2.715 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.906 -10.963 3.671 1.00 1.11 H new ATOM 0 HE ARG A 47 8.796 -10.465 3.783 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.625 -9.722 5.148 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.286 -9.221 6.708 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.636 -9.821 5.788 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.548 -9.277 7.068 1.00 2.03 H new ATOM 777 N TRP A 48 3.457 -11.007 -0.094 1.00 0.50 N ATOM 778 CA TRP A 48 2.429 -9.969 0.032 1.00 0.43 C ATOM 779 C TRP A 48 1.804 -9.958 1.427 1.00 0.45 C ATOM 780 O TRP A 48 1.030 -10.851 1.774 1.00 0.65 O ATOM 781 CB TRP A 48 1.316 -10.188 -0.992 1.00 0.47 C ATOM 782 CG TRP A 48 1.677 -9.812 -2.396 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.529 -10.594 -3.504 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.229 -8.568 -2.851 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.957 -9.918 -4.618 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.392 -8.675 -4.244 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.606 -7.376 -2.221 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.908 -7.640 -5.015 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.121 -6.350 -2.991 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.267 -6.491 -4.373 1.00 0.38 C ATOM 0 H TRP A 48 3.478 -11.461 -1.007 1.00 0.50 H new ATOM 0 HA TRP A 48 2.923 -9.014 -0.145 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.026 -11.239 -0.974 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.442 -9.611 -0.689 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.133 -11.599 -3.504 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.952 -10.282 -5.571 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.496 -7.260 -1.153 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.021 -7.742 -6.084 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.415 -5.425 -2.517 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.674 -5.671 -4.947 1.00 0.38 H new ATOM 801 N LEU A 49 2.139 -8.951 2.221 1.00 0.38 N ATOM 802 CA LEU A 49 1.600 -8.844 3.571 1.00 0.42 C ATOM 803 C LEU A 49 1.338 -7.391 3.942 1.00 0.36 C ATOM 804 O LEU A 49 2.152 -6.509 3.668 1.00 0.39 O ATOM 805 CB LEU A 49 2.556 -9.483 4.578 1.00 0.52 C ATOM 806 CG LEU A 49 1.934 -10.577 5.450 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.715 -10.043 6.189 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.558 -11.784 4.606 1.00 0.84 C ATOM 0 H LEU A 49 2.777 -8.200 1.957 1.00 0.38 H new ATOM 0 HA LEU A 49 0.650 -9.378 3.598 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.402 -9.907 4.036 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.952 -8.702 5.227 1.00 0.52 H new ATOM 0 HG LEU A 49 2.674 -10.890 6.187 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.286 -10.835 6.804 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.012 -9.210 6.826 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.027 -9.702 5.467 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.118 -12.551 5.243 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.836 -11.486 3.846 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.450 -12.182 4.123 1.00 0.84 H new ATOM 820 N LYS A 50 0.194 -7.148 4.569 1.00 0.40 N ATOM 821 CA LYS A 50 -0.180 -5.803 4.978 1.00 0.40 C ATOM 822 C LYS A 50 0.899 -5.173 5.851 1.00 0.47 C ATOM 823 O LYS A 50 1.029 -5.508 7.029 1.00 0.85 O ATOM 824 CB LYS A 50 -1.507 -5.828 5.737 1.00 0.59 C ATOM 825 CG LYS A 50 -1.480 -6.696 6.986 1.00 0.72 C ATOM 826 CD LYS A 50 -1.736 -5.873 8.237 1.00 1.03 C ATOM 827 CE LYS A 50 -3.102 -5.209 8.196 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.427 -4.527 9.478 1.00 1.30 N ATOM 0 H LYS A 50 -0.491 -7.866 4.805 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.291 -5.200 4.077 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.774 -4.809 6.019 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.290 -6.190 5.071 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.233 -7.479 6.903 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.512 -7.192 7.066 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.668 -6.514 9.116 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -0.963 -5.111 8.337 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.129 -4.484 7.382 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.864 -5.958 7.980 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.447 -4.325 9.515 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.167 -5.143 10.275 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.895 -3.636 9.542 1.00 1.30 H new ATOM 842 N ALA A 51 1.667 -4.255 5.272 1.00 0.45 N ATOM 843 CA ALA A 51 2.725 -3.578 6.011 1.00 0.63 C ATOM 844 C ALA A 51 2.137 -2.799 7.178 1.00 0.55 C ATOM 845 O ALA A 51 2.627 -2.877 8.304 1.00 0.72 O ATOM 846 CB ALA A 51 3.507 -2.650 5.094 1.00 0.86 C ATOM 0 H ALA A 51 1.577 -3.965 4.298 1.00 0.45 H new ATOM 0 HA ALA A 51 3.409 -4.330 6.403 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.293 -2.153 5.663 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.955 -3.229 4.286 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.835 -1.902 4.674 1.00 0.86 H new ATOM 852 N ASN A 52 1.075 -2.050 6.897 1.00 0.42 N ATOM 853 CA ASN A 52 0.407 -1.258 7.922 1.00 0.43 C ATOM 854 C ASN A 52 -0.288 -2.176 8.929 1.00 0.59 C ATOM 855 O ASN A 52 -1.204 -2.919 8.576 1.00 1.60 O ATOM 856 CB ASN A 52 -0.599 -0.296 7.269 1.00 0.38 C ATOM 857 CG ASN A 52 -1.616 0.273 8.247 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.428 1.357 8.798 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.699 -0.465 8.464 1.00 0.62 N ATOM 0 H ASN A 52 0.659 -1.975 5.968 1.00 0.42 H new ATOM 0 HA ASN A 52 1.149 -0.667 8.458 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.055 0.526 6.804 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.127 -0.820 6.472 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.417 -0.139 9.110 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.812 -1.358 7.984 1.00 0.62 H new ATOM 866 N PHE A 53 0.154 -2.116 10.180 1.00 0.81 N ATOM 867 CA PHE A 53 -0.423 -2.939 11.235 1.00 0.82 C ATOM 868 C PHE A 53 -1.129 -2.079 12.279 1.00 0.84 C ATOM 869 O PHE A 53 -0.941 -2.269 13.481 1.00 1.20 O ATOM 870 CB PHE A 53 0.663 -3.775 11.908 1.00 0.96 C ATOM 871 CG PHE A 53 0.167 -5.110 12.378 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.440 -5.982 11.490 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.302 -5.492 13.702 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.902 -7.210 11.912 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.159 -6.722 14.131 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.762 -7.583 13.235 1.00 1.96 C ATOM 0 H PHE A 53 0.911 -1.505 10.488 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.158 -3.601 10.778 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.485 -3.925 11.208 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.065 -3.223 12.758 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.553 -5.696 10.455 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.772 -4.822 14.406 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.373 -7.881 11.209 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.048 -7.010 15.166 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.123 -8.545 13.568 1.00 1.96 H new ATOM 886 N SER A 54 -1.939 -1.134 11.816 1.00 0.79 N ATOM 887 CA SER A 54 -2.668 -0.249 12.718 1.00 0.89 C ATOM 888 C SER A 54 -3.988 0.196 12.097 1.00 0.95 C ATOM 889 O SER A 54 -5.038 -0.391 12.361 1.00 1.89 O ATOM 890 CB SER A 54 -1.815 0.972 13.067 1.00 1.00 C ATOM 891 OG SER A 54 -2.589 1.968 13.713 1.00 1.71 O ATOM 0 H SER A 54 -2.107 -0.961 10.825 1.00 0.79 H new ATOM 0 HA SER A 54 -2.888 -0.802 13.631 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.991 0.671 13.714 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.373 1.382 12.159 1.00 1.00 H new ATOM 0 HG SER A 54 -2.020 2.737 13.927 1.00 1.71 H new ATOM 897 N ASN A 55 -3.931 1.236 11.273 1.00 0.75 N ATOM 898 CA ASN A 55 -5.123 1.759 10.616 1.00 0.69 C ATOM 899 C ASN A 55 -4.755 2.847 9.615 1.00 0.66 C ATOM 900 O ASN A 55 -3.795 3.591 9.816 1.00 1.05 O ATOM 901 CB ASN A 55 -6.105 2.307 11.653 1.00 0.84 C ATOM 902 CG ASN A 55 -7.524 1.825 11.418 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.076 1.073 12.221 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.119 2.257 10.314 1.00 0.83 N ATOM 0 H ASN A 55 -3.071 1.734 11.044 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.601 0.942 10.076 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.782 2.006 12.650 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.085 3.397 11.628 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.073 1.966 10.102 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.622 2.880 9.677 1.00 0.83 H new ATOM 911 N ILE A 56 -5.522 2.936 8.535 1.00 0.40 N ATOM 912 CA ILE A 56 -5.272 3.932 7.502 1.00 0.33 C ATOM 913 C ILE A 56 -6.575 4.492 6.946 1.00 0.31 C ATOM 914 O ILE A 56 -6.985 4.150 5.836 1.00 0.53 O ATOM 915 CB ILE A 56 -4.451 3.332 6.347 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.217 2.610 6.896 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.056 4.415 5.354 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.255 2.129 5.827 1.00 0.69 C ATOM 0 H ILE A 56 -6.322 2.330 8.352 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.707 4.740 7.967 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.066 2.603 5.819 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.687 3.282 7.571 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.543 1.755 7.488 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.476 3.972 4.544 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.954 4.879 4.946 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.455 5.171 5.860 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.409 1.629 6.298 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.767 1.431 5.165 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.897 2.981 5.249 1.00 0.69 H new ATOM 930 N LEU A 57 -7.222 5.357 7.720 1.00 0.44 N ATOM 931 CA LEU A 57 -8.477 5.964 7.297 1.00 0.45 C ATOM 932 C LEU A 57 -8.287 6.751 6.008 1.00 0.42 C ATOM 933 O LEU A 57 -9.004 6.541 5.029 1.00 0.60 O ATOM 934 CB LEU A 57 -9.022 6.883 8.393 1.00 0.48 C ATOM 935 CG LEU A 57 -10.426 7.437 8.134 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.368 8.593 7.147 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.348 6.341 7.620 1.00 0.72 C ATOM 0 H LEU A 57 -6.898 5.652 8.641 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.196 5.165 7.115 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.032 6.334 9.335 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.335 7.720 8.519 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.828 7.808 9.077 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.374 8.975 6.974 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.743 9.388 7.554 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.945 8.246 6.204 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.341 6.754 7.442 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.950 5.938 6.689 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.414 5.544 8.361 1.00 0.72 H new ATOM 949 N GLU A 58 -7.314 7.655 6.011 1.00 0.39 N ATOM 950 CA GLU A 58 -7.026 8.467 4.841 1.00 0.43 C ATOM 951 C GLU A 58 -6.193 7.675 3.847 1.00 0.51 C ATOM 952 O GLU A 58 -5.580 6.667 4.198 1.00 1.09 O ATOM 953 CB GLU A 58 -6.293 9.749 5.242 1.00 0.44 C ATOM 954 CG GLU A 58 -4.970 9.502 5.951 1.00 0.44 C ATOM 955 CD GLU A 58 -4.799 10.365 7.186 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.649 10.274 8.096 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.814 11.131 7.242 1.00 1.29 O ATOM 0 H GLU A 58 -6.712 7.842 6.813 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.970 8.743 4.371 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.110 10.347 4.349 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.939 10.338 5.893 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.905 8.452 6.235 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.150 9.697 5.260 1.00 0.44 H new ATOM 964 N ASN A 59 -6.177 8.134 2.606 1.00 0.31 N ATOM 965 CA ASN A 59 -5.420 7.461 1.558 1.00 0.28 C ATOM 966 C ASN A 59 -3.936 7.839 1.592 1.00 0.28 C ATOM 967 O ASN A 59 -3.171 7.443 0.712 1.00 0.49 O ATOM 968 CB ASN A 59 -6.014 7.779 0.188 1.00 0.32 C ATOM 969 CG ASN A 59 -6.023 9.266 -0.101 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.627 10.075 0.737 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.478 9.637 -1.293 1.00 0.91 N ATOM 0 H ASN A 59 -6.678 8.968 2.298 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.491 6.389 1.741 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.441 7.264 -0.583 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.033 7.395 0.138 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.508 10.626 -1.542 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.797 8.933 -1.959 1.00 0.91 H new ATOM 978 N GLU A 60 -3.529 8.597 2.609 1.00 0.29 N ATOM 979 CA GLU A 60 -2.137 9.005 2.747 1.00 0.29 C ATOM 980 C GLU A 60 -1.485 8.221 3.877 1.00 0.27 C ATOM 981 O GLU A 60 -1.731 8.494 5.052 1.00 0.35 O ATOM 982 CB GLU A 60 -2.044 10.507 3.025 1.00 0.34 C ATOM 983 CG GLU A 60 -0.642 10.974 3.382 1.00 0.49 C ATOM 984 CD GLU A 60 -0.627 12.362 3.992 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.529 13.345 3.226 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.712 12.468 5.233 1.00 2.05 O ATOM 0 H GLU A 60 -4.144 8.939 3.347 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.613 8.795 1.815 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.387 11.053 2.146 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.721 10.760 3.841 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.196 10.268 4.083 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.022 10.968 2.486 1.00 0.49 H new ATOM 993 N PHE A 61 -0.663 7.238 3.524 1.00 0.24 N ATOM 994 CA PHE A 61 -0.001 6.417 4.533 1.00 0.24 C ATOM 995 C PHE A 61 1.458 6.150 4.190 1.00 0.24 C ATOM 996 O PHE A 61 1.886 6.335 3.051 1.00 0.25 O ATOM 997 CB PHE A 61 -0.735 5.085 4.693 1.00 0.28 C ATOM 998 CG PHE A 61 -0.109 4.184 5.717 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.879 3.284 5.350 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.510 4.228 7.044 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.454 2.448 6.287 1.00 0.44 C ATOM 1002 CE2 PHE A 61 0.060 3.398 7.977 1.00 0.48 C ATOM 1003 CZ PHE A 61 1.053 2.527 7.616 1.00 0.48 C ATOM 0 H PHE A 61 -0.441 6.992 2.559 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.030 6.975 5.469 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.770 5.279 4.974 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.757 4.572 3.732 1.00 0.28 H new ATOM 0 HD1 PHE A 61 1.203 3.236 4.321 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.279 4.923 7.347 1.00 0.41 H new ATOM 0 HE1 PHE A 61 2.211 1.737 5.989 1.00 0.44 H new ATOM 0 HE2 PHE A 61 -0.277 3.432 9.003 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.523 1.903 8.362 1.00 0.48 H new ATOM 1013 N THR A 62 2.213 5.708 5.192 1.00 0.25 N ATOM 1014 CA THR A 62 3.619 5.404 5.016 1.00 0.27 C ATOM 1015 C THR A 62 3.925 3.960 5.389 1.00 0.29 C ATOM 1016 O THR A 62 3.938 3.598 6.565 1.00 0.35 O ATOM 1017 CB THR A 62 4.482 6.354 5.845 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.329 7.691 5.400 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.958 6.021 5.796 1.00 0.37 C ATOM 0 H THR A 62 1.866 5.553 6.139 1.00 0.25 H new ATOM 0 HA THR A 62 3.856 5.540 3.961 1.00 0.27 H new ATOM 0 HB THR A 62 4.133 6.237 6.871 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.889 8.283 5.945 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.512 6.734 6.406 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.117 5.014 6.181 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.309 6.075 4.765 1.00 0.37 H new ATOM 1027 N VAL A 63 4.176 3.143 4.374 1.00 0.31 N ATOM 1028 CA VAL A 63 4.493 1.737 4.588 1.00 0.36 C ATOM 1029 C VAL A 63 5.885 1.591 5.176 1.00 0.38 C ATOM 1030 O VAL A 63 6.877 1.566 4.445 1.00 0.50 O ATOM 1031 CB VAL A 63 4.424 0.919 3.289 1.00 0.44 C ATOM 1032 CG1 VAL A 63 2.987 0.550 2.955 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.058 1.694 2.163 1.00 1.08 C ATOM 0 H VAL A 63 4.166 3.430 3.395 1.00 0.31 H new ATOM 0 HA VAL A 63 3.744 1.352 5.280 1.00 0.36 H new ATOM 0 HB VAL A 63 4.977 -0.009 3.429 1.00 0.44 H new ATOM 0 HG11 VAL A 63 2.965 -0.029 2.031 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.566 -0.045 3.766 1.00 0.58 H new ATOM 0 HG13 VAL A 63 2.398 1.458 2.828 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.006 1.109 1.245 1.00 1.08 H new ATOM 0 HG22 VAL A 63 4.526 2.635 2.024 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.101 1.899 2.404 1.00 1.08 H new ATOM 1043 N SER A 64 5.961 1.496 6.494 1.00 0.49 N ATOM 1044 CA SER A 64 7.245 1.353 7.156 1.00 0.55 C ATOM 1045 C SER A 64 7.503 -0.090 7.538 1.00 0.63 C ATOM 1046 O SER A 64 6.580 -0.886 7.712 1.00 0.99 O ATOM 1047 CB SER A 64 7.320 2.222 8.405 1.00 0.63 C ATOM 1048 OG SER A 64 8.653 2.331 8.873 1.00 1.33 O ATOM 0 H SER A 64 5.156 1.515 7.120 1.00 0.49 H new ATOM 0 HA SER A 64 8.008 1.679 6.449 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.927 3.214 8.185 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.691 1.796 9.186 1.00 0.63 H new ATOM 0 HG SER A 64 8.673 2.895 9.674 1.00 1.33 H new ATOM 1054 N GLY A 65 8.773 -0.405 7.666 1.00 0.71 N ATOM 1055 CA GLY A 65 9.179 -1.747 8.032 1.00 0.78 C ATOM 1056 C GLY A 65 10.013 -2.408 6.957 1.00 0.72 C ATOM 1057 O GLY A 65 10.094 -3.634 6.888 1.00 0.90 O ATOM 0 H GLY A 65 9.543 0.248 7.523 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.749 -1.711 8.960 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.293 -2.352 8.225 1.00 0.78 H new ATOM 1061 N LEU A 66 10.633 -1.590 6.113 1.00 0.64 N ATOM 1062 CA LEU A 66 11.460 -2.093 5.033 1.00 0.65 C ATOM 1063 C LEU A 66 12.882 -2.355 5.513 1.00 0.59 C ATOM 1064 O LEU A 66 13.171 -2.275 6.707 1.00 0.65 O ATOM 1065 CB LEU A 66 11.470 -1.084 3.881 1.00 0.74 C ATOM 1066 CG LEU A 66 10.118 -0.421 3.564 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.955 -1.376 3.807 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.942 0.859 4.364 1.00 0.89 C ATOM 0 H LEU A 66 10.575 -0.573 6.160 1.00 0.64 H new ATOM 0 HA LEU A 66 11.041 -3.037 4.685 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.192 -0.301 4.114 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.826 -1.589 2.983 1.00 0.74 H new ATOM 0 HG LEU A 66 10.118 -0.165 2.504 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.017 -0.874 3.573 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.066 -2.254 3.170 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.950 -1.685 4.852 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.979 1.309 4.123 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.979 0.630 5.429 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.741 1.557 4.115 1.00 0.89 H new ATOM 1080 N THR A 67 13.764 -2.670 4.575 1.00 0.65 N ATOM 1081 CA THR A 67 15.158 -2.945 4.898 1.00 0.69 C ATOM 1082 C THR A 67 16.069 -2.518 3.754 1.00 0.72 C ATOM 1083 O THR A 67 15.995 -3.063 2.653 1.00 1.06 O ATOM 1084 CB THR A 67 15.355 -4.432 5.196 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.633 -4.811 6.356 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.803 -4.812 5.413 1.00 0.99 C ATOM 0 H THR A 67 13.539 -2.742 3.583 1.00 0.65 H new ATOM 0 HA THR A 67 15.421 -2.370 5.786 1.00 0.69 H new ATOM 0 HB THR A 67 14.987 -4.955 4.313 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.770 -5.766 6.529 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.872 -5.880 5.620 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.379 -4.578 4.518 1.00 0.99 H new ATOM 0 HG23 THR A 67 17.203 -4.252 6.258 1.00 0.99 H new ATOM 1094 N GLU A 68 16.930 -1.539 4.025 1.00 0.66 N ATOM 1095 CA GLU A 68 17.863 -1.028 3.023 1.00 0.67 C ATOM 1096 C GLU A 68 18.474 -2.158 2.197 1.00 0.60 C ATOM 1097 O GLU A 68 18.843 -3.204 2.733 1.00 0.69 O ATOM 1098 CB GLU A 68 18.974 -0.232 3.710 1.00 0.76 C ATOM 1099 CG GLU A 68 19.327 1.063 3.001 1.00 0.96 C ATOM 1100 CD GLU A 68 20.081 2.029 3.893 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.641 1.581 4.916 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.111 3.235 3.569 1.00 1.89 O ATOM 0 H GLU A 68 17.001 -1.082 4.934 1.00 0.66 H new ATOM 0 HA GLU A 68 17.307 -0.379 2.346 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.667 -0.005 4.731 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.867 -0.854 3.776 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.931 0.839 2.122 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.413 1.540 2.646 1.00 0.96 H new ATOM 1109 N ASP A 69 18.577 -1.940 0.889 1.00 0.52 N ATOM 1110 CA ASP A 69 19.143 -2.936 -0.018 1.00 0.49 C ATOM 1111 C ASP A 69 18.154 -4.068 -0.276 1.00 0.44 C ATOM 1112 O ASP A 69 18.511 -5.244 -0.207 1.00 0.54 O ATOM 1113 CB ASP A 69 20.448 -3.502 0.550 1.00 0.59 C ATOM 1114 CG ASP A 69 21.468 -3.799 -0.531 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.651 -2.946 -1.425 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.084 -4.884 -0.484 1.00 1.66 O ATOM 0 H ASP A 69 18.275 -1.080 0.432 1.00 0.52 H new ATOM 0 HA ASP A 69 19.355 -2.440 -0.965 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.871 -2.791 1.259 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.234 -4.416 1.104 1.00 0.59 H new ATOM 1121 N ALA A 70 16.911 -3.706 -0.576 1.00 0.40 N ATOM 1122 CA ALA A 70 15.873 -4.693 -0.849 1.00 0.40 C ATOM 1123 C ALA A 70 14.670 -4.047 -1.523 1.00 0.35 C ATOM 1124 O ALA A 70 14.057 -3.131 -0.975 1.00 0.36 O ATOM 1125 CB ALA A 70 15.449 -5.385 0.435 1.00 0.49 C ATOM 0 H ALA A 70 16.598 -2.737 -0.636 1.00 0.40 H new ATOM 0 HA ALA A 70 16.285 -5.438 -1.530 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.674 -6.119 0.214 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.309 -5.888 0.878 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.060 -4.646 1.135 1.00 0.49 H new ATOM 1131 N ALA A 71 14.338 -4.529 -2.715 1.00 0.33 N ATOM 1132 CA ALA A 71 13.208 -3.996 -3.462 1.00 0.30 C ATOM 1133 C ALA A 71 11.890 -4.410 -2.829 1.00 0.27 C ATOM 1134 O ALA A 71 11.649 -5.589 -2.574 1.00 0.36 O ATOM 1135 CB ALA A 71 13.273 -4.440 -4.913 1.00 0.34 C ATOM 0 H ALA A 71 14.835 -5.287 -3.183 1.00 0.33 H new ATOM 0 HA ALA A 71 13.264 -2.908 -3.432 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.421 -4.033 -5.457 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.197 -4.078 -5.363 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.248 -5.529 -4.962 1.00 0.34 H new ATOM 1141 N TYR A 72 11.046 -3.421 -2.569 1.00 0.24 N ATOM 1142 CA TYR A 72 9.753 -3.660 -1.949 1.00 0.24 C ATOM 1143 C TYR A 72 8.598 -3.107 -2.784 1.00 0.21 C ATOM 1144 O TYR A 72 8.587 -1.929 -3.143 1.00 0.23 O ATOM 1145 CB TYR A 72 9.727 -3.011 -0.570 1.00 0.30 C ATOM 1146 CG TYR A 72 10.482 -3.778 0.485 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.905 -4.862 1.141 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.780 -3.421 0.819 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.609 -5.562 2.104 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.489 -4.113 1.775 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.847 -5.202 2.443 1.00 0.46 C ATOM 1152 OH TYR A 72 12.604 -5.878 3.375 1.00 0.56 O ATOM 0 H TYR A 72 11.236 -2.441 -2.780 1.00 0.24 H new ATOM 0 HA TYR A 72 9.621 -4.739 -1.872 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.146 -2.008 -0.644 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.690 -2.900 -0.252 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.896 -5.160 0.895 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.244 -2.583 0.319 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.150 -6.411 2.588 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.506 -3.840 2.015 1.00 0.42 H new ATOM 0 HH TYR A 72 13.489 -6.070 3.001 1.00 0.56 H new ATOM 1162 N GLU A 73 7.617 -3.961 -3.067 1.00 0.21 N ATOM 1163 CA GLU A 73 6.439 -3.558 -3.836 1.00 0.21 C ATOM 1164 C GLU A 73 5.283 -3.286 -2.872 1.00 0.23 C ATOM 1165 O GLU A 73 5.202 -3.922 -1.821 1.00 0.32 O ATOM 1166 CB GLU A 73 6.064 -4.655 -4.835 1.00 0.25 C ATOM 1167 CG GLU A 73 5.325 -4.142 -6.061 1.00 0.65 C ATOM 1168 CD GLU A 73 6.257 -3.825 -7.210 1.00 0.68 C ATOM 1169 OE1 GLU A 73 7.195 -4.614 -7.450 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.049 -2.788 -7.873 1.00 1.50 O ATOM 0 H GLU A 73 7.613 -4.938 -2.775 1.00 0.21 H new ATOM 0 HA GLU A 73 6.657 -2.649 -4.397 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.971 -5.166 -5.157 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.443 -5.395 -4.331 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.599 -4.889 -6.382 1.00 0.65 H new ATOM 0 HG3 GLU A 73 4.764 -3.246 -5.795 1.00 0.65 H new ATOM 1177 N PHE A 74 4.395 -2.339 -3.193 1.00 0.22 N ATOM 1178 CA PHE A 74 3.287 -2.043 -2.260 1.00 0.28 C ATOM 1179 C PHE A 74 1.920 -1.849 -2.921 1.00 0.25 C ATOM 1180 O PHE A 74 1.709 -0.900 -3.672 1.00 0.30 O ATOM 1181 CB PHE A 74 3.597 -0.786 -1.441 1.00 0.39 C ATOM 1182 CG PHE A 74 4.997 -0.719 -0.909 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.487 -1.712 -0.080 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.821 0.343 -1.238 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.777 -1.648 0.410 1.00 0.49 C ATOM 1186 CE2 PHE A 74 7.109 0.412 -0.750 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.587 -0.581 0.072 1.00 0.53 C ATOM 0 H PHE A 74 4.411 -1.784 -4.048 1.00 0.22 H new ATOM 0 HA PHE A 74 3.217 -2.931 -1.632 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.416 0.091 -2.063 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.901 -0.733 -0.604 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.855 -2.546 0.187 1.00 0.42 H new ATOM 0 HD2 PHE A 74 5.452 1.126 -1.884 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.151 -2.429 1.055 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.742 1.246 -1.014 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.596 -0.527 0.454 1.00 0.53 H new ATOM 1197 N ARG A 75 0.976 -2.733 -2.588 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.392 -2.636 -3.105 1.00 0.34 C ATOM 1199 C ARG A 75 -1.312 -2.178 -1.985 1.00 0.31 C ATOM 1200 O ARG A 75 -0.891 -2.110 -0.833 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.891 -3.972 -3.656 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.974 -5.075 -2.621 1.00 0.94 C ATOM 1203 CD ARG A 75 0.044 -6.159 -2.909 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.443 -7.156 -3.860 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.441 -7.994 -3.604 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.059 -7.956 -2.432 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.821 -8.875 -4.519 1.00 1.87 N ATOM 0 H ARG A 75 1.133 -3.524 -1.963 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.394 -1.918 -3.925 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.878 -3.826 -4.096 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.228 -4.292 -4.460 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -0.801 -4.662 -1.627 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.977 -5.503 -2.618 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.953 -5.703 -3.302 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.314 -6.655 -1.976 1.00 1.08 H new ATOM 0 HE ARG A 75 0.009 -7.211 -4.772 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -1.768 -7.282 -1.724 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.825 -8.601 -2.238 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.347 -8.910 -5.421 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.588 -9.518 -4.321 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.559 -1.858 -2.310 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.490 -1.401 -1.283 1.00 0.39 C ATOM 1223 C VAL A 76 -4.790 -2.207 -1.255 1.00 0.31 C ATOM 1224 O VAL A 76 -5.642 -2.072 -2.133 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.817 0.106 -1.448 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.929 0.548 -0.501 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.568 0.943 -1.216 1.00 0.54 C ATOM 0 H VAL A 76 -2.944 -1.904 -3.254 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.982 -1.559 -0.332 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.169 0.259 -2.468 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.130 1.609 -0.646 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.833 -0.024 -0.709 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.619 0.375 0.530 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.810 1.999 -1.335 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.195 0.768 -0.207 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.803 0.663 -1.940 1.00 0.54 H new ATOM 1237 N ILE A 77 -4.940 -3.014 -0.208 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.129 -3.814 -0.004 1.00 0.31 C ATOM 1239 C ILE A 77 -6.968 -3.125 1.067 1.00 0.30 C ATOM 1240 O ILE A 77 -6.422 -2.625 2.046 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.765 -5.249 0.450 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.191 -6.053 -0.712 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -6.972 -5.964 1.031 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.850 -7.479 -0.341 1.00 0.42 C ATOM 0 H ILE A 77 -4.235 -3.127 0.520 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.683 -3.899 -0.939 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.007 -5.166 1.229 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.911 -6.060 -1.531 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.294 -5.556 -1.081 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.685 -6.969 1.341 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.343 -5.410 1.894 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.756 -6.027 0.276 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.447 -7.995 -1.212 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.108 -7.480 0.457 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.750 -7.991 -0.000 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.279 -3.085 0.894 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.119 -2.426 1.890 1.00 0.30 C ATOM 1258 C ALA A 78 -10.526 -2.985 1.907 1.00 0.34 C ATOM 1259 O ALA A 78 -11.170 -3.085 0.873 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.159 -0.928 1.639 1.00 0.39 C ATOM 0 H ALA A 78 -8.777 -3.487 0.099 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.675 -2.619 2.866 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.789 -0.450 2.389 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.149 -0.522 1.701 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.567 -0.736 0.647 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.003 -3.336 3.091 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.346 -3.871 3.227 1.00 0.43 C ATOM 1268 C LYS A 79 -13.371 -2.751 3.186 1.00 0.59 C ATOM 1269 O LYS A 79 -13.024 -1.581 3.022 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.499 -4.647 4.531 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.806 -5.996 4.547 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.324 -6.861 5.683 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.133 -8.341 5.394 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.097 -9.151 6.644 1.00 1.98 N ATOM 0 H LYS A 79 -10.483 -3.260 3.965 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.516 -4.550 2.392 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.106 -4.041 5.347 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.561 -4.796 4.728 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.968 -6.503 3.596 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.730 -5.855 4.654 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.805 -6.600 6.605 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.382 -6.655 5.844 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.943 -8.694 4.756 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.205 -8.486 4.841 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.965 -10.154 6.404 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.308 -8.832 7.242 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.992 -9.033 7.160 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.635 -3.115 3.338 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.711 -2.142 3.322 1.00 0.70 C ATOM 1290 C ASN A 80 -16.612 -2.312 4.537 1.00 0.87 C ATOM 1291 O ASN A 80 -16.475 -3.268 5.299 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.540 -2.291 2.052 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.852 -1.701 0.842 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.320 -0.722 0.265 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.731 -2.292 0.452 1.00 2.05 N ATOM 0 H ASN A 80 -14.939 -4.079 3.474 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.266 -1.148 3.349 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.740 -3.348 1.874 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.505 -1.803 2.192 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.221 -1.936 -0.357 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.378 -3.103 0.961 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.537 -1.378 4.702 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.481 -1.406 5.815 1.00 0.82 C ATOM 1304 C ALA A 81 -19.052 -2.805 6.039 1.00 0.88 C ATOM 1305 O ALA A 81 -19.424 -3.158 7.157 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.610 -0.419 5.564 1.00 0.83 C ATOM 0 H ALA A 81 -17.656 -0.583 4.074 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.939 -1.120 6.716 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.310 -0.446 6.399 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.200 0.586 5.467 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.131 -0.688 4.645 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.132 -3.596 4.972 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.674 -4.949 5.073 1.00 0.90 C ATOM 1314 C ALA A 82 -18.608 -6.013 4.844 1.00 0.88 C ATOM 1315 O ALA A 82 -18.891 -7.071 4.284 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.818 -5.132 4.089 1.00 0.94 C ATOM 0 H ALA A 82 -18.831 -3.327 4.035 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.047 -5.075 6.089 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.213 -6.144 4.174 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.608 -4.414 4.312 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.455 -4.969 3.074 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.383 -5.736 5.286 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.301 -6.693 5.121 1.00 0.86 C ATOM 1324 C GLY A 83 -16.290 -7.346 3.751 1.00 0.78 C ATOM 1325 O GLY A 83 -15.996 -8.535 3.623 1.00 0.93 O ATOM 0 H GLY A 83 -17.121 -4.869 5.754 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.349 -6.188 5.284 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.387 -7.466 5.885 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.612 -6.563 2.724 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.641 -7.067 1.351 1.00 0.78 C ATOM 1331 C ALA A 84 -15.244 -7.119 0.721 1.00 0.76 C ATOM 1332 O ALA A 84 -15.105 -7.379 -0.475 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.572 -6.209 0.509 1.00 0.92 C ATOM 0 H ALA A 84 -16.857 -5.577 2.815 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.014 -8.091 1.381 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.591 -6.588 -0.513 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.578 -6.245 0.928 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.216 -5.179 0.508 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.217 -6.876 1.532 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.827 -6.894 1.084 1.00 0.40 C ATOM 1341 C ILE A 85 -12.638 -6.363 -0.333 1.00 0.38 C ATOM 1342 O ILE A 85 -12.813 -7.080 -1.317 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.197 -8.302 1.205 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.673 -8.207 1.072 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.771 -9.260 0.170 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.934 -8.532 2.352 1.00 0.79 C ATOM 0 H ILE A 85 -14.326 -6.660 2.523 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.306 -6.214 1.758 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.442 -8.701 2.189 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.342 -8.887 0.288 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.406 -7.199 0.754 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.306 -10.239 0.284 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.848 -9.350 0.315 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.571 -8.877 -0.831 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.860 -8.445 2.185 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.237 -7.836 3.134 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.171 -9.550 2.661 1.00 0.79 H new ATOM 1358 N SER A 86 -12.250 -5.095 -0.425 1.00 0.39 N ATOM 1359 CA SER A 86 -12.004 -4.485 -1.725 1.00 0.45 C ATOM 1360 C SER A 86 -10.663 -4.996 -2.256 1.00 0.44 C ATOM 1361 O SER A 86 -9.616 -4.754 -1.635 1.00 0.43 O ATOM 1362 CB SER A 86 -12.005 -2.949 -1.642 1.00 0.54 C ATOM 1363 OG SER A 86 -10.691 -2.425 -1.609 1.00 0.59 O ATOM 0 H SER A 86 -12.101 -4.478 0.373 1.00 0.39 H new ATOM 0 HA SER A 86 -12.808 -4.765 -2.406 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.539 -2.539 -2.499 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.545 -2.633 -0.749 1.00 0.54 H new ATOM 0 HG SER A 86 -10.343 -2.473 -0.694 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.675 -5.724 -3.393 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.475 -6.292 -3.995 1.00 0.61 C ATOM 1371 C PRO A 87 -8.240 -5.409 -3.834 1.00 0.54 C ATOM 1372 O PRO A 87 -8.351 -4.202 -3.620 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.840 -6.424 -5.475 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.336 -6.364 -5.554 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.869 -6.066 -4.175 1.00 0.59 C ATOM 0 HA PRO A 87 -9.205 -7.233 -3.516 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.389 -5.622 -6.058 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.468 -7.363 -5.884 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.649 -5.592 -6.257 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.736 -7.310 -5.920 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.582 -5.242 -4.193 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.388 -6.927 -3.754 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.039 -6.007 -3.940 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.779 -5.275 -3.809 1.00 0.56 C ATOM 1385 C PRO A 88 -5.550 -4.311 -4.965 1.00 0.48 C ATOM 1386 O PRO A 88 -5.881 -4.611 -6.112 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.700 -6.369 -3.821 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.425 -7.665 -3.673 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.813 -7.439 -4.198 1.00 0.72 C ATOM 0 HA PRO A 88 -5.770 -4.665 -2.906 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.130 -6.345 -4.750 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.989 -6.225 -3.007 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.923 -8.456 -4.230 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.451 -7.978 -2.629 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.885 -7.674 -5.260 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.545 -8.062 -3.683 1.00 0.72 H new ATOM 1397 N SER A 89 -4.978 -3.156 -4.653 1.00 0.43 N ATOM 1398 CA SER A 89 -4.695 -2.148 -5.664 1.00 0.42 C ATOM 1399 C SER A 89 -3.282 -2.331 -6.206 1.00 0.35 C ATOM 1400 O SER A 89 -2.316 -2.239 -5.449 1.00 0.51 O ATOM 1401 CB SER A 89 -4.856 -0.748 -5.071 1.00 0.56 C ATOM 1402 OG SER A 89 -6.168 -0.557 -4.572 1.00 1.28 O ATOM 0 H SER A 89 -4.701 -2.894 -3.707 1.00 0.43 H new ATOM 0 HA SER A 89 -5.403 -2.264 -6.485 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.133 -0.604 -4.268 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.640 0.001 -5.833 1.00 0.56 H new ATOM 0 HG SER A 89 -6.255 -1.002 -3.703 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.189 -2.598 -7.520 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.913 -2.819 -8.230 1.00 0.37 C ATOM 1410 C GLU A 90 -0.698 -2.260 -7.476 1.00 0.34 C ATOM 1411 O GLU A 90 -0.483 -1.047 -7.446 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.984 -2.189 -9.622 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.833 -2.982 -10.604 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.829 -2.382 -11.996 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.748 -2.337 -12.621 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -3.906 -1.957 -12.463 1.00 1.76 O ATOM 0 H GLU A 90 -4.005 -2.668 -8.127 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.774 -3.898 -8.302 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.389 -1.181 -9.536 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.974 -2.094 -10.021 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.464 -4.006 -10.653 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.858 -3.030 -10.236 1.00 0.90 H new ATOM 1423 N PRO A 91 0.108 -3.141 -6.852 1.00 0.30 N ATOM 1424 CA PRO A 91 1.285 -2.730 -6.095 1.00 0.29 C ATOM 1425 C PRO A 91 2.064 -1.602 -6.760 1.00 0.31 C ATOM 1426 O PRO A 91 1.934 -1.358 -7.960 1.00 0.55 O ATOM 1427 CB PRO A 91 2.144 -3.990 -6.057 1.00 0.36 C ATOM 1428 CG PRO A 91 1.200 -5.137 -6.205 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.074 -4.605 -6.826 1.00 0.39 C ATOM 0 HA PRO A 91 1.004 -2.343 -5.116 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.880 -3.985 -6.861 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.696 -4.058 -5.120 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.637 -5.914 -6.833 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.993 -5.590 -5.235 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.223 -5.004 -7.829 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.948 -4.885 -6.239 1.00 0.39 H new ATOM 1437 N SER A 92 2.887 -0.930 -5.965 1.00 0.27 N ATOM 1438 CA SER A 92 3.713 0.162 -6.450 1.00 0.31 C ATOM 1439 C SER A 92 5.109 -0.360 -6.757 1.00 0.27 C ATOM 1440 O SER A 92 5.613 -1.239 -6.047 1.00 0.24 O ATOM 1441 CB SER A 92 3.787 1.286 -5.415 1.00 0.39 C ATOM 1442 OG SER A 92 3.568 0.790 -4.107 1.00 1.23 O ATOM 0 H SER A 92 2.999 -1.127 -4.971 1.00 0.27 H new ATOM 0 HA SER A 92 3.267 0.566 -7.359 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.764 1.768 -5.466 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.043 2.048 -5.647 1.00 0.39 H new ATOM 0 HG SER A 92 2.641 0.483 -4.025 1.00 1.23 H new ATOM 1448 N ASP A 93 5.714 0.182 -7.820 1.00 0.33 N ATOM 1449 CA ASP A 93 7.056 -0.216 -8.267 1.00 0.36 C ATOM 1450 C ASP A 93 7.970 -0.558 -7.099 1.00 0.32 C ATOM 1451 O ASP A 93 8.100 0.211 -6.154 1.00 0.56 O ATOM 1452 CB ASP A 93 7.696 0.891 -9.109 1.00 0.45 C ATOM 1453 CG ASP A 93 6.733 1.497 -10.112 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.694 0.864 -10.395 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.016 2.606 -10.612 1.00 1.63 O ATOM 0 H ASP A 93 5.288 0.909 -8.395 1.00 0.33 H new ATOM 0 HA ASP A 93 6.933 -1.112 -8.875 1.00 0.36 H new ATOM 0 HB2 ASP A 93 8.067 1.675 -8.449 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.558 0.486 -9.639 1.00 0.45 H new ATOM 1460 N ALA A 94 8.597 -1.721 -7.178 1.00 0.33 N ATOM 1461 CA ALA A 94 9.499 -2.175 -6.129 1.00 0.28 C ATOM 1462 C ALA A 94 10.517 -1.103 -5.770 1.00 0.29 C ATOM 1463 O ALA A 94 11.131 -0.493 -6.644 1.00 0.41 O ATOM 1464 CB ALA A 94 10.207 -3.448 -6.557 1.00 0.34 C ATOM 0 H ALA A 94 8.498 -2.370 -7.959 1.00 0.33 H new ATOM 0 HA ALA A 94 8.901 -2.381 -5.241 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.878 -3.776 -5.763 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.469 -4.226 -6.753 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.783 -3.257 -7.463 1.00 0.34 H new ATOM 1470 N ILE A 95 10.686 -0.881 -4.475 1.00 0.25 N ATOM 1471 CA ILE A 95 11.623 0.118 -3.984 1.00 0.28 C ATOM 1472 C ILE A 95 12.789 -0.522 -3.236 1.00 0.26 C ATOM 1473 O ILE A 95 12.632 -0.995 -2.110 1.00 0.25 O ATOM 1474 CB ILE A 95 10.913 1.115 -3.059 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.737 1.741 -3.804 1.00 0.41 C ATOM 1476 CG2 ILE A 95 11.882 2.180 -2.572 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.398 1.228 -3.332 1.00 0.44 C ATOM 0 H ILE A 95 10.184 -1.382 -3.742 1.00 0.25 H new ATOM 0 HA ILE A 95 12.017 0.643 -4.854 1.00 0.28 H new ATOM 0 HB ILE A 95 10.537 0.590 -2.181 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.770 2.823 -3.679 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.841 1.540 -4.870 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.358 2.877 -1.918 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.696 1.707 -2.022 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.288 2.721 -3.427 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.603 1.711 -3.900 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.348 0.150 -3.482 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.275 1.453 -2.273 1.00 0.44 H new ATOM 1489 N THR A 96 13.960 -0.528 -3.867 1.00 0.29 N ATOM 1490 CA THR A 96 15.156 -1.103 -3.260 1.00 0.32 C ATOM 1491 C THR A 96 15.394 -0.519 -1.871 1.00 0.32 C ATOM 1492 O THR A 96 16.060 -1.132 -1.038 1.00 0.38 O ATOM 1493 CB THR A 96 16.376 -0.852 -4.146 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.071 -1.118 -5.504 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.573 -1.701 -3.770 1.00 0.43 C ATOM 0 H THR A 96 14.106 -0.141 -4.799 1.00 0.29 H new ATOM 0 HA THR A 96 15.002 -2.178 -3.163 1.00 0.32 H new ATOM 0 HB THR A 96 16.633 0.197 -3.996 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.863 -0.950 -6.056 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.404 -1.474 -4.437 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.864 -1.485 -2.742 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.313 -2.756 -3.860 1.00 0.43 H new ATOM 1503 N CYS A 97 14.848 0.669 -1.628 1.00 0.32 N ATOM 1504 CA CYS A 97 15.010 1.327 -0.340 1.00 0.36 C ATOM 1505 C CYS A 97 16.486 1.577 -0.058 1.00 0.43 C ATOM 1506 O CYS A 97 16.946 1.441 1.074 1.00 0.64 O ATOM 1507 CB CYS A 97 14.395 0.468 0.770 1.00 0.38 C ATOM 1508 SG CYS A 97 12.809 1.080 1.385 1.00 1.10 S ATOM 0 H CYS A 97 14.292 1.192 -2.304 1.00 0.32 H new ATOM 0 HA CYS A 97 14.494 2.287 -0.368 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.260 -0.547 0.396 1.00 0.38 H new ATOM 0 HB3 CYS A 97 15.097 0.411 1.602 1.00 0.38 H new ATOM 0 HG CYS A 97 12.942 2.312 1.777 1.00 1.10 H new ATOM 1514 N ARG A 98 17.222 1.939 -1.105 1.00 0.53 N ATOM 1515 CA ARG A 98 18.653 2.203 -0.981 1.00 0.63 C ATOM 1516 C ARG A 98 19.055 3.502 -1.672 1.00 0.80 C ATOM 1517 O ARG A 98 19.906 4.239 -1.181 1.00 1.04 O ATOM 1518 CB ARG A 98 19.452 1.039 -1.569 1.00 0.68 C ATOM 1519 CG ARG A 98 19.398 0.969 -3.088 1.00 0.74 C ATOM 1520 CD ARG A 98 20.471 1.839 -3.726 1.00 0.92 C ATOM 1521 NE ARG A 98 21.188 1.130 -4.782 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.199 1.654 -5.468 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.610 2.888 -5.208 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.798 0.943 -6.414 1.00 2.68 N ATOM 0 H ARG A 98 16.852 2.056 -2.048 1.00 0.53 H new ATOM 0 HA ARG A 98 18.876 2.307 0.081 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.492 1.127 -1.254 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.073 0.104 -1.157 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.527 -0.064 -3.410 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.415 1.290 -3.433 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.012 2.738 -4.138 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.177 2.164 -2.962 1.00 0.92 H new ATOM 0 HE ARG A 98 20.897 0.179 -5.006 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.150 3.436 -4.481 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.386 3.289 -5.735 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.483 -0.006 -6.615 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.574 1.345 -6.940 1.00 2.68 H new ATOM 1538 N ASP A 99 18.449 3.768 -2.817 1.00 0.92 N ATOM 1539 CA ASP A 99 18.752 4.972 -3.585 1.00 1.20 C ATOM 1540 C ASP A 99 18.724 6.216 -2.711 1.00 1.03 C ATOM 1541 O ASP A 99 19.390 7.210 -3.005 1.00 1.20 O ATOM 1542 CB ASP A 99 17.773 5.130 -4.745 1.00 1.61 C ATOM 1543 CG ASP A 99 16.334 4.911 -4.323 1.00 1.71 C ATOM 1544 OD1 ASP A 99 16.002 3.780 -3.909 1.00 2.08 O ATOM 1545 OD2 ASP A 99 15.539 5.871 -4.406 1.00 2.14 O ATOM 0 H ASP A 99 17.742 3.167 -3.239 1.00 0.92 H new ATOM 0 HA ASP A 99 19.761 4.859 -3.981 1.00 1.20 H new ATOM 0 HB2 ASP A 99 17.876 6.129 -5.170 1.00 1.61 H new ATOM 0 HB3 ASP A 99 18.030 4.421 -5.532 1.00 1.61 H new ATOM 1550 N ASP A 100 17.958 6.155 -1.638 1.00 0.85 N ATOM 1551 CA ASP A 100 17.850 7.283 -0.718 1.00 0.92 C ATOM 1552 C ASP A 100 19.091 7.413 0.155 1.00 1.22 C ATOM 1553 O ASP A 100 19.258 8.395 0.878 1.00 1.38 O ATOM 1554 CB ASP A 100 16.611 7.142 0.158 1.00 0.87 C ATOM 1555 CG ASP A 100 15.652 8.308 -0.003 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.952 9.401 0.521 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.603 8.127 -0.654 1.00 2.03 O ATOM 0 H ASP A 100 17.401 5.341 -1.378 1.00 0.85 H new ATOM 0 HA ASP A 100 17.762 8.188 -1.319 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.096 6.214 -0.092 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.914 7.066 1.202 1.00 0.87 H new