USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 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 93 THR OG1 : rot -170:sc= 0.199 USER MOD Set 1.2: A 94 THR OG1 : rot -170:sc= 0.608 USER MOD Set 1.3: A 97 THR OG1 : rot -74:sc= 0.744 USER MOD Set 1.4: A 101 ASN : amide:sc= 0.393 K(o=1.9,f=-2.9!) USER MOD Set 2.1: A 71 SER OG : rot -112:sc= 0.079 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0.107 USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0.709 USER MOD Set 3.2: A 51 SER OG : rot -18:sc= 0.791 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.14) USER MOD Single : A 19 SER OG : rot 48:sc= 1.2 USER MOD Single : A 22 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 61:sc= -0.214 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.342 K(o=0.34,f=-6.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.23 K(o=1.2,f=-5.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -105:sc= -0.986 (180deg=-2.81!) USER MOD Single : A 40 THR OG1 : rot -114:sc= 0.665 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.26 K(o=1.3,f=-0.069) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.547 K(o=-0.55,f=-6.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 2.45 (180deg=2.25) USER MOD Single : A 88 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.12) USER MOD Single : A 90 ASN : amide:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 91 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= -0.0135 (180deg=-0.132) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -82:sc= 1.29 USER MOD Single : A 104 CYS SG : rot 116:sc= -0.829 USER MOD Single : A 107 CYS SG : rot 74:sc= 0.095 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -14.947 -10.256 2.957 1.00 0.00 N ATOM 86 CA PRO A 6 -13.552 -9.896 3.107 1.00 0.00 C ATOM 87 C PRO A 6 -13.311 -9.239 4.448 1.00 0.00 C ATOM 88 O PRO A 6 -14.247 -8.964 5.202 1.00 0.00 O ATOM 89 CB PRO A 6 -13.285 -8.976 1.919 1.00 0.00 C ATOM 90 CG PRO A 6 -14.604 -8.214 1.757 1.00 0.00 C ATOM 91 CD PRO A 6 -15.666 -9.200 2.256 1.00 0.00 C ATOM 0 HA PRO A 6 -12.872 -10.748 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.452 -8.300 2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.035 -9.541 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.608 -7.294 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.777 -7.933 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.374 -8.705 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.240 -9.607 1.424 1.00 0.00 H new ATOM 99 N ILE A 7 -12.038 -9.061 4.789 1.00 0.00 N ATOM 100 CA ILE A 7 -11.670 -8.332 5.974 1.00 0.00 C ATOM 101 C ILE A 7 -11.961 -6.860 5.693 1.00 0.00 C ATOM 102 O ILE A 7 -11.087 -6.210 5.146 1.00 0.00 O ATOM 103 CB ILE A 7 -10.208 -8.651 6.358 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.017 -10.126 6.783 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.738 -7.813 7.554 1.00 0.00 C ATOM 106 CD1 ILE A 7 -9.805 -11.129 5.655 1.00 0.00 C ATOM 0 H ILE A 7 -11.248 -9.418 4.251 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.248 -8.622 6.851 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.632 -8.427 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.161 -10.181 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.892 -10.434 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.705 -8.067 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.803 -6.754 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.372 -8.022 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.683 -12.128 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.669 -11.117 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.911 -10.860 5.092 1.00 0.00 H new ATOM 118 N ASP A 8 -13.190 -6.393 5.967 1.00 0.00 N ATOM 119 CA ASP A 8 -13.766 -5.053 5.723 1.00 0.00 C ATOM 120 C ASP A 8 -13.237 -4.365 4.465 1.00 0.00 C ATOM 121 O ASP A 8 -13.029 -3.154 4.440 1.00 0.00 O ATOM 122 CB ASP A 8 -13.660 -4.139 6.959 1.00 0.00 C ATOM 123 CG ASP A 8 -14.881 -3.210 7.057 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.969 -3.752 7.324 1.00 0.00 O ATOM 125 OD2 ASP A 8 -14.792 -1.961 6.927 1.00 0.00 O ATOM 0 H ASP A 8 -13.877 -7.003 6.410 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.824 -5.233 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.586 -4.747 7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.749 -3.544 6.900 1.00 0.00 H new ATOM 130 N LEU A 9 -12.924 -5.152 3.434 1.00 0.00 N ATOM 131 CA LEU A 9 -12.056 -4.704 2.381 1.00 0.00 C ATOM 132 C LEU A 9 -12.933 -4.026 1.358 1.00 0.00 C ATOM 133 O LEU A 9 -13.795 -4.657 0.737 1.00 0.00 O ATOM 134 CB LEU A 9 -11.275 -5.870 1.779 1.00 0.00 C ATOM 135 CG LEU A 9 -10.040 -5.306 1.064 1.00 0.00 C ATOM 136 CD1 LEU A 9 -8.874 -5.086 2.028 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.571 -6.245 -0.031 1.00 0.00 C ATOM 0 H LEU A 9 -13.269 -6.105 3.320 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.307 -4.008 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.975 -6.569 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.900 -6.423 1.078 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.343 -4.349 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.020 -4.686 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.171 -4.380 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.598 -6.035 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.695 -5.822 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.313 -7.211 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.368 -6.378 -0.762 1.00 0.00 H new ATOM 149 N VAL A 10 -12.706 -2.739 1.178 1.00 0.00 N ATOM 150 CA VAL A 10 -13.591 -1.869 0.434 1.00 0.00 C ATOM 151 C VAL A 10 -12.753 -1.135 -0.606 1.00 0.00 C ATOM 152 O VAL A 10 -11.676 -0.637 -0.278 1.00 0.00 O ATOM 153 CB VAL A 10 -14.406 -0.964 1.379 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.545 -1.770 2.022 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.628 -0.296 2.517 1.00 0.00 C ATOM 0 H VAL A 10 -11.886 -2.262 1.552 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.354 -2.433 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.756 -0.163 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.117 -1.124 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.201 -2.159 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.127 -2.600 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.307 0.314 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.179 -1.062 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.844 0.336 2.100 1.00 0.00 H new ATOM 165 N PRO A 11 -13.155 -1.115 -1.886 1.00 0.00 N ATOM 166 CA PRO A 11 -12.410 -0.360 -2.870 1.00 0.00 C ATOM 167 C PRO A 11 -12.438 1.128 -2.524 1.00 0.00 C ATOM 168 O PRO A 11 -13.350 1.616 -1.850 1.00 0.00 O ATOM 169 CB PRO A 11 -13.054 -0.629 -4.223 1.00 0.00 C ATOM 170 CG PRO A 11 -14.188 -1.617 -3.960 1.00 0.00 C ATOM 171 CD PRO A 11 -14.389 -1.623 -2.448 1.00 0.00 C ATOM 0 HA PRO A 11 -11.363 -0.662 -2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.434 0.292 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.330 -1.044 -4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.099 -1.313 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.933 -2.612 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.235 -0.998 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.599 -2.629 -2.085 1.00 0.00 H new ATOM 179 N THR A 12 -11.461 1.852 -3.052 1.00 0.00 N ATOM 180 CA THR A 12 -11.525 3.289 -3.209 1.00 0.00 C ATOM 181 C THR A 12 -10.708 3.630 -4.458 1.00 0.00 C ATOM 182 O THR A 12 -10.341 2.742 -5.240 1.00 0.00 O ATOM 183 CB THR A 12 -11.112 4.007 -1.906 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.422 5.374 -2.043 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.631 3.865 -1.529 1.00 0.00 C ATOM 0 H THR A 12 -10.588 1.445 -3.388 1.00 0.00 H new ATOM 0 HA THR A 12 -12.539 3.655 -3.373 1.00 0.00 H new ATOM 0 HB THR A 12 -11.666 3.528 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.169 5.850 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.439 4.403 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.389 2.811 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.012 4.281 -2.324 1.00 0.00 H new ATOM 193 N GLN A 13 -10.446 4.912 -4.665 1.00 0.00 N ATOM 194 CA GLN A 13 -9.601 5.448 -5.708 1.00 0.00 C ATOM 195 C GLN A 13 -8.720 6.545 -5.109 1.00 0.00 C ATOM 196 O GLN A 13 -8.935 6.967 -3.968 1.00 0.00 O ATOM 197 CB GLN A 13 -10.507 5.953 -6.849 1.00 0.00 C ATOM 198 CG GLN A 13 -10.838 4.833 -7.843 1.00 0.00 C ATOM 199 CD GLN A 13 -12.322 4.513 -7.933 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.782 3.486 -7.435 1.00 0.00 O ATOM 201 NE2 GLN A 13 -13.082 5.357 -8.599 1.00 0.00 N ATOM 0 H GLN A 13 -10.842 5.642 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.934 4.694 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.430 6.354 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.012 6.771 -7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.476 5.118 -8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.298 3.931 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.675 6.201 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.078 5.167 -8.712 1.00 0.00 H new ATOM 210 N PRO A 14 -7.720 7.011 -5.869 1.00 0.00 N ATOM 211 CA PRO A 14 -6.883 8.118 -5.464 1.00 0.00 C ATOM 212 C PRO A 14 -7.687 9.410 -5.443 1.00 0.00 C ATOM 213 O PRO A 14 -8.745 9.542 -6.073 1.00 0.00 O ATOM 214 CB PRO A 14 -5.754 8.139 -6.493 1.00 0.00 C ATOM 215 CG PRO A 14 -6.404 7.597 -7.760 1.00 0.00 C ATOM 216 CD PRO A 14 -7.338 6.535 -7.188 1.00 0.00 C ATOM 0 HA PRO A 14 -6.487 8.014 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.368 9.147 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.914 7.519 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.946 8.369 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.672 7.173 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.213 6.401 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.839 5.568 -7.125 1.00 0.00 H new ATOM 224 N LEU A 15 -7.138 10.364 -4.702 1.00 0.00 N ATOM 225 CA LEU A 15 -7.687 11.689 -4.529 1.00 0.00 C ATOM 226 C LEU A 15 -7.538 12.469 -5.839 1.00 0.00 C ATOM 227 O LEU A 15 -6.654 12.182 -6.657 1.00 0.00 O ATOM 228 CB LEU A 15 -6.915 12.366 -3.388 1.00 0.00 C ATOM 229 CG LEU A 15 -7.302 11.960 -1.950 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.370 12.912 -1.396 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.765 10.512 -1.738 1.00 0.00 C ATOM 0 H LEU A 15 -6.267 10.224 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.747 11.653 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.854 12.159 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.044 13.444 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.361 12.035 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.633 12.613 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.980 13.930 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.257 12.871 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.006 10.357 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.650 10.320 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.968 9.829 -2.032 1.00 0.00 H new ATOM 243 N PRO A 16 -8.383 13.478 -6.055 1.00 0.00 N ATOM 244 CA PRO A 16 -8.294 14.353 -7.204 1.00 0.00 C ATOM 245 C PRO A 16 -7.266 15.441 -6.914 1.00 0.00 C ATOM 246 O PRO A 16 -7.190 15.918 -5.785 1.00 0.00 O ATOM 247 CB PRO A 16 -9.706 14.920 -7.318 1.00 0.00 C ATOM 248 CG PRO A 16 -10.167 15.035 -5.863 1.00 0.00 C ATOM 249 CD PRO A 16 -9.517 13.823 -5.215 1.00 0.00 C ATOM 0 HA PRO A 16 -7.977 13.866 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.710 15.889 -7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.357 14.262 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.835 15.967 -5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.253 15.007 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.195 14.050 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.220 12.993 -5.148 1.00 0.00 H new ATOM 257 N ASN A 17 -6.533 15.946 -7.912 1.00 0.00 N ATOM 258 CA ASN A 17 -5.471 16.954 -7.699 1.00 0.00 C ATOM 259 C ASN A 17 -4.357 16.419 -6.787 1.00 0.00 C ATOM 260 O ASN A 17 -3.582 17.202 -6.236 1.00 0.00 O ATOM 261 CB ASN A 17 -5.994 18.293 -7.123 1.00 0.00 C ATOM 262 CG ASN A 17 -7.321 18.753 -7.685 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.396 19.640 -8.526 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.409 18.193 -7.174 1.00 0.00 N ATOM 0 H ASN A 17 -6.653 15.674 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.072 17.154 -8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.089 18.194 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.249 19.067 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.332 18.500 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.323 17.456 -6.475 1.00 0.00 H new ATOM 271 N ALA A 18 -4.323 15.102 -6.559 1.00 0.00 N ATOM 272 CA ALA A 18 -3.341 14.426 -5.720 1.00 0.00 C ATOM 273 C ALA A 18 -1.919 14.659 -6.231 1.00 0.00 C ATOM 274 O ALA A 18 -1.702 14.890 -7.421 1.00 0.00 O ATOM 275 CB ALA A 18 -3.652 12.930 -5.681 1.00 0.00 C ATOM 0 H ALA A 18 -5.002 14.461 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.401 14.839 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.919 12.422 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.650 12.776 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.609 12.523 -6.691 1.00 0.00 H new ATOM 281 N SER A 19 -0.962 14.573 -5.318 1.00 0.00 N ATOM 282 CA SER A 19 0.431 14.902 -5.506 1.00 0.00 C ATOM 283 C SER A 19 1.191 14.025 -4.527 1.00 0.00 C ATOM 284 O SER A 19 0.874 14.025 -3.330 1.00 0.00 O ATOM 285 CB SER A 19 0.675 16.401 -5.216 1.00 0.00 C ATOM 286 OG SER A 19 -0.398 17.042 -4.531 1.00 0.00 O ATOM 0 H SER A 19 -1.157 14.251 -4.370 1.00 0.00 H new ATOM 0 HA SER A 19 0.757 14.727 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.583 16.502 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.851 16.919 -6.159 1.00 0.00 H new ATOM 0 HG SER A 19 -0.673 16.493 -3.768 1.00 0.00 H new ATOM 292 N PHE A 20 2.205 13.312 -5.010 1.00 0.00 N ATOM 293 CA PHE A 20 3.151 12.712 -4.099 1.00 0.00 C ATOM 294 C PHE A 20 3.832 13.836 -3.318 1.00 0.00 C ATOM 295 O PHE A 20 4.154 14.897 -3.864 1.00 0.00 O ATOM 296 CB PHE A 20 4.155 11.832 -4.849 1.00 0.00 C ATOM 297 CG PHE A 20 5.139 11.119 -3.939 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.748 10.584 -2.690 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.488 11.056 -4.318 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.709 10.055 -1.809 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.440 10.512 -3.446 1.00 0.00 C ATOM 302 CZ PHE A 20 7.060 10.022 -2.186 1.00 0.00 C ATOM 0 H PHE A 20 2.383 13.143 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 20 2.639 12.051 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.610 11.090 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.709 12.449 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.705 10.581 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.794 11.428 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.407 9.675 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.477 10.469 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.803 9.622 -1.512 1.00 0.00 H new ATOM 312 N ASP A 21 4.035 13.591 -2.031 1.00 0.00 N ATOM 313 CA ASP A 21 4.662 14.470 -1.052 1.00 0.00 C ATOM 314 C ASP A 21 6.122 14.000 -0.862 1.00 0.00 C ATOM 315 O ASP A 21 6.615 13.266 -1.719 1.00 0.00 O ATOM 316 CB ASP A 21 3.791 14.360 0.201 1.00 0.00 C ATOM 317 CG ASP A 21 4.276 15.226 1.349 1.00 0.00 C ATOM 318 OD1 ASP A 21 4.042 16.452 1.302 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.969 14.685 2.235 1.00 0.00 O ATOM 0 H ASP A 21 3.744 12.707 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 21 4.721 15.519 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.768 14.642 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.764 13.320 0.526 1.00 0.00 H new ATOM 324 N ASN A 22 6.855 14.416 0.174 1.00 0.00 N ATOM 325 CA ASN A 22 8.155 13.841 0.527 1.00 0.00 C ATOM 326 C ASN A 22 8.014 12.706 1.556 1.00 0.00 C ATOM 327 O ASN A 22 9.036 12.140 1.951 1.00 0.00 O ATOM 328 CB ASN A 22 9.111 14.925 1.072 1.00 0.00 C ATOM 329 CG ASN A 22 10.221 15.323 0.111 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.302 16.462 -0.345 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.163 14.438 -0.161 1.00 0.00 N ATOM 0 H ASN A 22 6.560 15.168 0.797 1.00 0.00 H new ATOM 0 HA ASN A 22 8.577 13.423 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.530 15.812 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.560 14.565 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.955 14.700 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.099 13.492 0.216 1.00 0.00 H new ATOM 338 N PHE A 23 6.814 12.388 2.073 1.00 0.00 N ATOM 339 CA PHE A 23 6.658 11.288 3.036 1.00 0.00 C ATOM 340 C PHE A 23 7.234 9.978 2.472 1.00 0.00 C ATOM 341 O PHE A 23 7.228 9.737 1.262 1.00 0.00 O ATOM 342 CB PHE A 23 5.199 11.117 3.526 1.00 0.00 C ATOM 343 CG PHE A 23 4.227 10.471 2.547 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.305 9.096 2.241 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.225 11.247 1.939 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.463 8.534 1.266 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.385 10.691 0.959 1.00 0.00 C ATOM 348 CZ PHE A 23 2.523 9.339 0.602 1.00 0.00 C ATOM 0 H PHE A 23 5.947 12.873 1.842 1.00 0.00 H new ATOM 0 HA PHE A 23 7.237 11.556 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.213 10.520 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.811 12.100 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.017 8.471 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.099 12.280 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.539 7.483 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.634 11.302 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.908 8.920 -0.181 1.00 0.00 H new ATOM 358 N LYS A 24 7.687 9.102 3.367 1.00 0.00 N ATOM 359 CA LYS A 24 8.293 7.816 3.050 1.00 0.00 C ATOM 360 C LYS A 24 7.421 6.691 3.593 1.00 0.00 C ATOM 361 O LYS A 24 6.683 6.890 4.559 1.00 0.00 O ATOM 362 CB LYS A 24 9.703 7.807 3.658 1.00 0.00 C ATOM 363 CG LYS A 24 10.390 6.456 3.496 1.00 0.00 C ATOM 364 CD LYS A 24 11.834 6.390 3.962 1.00 0.00 C ATOM 365 CE LYS A 24 12.361 5.086 3.356 1.00 0.00 C ATOM 366 NZ LYS A 24 13.784 4.867 3.673 1.00 0.00 N ATOM 0 H LYS A 24 7.639 9.278 4.371 1.00 0.00 H new ATOM 0 HA LYS A 24 8.371 7.662 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.307 8.580 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.642 8.057 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.816 5.709 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.354 6.175 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.405 7.251 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.902 6.381 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.773 4.248 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.230 5.110 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.102 3.974 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.349 5.653 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.906 4.819 4.705 1.00 0.00 H new ATOM 380 N LEU A 25 7.565 5.496 3.024 1.00 0.00 N ATOM 381 CA LEU A 25 6.968 4.265 3.525 1.00 0.00 C ATOM 382 C LEU A 25 8.037 3.432 4.234 1.00 0.00 C ATOM 383 O LEU A 25 9.173 3.368 3.759 1.00 0.00 O ATOM 384 CB LEU A 25 6.350 3.466 2.370 1.00 0.00 C ATOM 385 CG LEU A 25 5.285 4.269 1.593 1.00 0.00 C ATOM 386 CD1 LEU A 25 5.876 4.970 0.360 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.161 3.338 1.146 1.00 0.00 C ATOM 0 H LEU A 25 8.117 5.356 2.177 1.00 0.00 H new ATOM 0 HA LEU A 25 6.178 4.512 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.139 3.158 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.897 2.556 2.764 1.00 0.00 H new ATOM 0 HG LEU A 25 4.900 5.035 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.091 5.523 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.659 5.660 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.298 4.225 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.412 3.909 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.568 2.560 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.699 2.879 2.020 1.00 0.00 H new ATOM 399 N THR A 26 7.683 2.752 5.320 1.00 0.00 N ATOM 400 CA THR A 26 8.565 1.922 6.139 1.00 0.00 C ATOM 401 C THR A 26 7.826 0.633 6.524 1.00 0.00 C ATOM 402 O THR A 26 6.603 0.567 6.407 1.00 0.00 O ATOM 403 CB THR A 26 9.029 2.742 7.363 1.00 0.00 C ATOM 404 OG1 THR A 26 7.957 3.351 8.064 1.00 0.00 O ATOM 405 CG2 THR A 26 9.914 3.908 6.926 1.00 0.00 C ATOM 0 H THR A 26 6.726 2.764 5.672 1.00 0.00 H new ATOM 0 HA THR A 26 9.459 1.627 5.589 1.00 0.00 H new ATOM 0 HB THR A 26 9.547 2.023 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.309 3.854 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.230 4.473 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.791 3.524 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.352 4.560 6.257 1.00 0.00 H new ATOM 413 N CYS A 27 8.521 -0.415 6.969 1.00 0.00 N ATOM 414 CA CYS A 27 7.923 -1.660 7.444 1.00 0.00 C ATOM 415 C CYS A 27 9.018 -2.524 8.087 1.00 0.00 C ATOM 416 O CYS A 27 10.216 -2.233 7.980 1.00 0.00 O ATOM 417 CB CYS A 27 7.263 -2.388 6.249 1.00 0.00 C ATOM 418 SG CYS A 27 6.271 -3.831 6.732 1.00 0.00 S ATOM 0 H CYS A 27 9.540 -0.420 7.009 1.00 0.00 H new ATOM 0 HA CYS A 27 7.156 -1.461 8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.627 -1.684 5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.041 -2.708 5.555 1.00 0.00 H new ATOM 0 HG CYS A 27 5.300 -3.450 7.508 1.00 0.00 H new ATOM 424 N SER A 28 8.602 -3.636 8.694 1.00 0.00 N ATOM 425 CA SER A 28 9.419 -4.812 8.935 1.00 0.00 C ATOM 426 C SER A 28 10.111 -5.229 7.635 1.00 0.00 C ATOM 427 O SER A 28 11.339 -5.175 7.558 1.00 0.00 O ATOM 428 CB SER A 28 8.529 -5.897 9.554 1.00 0.00 C ATOM 429 OG SER A 28 9.041 -7.207 9.401 1.00 0.00 O ATOM 0 H SER A 28 7.649 -3.740 9.042 1.00 0.00 H new ATOM 0 HA SER A 28 10.222 -4.615 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.401 -5.688 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.540 -5.847 9.098 1.00 0.00 H new ATOM 0 HG SER A 28 8.428 -7.848 9.818 1.00 0.00 H new ATOM 435 N ASN A 29 9.344 -5.644 6.618 1.00 0.00 N ATOM 436 CA ASN A 29 9.918 -6.116 5.364 1.00 0.00 C ATOM 437 C ASN A 29 10.540 -4.927 4.639 1.00 0.00 C ATOM 438 O ASN A 29 9.828 -4.096 4.071 1.00 0.00 O ATOM 439 CB ASN A 29 8.891 -6.836 4.479 1.00 0.00 C ATOM 440 CG ASN A 29 9.602 -7.527 3.315 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.327 -6.907 2.539 1.00 0.00 O ATOM 442 ND2 ASN A 29 9.480 -8.836 3.213 1.00 0.00 N ATOM 0 H ASN A 29 8.324 -5.660 6.645 1.00 0.00 H new ATOM 0 HA ASN A 29 10.684 -6.858 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.341 -7.570 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.161 -6.121 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.989 -9.341 2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.877 -9.344 3.860 1.00 0.00 H new ATOM 449 N THR A 30 11.865 -4.831 4.689 1.00 0.00 N ATOM 450 CA THR A 30 12.606 -3.707 4.134 1.00 0.00 C ATOM 451 C THR A 30 12.356 -3.583 2.628 1.00 0.00 C ATOM 452 O THR A 30 11.951 -2.516 2.169 1.00 0.00 O ATOM 453 CB THR A 30 14.098 -3.839 4.482 1.00 0.00 C ATOM 454 OG1 THR A 30 14.590 -5.131 4.160 1.00 0.00 O ATOM 455 CG2 THR A 30 14.348 -3.601 5.974 1.00 0.00 C ATOM 0 H THR A 30 12.459 -5.539 5.121 1.00 0.00 H new ATOM 0 HA THR A 30 12.250 -2.780 4.583 1.00 0.00 H new ATOM 0 HB THR A 30 14.618 -3.083 3.893 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.541 -5.186 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.413 -3.702 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.018 -2.597 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.791 -4.334 6.558 1.00 0.00 H new ATOM 463 N LYS A 31 12.536 -4.677 1.868 1.00 0.00 N ATOM 464 CA LYS A 31 12.317 -4.700 0.419 1.00 0.00 C ATOM 465 C LYS A 31 10.941 -4.155 0.091 1.00 0.00 C ATOM 466 O LYS A 31 10.866 -3.284 -0.763 1.00 0.00 O ATOM 467 CB LYS A 31 12.507 -6.110 -0.170 1.00 0.00 C ATOM 468 CG LYS A 31 12.139 -6.258 -1.665 1.00 0.00 C ATOM 469 CD LYS A 31 13.107 -5.548 -2.622 1.00 0.00 C ATOM 470 CE LYS A 31 14.457 -6.283 -2.714 1.00 0.00 C ATOM 471 NZ LYS A 31 15.613 -5.463 -2.289 1.00 0.00 N ATOM 0 H LYS A 31 12.839 -5.574 2.248 1.00 0.00 H new ATOM 0 HA LYS A 31 13.069 -4.060 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.549 -6.403 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.903 -6.811 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.108 -7.318 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.135 -5.863 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.658 -5.485 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.271 -4.526 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.414 -7.181 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.613 -6.609 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.486 -6.021 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.680 -4.618 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.487 -5.172 -1.298 1.00 0.00 H new ATOM 485 N PHE A 32 9.882 -4.658 0.731 1.00 0.00 N ATOM 486 CA PHE A 32 8.508 -4.284 0.427 1.00 0.00 C ATOM 487 C PHE A 32 8.354 -2.770 0.345 1.00 0.00 C ATOM 488 O PHE A 32 7.949 -2.247 -0.692 1.00 0.00 O ATOM 489 CB PHE A 32 7.587 -4.867 1.502 1.00 0.00 C ATOM 490 CG PHE A 32 6.088 -4.802 1.244 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.561 -5.171 -0.007 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.201 -4.479 2.289 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.174 -5.273 -0.205 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.811 -4.570 2.092 1.00 0.00 C ATOM 495 CZ PHE A 32 3.298 -4.989 0.852 1.00 0.00 C ATOM 0 H PHE A 32 9.961 -5.344 1.482 1.00 0.00 H new ATOM 0 HA PHE A 32 8.234 -4.688 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.859 -5.912 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.791 -4.349 2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.232 -5.379 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.589 -4.160 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.784 -5.569 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.136 -4.317 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.232 -5.092 0.714 1.00 0.00 H new ATOM 505 N ALA A 33 8.703 -2.075 1.429 1.00 0.00 N ATOM 506 CA ALA A 33 8.562 -0.636 1.501 1.00 0.00 C ATOM 507 C ALA A 33 9.503 0.056 0.515 1.00 0.00 C ATOM 508 O ALA A 33 9.140 1.093 -0.023 1.00 0.00 O ATOM 509 CB ALA A 33 8.840 -0.175 2.933 1.00 0.00 C ATOM 0 H ALA A 33 9.088 -2.499 2.273 1.00 0.00 H new ATOM 0 HA ALA A 33 7.543 -0.363 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.735 0.908 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.129 -0.647 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.854 -0.458 3.216 1.00 0.00 H new ATOM 515 N ASP A 34 10.703 -0.476 0.286 1.00 0.00 N ATOM 516 CA ASP A 34 11.718 0.175 -0.556 1.00 0.00 C ATOM 517 C ASP A 34 11.287 0.167 -2.019 1.00 0.00 C ATOM 518 O ASP A 34 11.361 1.180 -2.712 1.00 0.00 O ATOM 519 CB ASP A 34 13.084 -0.509 -0.421 1.00 0.00 C ATOM 520 CG ASP A 34 14.223 0.512 -0.527 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.251 1.461 0.287 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.159 0.299 -1.339 1.00 0.00 O ATOM 0 H ASP A 34 11.003 -1.369 0.676 1.00 0.00 H new ATOM 0 HA ASP A 34 11.813 1.205 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.143 -1.026 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.195 -1.265 -1.199 1.00 0.00 H new ATOM 527 N ASP A 35 10.790 -0.985 -2.460 1.00 0.00 N ATOM 528 CA ASP A 35 10.204 -1.254 -3.777 1.00 0.00 C ATOM 529 C ASP A 35 9.030 -0.299 -4.016 1.00 0.00 C ATOM 530 O ASP A 35 8.999 0.407 -5.027 1.00 0.00 O ATOM 531 CB ASP A 35 9.773 -2.731 -3.826 1.00 0.00 C ATOM 532 CG ASP A 35 9.908 -3.428 -5.182 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.552 -2.885 -6.249 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.350 -4.600 -5.194 1.00 0.00 O ATOM 0 H ASP A 35 10.784 -1.816 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 35 10.929 -1.083 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.363 -3.285 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.732 -2.795 -3.510 1.00 0.00 H new ATOM 539 N LEU A 36 8.119 -0.210 -3.039 1.00 0.00 N ATOM 540 CA LEU A 36 6.979 0.708 -3.026 1.00 0.00 C ATOM 541 C LEU A 36 7.440 2.161 -3.121 1.00 0.00 C ATOM 542 O LEU A 36 6.904 2.917 -3.928 1.00 0.00 O ATOM 543 CB LEU A 36 6.133 0.475 -1.756 1.00 0.00 C ATOM 544 CG LEU A 36 4.875 -0.384 -1.985 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.144 -1.726 -2.679 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.198 -0.671 -0.642 1.00 0.00 C ATOM 0 H LEU A 36 8.159 -0.798 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 36 6.360 0.507 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.755 -0.006 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.831 1.441 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 36 4.238 0.200 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.206 -2.267 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.590 -1.547 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.828 -2.319 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.308 -1.279 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.890 -1.208 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.913 0.269 -0.170 1.00 0.00 H new ATOM 558 N ASN A 37 8.440 2.562 -2.333 1.00 0.00 N ATOM 559 CA ASN A 37 8.985 3.916 -2.337 1.00 0.00 C ATOM 560 C ASN A 37 9.543 4.270 -3.722 1.00 0.00 C ATOM 561 O ASN A 37 9.338 5.383 -4.217 1.00 0.00 O ATOM 562 CB ASN A 37 10.111 4.015 -1.294 1.00 0.00 C ATOM 563 CG ASN A 37 9.660 4.389 0.111 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.122 5.459 0.360 1.00 0.00 O ATOM 565 ND2 ASN A 37 9.917 3.522 1.071 1.00 0.00 N ATOM 0 H ASN A 37 8.899 1.943 -1.665 1.00 0.00 H new ATOM 0 HA ASN A 37 8.186 4.616 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.629 3.057 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.836 4.754 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.667 3.740 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.366 2.633 0.849 1.00 0.00 H new ATOM 572 N GLN A 38 10.233 3.313 -4.352 1.00 0.00 N ATOM 573 CA GLN A 38 10.858 3.430 -5.662 1.00 0.00 C ATOM 574 C GLN A 38 9.791 3.708 -6.717 1.00 0.00 C ATOM 575 O GLN A 38 10.050 4.465 -7.655 1.00 0.00 O ATOM 576 CB GLN A 38 11.632 2.126 -5.970 1.00 0.00 C ATOM 577 CG GLN A 38 13.154 2.291 -6.057 1.00 0.00 C ATOM 578 CD GLN A 38 13.631 2.491 -7.491 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.414 3.536 -8.091 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.289 1.505 -8.082 1.00 0.00 N ATOM 0 H GLN A 38 10.374 2.392 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 38 11.563 4.261 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.403 1.392 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.270 1.718 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.460 3.144 -5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.638 1.410 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.467 0.636 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.618 1.614 -9.041 1.00 0.00 H new ATOM 589 N MET A 39 8.600 3.123 -6.563 1.00 0.00 N ATOM 590 CA MET A 39 7.507 3.299 -7.503 1.00 0.00 C ATOM 591 C MET A 39 6.959 4.727 -7.471 1.00 0.00 C ATOM 592 O MET A 39 6.559 5.233 -8.520 1.00 0.00 O ATOM 593 CB MET A 39 6.373 2.314 -7.197 1.00 0.00 C ATOM 594 CG MET A 39 6.754 0.854 -7.461 1.00 0.00 C ATOM 595 SD MET A 39 5.857 -0.413 -6.507 1.00 0.00 S ATOM 596 CE MET A 39 4.188 0.281 -6.360 1.00 0.00 C ATOM 0 H MET A 39 8.373 2.513 -5.778 1.00 0.00 H new ATOM 0 HA MET A 39 7.904 3.104 -8.499 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.078 2.423 -6.153 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.504 2.571 -7.802 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.605 0.650 -8.521 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.819 0.739 -7.261 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.038 0.657 -5.348 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.070 1.098 -7.072 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.452 -0.494 -6.572 1.00 0.00 H new ATOM 606 N THR A 40 6.902 5.360 -6.293 1.00 0.00 N ATOM 607 CA THR A 40 6.216 6.639 -6.129 1.00 0.00 C ATOM 608 C THR A 40 7.142 7.839 -6.356 1.00 0.00 C ATOM 609 O THR A 40 6.625 8.893 -6.730 1.00 0.00 O ATOM 610 CB THR A 40 5.452 6.693 -4.798 1.00 0.00 C ATOM 611 OG1 THR A 40 4.785 7.922 -4.573 1.00 0.00 O ATOM 612 CG2 THR A 40 6.259 6.330 -3.551 1.00 0.00 C ATOM 0 H THR A 40 7.326 5.002 -5.438 1.00 0.00 H new ATOM 0 HA THR A 40 5.467 6.714 -6.917 1.00 0.00 H new ATOM 0 HB THR A 40 4.716 5.902 -4.941 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.194 8.381 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.620 6.402 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.635 5.311 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.098 7.018 -3.448 1.00 0.00 H new ATOM 620 N GLY A 41 8.466 7.709 -6.206 1.00 0.00 N ATOM 621 CA GLY A 41 9.412 8.809 -6.441 1.00 0.00 C ATOM 622 C GLY A 41 10.292 9.163 -5.241 1.00 0.00 C ATOM 623 O GLY A 41 11.138 10.057 -5.351 1.00 0.00 O ATOM 0 H GLY A 41 8.913 6.838 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.055 8.544 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.851 9.695 -6.737 1.00 0.00 H new ATOM 627 N PHE A 42 10.109 8.470 -4.111 1.00 0.00 N ATOM 628 CA PHE A 42 10.598 8.864 -2.796 1.00 0.00 C ATOM 629 C PHE A 42 12.076 9.274 -2.803 1.00 0.00 C ATOM 630 O PHE A 42 12.951 8.508 -3.228 1.00 0.00 O ATOM 631 CB PHE A 42 10.332 7.735 -1.790 1.00 0.00 C ATOM 632 CG PHE A 42 11.140 7.905 -0.520 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.965 9.065 0.258 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.199 7.019 -0.234 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.906 9.386 1.238 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.098 7.309 0.803 1.00 0.00 C ATOM 637 CZ PHE A 42 12.965 8.511 1.515 1.00 0.00 C ATOM 0 H PHE A 42 9.597 7.588 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 42 10.049 9.755 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.270 7.711 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.574 6.776 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.108 9.703 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.318 6.116 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.817 10.313 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.886 6.613 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.683 8.763 2.281 1.00 0.00 H new ATOM 647 N THR A 43 12.350 10.454 -2.249 1.00 0.00 N ATOM 648 CA THR A 43 13.651 11.071 -2.082 1.00 0.00 C ATOM 649 C THR A 43 13.689 11.662 -0.664 1.00 0.00 C ATOM 650 O THR A 43 12.656 12.040 -0.110 1.00 0.00 O ATOM 651 CB THR A 43 13.811 12.134 -3.187 1.00 0.00 C ATOM 652 OG1 THR A 43 13.499 11.587 -4.459 1.00 0.00 O ATOM 653 CG2 THR A 43 15.238 12.667 -3.272 1.00 0.00 C ATOM 0 H THR A 43 11.605 11.044 -1.879 1.00 0.00 H new ATOM 0 HA THR A 43 14.481 10.371 -2.180 1.00 0.00 H new ATOM 0 HB THR A 43 13.129 12.943 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.605 12.277 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.301 13.413 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.513 13.124 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.921 11.846 -3.491 1.00 0.00 H new ATOM 661 N LYS A 44 14.868 11.700 -0.039 1.00 0.00 N ATOM 662 CA LYS A 44 15.078 12.239 1.296 1.00 0.00 C ATOM 663 C LYS A 44 15.474 13.720 1.245 1.00 0.00 C ATOM 664 O LYS A 44 15.938 14.178 0.201 1.00 0.00 O ATOM 665 CB LYS A 44 16.174 11.430 2.006 1.00 0.00 C ATOM 666 CG LYS A 44 15.636 10.382 2.986 1.00 0.00 C ATOM 667 CD LYS A 44 16.542 10.298 4.205 1.00 0.00 C ATOM 668 CE LYS A 44 16.050 9.254 5.198 1.00 0.00 C ATOM 669 NZ LYS A 44 16.920 9.216 6.389 1.00 0.00 N ATOM 0 H LYS A 44 15.724 11.345 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 44 14.142 12.162 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.787 10.931 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.827 12.116 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.623 10.644 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.579 9.410 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.556 10.051 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.588 11.272 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.027 9.482 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.032 8.273 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.568 8.498 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.890 8.976 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.916 10.147 6.852 1.00 0.00 H new ATOM 683 N PRO A 45 15.421 14.421 2.391 1.00 0.00 N ATOM 684 CA PRO A 45 14.871 13.904 3.632 1.00 0.00 C ATOM 685 C PRO A 45 13.371 13.703 3.502 1.00 0.00 C ATOM 686 O PRO A 45 12.673 14.539 2.931 1.00 0.00 O ATOM 687 CB PRO A 45 15.164 14.934 4.708 1.00 0.00 C ATOM 688 CG PRO A 45 16.305 15.756 4.124 1.00 0.00 C ATOM 689 CD PRO A 45 16.010 15.727 2.625 1.00 0.00 C ATOM 0 HA PRO A 45 15.315 12.940 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.292 15.553 4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.452 14.461 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.312 16.773 4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.277 15.319 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.326 16.527 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.920 15.862 2.040 1.00 0.00 H new ATOM 697 N ALA A 46 12.892 12.562 3.994 1.00 0.00 N ATOM 698 CA ALA A 46 11.472 12.311 3.996 1.00 0.00 C ATOM 699 C ALA A 46 10.819 13.260 4.996 1.00 0.00 C ATOM 700 O ALA A 46 11.341 13.432 6.102 1.00 0.00 O ATOM 701 CB ALA A 46 11.174 10.859 4.366 1.00 0.00 C ATOM 0 H ALA A 46 13.464 11.815 4.388 1.00 0.00 H new ATOM 0 HA ALA A 46 11.069 12.483 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.096 10.696 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.645 10.195 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.567 10.649 5.361 1.00 0.00 H new ATOM 707 N SER A 47 9.657 13.806 4.653 1.00 0.00 N ATOM 708 CA SER A 47 8.914 14.690 5.543 1.00 0.00 C ATOM 709 C SER A 47 8.525 13.941 6.828 1.00 0.00 C ATOM 710 O SER A 47 8.462 14.531 7.909 1.00 0.00 O ATOM 711 CB SER A 47 7.700 15.228 4.767 1.00 0.00 C ATOM 712 OG SER A 47 7.041 16.288 5.427 1.00 0.00 O ATOM 0 H SER A 47 9.205 13.649 3.752 1.00 0.00 H new ATOM 0 HA SER A 47 9.521 15.538 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.027 15.568 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.993 14.415 4.604 1.00 0.00 H new ATOM 0 HG SER A 47 6.281 16.588 4.886 1.00 0.00 H new ATOM 718 N ARG A 48 8.260 12.637 6.712 1.00 0.00 N ATOM 719 CA ARG A 48 7.731 11.733 7.728 1.00 0.00 C ATOM 720 C ARG A 48 7.793 10.313 7.156 1.00 0.00 C ATOM 721 O ARG A 48 8.095 10.147 5.971 1.00 0.00 O ATOM 722 CB ARG A 48 6.300 12.165 8.122 1.00 0.00 C ATOM 723 CG ARG A 48 5.424 12.653 6.950 1.00 0.00 C ATOM 724 CD ARG A 48 3.960 12.233 7.065 1.00 0.00 C ATOM 725 NE ARG A 48 3.121 13.012 6.137 1.00 0.00 N ATOM 726 CZ ARG A 48 2.059 12.577 5.451 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.609 11.341 5.647 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.478 13.359 4.547 1.00 0.00 N ATOM 0 H ARG A 48 8.425 12.150 5.831 1.00 0.00 H new ATOM 0 HA ARG A 48 8.319 11.764 8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.802 11.324 8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.367 12.962 8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.478 13.740 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.832 12.266 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.863 11.170 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.613 12.380 8.088 1.00 0.00 H new ATOM 0 HE ARG A 48 3.379 13.990 6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.074 10.730 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.799 11.005 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.842 14.296 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.668 13.022 4.026 1.00 0.00 H new ATOM 742 N GLU A 49 7.553 9.294 7.978 1.00 0.00 N ATOM 743 CA GLU A 49 7.717 7.877 7.653 1.00 0.00 C ATOM 744 C GLU A 49 6.477 7.124 8.144 1.00 0.00 C ATOM 745 O GLU A 49 6.215 7.133 9.353 1.00 0.00 O ATOM 746 CB GLU A 49 8.992 7.326 8.324 1.00 0.00 C ATOM 747 CG GLU A 49 10.262 7.695 7.547 1.00 0.00 C ATOM 748 CD GLU A 49 11.544 7.508 8.362 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.874 8.411 9.174 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.314 6.553 8.094 1.00 0.00 O ATOM 0 H GLU A 49 7.224 9.439 8.932 1.00 0.00 H new ATOM 0 HA GLU A 49 7.822 7.745 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.063 7.716 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.919 6.241 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.319 7.084 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.193 8.734 7.223 1.00 0.00 H new ATOM 757 N LEU A 50 5.685 6.546 7.235 1.00 0.00 N ATOM 758 CA LEU A 50 4.453 5.792 7.503 1.00 0.00 C ATOM 759 C LEU A 50 4.777 4.314 7.438 1.00 0.00 C ATOM 760 O LEU A 50 5.369 3.857 6.460 1.00 0.00 O ATOM 761 CB LEU A 50 3.394 6.052 6.414 1.00 0.00 C ATOM 762 CG LEU A 50 2.941 7.504 6.270 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.295 7.726 4.898 1.00 0.00 C ATOM 764 CD2 LEU A 50 1.947 7.872 7.366 1.00 0.00 C ATOM 0 H LEU A 50 5.896 6.593 6.238 1.00 0.00 H new ATOM 0 HA LEU A 50 4.071 6.099 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.793 5.718 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.520 5.437 6.627 1.00 0.00 H new ATOM 0 HG LEU A 50 3.820 8.142 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.977 8.765 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.018 7.500 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.430 7.072 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.638 8.910 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.074 7.223 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.417 7.746 8.341 1.00 0.00 H new ATOM 776 N SER A 51 4.316 3.543 8.412 1.00 0.00 N ATOM 777 CA SER A 51 4.711 2.145 8.531 1.00 0.00 C ATOM 778 C SER A 51 3.582 1.229 8.095 1.00 0.00 C ATOM 779 O SER A 51 2.409 1.567 8.253 1.00 0.00 O ATOM 780 CB SER A 51 5.117 1.848 9.970 1.00 0.00 C ATOM 781 OG SER A 51 6.352 2.465 10.276 1.00 0.00 O ATOM 0 H SER A 51 3.668 3.861 9.132 1.00 0.00 H new ATOM 0 HA SER A 51 5.563 1.962 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.346 2.206 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.196 0.771 10.116 1.00 0.00 H new ATOM 0 HG SER A 51 6.812 2.706 9.445 1.00 0.00 H new ATOM 787 N VAL A 52 3.945 0.058 7.580 1.00 0.00 N ATOM 788 CA VAL A 52 3.013 -0.913 7.033 1.00 0.00 C ATOM 789 C VAL A 52 3.018 -2.146 7.959 1.00 0.00 C ATOM 790 O VAL A 52 4.036 -2.423 8.603 1.00 0.00 O ATOM 791 CB VAL A 52 3.432 -1.192 5.576 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.349 -1.974 4.822 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.692 0.069 4.733 1.00 0.00 C ATOM 0 H VAL A 52 4.918 -0.245 7.532 1.00 0.00 H new ATOM 0 HA VAL A 52 1.982 -0.562 6.997 1.00 0.00 H new ATOM 0 HB VAL A 52 4.359 -1.754 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.676 -2.154 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.175 -2.928 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.424 -1.397 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.981 -0.222 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.785 0.672 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.494 0.651 5.187 1.00 0.00 H new ATOM 803 N THR A 53 1.900 -2.867 8.065 1.00 0.00 N ATOM 804 CA THR A 53 1.671 -3.974 9.001 1.00 0.00 C ATOM 805 C THR A 53 0.894 -5.090 8.289 1.00 0.00 C ATOM 806 O THR A 53 -0.053 -4.795 7.562 1.00 0.00 O ATOM 807 CB THR A 53 0.955 -3.408 10.233 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.084 -2.475 9.963 1.00 0.00 O ATOM 809 CG2 THR A 53 1.953 -2.683 11.146 1.00 0.00 C ATOM 0 H THR A 53 1.089 -2.688 7.473 1.00 0.00 H new ATOM 0 HA THR A 53 2.603 -4.426 9.341 1.00 0.00 H new ATOM 0 HB THR A 53 0.507 -4.288 10.695 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.480 -2.173 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.429 -2.287 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.722 -3.383 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.418 -1.863 10.598 1.00 0.00 H new ATOM 817 N PHE A 54 1.324 -6.352 8.423 1.00 0.00 N ATOM 818 CA PHE A 54 0.774 -7.493 7.689 1.00 0.00 C ATOM 819 C PHE A 54 -0.278 -8.194 8.527 1.00 0.00 C ATOM 820 O PHE A 54 0.009 -8.581 9.657 1.00 0.00 O ATOM 821 CB PHE A 54 1.879 -8.502 7.366 1.00 0.00 C ATOM 822 CG PHE A 54 2.986 -7.944 6.508 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.745 -7.701 5.147 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.240 -7.647 7.069 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.761 -7.171 4.338 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.270 -7.149 6.251 1.00 0.00 C ATOM 827 CZ PHE A 54 5.026 -6.905 4.885 1.00 0.00 C ATOM 0 H PHE A 54 2.079 -6.610 9.058 1.00 0.00 H new ATOM 0 HA PHE A 54 0.332 -7.119 6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.306 -8.869 8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.437 -9.360 6.859 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.777 -7.922 4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.412 -7.801 8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.570 -6.968 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.246 -6.954 6.669 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.813 -6.513 4.258 1.00 0.00 H new ATOM 837 N PHE A 55 -1.488 -8.376 7.993 1.00 0.00 N ATOM 838 CA PHE A 55 -2.578 -8.902 8.796 1.00 0.00 C ATOM 839 C PHE A 55 -2.268 -10.286 9.416 1.00 0.00 C ATOM 840 O PHE A 55 -1.659 -11.129 8.750 1.00 0.00 O ATOM 841 CB PHE A 55 -3.870 -8.942 7.959 1.00 0.00 C ATOM 842 CG PHE A 55 -5.037 -8.234 8.607 1.00 0.00 C ATOM 843 CD1 PHE A 55 -5.129 -6.837 8.522 1.00 0.00 C ATOM 844 CD2 PHE A 55 -6.026 -8.964 9.292 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.213 -6.167 9.110 1.00 0.00 C ATOM 846 CE2 PHE A 55 -7.124 -8.297 9.860 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.216 -6.896 9.769 1.00 0.00 C ATOM 0 H PHE A 55 -1.729 -8.169 7.024 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.714 -8.225 9.640 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.676 -8.489 6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.143 -9.982 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.365 -6.276 8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.941 -10.037 9.381 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.276 -5.090 9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.896 -8.858 10.365 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.059 -6.381 10.206 1.00 0.00 H new ATOM 857 N PRO A 56 -2.891 -10.613 10.566 1.00 0.00 N ATOM 858 CA PRO A 56 -3.374 -9.654 11.553 1.00 0.00 C ATOM 859 C PRO A 56 -2.212 -9.000 12.341 1.00 0.00 C ATOM 860 O PRO A 56 -1.830 -9.422 13.435 1.00 0.00 O ATOM 861 CB PRO A 56 -4.339 -10.459 12.434 1.00 0.00 C ATOM 862 CG PRO A 56 -3.786 -11.886 12.386 1.00 0.00 C ATOM 863 CD PRO A 56 -3.065 -11.978 11.039 1.00 0.00 C ATOM 0 HA PRO A 56 -3.881 -8.803 11.098 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.363 -10.075 13.454 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.359 -10.414 12.053 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.103 -12.074 13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.586 -12.623 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.102 -12.476 11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.647 -12.563 10.327 1.00 0.00 H new ATOM 871 N ASP A 57 -1.778 -7.851 11.837 1.00 0.00 N ATOM 872 CA ASP A 57 -1.068 -6.730 12.433 1.00 0.00 C ATOM 873 C ASP A 57 -1.719 -5.556 11.717 1.00 0.00 C ATOM 874 O ASP A 57 -1.871 -5.604 10.493 1.00 0.00 O ATOM 875 CB ASP A 57 0.437 -6.675 12.101 1.00 0.00 C ATOM 876 CG ASP A 57 1.149 -5.508 12.789 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.474 -4.664 13.429 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.381 -5.422 12.622 1.00 0.00 O ATOM 0 H ASP A 57 -1.944 -7.660 10.849 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.127 -6.766 13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.906 -7.611 12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.564 -6.588 11.022 1.00 0.00 H new ATOM 883 N LEU A 58 -2.199 -4.566 12.457 1.00 0.00 N ATOM 884 CA LEU A 58 -2.835 -3.384 11.920 1.00 0.00 C ATOM 885 C LEU A 58 -2.520 -2.212 12.854 1.00 0.00 C ATOM 886 O LEU A 58 -3.405 -1.427 13.202 1.00 0.00 O ATOM 887 CB LEU A 58 -4.334 -3.664 11.678 1.00 0.00 C ATOM 888 CG LEU A 58 -5.060 -4.481 12.770 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.554 -4.197 12.699 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.888 -6.009 12.638 1.00 0.00 C ATOM 0 H LEU A 58 -2.152 -4.569 13.476 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.448 -3.106 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.847 -2.709 11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.435 -4.193 10.730 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.610 -4.172 13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.071 -4.772 13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.730 -3.134 12.861 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.932 -4.482 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.429 -6.507 13.443 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.284 -6.338 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.830 -6.263 12.700 1.00 0.00 H new ATOM 902 N ASN A 59 -1.266 -2.104 13.310 1.00 0.00 N ATOM 903 CA ASN A 59 -0.791 -1.005 14.154 1.00 0.00 C ATOM 904 C ASN A 59 -0.405 0.205 13.304 1.00 0.00 C ATOM 905 O ASN A 59 -0.901 1.301 13.558 1.00 0.00 O ATOM 906 CB ASN A 59 0.405 -1.448 15.012 1.00 0.00 C ATOM 907 CG ASN A 59 -0.038 -2.364 16.140 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.366 -1.925 17.234 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.125 -3.655 15.878 1.00 0.00 N ATOM 0 H ASN A 59 -0.542 -2.791 13.098 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.607 -0.720 14.818 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.134 -1.963 14.386 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.903 -0.572 15.426 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.469 -4.298 16.591 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.151 -4.009 14.962 1.00 0.00 H new ATOM 916 N GLY A 60 0.461 0.007 12.303 1.00 0.00 N ATOM 917 CA GLY A 60 1.074 1.073 11.509 1.00 0.00 C ATOM 918 C GLY A 60 0.057 1.875 10.703 1.00 0.00 C ATOM 919 O GLY A 60 -1.094 1.454 10.551 1.00 0.00 O ATOM 0 H GLY A 60 0.761 -0.925 12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.616 1.747 12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.806 0.637 10.829 1.00 0.00 H new ATOM 923 N ASP A 61 0.484 3.027 10.170 1.00 0.00 N ATOM 924 CA ASP A 61 -0.412 3.964 9.483 1.00 0.00 C ATOM 925 C ASP A 61 -0.941 3.427 8.157 1.00 0.00 C ATOM 926 O ASP A 61 -1.836 4.020 7.552 1.00 0.00 O ATOM 927 CB ASP A 61 0.233 5.337 9.246 1.00 0.00 C ATOM 928 CG ASP A 61 -0.473 6.403 10.091 1.00 0.00 C ATOM 929 OD1 ASP A 61 -1.679 6.670 9.858 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.170 6.933 11.016 1.00 0.00 O ATOM 0 H ASP A 61 1.456 3.334 10.203 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.253 4.083 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.291 5.300 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.171 5.599 8.190 1.00 0.00 H new ATOM 935 N VAL A 62 -0.382 2.318 7.688 1.00 0.00 N ATOM 936 CA VAL A 62 -0.858 1.561 6.553 1.00 0.00 C ATOM 937 C VAL A 62 -0.860 0.097 6.991 1.00 0.00 C ATOM 938 O VAL A 62 -0.128 -0.315 7.898 1.00 0.00 O ATOM 939 CB VAL A 62 0.037 1.847 5.326 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.470 1.127 4.063 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.171 3.351 5.018 1.00 0.00 C ATOM 0 H VAL A 62 0.451 1.910 8.112 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.866 1.838 6.244 1.00 0.00 H new ATOM 0 HB VAL A 62 1.020 1.460 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.188 1.356 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.477 0.051 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.481 1.464 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.811 3.488 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.814 3.770 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.611 3.860 5.875 1.00 0.00 H new ATOM 951 N VAL A 63 -1.702 -0.702 6.351 1.00 0.00 N ATOM 952 CA VAL A 63 -1.847 -2.117 6.652 1.00 0.00 C ATOM 953 C VAL A 63 -1.749 -2.874 5.312 1.00 0.00 C ATOM 954 O VAL A 63 -1.887 -2.267 4.249 1.00 0.00 O ATOM 955 CB VAL A 63 -3.153 -2.296 7.466 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.277 -3.714 8.029 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.297 -1.326 8.658 1.00 0.00 C ATOM 0 H VAL A 63 -2.311 -0.380 5.599 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.066 -2.539 7.285 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.940 -2.081 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.205 -3.801 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.282 -4.432 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.432 -3.920 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.238 -1.519 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.468 -1.474 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.287 -0.299 8.294 1.00 0.00 H new ATOM 967 N ALA A 64 -1.484 -4.179 5.320 1.00 0.00 N ATOM 968 CA ALA A 64 -1.203 -4.984 4.143 1.00 0.00 C ATOM 969 C ALA A 64 -2.057 -6.250 4.155 1.00 0.00 C ATOM 970 O ALA A 64 -2.120 -6.969 5.162 1.00 0.00 O ATOM 971 CB ALA A 64 0.294 -5.305 4.109 1.00 0.00 C ATOM 0 H ALA A 64 -1.459 -4.722 6.183 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.459 -4.433 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.517 -5.909 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.864 -4.377 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.568 -5.858 5.008 1.00 0.00 H new ATOM 977 N ILE A 65 -2.689 -6.535 3.016 1.00 0.00 N ATOM 978 CA ILE A 65 -3.620 -7.636 2.806 1.00 0.00 C ATOM 979 C ILE A 65 -2.965 -8.628 1.837 1.00 0.00 C ATOM 980 O ILE A 65 -2.194 -8.236 0.959 1.00 0.00 O ATOM 981 CB ILE A 65 -4.982 -7.076 2.349 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.680 -6.409 3.555 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.907 -8.115 1.701 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.396 -7.331 4.561 1.00 0.00 C ATOM 0 H ILE A 65 -2.556 -5.974 2.175 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.833 -8.187 3.722 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.777 -6.347 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.932 -5.833 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.412 -5.699 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.842 -7.638 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.423 -8.533 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.114 -8.913 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.840 -6.729 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.179 -7.891 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.676 -8.026 4.993 1.00 0.00 H new ATOM 996 N ASP A 66 -3.250 -9.918 1.993 1.00 0.00 N ATOM 997 CA ASP A 66 -2.702 -10.957 1.128 1.00 0.00 C ATOM 998 C ASP A 66 -3.267 -10.816 -0.280 1.00 0.00 C ATOM 999 O ASP A 66 -4.458 -10.534 -0.449 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.064 -12.352 1.655 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.825 -13.199 1.873 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -1.190 -13.581 0.857 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -1.529 -13.486 3.049 1.00 0.00 O ATOM 0 H ASP A 66 -3.868 -10.272 2.723 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.618 -10.842 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.612 -12.258 2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.727 -12.849 0.947 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.454 -11.138 -1.287 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.849 -11.215 -2.693 1.00 0.00 C ATOM 1010 C TYR A 67 -4.096 -12.091 -2.898 1.00 0.00 C ATOM 1011 O TYR A 67 -4.863 -11.834 -3.822 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.642 -11.692 -3.524 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.979 -12.266 -4.882 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.089 -11.417 -6.000 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.218 -13.648 -5.010 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.486 -11.949 -7.243 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.627 -14.180 -6.243 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.787 -13.327 -7.356 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.268 -13.837 -8.521 1.00 0.00 O ATOM 0 H TYR A 67 -1.469 -11.360 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.140 -10.223 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.962 -10.852 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.104 -12.448 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.870 -10.364 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.086 -14.299 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.560 -11.306 -8.108 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.819 -15.238 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.418 -14.800 -8.419 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.376 -13.052 -2.006 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.584 -13.878 -2.044 1.00 0.00 C ATOM 1031 C ARG A 68 -6.880 -13.074 -2.179 1.00 0.00 C ATOM 1032 O ARG A 68 -7.838 -13.584 -2.756 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.618 -14.791 -0.804 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.165 -14.130 0.473 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.816 -14.935 1.727 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.234 -14.212 2.933 1.00 0.00 N ATOM 1037 CZ ARG A 68 -5.898 -14.464 4.201 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -5.185 -15.535 4.542 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.307 -13.599 5.123 1.00 0.00 N ATOM 0 H ARG A 68 -3.758 -13.278 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.531 -14.483 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.227 -15.666 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.607 -15.148 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.758 -13.123 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.248 -14.031 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.307 -15.908 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.742 -15.120 1.760 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.858 -13.419 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.878 -16.193 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.945 -15.698 5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.854 -12.783 4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.074 -13.751 6.104 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.943 -11.863 -1.617 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.147 -11.044 -1.635 1.00 0.00 C ATOM 1055 C HIS A 69 -8.254 -10.200 -2.918 1.00 0.00 C ATOM 1056 O HIS A 69 -9.265 -9.507 -3.053 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.190 -10.142 -0.379 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.109 -10.544 0.739 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.533 -11.811 1.076 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.613 -9.673 1.666 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.285 -11.700 2.183 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.351 -10.418 2.580 1.00 0.00 N ATOM 0 H HIS A 69 -6.156 -11.427 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.006 -11.714 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.179 -10.080 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.469 -9.137 -0.697 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.316 -12.674 0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.465 -8.603 1.685 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.769 -12.525 2.684 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.268 -10.210 -3.831 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.135 -9.283 -4.961 1.00 0.00 C ATOM 1072 C TYR A 70 -8.249 -9.448 -6.005 1.00 0.00 C ATOM 1073 O TYR A 70 -8.054 -9.962 -7.108 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.732 -9.389 -5.586 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.414 -8.453 -6.749 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.241 -7.365 -7.098 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.268 -8.715 -7.522 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.905 -6.554 -8.193 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.956 -7.939 -8.652 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.790 -6.857 -9.000 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.568 -6.145 -10.141 1.00 0.00 O ATOM 0 H TYR A 70 -6.512 -10.894 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.254 -8.274 -4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.998 -9.213 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.592 -10.414 -5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.131 -7.156 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.615 -9.528 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.508 -5.687 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.085 -8.170 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.758 -6.478 -10.582 1.00 0.00 H new ATOM 1091 N SER A 71 -9.422 -8.922 -5.681 1.00 0.00 N ATOM 1092 CA SER A 71 -10.596 -8.949 -6.519 1.00 0.00 C ATOM 1093 C SER A 71 -10.529 -7.839 -7.557 1.00 0.00 C ATOM 1094 O SER A 71 -9.987 -6.756 -7.302 1.00 0.00 O ATOM 1095 CB SER A 71 -11.815 -8.779 -5.605 1.00 0.00 C ATOM 1096 OG SER A 71 -13.043 -9.153 -6.181 1.00 0.00 O ATOM 0 H SER A 71 -9.580 -8.448 -4.792 1.00 0.00 H new ATOM 0 HA SER A 71 -10.665 -9.892 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.659 -9.369 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.877 -7.735 -5.297 1.00 0.00 H new ATOM 0 HG SER A 71 -13.600 -8.357 -6.309 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.168 -8.068 -8.705 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.358 -7.087 -9.771 1.00 0.00 C ATOM 1104 C ALA A 72 -12.158 -5.853 -9.322 1.00 0.00 C ATOM 1105 O ALA A 72 -12.080 -4.821 -9.990 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.978 -7.795 -10.969 1.00 0.00 C ATOM 0 H ALA A 72 -11.582 -8.974 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.388 -6.681 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.128 -7.079 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.312 -8.589 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.938 -8.224 -10.681 1.00 0.00 H new ATOM 1112 N SER A 73 -12.832 -5.905 -8.169 1.00 0.00 N ATOM 1113 CA SER A 73 -13.483 -4.768 -7.522 1.00 0.00 C ATOM 1114 C SER A 73 -12.471 -3.696 -7.101 1.00 0.00 C ATOM 1115 O SER A 73 -12.772 -2.504 -7.082 1.00 0.00 O ATOM 1116 CB SER A 73 -14.212 -5.276 -6.273 1.00 0.00 C ATOM 1117 OG SER A 73 -14.857 -6.512 -6.537 1.00 0.00 O ATOM 0 H SER A 73 -12.942 -6.773 -7.644 1.00 0.00 H new ATOM 0 HA SER A 73 -14.175 -4.317 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.501 -5.398 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.947 -4.539 -5.949 1.00 0.00 H new ATOM 0 HG SER A 73 -15.315 -6.821 -5.728 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.243 -4.104 -6.780 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.237 -3.247 -6.169 1.00 0.00 C ATOM 1125 C PHE A 74 -9.249 -2.708 -7.210 1.00 0.00 C ATOM 1126 O PHE A 74 -8.136 -2.315 -6.868 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.538 -4.034 -5.057 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.460 -4.709 -4.044 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.371 -3.966 -3.264 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.378 -6.100 -3.855 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.165 -4.606 -2.291 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.211 -6.745 -2.923 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.105 -5.998 -2.143 1.00 0.00 C ATOM 0 H PHE A 74 -10.918 -5.057 -6.942 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.716 -2.370 -5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.912 -4.799 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.873 -3.357 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.461 -2.900 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.670 -6.678 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.820 -4.023 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.162 -7.818 -2.808 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.746 -6.494 -1.430 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.599 -2.729 -8.505 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.670 -2.471 -9.607 1.00 0.00 C ATOM 1145 C LYS A 75 -8.031 -1.082 -9.519 1.00 0.00 C ATOM 1146 O LYS A 75 -6.909 -0.907 -9.986 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.401 -2.782 -10.939 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.272 -1.728 -12.044 1.00 0.00 C ATOM 1149 CD LYS A 75 -7.909 -1.809 -12.736 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.376 -0.423 -13.094 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.126 -0.519 -13.878 1.00 0.00 N ATOM 0 H LYS A 75 -10.549 -2.929 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.808 -3.135 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.024 -3.730 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.460 -2.924 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.064 -1.870 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.407 -0.734 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.198 -2.315 -12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.995 -2.411 -13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.127 0.122 -13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.194 0.147 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.786 0.437 -14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.404 -1.019 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.308 -1.043 -14.758 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.719 -0.098 -8.942 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.210 1.268 -8.816 1.00 0.00 C ATOM 1167 C LYS A 76 -7.731 1.559 -7.383 1.00 0.00 C ATOM 1168 O LYS A 76 -7.475 2.715 -7.035 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.254 2.239 -9.373 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.530 1.974 -10.858 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.205 3.153 -11.554 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.550 2.768 -13.000 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.949 2.324 -13.187 1.00 0.00 N ATOM 0 H LYS A 76 -9.650 -0.226 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.312 1.406 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.180 2.143 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.906 3.264 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.591 1.749 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.162 1.091 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.110 3.436 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.545 4.020 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.362 3.624 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.880 1.971 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.106 2.082 -14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.130 1.488 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.596 3.090 -12.911 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.577 0.520 -6.557 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.128 0.580 -5.175 1.00 0.00 C ATOM 1189 C GLY A 77 -8.216 0.103 -4.218 1.00 0.00 C ATOM 1190 O GLY A 77 -9.364 -0.128 -4.620 1.00 0.00 O ATOM 0 H GLY A 77 -7.775 -0.435 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.237 -0.036 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.845 1.603 -4.926 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.862 -0.043 -2.943 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.765 -0.392 -1.860 1.00 0.00 C ATOM 1196 C ALA A 78 -8.252 0.174 -0.539 1.00 0.00 C ATOM 1197 O ALA A 78 -7.145 0.717 -0.446 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.899 -1.915 -1.771 1.00 0.00 C ATOM 0 H ALA A 78 -6.900 0.085 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.745 0.040 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.577 -2.174 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.295 -2.301 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.920 -2.356 -1.582 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.074 0.036 0.492 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.855 0.451 1.865 1.00 0.00 C ATOM 1206 C LYS A 79 -9.592 -0.550 2.773 1.00 0.00 C ATOM 1207 O LYS A 79 -10.230 -1.485 2.287 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.323 1.908 2.052 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.708 2.165 1.431 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.570 3.080 2.281 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.014 3.181 1.779 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.887 3.819 2.788 1.00 0.00 N ATOM 0 H LYS A 79 -9.986 -0.406 0.377 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.798 0.441 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.356 2.142 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.595 2.581 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.582 2.606 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.222 1.214 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.573 2.716 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.127 4.076 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.041 3.757 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.391 2.185 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.859 3.874 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.878 3.255 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.539 4.778 2.992 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.443 -0.377 4.080 1.00 0.00 N ATOM 1227 CA LEU A 80 -9.955 -1.192 5.165 1.00 0.00 C ATOM 1228 C LEU A 80 -10.789 -0.263 6.060 1.00 0.00 C ATOM 1229 O LEU A 80 -10.875 0.948 5.805 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.740 -1.773 5.930 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.012 -3.077 6.692 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -8.991 -4.281 5.758 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -7.957 -3.296 7.776 1.00 0.00 C ATOM 0 H LEU A 80 -8.908 0.415 4.437 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.576 -2.019 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.933 -1.948 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.385 -1.024 6.638 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.001 -2.983 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.187 -5.188 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.758 -4.161 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.013 -4.356 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.167 -4.225 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.970 -3.355 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.981 -2.464 8.480 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.320 -0.828 7.146 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.235 -0.255 8.137 1.00 0.00 C ATOM 1247 C LEU A 81 -12.047 1.233 8.343 1.00 0.00 C ATOM 1248 O LEU A 81 -12.991 1.995 8.134 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.135 -1.034 9.458 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.457 -1.064 10.255 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.550 -2.323 11.125 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.594 0.161 11.168 1.00 0.00 C ATOM 0 H LEU A 81 -11.098 -1.796 7.377 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.245 -0.361 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.825 -2.057 9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.357 -0.587 10.077 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.261 -1.060 9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.491 -2.317 11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.506 -3.208 10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.719 -2.341 11.830 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.536 0.105 11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.766 0.181 11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.577 1.068 10.564 1.00 0.00 H new ATOM 1264 N HIS A 82 -10.832 1.630 8.718 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.441 3.039 8.775 1.00 0.00 C ATOM 1266 C HIS A 82 -9.026 3.309 8.240 1.00 0.00 C ATOM 1267 O HIS A 82 -8.525 4.426 8.388 1.00 0.00 O ATOM 1268 CB HIS A 82 -10.665 3.596 10.190 1.00 0.00 C ATOM 1269 CG HIS A 82 -9.779 3.007 11.254 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -8.776 3.663 11.928 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -9.872 1.744 11.767 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.272 2.815 12.836 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -8.896 1.626 12.766 1.00 0.00 N ATOM 0 H HIS A 82 -10.091 0.985 8.991 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.092 3.584 8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.512 4.675 10.168 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.705 3.427 10.470 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.569 0.978 11.460 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.477 3.053 13.527 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.698 0.799 13.330 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.353 2.339 7.608 1.00 0.00 N ATOM 1282 CA LYS A 83 -6.965 2.460 7.170 1.00 0.00 C ATOM 1283 C LYS A 83 -6.759 1.991 5.730 1.00 0.00 C ATOM 1284 O LYS A 83 -7.576 1.222 5.241 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.111 1.658 8.154 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.106 2.401 9.501 1.00 0.00 C ATOM 1287 CD LYS A 83 -4.802 2.261 10.269 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.705 0.998 11.117 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.463 1.030 11.910 1.00 0.00 N ATOM 0 H LYS A 83 -8.769 1.435 7.385 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.669 3.509 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.514 0.653 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.095 1.550 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.302 3.459 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.923 2.025 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.974 2.273 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.680 3.129 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.569 0.924 11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.717 0.116 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.470 0.249 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.644 0.927 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.398 1.936 12.416 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.696 2.423 5.036 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.420 2.009 3.662 1.00 0.00 C ATOM 1305 C PRO A 84 -4.811 0.603 3.631 1.00 0.00 C ATOM 1306 O PRO A 84 -4.283 0.127 4.642 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.458 3.076 3.131 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.693 3.516 4.379 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.684 3.347 5.524 1.00 0.00 C ATOM 0 HA PRO A 84 -6.317 1.942 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.789 2.672 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.993 3.908 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.803 2.906 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.359 4.550 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.191 2.954 6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.128 4.303 5.802 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.857 -0.047 2.460 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.325 -1.397 2.256 1.00 0.00 C ATOM 1319 C ILE A 85 -3.379 -1.411 1.051 1.00 0.00 C ATOM 1320 O ILE A 85 -3.577 -0.669 0.077 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.443 -2.480 2.193 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.163 -2.547 0.826 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.494 -2.213 3.265 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.582 -3.594 -0.131 1.00 0.00 C ATOM 0 H ILE A 85 -5.270 0.357 1.619 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.736 -1.673 3.131 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.939 -3.433 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.218 -2.766 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.112 -1.567 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.270 -2.976 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.025 -2.240 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.939 -1.231 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.140 -3.580 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.535 -3.365 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.658 -4.583 0.322 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.411 -2.318 1.092 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.586 -2.757 -0.035 1.00 0.00 C ATOM 1338 C VAL A 86 -1.834 -4.248 -0.218 1.00 0.00 C ATOM 1339 O VAL A 86 -2.366 -4.886 0.697 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.085 -2.479 0.203 1.00 0.00 C ATOM 1341 CG1 VAL A 86 0.220 -0.996 0.063 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.434 -2.955 1.565 1.00 0.00 C ATOM 0 H VAL A 86 -2.164 -2.796 1.959 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.859 -2.200 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 86 0.431 -3.058 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.283 -0.825 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.043 -0.664 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.361 -0.434 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.495 -2.722 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.115 -2.450 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.291 -4.032 1.653 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.418 -4.816 -1.348 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.370 -6.249 -1.483 1.00 0.00 C ATOM 1354 C TRP A 87 0.075 -6.648 -1.177 1.00 0.00 C ATOM 1355 O TRP A 87 1.017 -5.934 -1.541 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.844 -6.669 -2.874 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.130 -6.039 -3.330 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.346 -4.959 -4.130 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.443 -6.474 -2.924 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.710 -4.728 -4.249 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.433 -5.628 -3.498 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.871 -7.500 -2.080 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.801 -5.804 -3.249 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.225 -7.676 -1.827 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.198 -6.850 -2.408 1.00 0.00 C ATOM 0 H TRP A 87 -1.113 -4.299 -2.173 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.041 -6.762 -0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.063 -6.426 -3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.964 -7.752 -2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.573 -4.370 -4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.122 -3.989 -4.818 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.147 -8.159 -1.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.532 -5.147 -3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.537 -8.470 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.246 -7.020 -2.208 1.00 0.00 H new ATOM 1376 N HIS A 88 0.272 -7.811 -0.567 1.00 0.00 N ATOM 1377 CA HIS A 88 1.554 -8.497 -0.398 1.00 0.00 C ATOM 1378 C HIS A 88 1.423 -9.937 -0.891 1.00 0.00 C ATOM 1379 O HIS A 88 0.298 -10.417 -1.085 1.00 0.00 O ATOM 1380 CB HIS A 88 2.022 -8.471 1.070 1.00 0.00 C ATOM 1381 CG HIS A 88 1.207 -9.312 2.034 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.371 -10.652 2.323 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.202 -8.842 2.836 1.00 0.00 C ATOM 1384 CE1 HIS A 88 0.545 -10.955 3.330 1.00 0.00 C ATOM 1385 NE2 HIS A 88 -0.189 -9.889 3.672 1.00 0.00 N ATOM 0 H HIS A 88 -0.500 -8.333 -0.153 1.00 0.00 H new ATOM 0 HA HIS A 88 2.307 -7.974 -0.987 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.058 -8.808 1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.010 -7.438 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.212 -7.845 2.824 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.479 -11.924 3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.898 -9.849 4.404 1.00 0.00 H new ATOM 1393 N ILE A 89 2.549 -10.639 -1.077 1.00 0.00 N ATOM 1394 CA ILE A 89 2.475 -12.028 -1.558 1.00 0.00 C ATOM 1395 C ILE A 89 3.386 -13.025 -0.847 1.00 0.00 C ATOM 1396 O ILE A 89 3.500 -14.177 -1.269 1.00 0.00 O ATOM 1397 CB ILE A 89 2.752 -11.968 -3.079 1.00 0.00 C ATOM 1398 CG1 ILE A 89 2.052 -13.112 -3.834 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.273 -11.945 -3.332 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.993 -12.876 -5.346 1.00 0.00 C ATOM 0 H ILE A 89 3.491 -10.286 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 89 1.485 -12.423 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 89 2.328 -11.045 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.578 -14.046 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.039 -13.229 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.463 -11.903 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.709 -11.069 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.724 -12.847 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.489 -13.715 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.443 -11.957 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.005 -12.788 -5.740 1.00 0.00 H new ATOM 1412 N ASN A 90 3.953 -12.604 0.274 1.00 0.00 N ATOM 1413 CA ASN A 90 5.060 -13.181 1.020 1.00 0.00 C ATOM 1414 C ASN A 90 5.738 -12.019 1.751 1.00 0.00 C ATOM 1415 O ASN A 90 6.949 -11.802 1.669 1.00 0.00 O ATOM 1416 CB ASN A 90 6.023 -14.050 0.171 1.00 0.00 C ATOM 1417 CG ASN A 90 6.626 -13.476 -1.095 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.564 -14.089 -2.161 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.236 -12.315 -1.004 1.00 0.00 N ATOM 0 H ASN A 90 3.611 -11.759 0.731 1.00 0.00 H new ATOM 0 HA ASN A 90 4.688 -13.913 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.847 -14.351 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.486 -14.958 -0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.672 -11.902 -1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.273 -11.827 -0.109 1.00 0.00 H new ATOM 1426 N GLN A 91 4.905 -11.176 2.367 1.00 0.00 N ATOM 1427 CA GLN A 91 5.271 -9.884 2.927 1.00 0.00 C ATOM 1428 C GLN A 91 5.995 -8.956 1.934 1.00 0.00 C ATOM 1429 O GLN A 91 6.691 -8.050 2.376 1.00 0.00 O ATOM 1430 CB GLN A 91 6.104 -10.107 4.198 1.00 0.00 C ATOM 1431 CG GLN A 91 5.375 -10.892 5.295 1.00 0.00 C ATOM 1432 CD GLN A 91 6.294 -11.086 6.495 1.00 0.00 C ATOM 1433 OE1 GLN A 91 5.955 -10.767 7.627 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.489 -11.608 6.270 1.00 0.00 N ATOM 0 H GLN A 91 3.915 -11.390 2.491 1.00 0.00 H new ATOM 0 HA GLN A 91 4.347 -9.361 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.018 -10.639 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.404 -9.138 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.475 -10.358 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.057 -11.861 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.761 -11.870 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.138 -11.748 7.044 1.00 0.00 H new ATOM 1443 N ALA A 92 5.887 -9.161 0.613 1.00 0.00 N ATOM 1444 CA ALA A 92 6.624 -8.364 -0.365 1.00 0.00 C ATOM 1445 C ALA A 92 5.755 -8.116 -1.586 1.00 0.00 C ATOM 1446 O ALA A 92 4.663 -8.683 -1.684 1.00 0.00 O ATOM 1447 CB ALA A 92 7.921 -9.051 -0.794 1.00 0.00 C ATOM 0 H ALA A 92 5.291 -9.878 0.200 1.00 0.00 H new ATOM 0 HA ALA A 92 6.884 -7.417 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.440 -8.427 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.559 -9.200 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.690 -10.017 -1.244 1.00 0.00 H new ATOM 1453 N THR A 93 6.300 -7.328 -2.510 1.00 0.00 N ATOM 1454 CA THR A 93 5.748 -6.992 -3.803 1.00 0.00 C ATOM 1455 C THR A 93 6.616 -7.658 -4.869 1.00 0.00 C ATOM 1456 O THR A 93 7.695 -8.181 -4.575 1.00 0.00 O ATOM 1457 CB THR A 93 5.621 -5.458 -3.916 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.862 -5.048 -5.037 1.00 0.00 O ATOM 1459 CG2 THR A 93 6.972 -4.739 -3.949 1.00 0.00 C ATOM 0 H THR A 93 7.203 -6.880 -2.355 1.00 0.00 H new ATOM 0 HA THR A 93 4.736 -7.371 -3.947 1.00 0.00 H new ATOM 0 HB THR A 93 5.095 -5.170 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.944 -4.078 -5.151 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.810 -3.664 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.522 -4.956 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.547 -5.084 -4.808 1.00 0.00 H new ATOM 1467 N THR A 94 6.104 -7.697 -6.093 1.00 0.00 N ATOM 1468 CA THR A 94 6.654 -8.433 -7.222 1.00 0.00 C ATOM 1469 C THR A 94 6.222 -7.700 -8.496 1.00 0.00 C ATOM 1470 O THR A 94 5.331 -6.848 -8.435 1.00 0.00 O ATOM 1471 CB THR A 94 6.078 -9.866 -7.196 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.661 -9.825 -7.278 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.472 -10.660 -5.941 1.00 0.00 C ATOM 0 H THR A 94 5.252 -7.191 -6.336 1.00 0.00 H new ATOM 0 HA THR A 94 7.742 -8.492 -7.181 1.00 0.00 H new ATOM 0 HB THR A 94 6.506 -10.377 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.297 -10.718 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.034 -11.657 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.558 -10.743 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.105 -10.144 -5.054 1.00 0.00 H new ATOM 1481 N LYS A 95 6.715 -8.084 -9.681 1.00 0.00 N ATOM 1482 CA LYS A 95 6.098 -7.597 -10.919 1.00 0.00 C ATOM 1483 C LYS A 95 4.635 -8.013 -11.034 1.00 0.00 C ATOM 1484 O LYS A 95 3.899 -7.341 -11.757 1.00 0.00 O ATOM 1485 CB LYS A 95 6.874 -8.003 -12.177 1.00 0.00 C ATOM 1486 CG LYS A 95 7.918 -6.934 -12.516 1.00 0.00 C ATOM 1487 CD LYS A 95 8.459 -7.154 -13.931 1.00 0.00 C ATOM 1488 CE LYS A 95 9.483 -6.086 -14.331 1.00 0.00 C ATOM 1489 NZ LYS A 95 10.652 -6.076 -13.428 1.00 0.00 N ATOM 0 H LYS A 95 7.511 -8.709 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 95 6.138 -6.510 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.364 -8.964 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.187 -8.130 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.472 -5.942 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.736 -6.972 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.921 -8.139 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.631 -7.145 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.816 -6.267 -15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.007 -5.105 -14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.386 -5.451 -13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.364 -5.730 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.031 -7.041 -13.339 1.00 0.00 H new ATOM 1503 N THR A 96 4.172 -9.059 -10.354 1.00 0.00 N ATOM 1504 CA THR A 96 2.763 -9.429 -10.369 1.00 0.00 C ATOM 1505 C THR A 96 1.930 -8.328 -9.685 1.00 0.00 C ATOM 1506 O THR A 96 0.873 -7.948 -10.193 1.00 0.00 O ATOM 1507 CB THR A 96 2.594 -10.822 -9.732 1.00 0.00 C ATOM 1508 OG1 THR A 96 3.595 -11.692 -10.238 1.00 0.00 O ATOM 1509 CG2 THR A 96 1.219 -11.425 -10.034 1.00 0.00 C ATOM 0 H THR A 96 4.758 -9.668 -9.783 1.00 0.00 H new ATOM 0 HA THR A 96 2.390 -9.505 -11.390 1.00 0.00 H new ATOM 0 HB THR A 96 2.687 -10.707 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.492 -12.579 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.142 -12.407 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.441 -10.772 -9.638 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.095 -11.526 -11.112 1.00 0.00 H new ATOM 1517 N THR A 97 2.427 -7.757 -8.586 1.00 0.00 N ATOM 1518 CA THR A 97 1.660 -6.957 -7.635 1.00 0.00 C ATOM 1519 C THR A 97 2.107 -5.485 -7.635 1.00 0.00 C ATOM 1520 O THR A 97 1.551 -4.664 -6.911 1.00 0.00 O ATOM 1521 CB THR A 97 1.774 -7.639 -6.254 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.132 -7.772 -5.880 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.189 -9.055 -6.200 1.00 0.00 C ATOM 0 H THR A 97 3.410 -7.843 -8.327 1.00 0.00 H new ATOM 0 HA THR A 97 0.609 -6.919 -7.922 1.00 0.00 H new ATOM 0 HB THR A 97 1.207 -6.991 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.548 -8.486 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.310 -9.461 -5.196 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.129 -9.021 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.711 -9.692 -6.914 1.00 0.00 H new ATOM 1531 N PHE A 98 3.058 -5.110 -8.488 1.00 0.00 N ATOM 1532 CA PHE A 98 3.640 -3.777 -8.572 1.00 0.00 C ATOM 1533 C PHE A 98 2.575 -2.789 -9.028 1.00 0.00 C ATOM 1534 O PHE A 98 2.218 -1.883 -8.280 1.00 0.00 O ATOM 1535 CB PHE A 98 4.884 -3.812 -9.475 1.00 0.00 C ATOM 1536 CG PHE A 98 5.016 -2.724 -10.523 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.274 -1.397 -10.138 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.886 -3.043 -11.888 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.467 -0.407 -11.116 1.00 0.00 C ATOM 1540 CE2 PHE A 98 5.098 -2.060 -12.866 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.402 -0.744 -12.479 1.00 0.00 C ATOM 0 H PHE A 98 3.459 -5.756 -9.167 1.00 0.00 H new ATOM 0 HA PHE A 98 3.982 -3.437 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.766 -3.772 -8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.903 -4.775 -9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.324 -1.138 -9.091 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.622 -4.048 -12.183 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.665 0.613 -10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.028 -2.314 -13.913 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.586 0.010 -13.230 1.00 0.00 H new ATOM 1551 N LYS A 99 2.017 -2.999 -10.225 1.00 0.00 N ATOM 1552 CA LYS A 99 0.954 -2.184 -10.803 1.00 0.00 C ATOM 1553 C LYS A 99 -0.175 -1.903 -9.805 1.00 0.00 C ATOM 1554 O LYS A 99 -0.429 -0.728 -9.524 1.00 0.00 O ATOM 1555 CB LYS A 99 0.407 -2.855 -12.064 1.00 0.00 C ATOM 1556 CG LYS A 99 1.052 -2.301 -13.342 1.00 0.00 C ATOM 1557 CD LYS A 99 0.363 -2.768 -14.634 1.00 0.00 C ATOM 1558 CE LYS A 99 0.725 -4.219 -14.949 1.00 0.00 C ATOM 1559 NZ LYS A 99 0.168 -4.691 -16.229 1.00 0.00 N ATOM 0 H LYS A 99 2.305 -3.765 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 99 1.387 -1.219 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.582 -3.929 -12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.672 -2.710 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.034 -1.212 -13.305 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.099 -2.602 -13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.718 -2.673 -14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.661 -2.126 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.810 -4.319 -14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.364 -4.860 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.448 -5.680 -16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.870 -4.625 -16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.532 -4.101 -17.004 1.00 0.00 H new ATOM 1573 N PRO A 100 -0.833 -2.926 -9.226 1.00 0.00 N ATOM 1574 CA PRO A 100 -1.896 -2.691 -8.251 1.00 0.00 C ATOM 1575 C PRO A 100 -1.386 -1.960 -7.015 1.00 0.00 C ATOM 1576 O PRO A 100 -2.106 -1.127 -6.475 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.483 -4.056 -7.890 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.496 -5.081 -8.435 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.673 -4.353 -9.484 1.00 0.00 C ATOM 0 HA PRO A 100 -2.661 -2.044 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.601 -4.160 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.470 -4.188 -8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.859 -5.470 -7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.019 -5.933 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.376 -4.642 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.015 -4.606 -10.488 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.134 -2.155 -6.594 1.00 0.00 N ATOM 1588 CA ASN A 101 0.392 -1.427 -5.448 1.00 0.00 C ATOM 1589 C ASN A 101 0.614 0.052 -5.754 1.00 0.00 C ATOM 1590 O ASN A 101 0.490 0.864 -4.844 1.00 0.00 O ATOM 1591 CB ASN A 101 1.683 -2.084 -4.969 1.00 0.00 C ATOM 1592 CG ASN A 101 1.408 -3.105 -3.876 1.00 0.00 C ATOM 1593 OD1 ASN A 101 0.334 -3.177 -3.280 1.00 0.00 O ATOM 1594 ND2 ASN A 101 2.296 -4.039 -3.676 1.00 0.00 N ATOM 0 H ASN A 101 0.524 -2.804 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.352 -1.472 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.180 -2.571 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.365 -1.321 -4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.093 -4.808 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.194 -4.001 -4.159 1.00 0.00 H new ATOM 1601 N THR A 102 0.879 0.440 -7.008 1.00 0.00 N ATOM 1602 CA THR A 102 1.073 1.857 -7.348 1.00 0.00 C ATOM 1603 C THR A 102 -0.079 2.740 -6.845 1.00 0.00 C ATOM 1604 O THR A 102 0.118 3.806 -6.262 1.00 0.00 O ATOM 1605 CB THR A 102 1.292 2.108 -8.842 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.128 1.891 -9.627 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.387 1.286 -9.509 1.00 0.00 C ATOM 0 H THR A 102 0.964 -0.200 -7.798 1.00 0.00 H new ATOM 0 HA THR A 102 1.990 2.137 -6.830 1.00 0.00 H new ATOM 0 HB THR A 102 1.590 3.156 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.032 0.933 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.449 1.551 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.342 1.493 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.155 0.225 -9.414 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.297 2.245 -7.032 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.558 2.841 -6.645 1.00 0.00 C ATOM 1617 C TRP A 103 -2.678 3.064 -5.148 1.00 0.00 C ATOM 1618 O TRP A 103 -3.586 3.800 -4.755 1.00 0.00 O ATOM 1619 CB TRP A 103 -3.677 1.892 -7.077 1.00 0.00 C ATOM 1620 CG TRP A 103 -3.936 1.827 -8.539 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.454 0.885 -9.370 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -4.788 2.691 -9.341 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.049 1.030 -10.607 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -4.904 2.116 -10.636 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.513 3.874 -9.086 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.773 2.655 -11.596 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.354 4.444 -10.060 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.493 3.827 -11.314 1.00 0.00 C ATOM 0 H TRP A 103 -1.432 1.346 -7.495 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.625 3.817 -7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.435 0.889 -6.724 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.597 2.193 -6.576 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.720 0.136 -9.111 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.879 0.413 -11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.421 4.353 -8.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.888 2.168 -12.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.892 5.355 -9.843 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.151 4.252 -12.058 1.00 0.00 H new ATOM 1639 N CYS A 104 -1.811 2.461 -4.324 1.00 0.00 N ATOM 1640 CA CYS A 104 -1.924 2.656 -2.894 1.00 0.00 C ATOM 1641 C CYS A 104 -1.216 3.966 -2.622 1.00 0.00 C ATOM 1642 O CYS A 104 -1.776 4.836 -1.959 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.350 1.466 -2.119 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.257 1.921 -0.358 1.00 0.00 S ATOM 0 H CYS A 104 -1.048 1.853 -4.622 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.958 2.708 -2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -1.981 0.587 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.361 1.208 -2.497 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.046 1.151 0.331 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.053 4.159 -3.254 1.00 0.00 N ATOM 1651 CA LEU A 105 0.665 5.406 -3.155 1.00 0.00 C ATOM 1652 C LEU A 105 -0.229 6.529 -3.650 1.00 0.00 C ATOM 1653 O LEU A 105 -0.383 7.526 -2.955 1.00 0.00 O ATOM 1654 CB LEU A 105 1.963 5.326 -3.954 1.00 0.00 C ATOM 1655 CG LEU A 105 2.939 4.237 -3.484 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.154 4.178 -1.977 1.00 0.00 C ATOM 1657 CD2 LEU A 105 2.812 2.855 -4.066 1.00 0.00 C ATOM 0 H LEU A 105 0.401 3.457 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 105 0.932 5.606 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.719 5.149 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.465 6.292 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 105 3.845 4.626 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.858 3.380 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.555 5.130 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.203 3.982 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.572 2.206 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.823 2.455 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.949 2.901 -5.146 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.927 6.334 -4.779 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.801 7.394 -5.289 1.00 0.00 C ATOM 1671 C ARG A 106 -2.946 7.766 -4.334 1.00 0.00 C ATOM 1672 O ARG A 106 -3.528 8.837 -4.493 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.351 7.061 -6.680 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.275 6.732 -7.720 1.00 0.00 C ATOM 1675 CD ARG A 106 -1.881 6.712 -9.128 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.654 7.954 -9.873 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.024 8.116 -11.039 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -0.524 7.081 -11.708 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.898 9.331 -11.554 1.00 0.00 N ATOM 0 H ARG A 106 -0.905 5.481 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.162 8.274 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.030 6.213 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.939 7.906 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.475 7.471 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.828 5.764 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.457 5.878 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.953 6.532 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.025 8.803 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.618 6.137 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.047 7.231 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.281 10.137 -11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.418 9.460 -12.444 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.309 6.907 -3.376 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.311 7.225 -2.366 1.00 0.00 C ATOM 1695 C CYS A 107 -3.666 7.960 -1.180 1.00 0.00 C ATOM 1696 O CYS A 107 -4.306 8.828 -0.588 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.010 5.926 -1.935 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.696 6.257 -1.335 1.00 0.00 S ATOM 0 H CYS A 107 -2.913 5.972 -3.283 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.062 7.899 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.049 5.234 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.430 5.441 -1.150 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.469 6.534 -2.343 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.409 7.641 -0.850 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.641 8.303 0.205 1.00 0.00 C ATOM 1706 C LEU A 108 -1.189 9.710 -0.215 1.00 0.00 C ATOM 1707 O LEU A 108 -0.888 10.528 0.654 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.393 7.471 0.563 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.636 6.064 1.139 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.709 5.342 1.296 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.341 6.101 2.497 1.00 0.00 C ATOM 0 H LEU A 108 -1.889 6.900 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.298 8.389 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.216 7.369 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.196 8.036 1.285 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.286 5.535 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.541 4.345 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.193 5.259 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.349 5.908 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.488 5.083 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.729 6.654 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.308 6.592 2.391 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.102 9.999 -1.517 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.789 11.311 -2.068 1.00 0.00 C ATOM 1725 C TRP A 109 -1.812 12.334 -1.555 1.00 0.00 C ATOM 1726 O TRP A 109 -3.019 12.093 -1.613 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.791 11.223 -3.605 1.00 0.00 C ATOM 1728 CG TRP A 109 0.282 10.422 -4.291 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.299 9.748 -3.708 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.423 10.170 -5.723 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.045 9.100 -4.670 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.561 9.337 -5.935 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.336 10.505 -6.863 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.956 8.899 -7.210 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.066 10.099 -8.144 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.196 9.288 -8.325 1.00 0.00 C ATOM 0 H TRP A 109 -1.254 9.295 -2.239 1.00 0.00 H new ATOM 0 HA TRP A 109 0.200 11.637 -1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.754 10.813 -3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.741 12.240 -3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.498 9.721 -2.647 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.857 8.516 -4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.241 11.083 -6.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.829 8.274 -7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.504 10.416 -9.005 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.480 8.965 -9.316 1.00 0.00 H new ATOM 1747 N SER A 110 -1.339 13.463 -1.026 1.00 0.00 N ATOM 1748 CA SER A 110 -2.195 14.569 -0.598 1.00 0.00 C ATOM 1749 C SER A 110 -2.481 15.469 -1.802 1.00 0.00 C ATOM 1750 O SER A 110 -1.719 15.489 -2.768 1.00 0.00 O ATOM 1751 CB SER A 110 -1.505 15.357 0.524 1.00 0.00 C ATOM 1752 OG SER A 110 -1.549 14.631 1.741 1.00 0.00 O ATOM 0 H SER A 110 -0.344 13.636 -0.882 1.00 0.00 H new ATOM 0 HA SER A 110 -3.138 14.185 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.469 15.558 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.994 16.323 0.652 1.00 0.00 H new ATOM 0 HG SER A 110 -1.103 15.146 2.446 1.00 0.00 H new