USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 85 GLN : amide:sc= 2.25 K(o=3.6,f=1.6) USER MOD Set 1.2: A 125 SER OG : rot 2:sc= 1.35 USER MOD Set 2.1: A 21 TYR OH : rot -169:sc= 1.16 USER MOD Set 2.2: A 113 CYS SG : rot 83:sc= 0.944 USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0044) USER MOD Single : A 23 HIS : no HE2:sc= 0.467 K(o=0.47,f=-2.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.166 USER MOD Single : A 35 HIS : no HE2:sc= -0.267 X(o=-0.27,f=-0.17) USER MOD Single : A 57 SER OG : rot -27:sc= 0.0544 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.07) USER MOD Single : A 72 CYS SG : rot 130:sc= -0.869 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.788 K(o=0.79,f=-1.7!) USER MOD Single : A 78 ASN : amide:sc= 1.2 K(o=1.2,f=-3.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 72:sc= 1.26 USER MOD Single : A 95 SER OG : rot 75:sc= 0.164 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 164:sc=-0.00138 (180deg=-0.142) USER MOD Single : A 102 GLN : amide:sc=-0.000695 X(o=-0.00069,f=-0.37) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.915) USER MOD Single : A 104 MET CE :methyl -173:sc= -0.0627 (180deg=-0.225) USER MOD Single : A 105 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.018) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 36:sc= 1.2 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.481 K(o=0.48,f=-0.047) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 119 GLN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 5.206 -5.116 5.985 1.00 0.00 N ATOM 90 CA GLU A 7 5.077 -4.318 7.213 1.00 0.00 C ATOM 91 C GLU A 7 3.884 -3.348 7.099 1.00 0.00 C ATOM 92 O GLU A 7 3.861 -2.545 6.158 1.00 0.00 O ATOM 93 CB GLU A 7 6.377 -3.534 7.477 1.00 0.00 C ATOM 94 CG GLU A 7 6.347 -2.779 8.811 1.00 0.00 C ATOM 95 CD GLU A 7 7.699 -2.109 9.090 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.977 -1.034 8.508 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.497 -2.649 9.891 1.00 0.00 O ATOM 0 HA GLU A 7 4.898 -4.993 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.221 -4.224 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.541 -2.825 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.560 -2.025 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.105 -3.469 9.619 1.00 0.00 H new ATOM 104 N PRO A 8 2.913 -3.385 8.035 1.00 0.00 N ATOM 105 CA PRO A 8 1.848 -2.395 8.127 1.00 0.00 C ATOM 106 C PRO A 8 2.348 -1.125 8.825 1.00 0.00 C ATOM 107 O PRO A 8 3.177 -1.165 9.733 1.00 0.00 O ATOM 108 CB PRO A 8 0.724 -3.071 8.907 1.00 0.00 C ATOM 109 CG PRO A 8 1.472 -4.025 9.833 1.00 0.00 C ATOM 110 CD PRO A 8 2.722 -4.415 9.050 1.00 0.00 C ATOM 0 HA PRO A 8 1.499 -2.075 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.130 -2.348 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.039 -3.604 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.729 -3.543 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.867 -4.899 10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.589 -4.476 9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.601 -5.396 8.590 1.00 0.00 H new ATOM 118 N LYS A 9 1.828 0.015 8.376 1.00 0.00 N ATOM 119 CA LYS A 9 2.121 1.363 8.881 1.00 0.00 C ATOM 120 C LYS A 9 0.963 1.864 9.773 1.00 0.00 C ATOM 121 O LYS A 9 -0.147 1.326 9.691 1.00 0.00 O ATOM 122 CB LYS A 9 2.357 2.288 7.665 1.00 0.00 C ATOM 123 CG LYS A 9 3.766 2.208 7.052 1.00 0.00 C ATOM 124 CD LYS A 9 4.195 0.795 6.616 1.00 0.00 C ATOM 125 CE LYS A 9 5.509 0.779 5.818 1.00 0.00 C ATOM 126 NZ LYS A 9 5.360 1.346 4.449 1.00 0.00 N ATOM 0 H LYS A 9 1.155 0.029 7.610 1.00 0.00 H new ATOM 0 HA LYS A 9 3.016 1.357 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.627 2.043 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.167 3.318 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.810 2.870 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.486 2.584 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.307 0.168 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.404 0.353 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.265 1.346 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.871 -0.246 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.267 1.279 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.635 0.812 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.074 2.344 4.516 1.00 0.00 H new ATOM 140 N PRO A 10 1.181 2.873 10.647 1.00 0.00 N ATOM 141 CA PRO A 10 0.138 3.350 11.548 1.00 0.00 C ATOM 142 C PRO A 10 -1.062 3.873 10.757 1.00 0.00 C ATOM 143 O PRO A 10 -0.913 4.647 9.811 1.00 0.00 O ATOM 144 CB PRO A 10 0.780 4.401 12.450 1.00 0.00 C ATOM 145 CG PRO A 10 1.967 4.884 11.621 1.00 0.00 C ATOM 146 CD PRO A 10 2.408 3.621 10.878 1.00 0.00 C ATOM 0 HA PRO A 10 -0.262 2.548 12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.090 5.213 12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.098 3.976 13.402 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.681 5.678 10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.764 5.280 12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.903 3.868 9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.118 3.042 11.469 1.00 0.00 H new ATOM 154 N GLY A 11 -2.243 3.391 11.147 1.00 0.00 N ATOM 155 CA GLY A 11 -3.522 3.667 10.492 1.00 0.00 C ATOM 156 C GLY A 11 -3.943 2.657 9.416 1.00 0.00 C ATOM 157 O GLY A 11 -5.056 2.762 8.894 1.00 0.00 O ATOM 0 H GLY A 11 -2.338 2.777 11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.300 3.705 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.472 4.656 10.037 1.00 0.00 H new ATOM 161 N ASP A 12 -3.087 1.694 9.068 1.00 0.00 N ATOM 162 CA ASP A 12 -3.368 0.697 8.029 1.00 0.00 C ATOM 163 C ASP A 12 -4.525 -0.237 8.411 1.00 0.00 C ATOM 164 O ASP A 12 -4.649 -0.694 9.550 1.00 0.00 O ATOM 165 CB ASP A 12 -2.119 -0.126 7.676 1.00 0.00 C ATOM 166 CG ASP A 12 -1.111 0.603 6.761 1.00 0.00 C ATOM 167 OD1 ASP A 12 -1.279 1.810 6.453 1.00 0.00 O ATOM 168 OD2 ASP A 12 -0.155 -0.070 6.308 1.00 0.00 O ATOM 0 H ASP A 12 -2.171 1.582 9.502 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.672 1.260 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.613 -0.410 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.433 -1.048 7.188 1.00 0.00 H new ATOM 173 N LEU A 13 -5.351 -0.534 7.407 1.00 0.00 N ATOM 174 CA LEU A 13 -6.447 -1.494 7.462 1.00 0.00 C ATOM 175 C LEU A 13 -5.890 -2.879 7.120 1.00 0.00 C ATOM 176 O LEU A 13 -5.834 -3.277 5.954 1.00 0.00 O ATOM 177 CB LEU A 13 -7.543 -0.995 6.498 1.00 0.00 C ATOM 178 CG LEU A 13 -8.748 -1.926 6.294 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.400 -2.300 7.626 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.788 -1.221 5.409 1.00 0.00 C ATOM 0 H LEU A 13 -5.268 -0.090 6.493 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.899 -1.581 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.910 -0.036 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.085 -0.811 5.526 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.393 -2.840 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.249 -2.959 7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.672 -2.811 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.744 -1.396 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.645 -1.878 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.115 -0.301 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.342 -0.983 4.443 1.00 0.00 H new ATOM 192 N ILE A 14 -5.448 -3.598 8.151 1.00 0.00 N ATOM 193 CA ILE A 14 -4.878 -4.944 8.034 1.00 0.00 C ATOM 194 C ILE A 14 -6.024 -5.961 7.920 1.00 0.00 C ATOM 195 O ILE A 14 -6.966 -5.918 8.707 1.00 0.00 O ATOM 196 CB ILE A 14 -3.961 -5.279 9.237 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.978 -4.134 9.588 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.173 -6.565 8.916 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.107 -4.433 10.812 1.00 0.00 C ATOM 0 H ILE A 14 -5.476 -3.256 9.112 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.257 -4.989 7.139 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.599 -5.419 10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.333 -3.943 8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.545 -3.221 9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.523 -6.812 9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.870 -7.385 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.568 -6.408 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.443 -3.590 11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.744 -4.595 11.681 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.513 -5.328 10.626 1.00 0.00 H new ATOM 211 N GLU A 15 -5.931 -6.878 6.963 1.00 0.00 N ATOM 212 CA GLU A 15 -6.814 -8.028 6.793 1.00 0.00 C ATOM 213 C GLU A 15 -6.085 -9.274 7.319 1.00 0.00 C ATOM 214 O GLU A 15 -5.123 -9.749 6.717 1.00 0.00 O ATOM 215 CB GLU A 15 -7.179 -8.143 5.301 1.00 0.00 C ATOM 216 CG GLU A 15 -8.498 -8.886 5.062 1.00 0.00 C ATOM 217 CD GLU A 15 -8.758 -9.077 3.555 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.580 -8.117 2.761 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.141 -10.205 3.155 1.00 0.00 O ATOM 0 H GLU A 15 -5.203 -6.838 6.250 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.742 -7.920 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.249 -7.144 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.377 -8.661 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.467 -9.857 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.320 -8.327 5.509 1.00 0.00 H new ATOM 226 N ILE A 16 -6.517 -9.781 8.472 1.00 0.00 N ATOM 227 CA ILE A 16 -6.004 -10.979 9.152 1.00 0.00 C ATOM 228 C ILE A 16 -6.743 -12.193 8.590 1.00 0.00 C ATOM 229 O ILE A 16 -7.972 -12.252 8.659 1.00 0.00 O ATOM 230 CB ILE A 16 -6.248 -10.861 10.680 1.00 0.00 C ATOM 231 CG1 ILE A 16 -5.899 -9.484 11.297 1.00 0.00 C ATOM 232 CG2 ILE A 16 -5.502 -11.993 11.403 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.420 -9.093 11.229 1.00 0.00 C ATOM 0 H ILE A 16 -7.279 -9.344 8.991 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.932 -11.084 8.985 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.324 -10.956 10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.484 -8.718 10.789 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.211 -9.483 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.671 -11.913 12.477 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.870 -12.956 11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.434 -11.915 11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.281 -8.114 11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.823 -9.832 11.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.101 -9.055 10.187 1.00 0.00 H new ATOM 245 N PHE A 17 -6.012 -13.176 8.060 1.00 0.00 N ATOM 246 CA PHE A 17 -6.613 -14.373 7.468 1.00 0.00 C ATOM 247 C PHE A 17 -7.321 -15.253 8.520 1.00 0.00 C ATOM 248 O PHE A 17 -8.345 -15.874 8.227 1.00 0.00 O ATOM 249 CB PHE A 17 -5.513 -15.139 6.721 1.00 0.00 C ATOM 250 CG PHE A 17 -6.027 -16.326 5.933 1.00 0.00 C ATOM 251 CD1 PHE A 17 -6.657 -16.123 4.691 1.00 0.00 C ATOM 252 CD2 PHE A 17 -5.903 -17.630 6.449 1.00 0.00 C ATOM 253 CE1 PHE A 17 -7.161 -17.220 3.969 1.00 0.00 C ATOM 254 CE2 PHE A 17 -6.408 -18.726 5.727 1.00 0.00 C ATOM 255 CZ PHE A 17 -7.036 -18.523 4.486 1.00 0.00 C ATOM 0 H PHE A 17 -4.993 -13.165 8.029 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.395 -14.078 6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.004 -14.456 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.771 -15.485 7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.754 -15.124 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.419 -17.789 7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.645 -17.062 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.313 -19.725 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.422 -19.365 3.930 1.00 0.00 H new ATOM 265 N ARG A 18 -6.783 -15.268 9.752 1.00 0.00 N ATOM 266 CA ARG A 18 -7.262 -16.037 10.912 1.00 0.00 C ATOM 267 C ARG A 18 -7.648 -17.494 10.554 1.00 0.00 C ATOM 268 O ARG A 18 -6.929 -18.143 9.791 1.00 0.00 O ATOM 269 CB ARG A 18 -8.270 -15.194 11.742 1.00 0.00 C ATOM 270 CG ARG A 18 -7.655 -14.747 13.087 1.00 0.00 C ATOM 271 CD ARG A 18 -7.373 -15.879 14.093 1.00 0.00 C ATOM 272 NE ARG A 18 -6.488 -15.404 15.175 1.00 0.00 N ATOM 273 CZ ARG A 18 -6.202 -16.024 16.315 1.00 0.00 C ATOM 274 NH1 ARG A 18 -6.772 -17.159 16.664 1.00 0.00 N ATOM 275 NH2 ARG A 18 -5.318 -15.487 17.130 1.00 0.00 N ATOM 0 H ARG A 18 -5.957 -14.713 9.977 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.442 -16.215 11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.573 -14.318 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.170 -15.780 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.721 -14.223 12.884 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.328 -14.028 13.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.311 -16.240 14.515 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.909 -16.722 13.580 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.046 -14.496 15.031 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.461 -17.594 16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.525 -17.603 17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.864 -14.608 16.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.087 -15.950 18.009 1.00 0.00 H new ATOM 289 N LEU A 19 -8.707 -18.048 11.155 1.00 0.00 N ATOM 290 CA LEU A 19 -9.044 -19.477 11.124 1.00 0.00 C ATOM 291 C LEU A 19 -10.499 -19.645 10.663 1.00 0.00 C ATOM 292 O LEU A 19 -11.425 -19.262 11.376 1.00 0.00 O ATOM 293 CB LEU A 19 -8.816 -20.050 12.539 1.00 0.00 C ATOM 294 CG LEU A 19 -7.350 -20.052 13.028 1.00 0.00 C ATOM 295 CD1 LEU A 19 -7.302 -20.508 14.491 1.00 0.00 C ATOM 296 CD2 LEU A 19 -6.449 -20.961 12.179 1.00 0.00 C ATOM 0 H LEU A 19 -9.375 -17.497 11.694 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.414 -20.021 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.415 -19.476 13.245 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.190 -21.074 12.562 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.971 -19.035 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.269 -20.510 14.838 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.889 -19.825 15.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.714 -21.514 14.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.430 -20.926 12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.819 -21.985 12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.457 -20.618 11.145 1.00 0.00 H new ATOM 308 N GLY A 20 -10.701 -20.162 9.445 1.00 0.00 N ATOM 309 CA GLY A 20 -12.024 -20.359 8.824 1.00 0.00 C ATOM 310 C GLY A 20 -12.721 -19.074 8.348 1.00 0.00 C ATOM 311 O GLY A 20 -13.739 -19.161 7.658 1.00 0.00 O ATOM 0 H GLY A 20 -9.932 -20.464 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.912 -21.029 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.673 -20.861 9.541 1.00 0.00 H new ATOM 315 N TYR A 21 -12.194 -17.894 8.696 1.00 0.00 N ATOM 316 CA TYR A 21 -12.797 -16.578 8.450 1.00 0.00 C ATOM 317 C TYR A 21 -11.787 -15.431 8.662 1.00 0.00 C ATOM 318 O TYR A 21 -11.201 -15.294 9.742 1.00 0.00 O ATOM 319 CB TYR A 21 -14.015 -16.389 9.371 1.00 0.00 C ATOM 320 CG TYR A 21 -14.671 -15.027 9.246 1.00 0.00 C ATOM 321 CD1 TYR A 21 -15.365 -14.694 8.067 1.00 0.00 C ATOM 322 CD2 TYR A 21 -14.552 -14.082 10.287 1.00 0.00 C ATOM 323 CE1 TYR A 21 -15.915 -13.408 7.914 1.00 0.00 C ATOM 324 CE2 TYR A 21 -15.102 -12.794 10.140 1.00 0.00 C ATOM 325 CZ TYR A 21 -15.772 -12.450 8.943 1.00 0.00 C ATOM 326 OH TYR A 21 -16.277 -11.199 8.773 1.00 0.00 O ATOM 0 H TYR A 21 -11.297 -17.827 9.177 1.00 0.00 H new ATOM 0 HA TYR A 21 -13.113 -16.543 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -14.752 -17.159 9.145 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.704 -16.539 10.405 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -15.475 -15.426 7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -14.038 -14.347 11.199 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.447 -13.153 7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.013 -12.072 10.938 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.951 -10.614 9.489 1.00 0.00 H new ATOM 336 N GLU A 22 -11.614 -14.597 7.637 1.00 0.00 N ATOM 337 CA GLU A 22 -10.752 -13.413 7.640 1.00 0.00 C ATOM 338 C GLU A 22 -11.438 -12.211 8.319 1.00 0.00 C ATOM 339 O GLU A 22 -12.645 -12.010 8.158 1.00 0.00 O ATOM 340 CB GLU A 22 -10.350 -13.021 6.201 1.00 0.00 C ATOM 341 CG GLU A 22 -9.870 -14.173 5.301 1.00 0.00 C ATOM 342 CD GLU A 22 -11.007 -14.760 4.442 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.958 -15.366 4.995 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.957 -14.619 3.197 1.00 0.00 O ATOM 0 H GLU A 22 -12.090 -14.732 6.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.859 -13.673 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.205 -12.544 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.558 -12.274 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.074 -13.814 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.443 -14.961 5.921 1.00 0.00 H new ATOM 351 N HIS A 23 -10.684 -11.367 9.028 1.00 0.00 N ATOM 352 CA HIS A 23 -11.214 -10.174 9.708 1.00 0.00 C ATOM 353 C HIS A 23 -10.245 -8.974 9.687 1.00 0.00 C ATOM 354 O HIS A 23 -9.052 -9.117 9.413 1.00 0.00 O ATOM 355 CB HIS A 23 -11.638 -10.526 11.149 1.00 0.00 C ATOM 356 CG HIS A 23 -10.498 -10.622 12.139 1.00 0.00 C ATOM 357 ND1 HIS A 23 -9.926 -9.576 12.833 1.00 0.00 N ATOM 358 CD2 HIS A 23 -9.863 -11.766 12.547 1.00 0.00 C ATOM 359 CE1 HIS A 23 -8.974 -10.081 13.637 1.00 0.00 C ATOM 360 NE2 HIS A 23 -8.892 -11.415 13.496 1.00 0.00 N ATOM 0 H HIS A 23 -9.679 -11.490 9.150 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.091 -9.854 9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.343 -9.772 11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.169 -11.478 11.134 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.181 -8.592 12.751 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.074 -12.766 12.198 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.360 -9.495 14.304 1.00 0.00 H new ATOM 368 N TRP A 24 -10.749 -7.776 10.007 1.00 0.00 N ATOM 369 CA TRP A 24 -9.955 -6.543 10.002 1.00 0.00 C ATOM 370 C TRP A 24 -9.238 -6.256 11.329 1.00 0.00 C ATOM 371 O TRP A 24 -9.693 -6.661 12.403 1.00 0.00 O ATOM 372 CB TRP A 24 -10.856 -5.350 9.668 1.00 0.00 C ATOM 373 CG TRP A 24 -11.621 -5.441 8.390 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.964 -5.438 8.297 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.126 -5.502 7.017 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.342 -5.553 6.974 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.250 -5.549 6.138 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.848 -5.487 6.420 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -12.118 -5.573 4.742 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -9.706 -5.494 5.021 1.00 0.00 C ATOM 381 CH2 TRP A 24 -10.833 -5.539 4.180 1.00 0.00 C ATOM 0 H TRP A 24 -11.722 -7.635 10.277 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.184 -6.688 9.246 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.566 -5.218 10.484 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.238 -4.453 9.635 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.644 -5.358 9.132 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.308 -5.631 6.657 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.968 -5.470 7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.992 -5.617 4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.718 -5.464 4.586 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.710 -5.547 3.107 1.00 0.00 H new ATOM 392 N ALA A 25 -8.170 -5.461 11.250 1.00 0.00 N ATOM 393 CA ALA A 25 -7.455 -4.873 12.378 1.00 0.00 C ATOM 394 C ALA A 25 -6.837 -3.519 11.976 1.00 0.00 C ATOM 395 O ALA A 25 -6.286 -3.381 10.883 1.00 0.00 O ATOM 396 CB ALA A 25 -6.400 -5.875 12.872 1.00 0.00 C ATOM 0 H ALA A 25 -7.762 -5.198 10.353 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.143 -4.669 13.198 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.858 -5.447 13.716 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.892 -6.796 13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.700 -6.094 12.065 1.00 0.00 H new ATOM 402 N LEU A 26 -6.935 -2.521 12.859 1.00 0.00 N ATOM 403 CA LEU A 26 -6.381 -1.178 12.668 1.00 0.00 C ATOM 404 C LEU A 26 -5.081 -1.057 13.463 1.00 0.00 C ATOM 405 O LEU A 26 -5.097 -1.180 14.686 1.00 0.00 O ATOM 406 CB LEU A 26 -7.436 -0.138 13.120 1.00 0.00 C ATOM 407 CG LEU A 26 -7.281 1.290 12.554 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.928 1.948 12.842 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.563 1.299 11.046 1.00 0.00 C ATOM 0 H LEU A 26 -7.416 -2.629 13.752 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.149 -0.993 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.422 -0.510 12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.412 -0.078 14.208 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.019 1.893 13.082 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.910 2.947 12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.780 2.018 13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.131 1.347 12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.450 2.312 10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.859 0.638 10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.581 0.953 10.864 1.00 0.00 H new ATOM 421 N TYR A 27 -3.966 -0.795 12.780 1.00 0.00 N ATOM 422 CA TYR A 27 -2.641 -0.598 13.382 1.00 0.00 C ATOM 423 C TYR A 27 -2.546 0.751 14.127 1.00 0.00 C ATOM 424 O TYR A 27 -2.208 1.780 13.544 1.00 0.00 O ATOM 425 CB TYR A 27 -1.592 -0.761 12.267 1.00 0.00 C ATOM 426 CG TYR A 27 -0.211 -1.231 12.697 1.00 0.00 C ATOM 427 CD1 TYR A 27 -0.019 -2.554 13.145 1.00 0.00 C ATOM 428 CD2 TYR A 27 0.908 -0.396 12.531 1.00 0.00 C ATOM 429 CE1 TYR A 27 1.277 -3.054 13.374 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.210 -0.888 12.739 1.00 0.00 C ATOM 431 CZ TYR A 27 2.398 -2.231 13.129 1.00 0.00 C ATOM 432 OH TYR A 27 3.658 -2.736 13.254 1.00 0.00 O ATOM 0 H TYR A 27 -3.956 -0.711 11.764 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.453 -1.347 14.152 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.980 -1.469 11.534 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.483 0.197 11.758 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.875 -3.190 13.314 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.767 0.635 12.241 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.413 -4.063 13.735 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.063 -0.240 12.601 1.00 0.00 H new ATOM 0 HH TYR A 27 4.313 -2.036 13.048 1.00 0.00 H new ATOM 442 N ILE A 28 -2.893 0.767 15.418 1.00 0.00 N ATOM 443 CA ILE A 28 -2.937 1.994 16.245 1.00 0.00 C ATOM 444 C ILE A 28 -1.563 2.498 16.710 1.00 0.00 C ATOM 445 O ILE A 28 -1.433 3.670 17.066 1.00 0.00 O ATOM 446 CB ILE A 28 -3.867 1.817 17.467 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.479 0.618 18.362 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.332 1.735 17.003 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.925 0.785 19.819 1.00 0.00 C ATOM 0 H ILE A 28 -3.155 -0.075 15.930 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.338 2.759 15.580 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.745 2.697 18.099 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.923 -0.290 17.954 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.398 0.485 18.332 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.982 1.610 17.869 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.599 2.652 16.478 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.454 0.884 16.332 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.623 -0.090 20.395 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.461 1.676 20.242 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.009 0.888 19.858 1.00 0.00 H new ATOM 461 N GLY A 29 -0.550 1.631 16.710 1.00 0.00 N ATOM 462 CA GLY A 29 0.830 1.956 17.069 1.00 0.00 C ATOM 463 C GLY A 29 1.797 0.946 16.473 1.00 0.00 C ATOM 464 O GLY A 29 1.381 0.025 15.775 1.00 0.00 O ATOM 0 H GLY A 29 -0.672 0.652 16.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.077 2.956 16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.934 1.969 18.154 1.00 0.00 H new ATOM 468 N ASP A 30 3.088 1.112 16.757 1.00 0.00 N ATOM 469 CA ASP A 30 4.150 0.262 16.214 1.00 0.00 C ATOM 470 C ASP A 30 4.089 -1.160 16.819 1.00 0.00 C ATOM 471 O ASP A 30 4.739 -1.465 17.825 1.00 0.00 O ATOM 472 CB ASP A 30 5.520 0.927 16.430 1.00 0.00 C ATOM 473 CG ASP A 30 5.668 2.231 15.630 1.00 0.00 C ATOM 474 OD1 ASP A 30 5.895 2.156 14.399 1.00 0.00 O ATOM 475 OD2 ASP A 30 5.577 3.325 16.239 1.00 0.00 O ATOM 0 H ASP A 30 3.431 1.847 17.376 1.00 0.00 H new ATOM 0 HA ASP A 30 4.000 0.151 15.140 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.656 1.137 17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.308 0.233 16.138 1.00 0.00 H new ATOM 480 N GLY A 31 3.271 -2.018 16.201 1.00 0.00 N ATOM 481 CA GLY A 31 3.015 -3.414 16.573 1.00 0.00 C ATOM 482 C GLY A 31 1.672 -3.657 17.263 1.00 0.00 C ATOM 483 O GLY A 31 1.318 -4.812 17.481 1.00 0.00 O ATOM 0 H GLY A 31 2.737 -1.740 15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.063 -4.029 15.675 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.814 -3.752 17.234 1.00 0.00 H new ATOM 487 N TYR A 32 0.917 -2.607 17.596 1.00 0.00 N ATOM 488 CA TYR A 32 -0.340 -2.679 18.355 1.00 0.00 C ATOM 489 C TYR A 32 -1.579 -2.435 17.480 1.00 0.00 C ATOM 490 O TYR A 32 -1.558 -1.579 16.594 1.00 0.00 O ATOM 491 CB TYR A 32 -0.280 -1.692 19.530 1.00 0.00 C ATOM 492 CG TYR A 32 0.583 -2.197 20.673 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.979 -2.014 20.650 1.00 0.00 C ATOM 494 CD2 TYR A 32 -0.013 -2.903 21.739 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.781 -2.531 21.687 1.00 0.00 C ATOM 496 CE2 TYR A 32 0.778 -3.411 22.786 1.00 0.00 C ATOM 497 CZ TYR A 32 2.182 -3.234 22.760 1.00 0.00 C ATOM 498 OH TYR A 32 2.958 -3.746 23.754 1.00 0.00 O ATOM 0 H TYR A 32 1.169 -1.653 17.338 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.445 -3.694 18.738 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.111 -0.737 19.178 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.290 -1.507 19.896 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.437 -1.475 19.834 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.082 -3.054 21.752 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.852 -2.391 21.663 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.314 -3.935 23.608 1.00 0.00 H new ATOM 0 HH TYR A 32 2.390 -4.197 24.413 1.00 0.00 H new ATOM 508 N VAL A 33 -2.670 -3.169 17.740 1.00 0.00 N ATOM 509 CA VAL A 33 -3.886 -3.162 16.905 1.00 0.00 C ATOM 510 C VAL A 33 -5.188 -3.147 17.705 1.00 0.00 C ATOM 511 O VAL A 33 -5.247 -3.649 18.825 1.00 0.00 O ATOM 512 CB VAL A 33 -3.946 -4.366 15.929 1.00 0.00 C ATOM 513 CG1 VAL A 33 -2.923 -4.258 14.793 1.00 0.00 C ATOM 514 CG2 VAL A 33 -3.756 -5.725 16.619 1.00 0.00 C ATOM 0 H VAL A 33 -2.737 -3.792 18.545 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.806 -2.229 16.348 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.955 -4.320 15.519 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.010 -5.127 14.141 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.113 -3.352 14.217 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.917 -4.218 15.212 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.810 -6.521 15.876 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.783 -5.751 17.109 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.540 -5.869 17.362 1.00 0.00 H new ATOM 524 N ILE A 34 -6.240 -2.598 17.087 1.00 0.00 N ATOM 525 CA ILE A 34 -7.644 -2.670 17.547 1.00 0.00 C ATOM 526 C ILE A 34 -8.425 -3.456 16.484 1.00 0.00 C ATOM 527 O ILE A 34 -8.197 -3.272 15.290 1.00 0.00 O ATOM 528 CB ILE A 34 -8.209 -1.252 17.822 1.00 0.00 C ATOM 529 CG1 ILE A 34 -7.381 -0.619 18.969 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.709 -1.310 18.163 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.923 0.670 19.595 1.00 0.00 C ATOM 0 H ILE A 34 -6.140 -2.070 16.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.732 -3.191 18.501 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.123 -0.633 16.929 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.278 -1.361 19.760 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.379 -0.415 18.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.079 -0.302 18.351 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.256 -1.747 17.327 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.856 -1.922 19.053 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.248 1.004 20.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.998 1.443 18.830 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.910 0.482 20.018 1.00 0.00 H new ATOM 543 N HIS A 35 -9.324 -4.352 16.883 1.00 0.00 N ATOM 544 CA HIS A 35 -9.946 -5.320 15.967 1.00 0.00 C ATOM 545 C HIS A 35 -11.291 -5.861 16.477 1.00 0.00 C ATOM 546 O HIS A 35 -11.408 -6.224 17.646 1.00 0.00 O ATOM 547 CB HIS A 35 -8.943 -6.479 15.771 1.00 0.00 C ATOM 548 CG HIS A 35 -8.426 -7.087 17.060 1.00 0.00 C ATOM 549 ND1 HIS A 35 -8.869 -8.240 17.667 1.00 0.00 N ATOM 550 CD2 HIS A 35 -7.460 -6.560 17.877 1.00 0.00 C ATOM 551 CE1 HIS A 35 -8.184 -8.396 18.814 1.00 0.00 C ATOM 552 NE2 HIS A 35 -7.322 -7.381 19.001 1.00 0.00 N ATOM 0 H HIS A 35 -9.645 -4.432 17.848 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.170 -4.816 15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.421 -7.261 15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.096 -6.115 15.190 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -9.590 -8.866 17.310 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.897 -5.658 17.684 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.310 -9.226 19.494 1.00 0.00 H new ATOM 560 N LEU A 36 -12.294 -5.995 15.599 1.00 0.00 N ATOM 561 CA LEU A 36 -13.541 -6.696 15.922 1.00 0.00 C ATOM 562 C LEU A 36 -13.294 -8.213 15.938 1.00 0.00 C ATOM 563 O LEU A 36 -13.035 -8.818 14.895 1.00 0.00 O ATOM 564 CB LEU A 36 -14.631 -6.283 14.912 1.00 0.00 C ATOM 565 CG LEU A 36 -16.040 -6.809 15.257 1.00 0.00 C ATOM 566 CD1 LEU A 36 -16.688 -5.993 16.382 1.00 0.00 C ATOM 567 CD2 LEU A 36 -16.956 -6.747 14.030 1.00 0.00 C ATOM 0 H LEU A 36 -12.263 -5.622 14.650 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.891 -6.419 16.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.665 -5.195 14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.351 -6.646 13.923 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.919 -7.841 15.585 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.679 -6.393 16.597 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.070 -6.053 17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.776 -4.952 16.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.945 -7.122 14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.039 -5.715 13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.537 -7.360 13.232 1.00 0.00 H new ATOM 579 N ALA A 37 -13.408 -8.833 17.113 1.00 0.00 N ATOM 580 CA ALA A 37 -13.417 -10.290 17.258 1.00 0.00 C ATOM 581 C ALA A 37 -14.775 -10.859 16.773 1.00 0.00 C ATOM 582 O ALA A 37 -15.811 -10.220 17.013 1.00 0.00 O ATOM 583 CB ALA A 37 -13.112 -10.637 18.721 1.00 0.00 C ATOM 0 H ALA A 37 -13.497 -8.334 17.998 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.648 -10.750 16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.115 -11.720 18.846 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.132 -10.243 18.992 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.872 -10.195 19.366 1.00 0.00 H new ATOM 589 N PRO A 38 -14.788 -12.024 16.091 1.00 0.00 N ATOM 590 CA PRO A 38 -15.967 -12.545 15.400 1.00 0.00 C ATOM 591 C PRO A 38 -17.082 -13.003 16.364 1.00 0.00 C ATOM 592 O PRO A 38 -16.797 -13.341 17.514 1.00 0.00 O ATOM 593 CB PRO A 38 -15.454 -13.694 14.520 1.00 0.00 C ATOM 594 CG PRO A 38 -14.222 -14.190 15.274 1.00 0.00 C ATOM 595 CD PRO A 38 -13.645 -12.900 15.852 1.00 0.00 C ATOM 0 HA PRO A 38 -16.441 -11.764 14.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.201 -14.480 14.409 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.201 -13.351 13.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.485 -14.903 16.056 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.515 -14.689 14.612 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.102 -13.095 16.777 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.940 -12.442 15.158 1.00 0.00 H new ATOM 603 N PRO A 39 -18.349 -13.052 15.893 1.00 0.00 N ATOM 604 CA PRO A 39 -19.512 -13.418 16.701 1.00 0.00 C ATOM 605 C PRO A 39 -19.644 -14.924 16.960 1.00 0.00 C ATOM 606 O PRO A 39 -20.440 -15.316 17.810 1.00 0.00 O ATOM 607 CB PRO A 39 -20.721 -12.884 15.925 1.00 0.00 C ATOM 608 CG PRO A 39 -20.269 -12.950 14.467 1.00 0.00 C ATOM 609 CD PRO A 39 -18.767 -12.677 14.547 1.00 0.00 C ATOM 0 HA PRO A 39 -19.423 -12.988 17.699 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -21.609 -13.492 16.098 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.970 -11.865 16.222 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.477 -13.925 14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.780 -12.207 13.854 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.227 -13.256 13.798 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.553 -11.626 14.353 1.00 0.00 H new ATOM 842 N SER A 57 -21.630 -12.912 20.182 1.00 0.00 N ATOM 843 CA SER A 57 -21.767 -11.611 19.521 1.00 0.00 C ATOM 844 C SER A 57 -20.364 -11.049 19.216 1.00 0.00 C ATOM 845 O SER A 57 -19.385 -11.473 19.834 1.00 0.00 O ATOM 846 CB SER A 57 -22.591 -10.630 20.382 1.00 0.00 C ATOM 847 OG SER A 57 -22.082 -10.475 21.700 1.00 0.00 O ATOM 0 HA SER A 57 -22.309 -11.741 18.584 1.00 0.00 H new ATOM 0 HB2 SER A 57 -22.613 -9.657 19.892 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.621 -10.982 20.437 1.00 0.00 H new ATOM 0 HG SER A 57 -21.596 -11.285 21.961 1.00 0.00 H new ATOM 853 N ALA A 58 -20.239 -10.153 18.231 1.00 0.00 N ATOM 854 CA ALA A 58 -18.945 -9.611 17.808 1.00 0.00 C ATOM 855 C ALA A 58 -18.553 -8.441 18.719 1.00 0.00 C ATOM 856 O ALA A 58 -19.395 -7.592 18.991 1.00 0.00 O ATOM 857 CB ALA A 58 -19.066 -9.177 16.339 1.00 0.00 C ATOM 0 H ALA A 58 -21.032 -9.784 17.706 1.00 0.00 H new ATOM 0 HA ALA A 58 -18.159 -10.362 17.890 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -18.114 -8.769 16.000 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -19.331 -10.038 15.726 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -19.840 -8.415 16.247 1.00 0.00 H new ATOM 863 N GLU A 59 -17.302 -8.360 19.170 1.00 0.00 N ATOM 864 CA GLU A 59 -16.855 -7.345 20.138 1.00 0.00 C ATOM 865 C GLU A 59 -15.475 -6.810 19.748 1.00 0.00 C ATOM 866 O GLU A 59 -14.612 -7.583 19.340 1.00 0.00 O ATOM 867 CB GLU A 59 -16.828 -7.943 21.556 1.00 0.00 C ATOM 868 CG GLU A 59 -16.508 -6.894 22.633 1.00 0.00 C ATOM 869 CD GLU A 59 -16.640 -7.477 24.047 1.00 0.00 C ATOM 870 OE1 GLU A 59 -17.776 -7.543 24.575 1.00 0.00 O ATOM 871 OE2 GLU A 59 -15.601 -7.847 24.644 1.00 0.00 O ATOM 0 H GLU A 59 -16.562 -8.997 18.876 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.558 -6.512 20.128 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.794 -8.398 21.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.084 -8.739 21.597 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.495 -6.519 22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.182 -6.044 22.525 1.00 0.00 H new ATOM 878 N VAL A 60 -15.252 -5.502 19.865 1.00 0.00 N ATOM 879 CA VAL A 60 -13.966 -4.871 19.527 1.00 0.00 C ATOM 880 C VAL A 60 -12.971 -5.051 20.680 1.00 0.00 C ATOM 881 O VAL A 60 -13.192 -4.561 21.786 1.00 0.00 O ATOM 882 CB VAL A 60 -14.116 -3.385 19.144 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.776 -2.811 18.648 1.00 0.00 C ATOM 884 CG2 VAL A 60 -15.153 -3.167 18.027 1.00 0.00 C ATOM 0 H VAL A 60 -15.957 -4.844 20.197 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.577 -5.375 18.642 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.449 -2.876 20.049 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.905 -1.762 18.383 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.029 -2.897 19.437 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.444 -3.368 17.772 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.220 -2.104 17.795 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.848 -3.714 17.135 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.126 -3.528 18.359 1.00 0.00 H new ATOM 894 N LYS A 61 -11.870 -5.745 20.395 1.00 0.00 N ATOM 895 CA LYS A 61 -10.721 -6.000 21.273 1.00 0.00 C ATOM 896 C LYS A 61 -9.471 -5.195 20.840 1.00 0.00 C ATOM 897 O LYS A 61 -9.461 -4.526 19.802 1.00 0.00 O ATOM 898 CB LYS A 61 -10.434 -7.521 21.255 1.00 0.00 C ATOM 899 CG LYS A 61 -11.205 -8.360 22.286 1.00 0.00 C ATOM 900 CD LYS A 61 -12.714 -8.487 22.024 1.00 0.00 C ATOM 901 CE LYS A 61 -13.313 -9.673 22.801 1.00 0.00 C ATOM 902 NZ LYS A 61 -13.361 -9.443 24.271 1.00 0.00 N ATOM 0 H LYS A 61 -11.745 -6.176 19.479 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.960 -5.671 22.284 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.663 -7.903 20.260 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.367 -7.672 21.417 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.771 -9.360 22.316 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.059 -7.920 23.272 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.216 -7.565 22.317 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.891 -8.621 20.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.322 -9.866 22.436 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.724 -10.567 22.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.426 -10.357 24.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.498 -8.948 24.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.192 -8.864 24.505 1.00 0.00 H new ATOM 916 N ARG A 62 -8.398 -5.279 21.641 1.00 0.00 N ATOM 917 CA ARG A 62 -7.056 -4.756 21.330 1.00 0.00 C ATOM 918 C ARG A 62 -5.937 -5.633 21.918 1.00 0.00 C ATOM 919 O ARG A 62 -6.129 -6.240 22.972 1.00 0.00 O ATOM 920 CB ARG A 62 -6.925 -3.287 21.787 1.00 0.00 C ATOM 921 CG ARG A 62 -6.903 -3.074 23.312 1.00 0.00 C ATOM 922 CD ARG A 62 -6.735 -1.588 23.661 1.00 0.00 C ATOM 923 NE ARG A 62 -6.840 -1.370 25.116 1.00 0.00 N ATOM 924 CZ ARG A 62 -6.706 -0.215 25.761 1.00 0.00 C ATOM 925 NH1 ARG A 62 -6.444 0.912 25.132 1.00 0.00 N ATOM 926 NH2 ARG A 62 -6.834 -0.183 27.070 1.00 0.00 N ATOM 0 H ARG A 62 -8.441 -5.729 22.556 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.936 -4.788 20.247 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.009 -2.872 21.365 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.755 -2.718 21.369 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.828 -3.451 23.748 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.087 -3.648 23.751 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.767 -1.235 23.306 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.496 -1.002 23.146 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.036 -2.192 25.688 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.337 0.917 24.118 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.348 1.780 25.659 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.035 -1.041 27.584 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.732 0.700 27.571 1.00 0.00 H new ATOM 940 N GLU A 63 -4.766 -5.616 21.270 1.00 0.00 N ATOM 941 CA GLU A 63 -3.484 -6.246 21.654 1.00 0.00 C ATOM 942 C GLU A 63 -2.451 -6.044 20.528 1.00 0.00 C ATOM 943 O GLU A 63 -2.652 -5.195 19.651 1.00 0.00 O ATOM 944 CB GLU A 63 -3.628 -7.721 22.110 1.00 0.00 C ATOM 945 CG GLU A 63 -4.200 -8.692 21.066 1.00 0.00 C ATOM 946 CD GLU A 63 -4.566 -10.053 21.692 1.00 0.00 C ATOM 947 OE1 GLU A 63 -3.868 -10.519 22.626 1.00 0.00 O ATOM 948 OE2 GLU A 63 -5.563 -10.672 21.252 1.00 0.00 O ATOM 0 H GLU A 63 -4.677 -5.118 20.384 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.113 -5.741 22.546 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.647 -8.084 22.417 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.268 -7.748 22.992 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.086 -8.253 20.607 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.470 -8.842 20.270 1.00 0.00 H new ATOM 955 N ARG A 64 -1.340 -6.787 20.531 1.00 0.00 N ATOM 956 CA ARG A 64 -0.361 -6.752 19.438 1.00 0.00 C ATOM 957 C ARG A 64 -0.817 -7.536 18.205 1.00 0.00 C ATOM 958 O ARG A 64 -1.481 -8.572 18.304 1.00 0.00 O ATOM 959 CB ARG A 64 1.010 -7.274 19.883 1.00 0.00 C ATOM 960 CG ARG A 64 1.751 -6.357 20.864 1.00 0.00 C ATOM 961 CD ARG A 64 3.179 -6.894 21.009 1.00 0.00 C ATOM 962 NE ARG A 64 4.012 -6.064 21.891 1.00 0.00 N ATOM 963 CZ ARG A 64 5.325 -6.201 22.046 1.00 0.00 C ATOM 964 NH1 ARG A 64 6.012 -7.123 21.398 1.00 0.00 N ATOM 965 NH2 ARG A 64 5.968 -5.397 22.866 1.00 0.00 N ATOM 0 H ARG A 64 -1.094 -7.427 21.286 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.276 -5.701 19.163 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.880 -8.252 20.347 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.633 -7.420 19.001 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.763 -5.331 20.495 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.247 -6.343 21.830 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.142 -7.910 21.402 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.643 -6.949 20.024 1.00 0.00 H new ATOM 0 HE ARG A 64 3.548 -5.328 22.424 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.536 -7.757 20.756 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.019 -7.202 21.539 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.459 -4.676 23.377 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.976 -5.495 22.991 1.00 0.00 H new ATOM 979 N LEU A 65 -0.352 -7.105 17.027 1.00 0.00 N ATOM 980 CA LEU A 65 -0.567 -7.799 15.752 1.00 0.00 C ATOM 981 C LEU A 65 -0.090 -9.253 15.826 1.00 0.00 C ATOM 982 O LEU A 65 -0.854 -10.141 15.471 1.00 0.00 O ATOM 983 CB LEU A 65 0.127 -7.001 14.629 1.00 0.00 C ATOM 984 CG LEU A 65 -0.022 -7.617 13.220 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.484 -7.685 12.758 1.00 0.00 C ATOM 986 CD2 LEU A 65 0.787 -6.783 12.220 1.00 0.00 C ATOM 0 H LEU A 65 0.194 -6.249 16.931 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.633 -7.847 15.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.279 -5.990 14.615 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.188 -6.915 14.864 1.00 0.00 H new ATOM 0 HG LEU A 65 0.352 -8.640 13.267 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.531 -8.126 11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.057 -8.298 13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.904 -6.679 12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.686 -7.212 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.413 -5.759 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.837 -6.784 12.511 1.00 0.00 H new ATOM 998 N GLU A 66 1.112 -9.498 16.363 1.00 0.00 N ATOM 999 CA GLU A 66 1.683 -10.849 16.520 1.00 0.00 C ATOM 1000 C GLU A 66 0.816 -11.799 17.381 1.00 0.00 C ATOM 1001 O GLU A 66 0.801 -13.006 17.134 1.00 0.00 O ATOM 1002 CB GLU A 66 3.128 -10.764 17.059 1.00 0.00 C ATOM 1003 CG GLU A 66 3.238 -10.315 18.527 1.00 0.00 C ATOM 1004 CD GLU A 66 4.699 -10.124 18.977 1.00 0.00 C ATOM 1005 OE1 GLU A 66 5.516 -11.065 18.825 1.00 0.00 O ATOM 1006 OE2 GLU A 66 5.031 -9.039 19.514 1.00 0.00 O ATOM 0 H GLU A 66 1.725 -8.758 16.706 1.00 0.00 H new ATOM 0 HA GLU A 66 1.698 -11.294 15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.599 -11.742 16.955 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.694 -10.070 16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.695 -9.379 18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.758 -11.055 19.167 1.00 0.00 H new ATOM 1013 N ASP A 67 0.053 -11.274 18.350 1.00 0.00 N ATOM 1014 CA ASP A 67 -0.916 -12.062 19.127 1.00 0.00 C ATOM 1015 C ASP A 67 -2.232 -12.261 18.351 1.00 0.00 C ATOM 1016 O ASP A 67 -2.787 -13.360 18.367 1.00 0.00 O ATOM 1017 CB ASP A 67 -1.187 -11.390 20.480 1.00 0.00 C ATOM 1018 CG ASP A 67 0.008 -11.511 21.438 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.291 -12.640 21.907 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.642 -10.471 21.738 1.00 0.00 O ATOM 0 H ASP A 67 0.090 -10.290 18.618 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.482 -13.047 19.302 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.418 -10.337 20.321 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.066 -11.843 20.939 1.00 0.00 H new ATOM 1025 N VAL A 68 -2.707 -11.234 17.630 1.00 0.00 N ATOM 1026 CA VAL A 68 -3.887 -11.337 16.749 1.00 0.00 C ATOM 1027 C VAL A 68 -3.670 -12.349 15.615 1.00 0.00 C ATOM 1028 O VAL A 68 -4.541 -13.187 15.383 1.00 0.00 O ATOM 1029 CB VAL A 68 -4.323 -9.963 16.180 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -5.419 -10.082 15.106 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -4.853 -9.072 17.310 1.00 0.00 C ATOM 0 H VAL A 68 -2.285 -10.306 17.639 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.700 -11.703 17.376 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.438 -9.527 15.717 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.684 -9.088 14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.051 -10.684 14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.300 -10.558 15.536 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.157 -8.108 16.901 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.710 -9.553 17.781 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.069 -8.920 18.052 1.00 0.00 H new ATOM 1041 N VAL A 69 -2.526 -12.307 14.923 1.00 0.00 N ATOM 1042 CA VAL A 69 -2.211 -13.209 13.813 1.00 0.00 C ATOM 1043 C VAL A 69 -1.942 -14.644 14.288 1.00 0.00 C ATOM 1044 O VAL A 69 -2.419 -15.580 13.654 1.00 0.00 O ATOM 1045 CB VAL A 69 -1.020 -12.684 12.977 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -1.351 -11.339 12.318 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.306 -12.628 13.740 1.00 0.00 C ATOM 0 H VAL A 69 -1.784 -11.636 15.122 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.095 -13.234 13.175 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.866 -13.424 12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.494 -10.997 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.211 -11.459 11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.584 -10.604 13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.088 -12.249 13.082 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.203 -11.966 14.600 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.572 -13.628 14.082 1.00 0.00 H new ATOM 1057 N GLY A 70 -1.207 -14.844 15.392 1.00 0.00 N ATOM 1058 CA GLY A 70 -0.768 -16.179 15.819 1.00 0.00 C ATOM 1059 C GLY A 70 0.133 -16.819 14.757 1.00 0.00 C ATOM 1060 O GLY A 70 1.204 -16.291 14.453 1.00 0.00 O ATOM 0 H GLY A 70 -0.903 -14.091 16.009 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.229 -16.105 16.764 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.636 -16.813 15.996 1.00 0.00 H new ATOM 1064 N GLY A 71 -0.322 -17.936 14.173 1.00 0.00 N ATOM 1065 CA GLY A 71 0.318 -18.595 13.022 1.00 0.00 C ATOM 1066 C GLY A 71 -0.241 -18.183 11.648 1.00 0.00 C ATOM 1067 O GLY A 71 0.259 -18.665 10.629 1.00 0.00 O ATOM 0 H GLY A 71 -1.162 -18.418 14.493 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.386 -18.377 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.211 -19.674 13.133 1.00 0.00 H new ATOM 1071 N CYS A 72 -1.273 -17.332 11.601 1.00 0.00 N ATOM 1072 CA CYS A 72 -2.006 -16.970 10.379 1.00 0.00 C ATOM 1073 C CYS A 72 -1.282 -15.911 9.524 1.00 0.00 C ATOM 1074 O CYS A 72 -0.487 -15.107 10.019 1.00 0.00 O ATOM 1075 CB CYS A 72 -3.415 -16.468 10.756 1.00 0.00 C ATOM 1076 SG CYS A 72 -4.239 -17.719 11.800 1.00 0.00 S ATOM 0 H CYS A 72 -1.632 -16.863 12.433 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.070 -17.870 9.767 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.346 -15.520 11.290 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.002 -16.285 9.856 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.720 -17.148 12.864 1.00 0.00 H new ATOM 1082 N CYS A 73 -1.636 -15.884 8.237 1.00 0.00 N ATOM 1083 CA CYS A 73 -1.243 -14.835 7.294 1.00 0.00 C ATOM 1084 C CYS A 73 -2.029 -13.529 7.527 1.00 0.00 C ATOM 1085 O CYS A 73 -3.073 -13.508 8.185 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.451 -15.363 5.862 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.400 -16.821 5.574 1.00 0.00 S ATOM 0 H CYS A 73 -2.217 -16.607 7.812 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.192 -14.591 7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.498 -15.625 5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.210 -14.583 5.140 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.586 -17.258 4.364 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.560 -12.450 6.905 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.268 -11.170 6.816 1.00 0.00 C ATOM 1095 C TYR A 74 -1.820 -10.355 5.591 1.00 0.00 C ATOM 1096 O TYR A 74 -0.754 -10.617 5.030 1.00 0.00 O ATOM 1097 CB TYR A 74 -2.104 -10.370 8.123 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.736 -9.755 8.352 1.00 0.00 C ATOM 1099 CD1 TYR A 74 -0.456 -8.467 7.851 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.247 -10.446 9.084 1.00 0.00 C ATOM 1101 CE1 TYR A 74 0.788 -7.859 8.101 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.497 -9.848 9.338 1.00 0.00 C ATOM 1103 CZ TYR A 74 1.765 -8.546 8.853 1.00 0.00 C ATOM 1104 OH TYR A 74 2.965 -7.959 9.093 1.00 0.00 O ATOM 0 H TYR A 74 -0.654 -12.439 6.436 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.329 -11.381 6.681 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.847 -9.572 8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.331 -11.029 8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.202 -7.943 7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.042 -11.440 9.453 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.995 -6.870 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.248 -10.382 9.901 1.00 0.00 H new ATOM 0 HH TYR A 74 3.524 -8.563 9.625 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.611 -9.351 5.203 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.312 -8.354 4.153 1.00 0.00 C ATOM 1116 C ARG A 75 -2.799 -6.964 4.595 1.00 0.00 C ATOM 1117 O ARG A 75 -3.527 -6.865 5.577 1.00 0.00 O ATOM 1118 CB ARG A 75 -3.008 -8.767 2.833 1.00 0.00 C ATOM 1119 CG ARG A 75 -2.522 -10.082 2.197 1.00 0.00 C ATOM 1120 CD ARG A 75 -1.043 -10.040 1.794 1.00 0.00 C ATOM 1121 NE ARG A 75 -0.633 -11.289 1.133 1.00 0.00 N ATOM 1122 CZ ARG A 75 0.612 -11.732 0.989 1.00 0.00 C ATOM 1123 NH1 ARG A 75 1.648 -11.075 1.467 1.00 0.00 N ATOM 1124 NH2 ARG A 75 0.834 -12.858 0.346 1.00 0.00 N ATOM 0 H ARG A 75 -3.525 -9.197 5.630 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.235 -8.313 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.078 -8.851 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.874 -7.964 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.678 -10.899 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.127 -10.299 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.870 -9.198 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.427 -9.875 2.678 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.376 -11.872 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.509 -10.197 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.590 -11.445 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.052 -13.388 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.788 -13.201 0.233 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.440 -5.894 3.884 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.029 -4.549 4.082 1.00 0.00 C ATOM 1140 C VAL A 76 -3.890 -4.211 2.864 1.00 0.00 C ATOM 1141 O VAL A 76 -3.421 -4.315 1.733 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.970 -3.453 4.322 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.642 -2.077 4.455 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.182 -3.756 5.609 1.00 0.00 C ATOM 0 H VAL A 76 -1.732 -5.925 3.151 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.637 -4.577 4.986 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.291 -3.440 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.881 -1.315 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.187 -1.848 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.335 -2.090 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.437 -2.977 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.867 -3.785 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.684 -4.721 5.512 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.146 -3.827 3.105 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.135 -3.592 2.048 1.00 0.00 C ATOM 1156 C ASN A 77 -6.380 -2.094 1.773 1.00 0.00 C ATOM 1157 O ASN A 77 -6.247 -1.639 0.637 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.421 -4.355 2.418 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.341 -4.590 1.219 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.595 -3.698 0.420 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.859 -5.791 1.049 1.00 0.00 N ATOM 0 H ASN A 77 -5.509 -3.669 4.045 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.749 -3.973 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.153 -5.316 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.963 -3.795 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.470 -5.975 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.649 -6.536 1.713 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.730 -1.334 2.821 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.178 0.074 2.745 1.00 0.00 C ATOM 1170 C ASN A 78 -8.252 0.278 1.645 1.00 0.00 C ATOM 1171 O ASN A 78 -8.174 1.190 0.825 1.00 0.00 O ATOM 1172 CB ASN A 78 -5.965 1.033 2.686 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.323 1.237 4.061 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -4.760 0.325 4.651 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.415 2.420 4.642 1.00 0.00 N ATOM 0 H ASN A 78 -6.710 -1.689 3.777 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.699 0.339 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.222 0.634 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.285 1.997 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.019 2.564 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.882 3.189 4.162 1.00 0.00 H new ATOM 1182 N SER A 79 -9.269 -0.593 1.622 1.00 0.00 N ATOM 1183 CA SER A 79 -10.360 -0.617 0.627 1.00 0.00 C ATOM 1184 C SER A 79 -11.099 0.722 0.487 1.00 0.00 C ATOM 1185 O SER A 79 -11.095 1.326 -0.585 1.00 0.00 O ATOM 1186 CB SER A 79 -11.355 -1.738 0.990 1.00 0.00 C ATOM 1187 OG SER A 79 -11.709 -1.681 2.368 1.00 0.00 O ATOM 0 H SER A 79 -9.362 -1.330 2.321 1.00 0.00 H new ATOM 0 HA SER A 79 -9.900 -0.808 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.251 -1.646 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.913 -2.708 0.764 1.00 0.00 H new ATOM 0 HG SER A 79 -12.342 -2.401 2.573 1.00 0.00 H new ATOM 1193 N LEU A 80 -11.710 1.211 1.572 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.502 2.453 1.563 1.00 0.00 C ATOM 1195 C LEU A 80 -11.651 3.696 1.276 1.00 0.00 C ATOM 1196 O LEU A 80 -12.131 4.648 0.665 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.266 2.596 2.891 1.00 0.00 C ATOM 1198 CG LEU A 80 -14.368 1.536 3.100 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -14.982 1.723 4.494 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.465 1.627 2.027 1.00 0.00 C ATOM 0 H LEU A 80 -11.671 0.758 2.485 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.218 2.381 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.556 2.534 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.717 3.587 2.933 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.913 0.549 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.762 0.978 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.208 1.603 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.413 2.721 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.220 0.863 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.929 2.612 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.025 1.470 1.042 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.375 3.668 1.656 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.407 4.687 1.250 1.00 0.00 C ATOM 1214 C ASP A 81 -9.185 4.639 -0.274 1.00 0.00 C ATOM 1215 O ASP A 81 -9.345 5.643 -0.967 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.086 4.458 1.992 1.00 0.00 C ATOM 1217 CG ASP A 81 -8.057 4.910 3.457 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -9.118 5.239 4.042 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -6.948 4.845 4.036 1.00 0.00 O ATOM 0 H ASP A 81 -9.983 2.940 2.253 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.794 5.673 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.850 3.395 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.294 4.980 1.455 1.00 0.00 H new ATOM 1224 N HIS A 82 -8.887 3.458 -0.825 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.691 3.262 -2.265 1.00 0.00 C ATOM 1226 C HIS A 82 -9.947 3.614 -3.101 1.00 0.00 C ATOM 1227 O HIS A 82 -9.815 4.032 -4.257 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.240 1.809 -2.486 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.847 1.498 -3.908 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -6.622 1.738 -4.490 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -8.630 0.895 -4.860 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -6.666 1.295 -5.759 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -7.875 0.770 -6.035 1.00 0.00 N ATOM 0 H HIS A 82 -8.774 2.604 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.923 3.951 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.394 1.599 -1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.047 1.140 -2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.652 0.572 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.846 1.352 -6.459 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.180 0.364 -6.920 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.151 3.509 -2.523 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.412 3.873 -3.178 1.00 0.00 C ATOM 1243 C GLU A 83 -12.576 5.387 -3.432 1.00 0.00 C ATOM 1244 O GLU A 83 -13.174 5.761 -4.447 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.616 3.339 -2.389 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.853 1.833 -2.547 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.347 1.475 -3.957 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -15.560 1.630 -4.234 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -13.533 1.013 -4.793 1.00 0.00 O ATOM 0 H GLU A 83 -11.277 3.163 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.374 3.399 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.472 3.564 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.511 3.872 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.927 1.296 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.585 1.502 -1.811 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.057 6.268 -2.560 1.00 0.00 N ATOM 1257 CA TYR A 84 -12.319 7.726 -2.645 1.00 0.00 C ATOM 1258 C TYR A 84 -11.327 8.693 -1.948 1.00 0.00 C ATOM 1259 O TYR A 84 -11.430 9.907 -2.144 1.00 0.00 O ATOM 1260 CB TYR A 84 -13.747 8.073 -2.126 1.00 0.00 C ATOM 1261 CG TYR A 84 -14.683 6.957 -1.683 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -14.546 6.402 -0.396 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.735 6.530 -2.517 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.426 5.400 0.050 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.627 5.533 -2.075 1.00 0.00 C ATOM 1266 CZ TYR A 84 -16.474 4.961 -0.792 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.334 3.991 -0.373 1.00 0.00 O ATOM 0 H TYR A 84 -11.451 6.001 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.192 7.900 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -13.630 8.753 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.254 8.628 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.757 6.749 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -15.858 6.968 -3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.302 4.967 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.430 5.205 -2.719 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.993 3.812 -1.076 1.00 0.00 H new ATOM 1277 N GLN A 85 -10.463 8.219 -1.051 1.00 0.00 N ATOM 1278 CA GLN A 85 -10.262 8.886 0.245 1.00 0.00 C ATOM 1279 C GLN A 85 -8.812 8.781 0.783 1.00 0.00 C ATOM 1280 O GLN A 85 -8.291 7.671 0.892 1.00 0.00 O ATOM 1281 CB GLN A 85 -11.278 8.209 1.195 1.00 0.00 C ATOM 1282 CG GLN A 85 -11.004 8.295 2.704 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.041 7.473 3.467 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.162 7.903 3.690 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.739 6.262 3.882 1.00 0.00 N ATOM 0 H GLN A 85 -9.894 7.384 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.421 9.961 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.258 8.646 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.341 7.155 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.002 7.926 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.039 9.334 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.809 5.880 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.435 5.705 4.378 1.00 0.00 H new ATOM 1294 N PRO A 86 -8.172 9.895 1.209 1.00 0.00 N ATOM 1295 CA PRO A 86 -6.898 9.850 1.930 1.00 0.00 C ATOM 1296 C PRO A 86 -7.091 9.586 3.436 1.00 0.00 C ATOM 1297 O PRO A 86 -6.403 8.732 3.992 1.00 0.00 O ATOM 1298 CB PRO A 86 -6.233 11.202 1.670 1.00 0.00 C ATOM 1299 CG PRO A 86 -7.404 12.161 1.440 1.00 0.00 C ATOM 1300 CD PRO A 86 -8.506 11.274 0.854 1.00 0.00 C ATOM 0 HA PRO A 86 -6.277 9.025 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.623 11.515 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.575 11.162 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.723 12.630 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.133 12.964 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.480 11.552 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.562 11.392 -0.228 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.039 10.306 4.067 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.466 10.263 5.480 1.00 0.00 C ATOM 1310 C ARG A 87 -7.364 10.672 6.502 1.00 0.00 C ATOM 1311 O ARG A 87 -6.275 10.092 6.492 1.00 0.00 O ATOM 1312 CB ARG A 87 -9.075 8.878 5.794 1.00 0.00 C ATOM 1313 CG ARG A 87 -10.552 8.918 6.246 1.00 0.00 C ATOM 1314 CD ARG A 87 -10.830 9.408 7.682 1.00 0.00 C ATOM 1315 NE ARG A 87 -11.602 10.669 7.722 1.00 0.00 N ATOM 1316 CZ ARG A 87 -12.064 11.284 8.809 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -11.988 10.741 10.005 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -12.609 12.475 8.713 1.00 0.00 N ATOM 0 H ARG A 87 -8.578 11.000 3.550 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.230 11.030 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.996 8.250 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.482 8.402 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.100 9.560 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.965 7.914 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.377 8.636 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.882 9.552 8.201 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.801 11.113 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.565 9.820 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.352 11.241 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.679 12.932 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.962 12.943 9.548 1.00 0.00 H new ATOM 1332 N PRO A 88 -7.634 11.606 7.443 1.00 0.00 N ATOM 1333 CA PRO A 88 -6.738 11.896 8.576 1.00 0.00 C ATOM 1334 C PRO A 88 -6.691 10.698 9.536 1.00 0.00 C ATOM 1335 O PRO A 88 -7.567 10.530 10.385 1.00 0.00 O ATOM 1336 CB PRO A 88 -7.298 13.169 9.229 1.00 0.00 C ATOM 1337 CG PRO A 88 -8.782 13.119 8.880 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.753 12.551 7.463 1.00 0.00 C ATOM 0 HA PRO A 88 -5.705 12.059 8.268 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.138 13.172 10.307 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.822 14.066 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.341 12.481 9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.243 14.106 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.692 12.053 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.612 13.342 6.726 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.664 9.851 9.414 1.00 0.00 N ATOM 1347 CA VAL A 89 -5.620 8.547 10.109 1.00 0.00 C ATOM 1348 C VAL A 89 -5.416 8.641 11.626 1.00 0.00 C ATOM 1349 O VAL A 89 -5.754 7.702 12.334 1.00 0.00 O ATOM 1350 CB VAL A 89 -4.649 7.558 9.412 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -3.288 7.376 10.116 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -5.358 6.211 9.191 1.00 0.00 C ATOM 0 H VAL A 89 -4.844 10.041 8.838 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.621 8.127 10.013 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.391 8.007 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.680 6.667 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.773 8.335 10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.448 6.997 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.675 5.517 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.666 5.800 10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.236 6.361 8.562 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.981 9.794 12.147 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.961 10.060 13.598 1.00 0.00 C ATOM 1364 C GLU A 90 -6.387 10.067 14.172 1.00 0.00 C ATOM 1365 O GLU A 90 -6.628 9.576 15.275 1.00 0.00 O ATOM 1366 CB GLU A 90 -4.280 11.405 13.904 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.860 11.499 13.337 1.00 0.00 C ATOM 1368 CD GLU A 90 -2.138 12.749 13.858 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -2.296 13.838 13.255 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -1.403 12.654 14.870 1.00 0.00 O ATOM 0 H GLU A 90 -4.634 10.568 11.581 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.390 9.260 14.069 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.884 12.214 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.245 11.551 14.984 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.296 10.608 13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.901 11.526 12.248 1.00 0.00 H new ATOM 1377 N VAL A 91 -7.360 10.549 13.390 1.00 0.00 N ATOM 1378 CA VAL A 91 -8.781 10.572 13.784 1.00 0.00 C ATOM 1379 C VAL A 91 -9.383 9.162 13.697 1.00 0.00 C ATOM 1380 O VAL A 91 -10.188 8.793 14.541 1.00 0.00 O ATOM 1381 CB VAL A 91 -9.585 11.601 12.951 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -11.036 11.737 13.440 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.914 12.990 12.981 1.00 0.00 C ATOM 0 H VAL A 91 -7.188 10.936 12.462 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.844 10.897 14.823 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.597 11.222 11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.560 12.469 12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.538 10.773 13.362 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.040 12.066 14.479 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.501 13.691 12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.857 13.345 14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.909 12.917 12.566 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.925 8.328 12.751 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.274 6.888 12.690 1.00 0.00 C ATOM 1395 C ILE A 92 -8.727 6.121 13.903 1.00 0.00 C ATOM 1396 O ILE A 92 -9.456 5.350 14.516 1.00 0.00 O ATOM 1397 CB ILE A 92 -8.794 6.301 11.340 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.718 6.827 10.221 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.774 4.761 11.323 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.094 6.727 8.826 1.00 0.00 C ATOM 0 H ILE A 92 -8.300 8.627 12.002 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.357 6.777 12.739 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.764 6.623 11.184 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.652 6.265 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.970 7.868 10.426 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.429 4.412 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.100 4.397 12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.779 4.382 11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.795 7.113 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.175 7.312 8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.868 5.684 8.603 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.473 6.362 14.291 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.862 5.771 15.503 1.00 0.00 C ATOM 1414 C ILE A 93 -7.579 6.270 16.769 1.00 0.00 C ATOM 1415 O ILE A 93 -7.792 5.505 17.704 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.337 6.060 15.491 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.669 5.230 14.364 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.681 5.753 16.851 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -3.203 5.583 14.080 1.00 0.00 C ATOM 0 H ILE A 93 -6.842 6.975 13.776 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.985 4.688 15.507 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.191 7.124 15.302 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.728 4.174 14.627 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.243 5.362 13.447 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.614 5.969 16.797 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.138 6.371 17.623 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.826 4.701 17.096 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.825 4.950 13.277 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.132 6.629 13.781 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.609 5.422 14.980 1.00 0.00 H new ATOM 1431 N SER A 94 -8.013 7.527 16.787 1.00 0.00 N ATOM 1432 CA SER A 94 -8.827 8.092 17.874 1.00 0.00 C ATOM 1433 C SER A 94 -10.209 7.415 17.960 1.00 0.00 C ATOM 1434 O SER A 94 -10.639 7.002 19.038 1.00 0.00 O ATOM 1435 CB SER A 94 -8.973 9.615 17.710 1.00 0.00 C ATOM 1436 OG SER A 94 -7.706 10.260 17.659 1.00 0.00 O ATOM 0 H SER A 94 -7.811 8.194 16.042 1.00 0.00 H new ATOM 0 HA SER A 94 -8.307 7.895 18.811 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.529 9.832 16.798 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.553 10.017 18.540 1.00 0.00 H new ATOM 0 HG SER A 94 -7.271 10.059 16.804 1.00 0.00 H new ATOM 1442 N SER A 95 -10.877 7.221 16.820 1.00 0.00 N ATOM 1443 CA SER A 95 -12.114 6.446 16.703 1.00 0.00 C ATOM 1444 C SER A 95 -11.934 4.996 17.166 1.00 0.00 C ATOM 1445 O SER A 95 -12.796 4.475 17.866 1.00 0.00 O ATOM 1446 CB SER A 95 -12.608 6.448 15.247 1.00 0.00 C ATOM 1447 OG SER A 95 -13.076 7.726 14.844 1.00 0.00 O ATOM 0 H SER A 95 -10.564 7.609 15.930 1.00 0.00 H new ATOM 0 HA SER A 95 -12.849 6.923 17.351 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.797 6.135 14.589 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.409 5.717 15.135 1.00 0.00 H new ATOM 0 HG SER A 95 -12.312 8.319 14.686 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.814 4.338 16.840 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.521 2.976 17.286 1.00 0.00 C ATOM 1455 C ALA A 96 -10.416 2.895 18.817 1.00 0.00 C ATOM 1456 O ALA A 96 -11.048 2.041 19.444 1.00 0.00 O ATOM 1457 CB ALA A 96 -9.256 2.500 16.555 1.00 0.00 C ATOM 0 H ALA A 96 -10.082 4.742 16.255 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.339 2.303 17.031 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.014 1.485 16.870 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.430 2.515 15.479 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.425 3.162 16.797 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.708 3.843 19.440 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.630 3.970 20.904 1.00 0.00 C ATOM 1465 C LYS A 97 -10.991 4.284 21.569 1.00 0.00 C ATOM 1466 O LYS A 97 -11.169 3.985 22.751 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.549 5.002 21.270 1.00 0.00 C ATOM 1468 CG LYS A 97 -7.138 4.464 20.964 1.00 0.00 C ATOM 1469 CD LYS A 97 -6.015 5.413 21.415 1.00 0.00 C ATOM 1470 CE LYS A 97 -6.071 6.770 20.698 1.00 0.00 C ATOM 1471 NZ LYS A 97 -4.930 7.643 21.091 1.00 0.00 N ATOM 0 H LYS A 97 -9.168 4.550 18.941 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.346 2.998 21.308 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.719 5.923 20.713 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.624 5.251 22.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.009 3.500 21.456 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.048 4.289 19.892 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.087 5.571 22.491 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.049 4.945 21.225 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.056 6.614 19.619 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.011 7.269 20.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.999 8.551 20.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.959 7.812 22.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.034 7.177 20.842 1.00 0.00 H new ATOM 1485 N GLU A 98 -11.968 4.826 20.828 1.00 0.00 N ATOM 1486 CA GLU A 98 -13.358 4.959 21.280 1.00 0.00 C ATOM 1487 C GLU A 98 -14.189 3.685 21.021 1.00 0.00 C ATOM 1488 O GLU A 98 -15.052 3.336 21.829 1.00 0.00 O ATOM 1489 CB GLU A 98 -14.043 6.173 20.629 1.00 0.00 C ATOM 1490 CG GLU A 98 -13.484 7.503 21.148 1.00 0.00 C ATOM 1491 CD GLU A 98 -14.278 8.685 20.579 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -13.984 9.141 19.450 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -15.210 9.172 21.266 1.00 0.00 O ATOM 0 H GLU A 98 -11.812 5.188 19.887 1.00 0.00 H new ATOM 0 HA GLU A 98 -13.314 5.112 22.358 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.914 6.124 19.548 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.115 6.131 20.824 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.527 7.521 22.237 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.434 7.596 20.869 1.00 0.00 H new ATOM 1500 N MET A 99 -13.924 2.971 19.917 1.00 0.00 N ATOM 1501 CA MET A 99 -14.639 1.746 19.527 1.00 0.00 C ATOM 1502 C MET A 99 -14.224 0.496 20.300 1.00 0.00 C ATOM 1503 O MET A 99 -15.053 -0.397 20.450 1.00 0.00 O ATOM 1504 CB MET A 99 -14.507 1.478 18.020 1.00 0.00 C ATOM 1505 CG MET A 99 -15.403 2.407 17.188 1.00 0.00 C ATOM 1506 SD MET A 99 -16.013 1.671 15.648 1.00 0.00 S ATOM 1507 CE MET A 99 -17.221 0.499 16.332 1.00 0.00 C ATOM 0 H MET A 99 -13.192 3.234 19.257 1.00 0.00 H new ATOM 0 HA MET A 99 -15.679 1.944 19.785 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.468 1.611 17.718 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.769 0.441 17.812 1.00 0.00 H new ATOM 0 HG2 MET A 99 -16.256 2.710 17.795 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.845 3.312 16.948 1.00 0.00 H new ATOM 0 HE1 MET A 99 -17.891 0.163 15.540 1.00 0.00 H new ATOM 0 HE2 MET A 99 -16.697 -0.360 16.752 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.801 0.989 17.114 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.993 0.399 20.802 1.00 0.00 N ATOM 1518 CA VAL A 100 -12.592 -0.729 21.662 1.00 0.00 C ATOM 1519 C VAL A 100 -13.523 -0.839 22.879 1.00 0.00 C ATOM 1520 O VAL A 100 -13.714 0.117 23.631 1.00 0.00 O ATOM 1521 CB VAL A 100 -11.093 -0.723 22.029 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.637 0.499 22.840 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -10.703 -2.023 22.748 1.00 0.00 C ATOM 0 H VAL A 100 -12.254 1.082 20.632 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.714 -1.641 21.078 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.565 -0.654 21.078 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.571 0.418 23.052 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.825 1.407 22.267 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.191 0.541 23.778 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.642 -1.997 22.997 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.288 -2.123 23.662 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.902 -2.873 22.096 1.00 0.00 H new ATOM 1533 N GLY A 101 -14.140 -2.016 23.024 1.00 0.00 N ATOM 1534 CA GLY A 101 -15.191 -2.320 24.004 1.00 0.00 C ATOM 1535 C GLY A 101 -16.628 -2.258 23.458 1.00 0.00 C ATOM 1536 O GLY A 101 -17.544 -2.695 24.156 1.00 0.00 O ATOM 0 H GLY A 101 -13.912 -2.818 22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -15.014 -3.318 24.406 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.104 -1.621 24.836 1.00 0.00 H new ATOM 1540 N GLN A 102 -16.847 -1.761 22.234 1.00 0.00 N ATOM 1541 CA GLN A 102 -18.139 -1.816 21.549 1.00 0.00 C ATOM 1542 C GLN A 102 -18.371 -3.210 20.953 1.00 0.00 C ATOM 1543 O GLN A 102 -17.430 -3.956 20.668 1.00 0.00 O ATOM 1544 CB GLN A 102 -18.227 -0.753 20.433 1.00 0.00 C ATOM 1545 CG GLN A 102 -18.079 0.709 20.900 1.00 0.00 C ATOM 1546 CD GLN A 102 -19.177 1.196 21.851 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -20.245 0.611 21.996 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -18.955 2.293 22.548 1.00 0.00 N ATOM 0 H GLN A 102 -16.119 -1.303 21.686 1.00 0.00 H new ATOM 0 HA GLN A 102 -18.913 -1.606 22.287 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -17.453 -0.961 19.694 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -19.187 -0.860 19.927 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.114 0.821 21.394 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -18.065 1.356 20.023 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.073 2.795 22.442 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -19.665 2.640 23.193 1.00 0.00 H new ATOM 1557 N LYS A 103 -19.643 -3.548 20.750 1.00 0.00 N ATOM 1558 CA LYS A 103 -20.102 -4.857 20.278 1.00 0.00 C ATOM 1559 C LYS A 103 -21.374 -4.808 19.402 1.00 0.00 C ATOM 1560 O LYS A 103 -22.171 -3.869 19.492 1.00 0.00 O ATOM 1561 CB LYS A 103 -20.236 -5.755 21.520 1.00 0.00 C ATOM 1562 CG LYS A 103 -21.474 -5.489 22.388 1.00 0.00 C ATOM 1563 CD LYS A 103 -21.330 -6.163 23.761 1.00 0.00 C ATOM 1564 CE LYS A 103 -20.408 -5.345 24.685 1.00 0.00 C ATOM 1565 NZ LYS A 103 -19.883 -6.163 25.809 1.00 0.00 N ATOM 0 H LYS A 103 -20.411 -2.897 20.915 1.00 0.00 H new ATOM 0 HA LYS A 103 -19.370 -5.276 19.588 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.256 -6.796 21.196 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.346 -5.630 22.137 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -21.610 -4.415 22.517 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -22.365 -5.865 21.885 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -22.312 -6.269 24.223 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -20.926 -7.168 23.636 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -19.575 -4.946 24.106 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -20.957 -4.492 25.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -19.454 -5.539 26.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -20.662 -6.699 26.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.165 -6.825 25.451 1.00 0.00 H new ATOM 1579 N MET A 104 -21.546 -5.816 18.536 1.00 0.00 N ATOM 1580 CA MET A 104 -22.563 -5.887 17.467 1.00 0.00 C ATOM 1581 C MET A 104 -23.038 -7.330 17.217 1.00 0.00 C ATOM 1582 O MET A 104 -22.385 -8.295 17.620 1.00 0.00 O ATOM 1583 CB MET A 104 -21.991 -5.293 16.162 1.00 0.00 C ATOM 1584 CG MET A 104 -21.624 -3.804 16.278 1.00 0.00 C ATOM 1585 SD MET A 104 -21.164 -2.995 14.723 1.00 0.00 S ATOM 1586 CE MET A 104 -19.646 -3.902 14.352 1.00 0.00 C ATOM 0 H MET A 104 -20.954 -6.646 18.559 1.00 0.00 H new ATOM 0 HA MET A 104 -23.426 -5.307 17.794 1.00 0.00 H new ATOM 0 HB2 MET A 104 -21.104 -5.857 15.873 1.00 0.00 H new ATOM 0 HB3 MET A 104 -22.722 -5.418 15.363 1.00 0.00 H new ATOM 0 HG2 MET A 104 -22.471 -3.271 16.709 1.00 0.00 H new ATOM 0 HG3 MET A 104 -20.795 -3.705 16.979 1.00 0.00 H new ATOM 0 HE1 MET A 104 -19.155 -3.452 13.489 1.00 0.00 H new ATOM 0 HE2 MET A 104 -18.978 -3.860 15.212 1.00 0.00 H new ATOM 0 HE3 MET A 104 -19.888 -4.941 14.131 1.00 0.00 H new ATOM 1596 N LYS A 105 -24.171 -7.488 16.523 1.00 0.00 N ATOM 1597 CA LYS A 105 -24.758 -8.805 16.198 1.00 0.00 C ATOM 1598 C LYS A 105 -25.698 -8.786 14.976 1.00 0.00 C ATOM 1599 O LYS A 105 -25.619 -9.665 14.118 1.00 0.00 O ATOM 1600 CB LYS A 105 -25.512 -9.334 17.448 1.00 0.00 C ATOM 1601 CG LYS A 105 -25.241 -10.807 17.801 1.00 0.00 C ATOM 1602 CD LYS A 105 -25.511 -11.815 16.671 1.00 0.00 C ATOM 1603 CE LYS A 105 -25.353 -13.278 17.119 1.00 0.00 C ATOM 1604 NZ LYS A 105 -26.410 -13.713 18.079 1.00 0.00 N ATOM 0 H LYS A 105 -24.715 -6.703 16.166 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.936 -9.467 15.925 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -25.242 -8.716 18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -26.583 -9.206 17.288 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.200 -10.904 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -25.855 -11.076 18.660 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -26.522 -11.664 16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -24.827 -11.618 15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -25.378 -13.925 16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.375 -13.406 17.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -26.301 -14.728 18.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -26.318 -13.174 18.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -27.348 -13.540 17.664 1.00 0.00 H new ATOM 1618 N TYR A 106 -26.594 -7.797 14.893 1.00 0.00 N ATOM 1619 CA TYR A 106 -27.703 -7.739 13.924 1.00 0.00 C ATOM 1620 C TYR A 106 -27.267 -7.308 12.506 1.00 0.00 C ATOM 1621 O TYR A 106 -27.552 -6.203 12.047 1.00 0.00 O ATOM 1622 CB TYR A 106 -28.818 -6.853 14.510 1.00 0.00 C ATOM 1623 CG TYR A 106 -29.332 -7.323 15.862 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -30.137 -8.476 15.946 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -28.980 -6.627 17.036 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -30.591 -8.933 17.198 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -29.433 -7.076 18.292 1.00 0.00 C ATOM 1628 CZ TYR A 106 -30.241 -8.234 18.376 1.00 0.00 C ATOM 1629 OH TYR A 106 -30.685 -8.679 19.583 1.00 0.00 O ATOM 0 H TYR A 106 -26.570 -6.989 15.515 1.00 0.00 H new ATOM 0 HA TYR A 106 -28.088 -8.748 13.775 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -28.445 -5.834 14.609 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -29.650 -6.821 13.807 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -30.407 -9.011 15.047 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -28.360 -5.745 16.972 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -31.207 -9.818 17.258 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -29.164 -6.537 19.189 1.00 0.00 H new ATOM 0 HH TYR A 106 -30.355 -8.088 20.291 1.00 0.00 H new ATOM 1639 N SER A 107 -26.551 -8.192 11.806 1.00 0.00 N ATOM 1640 CA SER A 107 -26.016 -8.060 10.437 1.00 0.00 C ATOM 1641 C SER A 107 -25.337 -9.376 10.000 1.00 0.00 C ATOM 1642 O SER A 107 -25.107 -10.265 10.823 1.00 0.00 O ATOM 1643 CB SER A 107 -25.013 -6.885 10.350 1.00 0.00 C ATOM 1644 OG SER A 107 -25.672 -5.637 10.194 1.00 0.00 O ATOM 0 H SER A 107 -26.307 -9.096 12.211 1.00 0.00 H new ATOM 0 HA SER A 107 -26.847 -7.851 9.763 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.401 -6.862 11.252 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.337 -7.046 9.510 1.00 0.00 H new ATOM 0 HG SER A 107 -26.503 -5.639 10.714 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.968 -9.502 8.716 1.00 0.00 N ATOM 1651 CA ILE A 108 -24.122 -10.610 8.217 1.00 0.00 C ATOM 1652 C ILE A 108 -22.703 -10.465 8.795 1.00 0.00 C ATOM 1653 O ILE A 108 -22.241 -9.343 8.988 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.136 -10.623 6.661 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -25.567 -10.695 6.068 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -23.278 -11.769 6.087 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -26.407 -11.907 6.497 1.00 0.00 C ATOM 0 H ILE A 108 -25.245 -8.841 7.990 1.00 0.00 H new ATOM 0 HA ILE A 108 -24.516 -11.571 8.548 1.00 0.00 H new ATOM 0 HB ILE A 108 -23.700 -9.670 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -26.102 -9.788 6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.490 -10.696 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.316 -11.741 4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.246 -11.652 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -23.665 -12.725 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -27.388 -11.856 6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -25.904 -12.825 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.526 -11.902 7.580 1.00 0.00 H new ATOM 1669 N VAL A 109 -21.985 -11.556 9.079 1.00 0.00 N ATOM 1670 CA VAL A 109 -20.668 -11.490 9.762 1.00 0.00 C ATOM 1671 C VAL A 109 -19.640 -10.622 9.015 1.00 0.00 C ATOM 1672 O VAL A 109 -18.953 -9.812 9.635 1.00 0.00 O ATOM 1673 CB VAL A 109 -20.110 -12.899 10.081 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -19.737 -13.731 8.840 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -18.907 -12.807 11.030 1.00 0.00 C ATOM 0 H VAL A 109 -22.286 -12.503 8.850 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.850 -10.988 10.712 1.00 0.00 H new ATOM 0 HB VAL A 109 -20.930 -13.428 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -19.355 -14.702 9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -20.621 -13.873 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.971 -13.208 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.532 -13.809 11.240 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.120 -12.215 10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -19.214 -12.332 11.962 1.00 0.00 H new ATOM 1685 N SER A 110 -19.606 -10.708 7.682 1.00 0.00 N ATOM 1686 CA SER A 110 -18.775 -9.834 6.839 1.00 0.00 C ATOM 1687 C SER A 110 -19.168 -8.363 7.024 1.00 0.00 C ATOM 1688 O SER A 110 -18.304 -7.505 7.230 1.00 0.00 O ATOM 1689 CB SER A 110 -18.907 -10.240 5.361 1.00 0.00 C ATOM 1690 OG SER A 110 -18.653 -11.626 5.184 1.00 0.00 O ATOM 0 H SER A 110 -20.154 -11.386 7.153 1.00 0.00 H new ATOM 0 HA SER A 110 -17.735 -9.950 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 110 -19.909 -10.003 5.004 1.00 0.00 H new ATOM 0 HB3 SER A 110 -18.209 -9.660 4.758 1.00 0.00 H new ATOM 0 HG SER A 110 -18.745 -11.857 4.236 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.476 -8.069 7.061 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.969 -6.704 7.259 1.00 0.00 C ATOM 1698 C ARG A 111 -20.736 -6.191 8.680 1.00 0.00 C ATOM 1699 O ARG A 111 -20.467 -5.008 8.826 1.00 0.00 O ATOM 1700 CB ARG A 111 -22.435 -6.559 6.816 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.832 -5.094 6.536 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.145 -4.527 5.282 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.615 -3.166 4.975 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.049 -2.316 4.124 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.942 -2.600 3.469 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.599 -1.138 3.926 1.00 0.00 N ATOM 0 H ARG A 111 -21.213 -8.766 6.955 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.375 -6.061 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.599 -7.153 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.086 -6.966 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.913 -5.031 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.572 -4.479 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -21.065 -4.514 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.341 -5.181 4.432 1.00 0.00 H new ATOM 0 HE ARG A 111 -23.453 -2.845 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.486 -3.502 3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.541 -1.918 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.452 -0.883 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.172 -0.479 3.275 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.712 -7.036 9.713 1.00 0.00 N ATOM 1721 CA ASN A 112 -20.276 -6.621 11.063 1.00 0.00 C ATOM 1722 C ASN A 112 -18.837 -6.069 11.031 1.00 0.00 C ATOM 1723 O ASN A 112 -18.581 -4.978 11.531 1.00 0.00 O ATOM 1724 CB ASN A 112 -20.395 -7.778 12.075 1.00 0.00 C ATOM 1725 CG ASN A 112 -21.822 -8.058 12.540 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -22.267 -7.567 13.569 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -22.575 -8.861 11.818 1.00 0.00 N ATOM 0 H ASN A 112 -20.989 -8.016 9.648 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.941 -5.823 11.392 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.987 -8.683 11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.779 -7.550 12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -23.527 -9.073 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -22.206 -9.271 10.960 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.910 -6.766 10.367 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.513 -6.345 10.194 1.00 0.00 C ATOM 1736 C CYS A 113 -16.389 -5.079 9.315 1.00 0.00 C ATOM 1737 O CYS A 113 -15.751 -4.107 9.728 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.737 -7.562 9.646 1.00 0.00 C ATOM 1739 SG CYS A 113 -15.724 -8.895 10.891 1.00 0.00 S ATOM 0 H CYS A 113 -18.114 -7.661 9.923 1.00 0.00 H new ATOM 0 HA CYS A 113 -16.078 -6.042 11.146 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -16.200 -7.916 8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.716 -7.273 9.398 1.00 0.00 H new ATOM 0 HG CYS A 113 -16.827 -9.577 10.808 1.00 0.00 H new ATOM 1745 N GLU A 114 -17.048 -5.048 8.152 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.098 -3.863 7.274 1.00 0.00 C ATOM 1747 C GLU A 114 -17.694 -2.650 8.003 1.00 0.00 C ATOM 1748 O GLU A 114 -17.112 -1.570 7.995 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.952 -4.151 6.031 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.328 -5.144 5.041 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.344 -5.619 3.982 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.249 -4.837 3.599 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -18.233 -6.779 3.519 1.00 0.00 O ATOM 0 H GLU A 114 -17.566 -5.847 7.787 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.073 -3.637 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.919 -4.538 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.142 -3.212 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.479 -4.675 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.943 -6.006 5.586 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.833 -2.811 8.681 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.494 -1.734 9.414 1.00 0.00 C ATOM 1762 C HIS A 115 -18.627 -1.259 10.592 1.00 0.00 C ATOM 1763 O HIS A 115 -18.598 -0.062 10.878 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.887 -2.192 9.870 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.734 -1.108 10.495 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.979 0.150 9.985 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -22.466 -1.217 11.647 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.829 0.781 10.816 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -23.158 -0.015 11.851 1.00 0.00 N ATOM 0 H HIS A 115 -19.325 -3.703 8.736 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.623 -0.877 8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -21.420 -2.601 9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.771 -3.003 10.589 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -22.504 -2.084 12.290 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.196 1.786 10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -23.783 0.210 12.625 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.865 -2.153 11.239 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.849 -1.771 12.226 1.00 0.00 C ATOM 1779 C PHE A 116 -15.800 -0.844 11.597 1.00 0.00 C ATOM 1780 O PHE A 116 -15.668 0.293 12.045 1.00 0.00 O ATOM 1781 CB PHE A 116 -16.238 -3.031 12.868 1.00 0.00 C ATOM 1782 CG PHE A 116 -14.846 -2.852 13.448 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -14.651 -2.022 14.566 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.745 -3.515 12.870 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -13.363 -1.841 15.096 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -12.454 -3.328 13.396 1.00 0.00 C ATOM 1787 CZ PHE A 116 -12.261 -2.492 14.513 1.00 0.00 C ATOM 0 H PHE A 116 -17.937 -3.160 11.092 1.00 0.00 H new ATOM 0 HA PHE A 116 -17.316 -1.200 13.028 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -16.903 -3.374 13.661 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -16.203 -3.821 12.118 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -15.494 -1.522 15.019 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.893 -4.167 12.022 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -13.218 -1.200 15.953 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.610 -3.826 12.943 1.00 0.00 H new ATOM 0 HZ PHE A 116 -11.271 -2.351 14.920 1.00 0.00 H new ATOM 1797 N VAL A 117 -15.104 -1.261 10.533 1.00 0.00 N ATOM 1798 CA VAL A 117 -14.055 -0.396 9.940 1.00 0.00 C ATOM 1799 C VAL A 117 -14.612 0.845 9.227 1.00 0.00 C ATOM 1800 O VAL A 117 -13.911 1.850 9.122 1.00 0.00 O ATOM 1801 CB VAL A 117 -13.033 -1.146 9.061 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.272 -2.158 9.927 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.652 -1.831 7.833 1.00 0.00 C ATOM 0 H VAL A 117 -15.235 -2.161 10.071 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.498 -0.039 10.807 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.348 -0.400 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.548 -2.692 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.751 -1.633 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.976 -2.870 10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.870 -2.337 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.394 -2.560 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.132 -1.083 7.202 1.00 0.00 H new ATOM 1813 N THR A 118 -15.888 0.831 8.814 1.00 0.00 N ATOM 1814 CA THR A 118 -16.583 2.030 8.317 1.00 0.00 C ATOM 1815 C THR A 118 -16.878 2.986 9.466 1.00 0.00 C ATOM 1816 O THR A 118 -16.650 4.173 9.300 1.00 0.00 O ATOM 1817 CB THR A 118 -17.877 1.687 7.566 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.645 0.669 6.618 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.421 2.892 6.795 1.00 0.00 C ATOM 0 H THR A 118 -16.467 -0.009 8.815 1.00 0.00 H new ATOM 0 HA THR A 118 -15.916 2.515 7.605 1.00 0.00 H new ATOM 0 HB THR A 118 -18.595 1.369 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.634 -0.201 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.337 2.609 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.634 3.703 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.680 3.223 6.067 1.00 0.00 H new ATOM 1827 N GLN A 119 -17.296 2.509 10.643 1.00 0.00 N ATOM 1828 CA GLN A 119 -17.475 3.360 11.835 1.00 0.00 C ATOM 1829 C GLN A 119 -16.157 4.014 12.302 1.00 0.00 C ATOM 1830 O GLN A 119 -16.195 5.109 12.866 1.00 0.00 O ATOM 1831 CB GLN A 119 -18.124 2.556 12.971 1.00 0.00 C ATOM 1832 CG GLN A 119 -19.636 2.369 12.774 1.00 0.00 C ATOM 1833 CD GLN A 119 -20.188 1.310 13.730 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.811 1.598 14.745 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.955 0.048 13.441 1.00 0.00 N ATOM 0 H GLN A 119 -17.520 1.527 10.801 1.00 0.00 H new ATOM 0 HA GLN A 119 -18.141 4.175 11.552 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.647 1.578 13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.945 3.064 13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -20.148 3.317 12.941 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -19.838 2.075 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.437 -0.195 12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -20.293 -0.688 14.061 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.993 3.409 12.015 1.00 0.00 N ATOM 1845 CA LEU A 120 -13.685 4.052 12.227 1.00 0.00 C ATOM 1846 C LEU A 120 -13.442 5.225 11.255 1.00 0.00 C ATOM 1847 O LEU A 120 -13.014 6.298 11.682 1.00 0.00 O ATOM 1848 CB LEU A 120 -12.553 3.009 12.113 1.00 0.00 C ATOM 1849 CG LEU A 120 -12.609 1.817 13.090 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -11.403 0.902 12.833 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -12.582 2.284 14.548 1.00 0.00 C ATOM 0 H LEU A 120 -14.931 2.466 11.632 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.688 4.470 13.234 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.553 2.616 11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.602 3.522 12.256 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.543 1.281 12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.435 0.056 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.435 0.537 11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.481 1.462 12.990 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.623 1.418 15.208 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.663 2.840 14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -13.441 2.927 14.740 1.00 0.00 H new ATOM 1863 N ARG A 121 -13.721 5.018 9.958 1.00 0.00 N ATOM 1864 CA ARG A 121 -13.501 5.972 8.848 1.00 0.00 C ATOM 1865 C ARG A 121 -14.731 6.830 8.497 1.00 0.00 C ATOM 1866 O ARG A 121 -14.719 7.570 7.516 1.00 0.00 O ATOM 1867 CB ARG A 121 -13.007 5.197 7.605 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.788 4.313 7.913 1.00 0.00 C ATOM 1869 CD ARG A 121 -11.178 3.634 6.684 1.00 0.00 C ATOM 1870 NE ARG A 121 -10.071 2.768 7.139 1.00 0.00 N ATOM 1871 CZ ARG A 121 -8.781 3.092 7.202 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -8.281 4.112 6.548 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -7.954 2.389 7.946 1.00 0.00 N ATOM 0 H ARG A 121 -14.126 4.140 9.634 1.00 0.00 H new ATOM 0 HA ARG A 121 -12.746 6.681 9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.816 4.575 7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -12.749 5.905 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.023 4.923 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.081 3.546 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.932 3.045 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.812 4.381 5.979 1.00 0.00 H new ATOM 0 HE ARG A 121 -10.321 1.825 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -8.886 4.690 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.287 4.328 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.300 1.591 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.967 2.642 7.990 1.00 0.00 H new ATOM 1887 N TYR A 122 -15.778 6.786 9.321 1.00 0.00 N ATOM 1888 CA TYR A 122 -17.122 7.342 9.080 1.00 0.00 C ATOM 1889 C TYR A 122 -17.128 8.859 8.812 1.00 0.00 C ATOM 1890 O TYR A 122 -18.058 9.402 8.215 1.00 0.00 O ATOM 1891 CB TYR A 122 -17.976 7.033 10.321 1.00 0.00 C ATOM 1892 CG TYR A 122 -19.467 6.935 10.065 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -20.032 5.697 9.689 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -20.297 8.061 10.236 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -21.419 5.590 9.465 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -21.685 7.959 10.014 1.00 0.00 C ATOM 1897 CZ TYR A 122 -22.250 6.722 9.627 1.00 0.00 C ATOM 1898 OH TYR A 122 -23.593 6.626 9.412 1.00 0.00 O ATOM 0 H TYR A 122 -15.713 6.334 10.233 1.00 0.00 H new ATOM 0 HA TYR A 122 -17.522 6.881 8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.634 6.093 10.753 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -17.801 7.809 11.066 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -19.399 4.829 9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -19.868 9.005 10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.847 4.643 9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -22.317 8.826 10.139 1.00 0.00 H new ATOM 0 HH TYR A 122 -24.013 7.498 9.569 1.00 0.00 H new ATOM 1908 N GLY A 123 -16.060 9.534 9.262 1.00 0.00 N ATOM 1909 CA GLY A 123 -15.859 10.979 9.095 1.00 0.00 C ATOM 1910 C GLY A 123 -15.601 11.418 7.647 1.00 0.00 C ATOM 1911 O GLY A 123 -15.719 12.608 7.355 1.00 0.00 O ATOM 0 H GLY A 123 -15.296 9.080 9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -16.739 11.502 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.016 11.290 9.712 1.00 0.00 H new ATOM 1915 N LYS A 124 -15.280 10.485 6.738 1.00 0.00 N ATOM 1916 CA LYS A 124 -15.222 10.744 5.286 1.00 0.00 C ATOM 1917 C LYS A 124 -15.777 9.592 4.406 1.00 0.00 C ATOM 1918 O LYS A 124 -16.209 9.852 3.278 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.780 11.157 4.916 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.693 11.765 3.503 1.00 0.00 C ATOM 1921 CD LYS A 124 -12.338 12.450 3.258 1.00 0.00 C ATOM 1922 CE LYS A 124 -12.232 13.048 1.842 1.00 0.00 C ATOM 1923 NZ LYS A 124 -13.108 14.239 1.648 1.00 0.00 N ATOM 0 H LYS A 124 -15.051 9.523 6.988 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.901 11.567 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.413 11.880 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.128 10.286 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.844 10.981 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -14.496 12.490 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.194 13.240 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.536 11.727 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.197 13.329 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.497 12.285 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.995 14.599 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -14.100 13.969 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.840 14.981 2.326 1.00 0.00 H new ATOM 1937 N SER A 125 -15.826 8.348 4.913 1.00 0.00 N ATOM 1938 CA SER A 125 -16.424 7.178 4.232 1.00 0.00 C ATOM 1939 C SER A 125 -17.958 7.209 4.234 1.00 0.00 C ATOM 1940 O SER A 125 -18.566 7.389 5.314 1.00 0.00 O ATOM 1941 CB SER A 125 -15.944 5.876 4.867 1.00 0.00 C ATOM 1942 OG SER A 125 -14.549 5.802 4.683 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.550 7.043 3.142 1.00 0.00 O ATOM 0 H SER A 125 -15.442 8.119 5.830 1.00 0.00 H new ATOM 0 HA SER A 125 -16.092 7.228 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.192 5.853 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.437 5.020 4.406 1.00 0.00 H new ATOM 0 HG SER A 125 -14.236 6.612 4.228 1.00 0.00 H new