USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 162 LYS NZ :NH3+ -117:sc= -1.43! (180deg=-2.1!) USER MOD Set 1.2: A 172 SER OG : rot 121:sc= -0.253 USER MOD Set 2.1: A 152 HIS : no HD1:sc= -12.3! C(o=-18!,f=-26!) USER MOD Set 2.2: A 153 ASN : amide:sc= -5.57! C(o=-18!,f=-20!) USER MOD Set 3.1: A 140 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -71:sc= 0.746 USER MOD Single : A 108 GLN : amide:sc= -0.33 K(o=-0.33,f=-1.3) USER MOD Single : A 112 SER OG : rot -97:sc= 0.996 USER MOD Single : A 116 LYS NZ :NH3+ -156:sc= -0.162 (180deg=-0.908) USER MOD Single : A 119 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 122 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 78:sc= 0.947 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.8!) USER MOD Single : A 143 SER OG : rot 118:sc= 0.97 USER MOD Single : A 147 LYS NZ :NH3+ 152:sc= -0.11 (180deg=-0.782) USER MOD Single : A 148 ASN :FLIP amide:sc= -0.0282 F(o=-1.6!,f=-0.028) USER MOD Single : A 149 SER OG : rot -91:sc= 0.322! USER MOD Single : A 155 SER OG : rot 180:sc= -0.7 USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 165 ASN : amide:sc= -2.32! C(o=-2.3!,f=-4.9!) USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -134:sc= -0.627 (180deg=-3.35!) USER MOD Single : A 177 ASN : amide:sc= -0.0684 K(o=-0.068,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -9.002 9.407 4.882 1.00 0.00 N ATOM 130 CA GLN A 100 -8.778 7.969 5.237 1.00 0.00 C ATOM 131 C GLN A 100 -7.382 7.791 5.839 1.00 0.00 C ATOM 132 O GLN A 100 -6.437 8.436 5.433 1.00 0.00 O ATOM 133 CB GLN A 100 -8.887 7.097 3.983 1.00 0.00 C ATOM 134 CG GLN A 100 -10.291 7.212 3.389 1.00 0.00 C ATOM 135 CD GLN A 100 -10.366 6.379 2.108 1.00 0.00 C ATOM 136 OE1 GLN A 100 -9.984 5.228 2.097 1.00 0.00 O ATOM 137 NE2 GLN A 100 -10.841 6.918 1.017 1.00 0.00 N ATOM 0 HA GLN A 100 -9.535 7.669 5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.145 7.408 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.672 6.058 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.032 6.863 4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.523 8.255 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.163 7.886 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.890 6.371 0.158 1.00 0.00 H new ATOM 146 N SER A 101 -7.244 6.910 6.795 1.00 0.00 N ATOM 147 CA SER A 101 -5.904 6.684 7.408 1.00 0.00 C ATOM 148 C SER A 101 -5.055 5.843 6.458 1.00 0.00 C ATOM 149 O SER A 101 -5.539 5.316 5.476 1.00 0.00 O ATOM 150 CB SER A 101 -6.056 5.945 8.740 1.00 0.00 C ATOM 151 OG SER A 101 -6.629 4.664 8.507 1.00 0.00 O ATOM 0 H SER A 101 -7.999 6.340 7.176 1.00 0.00 H new ATOM 0 HA SER A 101 -5.422 7.645 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.084 5.839 9.222 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.687 6.520 9.418 1.00 0.00 H new ATOM 0 HG SER A 101 -6.725 4.189 9.359 1.00 0.00 H new ATOM 157 N TYR A 102 -3.792 5.716 6.742 1.00 0.00 N ATOM 158 CA TYR A 102 -2.905 4.914 5.856 1.00 0.00 C ATOM 159 C TYR A 102 -3.359 3.454 5.858 1.00 0.00 C ATOM 160 O TYR A 102 -3.307 2.779 4.854 1.00 0.00 O ATOM 161 CB TYR A 102 -1.468 5.004 6.369 1.00 0.00 C ATOM 162 CG TYR A 102 -0.962 6.425 6.227 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.934 7.043 4.968 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.520 7.128 7.358 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.469 8.356 4.842 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.054 8.443 7.228 1.00 0.00 C ATOM 167 CZ TYR A 102 -0.029 9.058 5.969 1.00 0.00 C ATOM 168 OH TYR A 102 0.428 10.352 5.841 1.00 0.00 O ATOM 0 H TYR A 102 -3.333 6.134 7.552 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.957 5.303 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.425 4.695 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.828 4.322 5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.272 6.504 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.539 6.655 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.450 8.829 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.286 8.983 8.099 1.00 0.00 H new ATOM 0 HH TYR A 102 0.694 10.693 6.720 1.00 0.00 H new ATOM 178 N ALA A 103 -3.806 2.962 6.980 1.00 0.00 N ATOM 179 CA ALA A 103 -4.261 1.543 7.040 1.00 0.00 C ATOM 180 C ALA A 103 -5.235 1.264 5.893 1.00 0.00 C ATOM 181 O ALA A 103 -5.056 0.344 5.120 1.00 0.00 O ATOM 182 CB ALA A 103 -4.985 1.295 8.368 1.00 0.00 C ATOM 0 H ALA A 103 -3.876 3.479 7.856 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.394 0.888 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.318 0.258 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.305 1.494 9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.848 1.957 8.441 1.00 0.00 H new ATOM 188 N GLU A 104 -6.274 2.041 5.792 1.00 0.00 N ATOM 189 CA GLU A 104 -7.281 1.822 4.716 1.00 0.00 C ATOM 190 C GLU A 104 -6.670 2.054 3.327 1.00 0.00 C ATOM 191 O GLU A 104 -6.920 1.305 2.401 1.00 0.00 O ATOM 192 CB GLU A 104 -8.443 2.795 4.933 1.00 0.00 C ATOM 193 CG GLU A 104 -9.191 2.412 6.212 1.00 0.00 C ATOM 194 CD GLU A 104 -10.259 3.463 6.515 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.371 4.404 5.748 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.945 3.310 7.511 1.00 0.00 O ATOM 0 H GLU A 104 -6.472 2.825 6.413 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.629 0.790 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.068 3.816 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.120 2.767 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.654 1.432 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.493 2.338 7.046 1.00 0.00 H new ATOM 203 N LEU A 105 -5.885 3.083 3.162 1.00 0.00 N ATOM 204 CA LEU A 105 -5.287 3.350 1.819 1.00 0.00 C ATOM 205 C LEU A 105 -4.452 2.149 1.366 1.00 0.00 C ATOM 206 O LEU A 105 -4.477 1.768 0.211 1.00 0.00 O ATOM 207 CB LEU A 105 -4.398 4.599 1.884 1.00 0.00 C ATOM 208 CG LEU A 105 -5.272 5.859 1.985 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.437 7.019 2.542 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.798 6.239 0.592 1.00 0.00 C ATOM 0 H LEU A 105 -5.632 3.748 3.893 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.091 3.515 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.732 4.538 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.767 4.654 0.997 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.113 5.659 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.057 7.912 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.064 6.756 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.596 7.214 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.417 7.133 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.957 6.436 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.393 5.418 0.192 1.00 0.00 H new ATOM 222 N ILE A 106 -3.715 1.547 2.253 1.00 0.00 N ATOM 223 CA ILE A 106 -2.888 0.376 1.851 1.00 0.00 C ATOM 224 C ILE A 106 -3.795 -0.724 1.291 1.00 0.00 C ATOM 225 O ILE A 106 -3.493 -1.341 0.288 1.00 0.00 O ATOM 226 CB ILE A 106 -2.138 -0.158 3.076 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.200 0.928 3.616 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.314 -1.384 2.681 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.748 0.584 5.043 1.00 0.00 C ATOM 0 H ILE A 106 -3.648 1.812 3.236 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.173 0.680 1.087 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.859 -0.436 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.331 1.023 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.709 1.892 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.782 -1.761 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.977 -2.159 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.595 -1.106 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.083 1.365 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.620 0.513 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.220 -0.370 5.038 1.00 0.00 H new ATOM 241 N SER A 107 -4.898 -0.981 1.938 1.00 0.00 N ATOM 242 CA SER A 107 -5.817 -2.049 1.454 1.00 0.00 C ATOM 243 C SER A 107 -6.248 -1.764 0.018 1.00 0.00 C ATOM 244 O SER A 107 -6.269 -2.648 -0.817 1.00 0.00 O ATOM 245 CB SER A 107 -7.051 -2.107 2.349 1.00 0.00 C ATOM 246 OG SER A 107 -8.042 -1.226 1.837 1.00 0.00 O ATOM 0 H SER A 107 -5.203 -0.497 2.782 1.00 0.00 H new ATOM 0 HA SER A 107 -5.293 -3.004 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.438 -3.125 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.789 -1.825 3.369 1.00 0.00 H new ATOM 0 HG SER A 107 -7.760 -0.298 1.979 1.00 0.00 H new ATOM 252 N GLN A 108 -6.588 -0.542 -0.286 1.00 0.00 N ATOM 253 CA GLN A 108 -7.007 -0.234 -1.678 1.00 0.00 C ATOM 254 C GLN A 108 -5.867 -0.627 -2.614 1.00 0.00 C ATOM 255 O GLN A 108 -6.086 -1.094 -3.711 1.00 0.00 O ATOM 256 CB GLN A 108 -7.304 1.264 -1.818 1.00 0.00 C ATOM 257 CG GLN A 108 -8.462 1.646 -0.893 1.00 0.00 C ATOM 258 CD GLN A 108 -8.780 3.134 -1.055 1.00 0.00 C ATOM 259 OE1 GLN A 108 -7.908 3.970 -0.933 1.00 0.00 O ATOM 260 NE2 GLN A 108 -10.004 3.504 -1.326 1.00 0.00 N ATOM 0 H GLN A 108 -6.594 0.246 0.361 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.911 -0.788 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.417 1.846 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.558 1.500 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.342 1.048 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.199 1.431 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.738 2.803 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.225 4.494 -1.435 1.00 0.00 H new ATOM 269 N ALA A 109 -4.647 -0.458 -2.171 1.00 0.00 N ATOM 270 CA ALA A 109 -3.477 -0.835 -3.014 1.00 0.00 C ATOM 271 C ALA A 109 -3.548 -2.327 -3.355 1.00 0.00 C ATOM 272 O ALA A 109 -3.381 -2.724 -4.492 1.00 0.00 O ATOM 273 CB ALA A 109 -2.187 -0.544 -2.239 1.00 0.00 C ATOM 0 H ALA A 109 -4.412 -0.073 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.488 -0.257 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.326 -0.817 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.139 0.518 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.177 -1.126 -1.317 1.00 0.00 H new ATOM 279 N ILE A 110 -3.798 -3.155 -2.379 1.00 0.00 N ATOM 280 CA ILE A 110 -3.883 -4.620 -2.643 1.00 0.00 C ATOM 281 C ILE A 110 -5.074 -4.883 -3.566 1.00 0.00 C ATOM 282 O ILE A 110 -4.953 -5.532 -4.587 1.00 0.00 O ATOM 283 CB ILE A 110 -4.087 -5.353 -1.307 1.00 0.00 C ATOM 284 CG1 ILE A 110 -3.055 -4.864 -0.280 1.00 0.00 C ATOM 285 CG2 ILE A 110 -3.932 -6.866 -1.500 1.00 0.00 C ATOM 286 CD1 ILE A 110 -1.642 -4.946 -0.864 1.00 0.00 C ATOM 0 H ILE A 110 -3.947 -2.880 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.969 -4.977 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.093 -5.140 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.277 -3.837 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.117 -5.469 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.079 -7.371 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.674 -7.219 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.932 -7.084 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.922 -4.596 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.417 -5.979 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.580 -4.321 -1.755 1.00 0.00 H new ATOM 298 N GLU A 111 -6.224 -4.379 -3.214 1.00 0.00 N ATOM 299 CA GLU A 111 -7.429 -4.588 -4.063 1.00 0.00 C ATOM 300 C GLU A 111 -7.262 -3.873 -5.408 1.00 0.00 C ATOM 301 O GLU A 111 -8.008 -4.111 -6.337 1.00 0.00 O ATOM 302 CB GLU A 111 -8.666 -4.046 -3.346 1.00 0.00 C ATOM 303 CG GLU A 111 -8.839 -4.778 -2.013 1.00 0.00 C ATOM 304 CD GLU A 111 -10.287 -4.639 -1.535 1.00 0.00 C ATOM 305 OE1 GLU A 111 -11.169 -4.605 -2.378 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.488 -4.570 -0.335 1.00 0.00 O ATOM 0 H GLU A 111 -6.381 -3.828 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.551 -5.656 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.561 -2.975 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.551 -4.184 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.583 -5.831 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.158 -4.365 -1.269 1.00 0.00 H new ATOM 313 N SER A 112 -6.296 -2.998 -5.529 1.00 0.00 N ATOM 314 CA SER A 112 -6.114 -2.287 -6.829 1.00 0.00 C ATOM 315 C SER A 112 -5.547 -3.274 -7.838 1.00 0.00 C ATOM 316 O SER A 112 -5.933 -3.298 -8.989 1.00 0.00 O ATOM 317 CB SER A 112 -5.143 -1.116 -6.667 1.00 0.00 C ATOM 318 OG SER A 112 -3.809 -1.604 -6.709 1.00 0.00 O ATOM 0 H SER A 112 -5.634 -2.748 -4.794 1.00 0.00 H new ATOM 0 HA SER A 112 -7.074 -1.897 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.300 -0.385 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.326 -0.605 -5.722 1.00 0.00 H new ATOM 0 HG SER A 112 -3.476 -1.725 -5.795 1.00 0.00 H new ATOM 324 N ALA A 113 -4.647 -4.110 -7.409 1.00 0.00 N ATOM 325 CA ALA A 113 -4.073 -5.118 -8.332 1.00 0.00 C ATOM 326 C ALA A 113 -5.172 -6.133 -8.658 1.00 0.00 C ATOM 327 O ALA A 113 -6.134 -6.266 -7.929 1.00 0.00 O ATOM 328 CB ALA A 113 -2.890 -5.813 -7.650 1.00 0.00 C ATOM 0 H ALA A 113 -4.284 -4.137 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.716 -4.650 -9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.465 -6.555 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.129 -5.074 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.233 -6.305 -6.740 1.00 0.00 H new ATOM 334 N PRO A 114 -5.044 -6.833 -9.749 1.00 0.00 N ATOM 335 CA PRO A 114 -6.063 -7.839 -10.177 1.00 0.00 C ATOM 336 C PRO A 114 -6.106 -9.062 -9.252 1.00 0.00 C ATOM 337 O PRO A 114 -7.102 -9.340 -8.614 1.00 0.00 O ATOM 338 CB PRO A 114 -5.600 -8.244 -11.579 1.00 0.00 C ATOM 339 CG PRO A 114 -4.134 -7.966 -11.596 1.00 0.00 C ATOM 340 CD PRO A 114 -3.920 -6.750 -10.695 1.00 0.00 C ATOM 0 HA PRO A 114 -7.072 -7.429 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -5.804 -9.297 -11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.119 -7.671 -12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.571 -8.825 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -3.788 -7.765 -12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.959 -6.792 -10.183 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.939 -5.820 -11.263 1.00 0.00 H new ATOM 348 N GLU A 115 -5.031 -9.795 -9.187 1.00 0.00 N ATOM 349 CA GLU A 115 -4.996 -11.007 -8.320 1.00 0.00 C ATOM 350 C GLU A 115 -5.154 -10.612 -6.850 1.00 0.00 C ATOM 351 O GLU A 115 -5.291 -11.458 -5.991 1.00 0.00 O ATOM 352 CB GLU A 115 -3.658 -11.722 -8.514 1.00 0.00 C ATOM 353 CG GLU A 115 -3.614 -12.345 -9.908 1.00 0.00 C ATOM 354 CD GLU A 115 -2.300 -13.105 -10.085 1.00 0.00 C ATOM 355 OE1 GLU A 115 -1.997 -13.929 -9.237 1.00 0.00 O ATOM 356 OE2 GLU A 115 -1.620 -12.853 -11.064 1.00 0.00 O ATOM 0 H GLU A 115 -4.170 -9.607 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.817 -11.669 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.835 -11.017 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.532 -12.494 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.458 -13.021 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.703 -11.569 -10.668 1.00 0.00 H new ATOM 363 N LYS A 116 -5.122 -9.341 -6.552 1.00 0.00 N ATOM 364 CA LYS A 116 -5.255 -8.903 -5.130 1.00 0.00 C ATOM 365 C LYS A 116 -4.028 -9.387 -4.356 1.00 0.00 C ATOM 366 O LYS A 116 -4.135 -10.090 -3.372 1.00 0.00 O ATOM 367 CB LYS A 116 -6.525 -9.496 -4.503 1.00 0.00 C ATOM 368 CG LYS A 116 -7.744 -9.105 -5.340 1.00 0.00 C ATOM 369 CD LYS A 116 -9.021 -9.481 -4.580 1.00 0.00 C ATOM 370 CE LYS A 116 -10.251 -8.974 -5.338 1.00 0.00 C ATOM 371 NZ LYS A 116 -10.138 -7.502 -5.543 1.00 0.00 N ATOM 0 H LYS A 116 -5.010 -8.587 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.325 -7.816 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.442 -10.581 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.641 -9.133 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.731 -8.035 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.717 -9.614 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.078 -10.563 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.998 -9.051 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.333 -9.480 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.157 -9.205 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.087 -7.096 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.685 -7.070 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.563 -7.312 -6.389 1.00 0.00 H new ATOM 385 N ARG A 117 -2.856 -9.024 -4.811 1.00 0.00 N ATOM 386 CA ARG A 117 -1.603 -9.467 -4.131 1.00 0.00 C ATOM 387 C ARG A 117 -0.473 -8.499 -4.494 1.00 0.00 C ATOM 388 O ARG A 117 -0.228 -8.248 -5.657 1.00 0.00 O ATOM 389 CB ARG A 117 -1.217 -10.857 -4.650 1.00 0.00 C ATOM 390 CG ARG A 117 -2.278 -11.893 -4.274 1.00 0.00 C ATOM 391 CD ARG A 117 -1.759 -13.287 -4.635 1.00 0.00 C ATOM 392 NE ARG A 117 -2.851 -14.289 -4.481 1.00 0.00 N ATOM 393 CZ ARG A 117 -2.731 -15.470 -5.026 1.00 0.00 C ATOM 394 NH1 ARG A 117 -1.678 -15.752 -5.742 1.00 0.00 N ATOM 395 NH2 ARG A 117 -3.667 -16.366 -4.862 1.00 0.00 N ATOM 0 H ARG A 117 -2.713 -8.435 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.760 -9.490 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.101 -10.826 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.253 -11.150 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.498 -11.837 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.209 -11.689 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.390 -13.293 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.919 -13.550 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.690 -14.053 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.949 -15.051 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -1.583 -16.674 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.494 -16.144 -4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -3.571 -17.288 -5.289 1.00 0.00 H new ATOM 409 N LEU A 118 0.225 -7.958 -3.526 1.00 0.00 N ATOM 410 CA LEU A 118 1.340 -7.013 -3.858 1.00 0.00 C ATOM 411 C LEU A 118 2.440 -7.105 -2.795 1.00 0.00 C ATOM 412 O LEU A 118 2.181 -7.366 -1.638 1.00 0.00 O ATOM 413 CB LEU A 118 0.813 -5.570 -3.901 1.00 0.00 C ATOM 414 CG LEU A 118 -0.056 -5.336 -5.146 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.538 -3.883 -5.140 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.759 -5.583 -6.425 1.00 0.00 C ATOM 0 H LEU A 118 0.075 -8.126 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 118 1.745 -7.286 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.230 -5.365 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.651 -4.873 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.901 -6.024 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.157 -3.701 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.123 -3.698 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.322 -3.214 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.128 -5.413 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.608 -4.900 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.120 -6.611 -6.434 1.00 0.00 H new ATOM 428 N THR A 119 3.671 -6.876 -3.180 1.00 0.00 N ATOM 429 CA THR A 119 4.786 -6.933 -2.189 1.00 0.00 C ATOM 430 C THR A 119 4.945 -5.551 -1.552 1.00 0.00 C ATOM 431 O THR A 119 4.299 -4.604 -1.954 1.00 0.00 O ATOM 432 CB THR A 119 6.090 -7.328 -2.888 1.00 0.00 C ATOM 433 OG1 THR A 119 6.471 -6.306 -3.796 1.00 0.00 O ATOM 434 CG2 THR A 119 5.890 -8.643 -3.641 1.00 0.00 C ATOM 0 H THR A 119 3.950 -6.653 -4.135 1.00 0.00 H new ATOM 0 HA THR A 119 4.559 -7.676 -1.424 1.00 0.00 H new ATOM 0 HB THR A 119 6.876 -7.458 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.306 -6.559 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.819 -8.923 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 119 5.605 -9.425 -2.938 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.103 -8.520 -4.385 1.00 0.00 H new ATOM 442 N LEU A 120 5.786 -5.415 -0.562 1.00 0.00 N ATOM 443 CA LEU A 120 5.948 -4.079 0.077 1.00 0.00 C ATOM 444 C LEU A 120 6.393 -3.051 -0.972 1.00 0.00 C ATOM 445 O LEU A 120 5.873 -1.956 -1.040 1.00 0.00 O ATOM 446 CB LEU A 120 7.002 -4.152 1.192 1.00 0.00 C ATOM 447 CG LEU A 120 7.089 -2.793 1.908 1.00 0.00 C ATOM 448 CD1 LEU A 120 5.909 -2.630 2.871 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.400 -2.696 2.695 1.00 0.00 C ATOM 0 H LEU A 120 6.361 -6.162 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 120 4.992 -3.776 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.739 -4.934 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.973 -4.416 0.772 1.00 0.00 H new ATOM 0 HG LEU A 120 7.057 -2.003 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.980 -1.665 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.974 -2.681 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.932 -3.428 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.452 -1.730 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.439 -3.494 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.243 -2.794 2.011 1.00 0.00 H new ATOM 461 N ALA A 121 7.358 -3.385 -1.784 1.00 0.00 N ATOM 462 CA ALA A 121 7.836 -2.411 -2.811 1.00 0.00 C ATOM 463 C ALA A 121 6.687 -1.987 -3.734 1.00 0.00 C ATOM 464 O ALA A 121 6.580 -0.837 -4.109 1.00 0.00 O ATOM 465 CB ALA A 121 8.946 -3.042 -3.650 1.00 0.00 C ATOM 0 H ALA A 121 7.836 -4.286 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 121 8.218 -1.531 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.289 -2.326 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.778 -3.319 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.563 -3.932 -4.150 1.00 0.00 H new ATOM 471 N GLN A 122 5.835 -2.897 -4.118 1.00 0.00 N ATOM 472 CA GLN A 122 4.717 -2.525 -5.028 1.00 0.00 C ATOM 473 C GLN A 122 3.804 -1.517 -4.330 1.00 0.00 C ATOM 474 O GLN A 122 3.226 -0.648 -4.953 1.00 0.00 O ATOM 475 CB GLN A 122 3.906 -3.777 -5.366 1.00 0.00 C ATOM 476 CG GLN A 122 4.790 -4.820 -6.060 1.00 0.00 C ATOM 477 CD GLN A 122 5.318 -4.271 -7.384 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.672 -3.466 -8.025 1.00 0.00 O ATOM 479 NE2 GLN A 122 6.474 -4.681 -7.825 1.00 0.00 N ATOM 0 H GLN A 122 5.865 -3.878 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 122 5.122 -2.085 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.482 -4.200 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.070 -3.512 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.624 -5.089 -5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 122 4.218 -5.731 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.015 -5.357 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.838 -4.326 -8.709 1.00 0.00 H new ATOM 488 N ILE A 123 3.661 -1.631 -3.040 1.00 0.00 N ATOM 489 CA ILE A 123 2.774 -0.688 -2.305 1.00 0.00 C ATOM 490 C ILE A 123 3.295 0.743 -2.438 1.00 0.00 C ATOM 491 O ILE A 123 2.557 1.654 -2.760 1.00 0.00 O ATOM 492 CB ILE A 123 2.744 -1.065 -0.821 1.00 0.00 C ATOM 493 CG1 ILE A 123 1.940 -2.358 -0.633 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.100 0.067 -0.012 1.00 0.00 C ATOM 495 CD1 ILE A 123 1.983 -2.778 0.840 1.00 0.00 C ATOM 0 H ILE A 123 4.120 -2.336 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 123 1.772 -0.750 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 123 3.764 -1.221 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.908 -2.206 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.352 -3.149 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.081 -0.205 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.680 0.981 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.081 0.231 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.412 -3.697 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.017 -2.947 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.551 -1.989 1.456 1.00 0.00 H new ATOM 507 N TYR A 124 4.553 0.958 -2.169 1.00 0.00 N ATOM 508 CA TYR A 124 5.102 2.339 -2.258 1.00 0.00 C ATOM 509 C TYR A 124 4.915 2.892 -3.674 1.00 0.00 C ATOM 510 O TYR A 124 4.479 4.011 -3.855 1.00 0.00 O ATOM 511 CB TYR A 124 6.588 2.314 -1.884 1.00 0.00 C ATOM 512 CG TYR A 124 6.713 2.266 -0.379 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.573 3.440 0.368 1.00 0.00 C ATOM 514 CD2 TYR A 124 6.956 1.048 0.269 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.675 3.398 1.763 1.00 0.00 C ATOM 516 CE2 TYR A 124 7.059 1.007 1.664 1.00 0.00 C ATOM 517 CZ TYR A 124 6.919 2.181 2.411 1.00 0.00 C ATOM 518 OH TYR A 124 7.019 2.139 3.786 1.00 0.00 O ATOM 0 H TYR A 124 5.222 0.240 -1.892 1.00 0.00 H new ATOM 0 HA TYR A 124 4.568 2.989 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.075 1.447 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.090 3.198 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.386 4.379 -0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 124 7.064 0.141 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.566 4.304 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.247 0.068 2.164 1.00 0.00 H new ATOM 0 HH TYR A 124 7.189 1.218 4.074 1.00 0.00 H new ATOM 528 N GLU A 125 5.232 2.123 -4.679 1.00 0.00 N ATOM 529 CA GLU A 125 5.062 2.617 -6.076 1.00 0.00 C ATOM 530 C GLU A 125 3.595 2.974 -6.331 1.00 0.00 C ATOM 531 O GLU A 125 3.285 3.910 -7.039 1.00 0.00 O ATOM 532 CB GLU A 125 5.504 1.527 -7.056 1.00 0.00 C ATOM 533 CG GLU A 125 7.019 1.345 -6.957 1.00 0.00 C ATOM 534 CD GLU A 125 7.487 0.340 -8.010 1.00 0.00 C ATOM 535 OE1 GLU A 125 6.679 -0.477 -8.420 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.645 0.403 -8.388 1.00 0.00 O ATOM 0 H GLU A 125 5.601 1.176 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 125 5.673 3.508 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 125 4.998 0.589 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.224 1.801 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.520 2.301 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.289 0.995 -5.961 1.00 0.00 H new ATOM 543 N TRP A 126 2.690 2.222 -5.770 1.00 0.00 N ATOM 544 CA TRP A 126 1.242 2.498 -5.986 1.00 0.00 C ATOM 545 C TRP A 126 0.890 3.897 -5.468 1.00 0.00 C ATOM 546 O TRP A 126 0.301 4.697 -6.165 1.00 0.00 O ATOM 547 CB TRP A 126 0.428 1.434 -5.243 1.00 0.00 C ATOM 548 CG TRP A 126 -1.035 1.711 -5.380 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.783 1.441 -6.475 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.940 2.291 -4.400 1.00 0.00 C ATOM 551 NE1 TRP A 126 -3.090 1.822 -6.226 1.00 0.00 N ATOM 552 CE2 TRP A 126 -3.236 2.353 -4.962 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.760 2.767 -3.092 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.316 2.869 -4.249 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.844 3.289 -2.369 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.120 3.340 -2.947 1.00 0.00 C ATOM 0 H TRP A 126 2.892 1.424 -5.168 1.00 0.00 H new ATOM 0 HA TRP A 126 1.010 2.462 -7.050 1.00 0.00 H new ATOM 0 HB2 TRP A 126 0.657 0.446 -5.643 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.706 1.424 -4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.420 1.001 -7.392 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.853 1.722 -6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.780 2.731 -2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.297 2.905 -4.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.694 3.653 -1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.951 3.743 -2.387 1.00 0.00 H new ATOM 567 N MET A 127 1.249 4.203 -4.255 1.00 0.00 N ATOM 568 CA MET A 127 0.939 5.557 -3.708 1.00 0.00 C ATOM 569 C MET A 127 1.584 6.629 -4.583 1.00 0.00 C ATOM 570 O MET A 127 1.038 7.694 -4.787 1.00 0.00 O ATOM 571 CB MET A 127 1.487 5.673 -2.290 1.00 0.00 C ATOM 572 CG MET A 127 0.808 4.629 -1.408 1.00 0.00 C ATOM 573 SD MET A 127 1.204 4.951 0.324 1.00 0.00 S ATOM 574 CE MET A 127 -0.065 3.872 1.032 1.00 0.00 C ATOM 0 H MET A 127 1.743 3.578 -3.617 1.00 0.00 H new ATOM 0 HA MET A 127 -0.142 5.698 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.566 5.521 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.306 6.673 -1.897 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.271 4.659 -1.557 1.00 0.00 H new ATOM 0 HG3 MET A 127 1.141 3.629 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.010 3.911 2.120 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.050 4.207 0.707 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.099 2.848 0.696 1.00 0.00 H new ATOM 584 N VAL A 128 2.751 6.356 -5.090 1.00 0.00 N ATOM 585 CA VAL A 128 3.451 7.356 -5.942 1.00 0.00 C ATOM 586 C VAL A 128 2.634 7.606 -7.215 1.00 0.00 C ATOM 587 O VAL A 128 2.307 8.728 -7.539 1.00 0.00 O ATOM 588 CB VAL A 128 4.839 6.817 -6.310 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.632 7.896 -7.055 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.594 6.418 -5.028 1.00 0.00 C ATOM 0 H VAL A 128 3.253 5.479 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 128 3.558 8.295 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 128 4.726 5.944 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.617 7.509 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.100 8.175 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.743 8.772 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.580 6.035 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.703 7.290 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.034 5.646 -4.501 1.00 0.00 H new ATOM 600 N ARG A 129 2.299 6.569 -7.937 1.00 0.00 N ATOM 601 CA ARG A 129 1.499 6.757 -9.186 1.00 0.00 C ATOM 602 C ARG A 129 0.041 7.090 -8.843 1.00 0.00 C ATOM 603 O ARG A 129 -0.633 7.780 -9.578 1.00 0.00 O ATOM 604 CB ARG A 129 1.538 5.474 -10.011 1.00 0.00 C ATOM 605 CG ARG A 129 0.908 4.340 -9.208 1.00 0.00 C ATOM 606 CD ARG A 129 1.337 2.991 -9.786 1.00 0.00 C ATOM 607 NE ARG A 129 0.322 1.964 -9.416 1.00 0.00 N ATOM 608 CZ ARG A 129 0.321 0.795 -9.993 1.00 0.00 C ATOM 609 NH1 ARG A 129 1.196 0.521 -10.922 1.00 0.00 N ATOM 610 NH2 ARG A 129 -0.564 -0.099 -9.646 1.00 0.00 N ATOM 0 H ARG A 129 2.543 5.603 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 129 1.927 7.581 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.000 5.614 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.567 5.225 -10.269 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.211 4.411 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.178 4.426 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.429 3.057 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.317 2.709 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.378 2.178 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.883 1.222 -11.198 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.193 -0.395 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.252 0.118 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.567 -1.015 -10.096 1.00 0.00 H new ATOM 624 N THR A 130 -0.457 6.592 -7.739 1.00 0.00 N ATOM 625 CA THR A 130 -1.877 6.868 -7.364 1.00 0.00 C ATOM 626 C THR A 130 -1.990 8.238 -6.702 1.00 0.00 C ATOM 627 O THR A 130 -3.029 8.867 -6.732 1.00 0.00 O ATOM 628 CB THR A 130 -2.364 5.806 -6.371 1.00 0.00 C ATOM 629 OG1 THR A 130 -2.031 4.514 -6.857 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.887 5.914 -6.197 1.00 0.00 C ATOM 0 H THR A 130 0.058 6.007 -7.082 1.00 0.00 H new ATOM 0 HA THR A 130 -2.485 6.846 -8.268 1.00 0.00 H new ATOM 0 HB THR A 130 -1.881 5.968 -5.407 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.082 4.336 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.227 5.157 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.141 6.904 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.375 5.758 -7.159 1.00 0.00 H new ATOM 638 N VAL A 131 -0.938 8.702 -6.090 1.00 0.00 N ATOM 639 CA VAL A 131 -0.996 10.026 -5.409 1.00 0.00 C ATOM 640 C VAL A 131 0.285 10.807 -5.697 1.00 0.00 C ATOM 641 O VAL A 131 1.214 10.797 -4.915 1.00 0.00 O ATOM 642 CB VAL A 131 -1.129 9.804 -3.899 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.293 11.154 -3.178 1.00 0.00 C ATOM 644 CG2 VAL A 131 -2.353 8.916 -3.620 1.00 0.00 C ATOM 0 H VAL A 131 -0.040 8.222 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 131 -1.852 10.591 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.229 9.314 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.387 10.985 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.421 11.778 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.188 11.656 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.450 8.757 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.251 9.406 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -2.227 7.955 -4.119 1.00 0.00 H new ATOM 654 N PRO A 132 0.327 11.493 -6.811 1.00 0.00 N ATOM 655 CA PRO A 132 1.510 12.305 -7.207 1.00 0.00 C ATOM 656 C PRO A 132 2.038 13.155 -6.048 1.00 0.00 C ATOM 657 O PRO A 132 3.126 13.690 -6.099 1.00 0.00 O ATOM 658 CB PRO A 132 0.970 13.196 -8.329 1.00 0.00 C ATOM 659 CG PRO A 132 -0.136 12.405 -8.947 1.00 0.00 C ATOM 660 CD PRO A 132 -0.746 11.569 -7.820 1.00 0.00 C ATOM 0 HA PRO A 132 2.352 11.684 -7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.606 14.146 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 132 1.746 13.427 -9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -0.883 13.062 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.242 11.766 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -1.642 12.039 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.036 10.578 -8.170 1.00 0.00 H new ATOM 668 N TYR A 133 1.272 13.279 -5.002 1.00 0.00 N ATOM 669 CA TYR A 133 1.721 14.094 -3.838 1.00 0.00 C ATOM 670 C TYR A 133 3.037 13.535 -3.276 1.00 0.00 C ATOM 671 O TYR A 133 3.810 14.249 -2.671 1.00 0.00 O ATOM 672 CB TYR A 133 0.639 14.059 -2.756 1.00 0.00 C ATOM 673 CG TYR A 133 0.925 15.121 -1.719 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.616 16.463 -1.981 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.502 14.764 -0.493 1.00 0.00 C ATOM 676 CE1 TYR A 133 0.886 17.443 -1.019 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.770 15.746 0.468 1.00 0.00 C ATOM 678 CZ TYR A 133 1.463 17.084 0.205 1.00 0.00 C ATOM 679 OH TYR A 133 1.722 18.050 1.151 1.00 0.00 O ATOM 0 H TYR A 133 0.352 12.850 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 133 1.888 15.122 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.341 14.227 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.612 13.076 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.170 16.740 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.740 13.730 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.649 18.477 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.214 15.470 1.413 1.00 0.00 H new ATOM 0 HH TYR A 133 2.122 17.633 1.943 1.00 0.00 H new ATOM 689 N PHE A 134 3.298 12.264 -3.458 1.00 0.00 N ATOM 690 CA PHE A 134 4.562 11.677 -2.911 1.00 0.00 C ATOM 691 C PHE A 134 5.715 11.821 -3.912 1.00 0.00 C ATOM 692 O PHE A 134 6.868 11.690 -3.553 1.00 0.00 O ATOM 693 CB PHE A 134 4.354 10.186 -2.623 1.00 0.00 C ATOM 694 CG PHE A 134 3.594 10.011 -1.326 1.00 0.00 C ATOM 695 CD1 PHE A 134 4.095 10.559 -0.136 1.00 0.00 C ATOM 696 CD2 PHE A 134 2.387 9.301 -1.314 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.388 10.397 1.060 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.681 9.138 -0.114 1.00 0.00 C ATOM 699 CZ PHE A 134 2.183 9.688 1.072 1.00 0.00 C ATOM 0 H PHE A 134 2.695 11.611 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 134 4.813 12.213 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.804 9.722 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 134 5.318 9.681 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.026 11.106 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.000 8.879 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 134 3.774 10.820 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.751 8.589 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.639 9.564 1.997 1.00 0.00 H new ATOM 709 N LYS A 135 5.427 12.067 -5.157 1.00 0.00 N ATOM 710 CA LYS A 135 6.529 12.189 -6.157 1.00 0.00 C ATOM 711 C LYS A 135 7.477 13.325 -5.778 1.00 0.00 C ATOM 712 O LYS A 135 8.669 13.252 -6.001 1.00 0.00 O ATOM 713 CB LYS A 135 5.938 12.474 -7.535 1.00 0.00 C ATOM 714 CG LYS A 135 5.241 11.224 -8.058 1.00 0.00 C ATOM 715 CD LYS A 135 4.654 11.518 -9.440 1.00 0.00 C ATOM 716 CE LYS A 135 3.801 10.336 -9.896 1.00 0.00 C ATOM 717 NZ LYS A 135 3.260 10.619 -11.254 1.00 0.00 N ATOM 0 H LYS A 135 4.484 12.189 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 135 7.086 11.252 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 135 5.229 13.300 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 135 6.725 12.779 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.948 10.397 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 135 4.451 10.919 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 135 4.049 12.424 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 135 5.456 11.699 -10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 135 4.399 9.425 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.984 10.169 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.678 9.817 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.676 11.479 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 4.047 10.759 -11.919 1.00 0.00 H new ATOM 731 N ASP A 136 6.961 14.381 -5.225 1.00 0.00 N ATOM 732 CA ASP A 136 7.834 15.527 -4.853 1.00 0.00 C ATOM 733 C ASP A 136 8.795 15.118 -3.733 1.00 0.00 C ATOM 734 O ASP A 136 9.987 15.332 -3.818 1.00 0.00 O ATOM 735 CB ASP A 136 6.962 16.689 -4.376 1.00 0.00 C ATOM 736 CG ASP A 136 7.816 17.952 -4.245 1.00 0.00 C ATOM 737 OD1 ASP A 136 8.135 18.536 -5.268 1.00 0.00 O ATOM 738 OD2 ASP A 136 8.137 18.314 -3.126 1.00 0.00 O ATOM 0 H ASP A 136 5.971 14.503 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 136 8.415 15.831 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.148 16.860 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 136 6.506 16.445 -3.416 1.00 0.00 H new ATOM 743 N LYS A 137 8.291 14.534 -2.684 1.00 0.00 N ATOM 744 CA LYS A 137 9.179 14.119 -1.564 1.00 0.00 C ATOM 745 C LYS A 137 10.120 13.009 -2.033 1.00 0.00 C ATOM 746 O LYS A 137 11.182 12.801 -1.476 1.00 0.00 O ATOM 747 CB LYS A 137 8.320 13.628 -0.400 1.00 0.00 C ATOM 748 CG LYS A 137 7.429 14.777 0.070 1.00 0.00 C ATOM 749 CD LYS A 137 6.589 14.332 1.265 1.00 0.00 C ATOM 750 CE LYS A 137 5.696 15.491 1.702 1.00 0.00 C ATOM 751 NZ LYS A 137 5.036 15.156 2.994 1.00 0.00 N ATOM 0 H LYS A 137 7.301 14.326 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 137 9.779 14.968 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.710 12.780 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.953 13.282 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.043 15.635 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.778 15.099 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.981 13.468 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.236 14.024 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.289 16.399 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.944 15.691 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.429 15.947 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.457 14.300 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.761 14.987 3.720 1.00 0.00 H new ATOM 765 N GLY A 138 9.742 12.294 -3.057 1.00 0.00 N ATOM 766 CA GLY A 138 10.614 11.201 -3.568 1.00 0.00 C ATOM 767 C GLY A 138 11.979 11.778 -3.959 1.00 0.00 C ATOM 768 O GLY A 138 13.006 11.166 -3.743 1.00 0.00 O ATOM 0 H GLY A 138 8.865 12.421 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.737 10.432 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.149 10.723 -4.430 1.00 0.00 H new ATOM 772 N ASP A 139 11.996 12.956 -4.525 1.00 0.00 N ATOM 773 CA ASP A 139 13.294 13.574 -4.920 1.00 0.00 C ATOM 774 C ASP A 139 13.982 14.131 -3.674 1.00 0.00 C ATOM 775 O ASP A 139 15.155 14.448 -3.685 1.00 0.00 O ATOM 776 CB ASP A 139 13.034 14.715 -5.910 1.00 0.00 C ATOM 777 CG ASP A 139 12.197 15.812 -5.241 1.00 0.00 C ATOM 778 OD1 ASP A 139 12.219 15.895 -4.026 1.00 0.00 O ATOM 779 OD2 ASP A 139 11.545 16.551 -5.962 1.00 0.00 O ATOM 0 H ASP A 139 11.168 13.515 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 139 13.931 12.824 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 139 13.981 15.129 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 139 12.513 14.333 -6.788 1.00 0.00 H new ATOM 784 N SER A 140 13.249 14.256 -2.602 1.00 0.00 N ATOM 785 CA SER A 140 13.834 14.802 -1.348 1.00 0.00 C ATOM 786 C SER A 140 14.034 13.667 -0.344 1.00 0.00 C ATOM 787 O SER A 140 13.170 12.833 -0.157 1.00 0.00 O ATOM 788 CB SER A 140 12.870 15.835 -0.762 1.00 0.00 C ATOM 789 OG SER A 140 13.603 16.799 -0.015 1.00 0.00 O ATOM 0 H SER A 140 12.263 14.001 -2.542 1.00 0.00 H new ATOM 0 HA SER A 140 14.795 15.270 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.315 16.325 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.138 15.343 -0.121 1.00 0.00 H new ATOM 0 HG SER A 140 12.985 17.462 0.359 1.00 0.00 H new ATOM 795 N ASN A 141 15.159 13.632 0.314 1.00 0.00 N ATOM 796 CA ASN A 141 15.392 12.556 1.316 1.00 0.00 C ATOM 797 C ASN A 141 14.215 12.536 2.294 1.00 0.00 C ATOM 798 O ASN A 141 13.888 11.521 2.875 1.00 0.00 O ATOM 799 CB ASN A 141 16.688 12.837 2.080 1.00 0.00 C ATOM 800 CG ASN A 141 17.890 12.482 1.201 1.00 0.00 C ATOM 801 OD1 ASN A 141 17.822 11.573 0.397 1.00 0.00 O ATOM 802 ND2 ASN A 141 18.997 13.163 1.322 1.00 0.00 N ATOM 0 H ASN A 141 15.923 14.298 0.202 1.00 0.00 H new ATOM 0 HA ASN A 141 15.477 11.592 0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 141 16.732 13.888 2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 141 16.713 12.254 3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 141 19.804 12.932 0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 141 19.055 13.926 1.996 1.00 0.00 H new ATOM 809 N SER A 142 13.581 13.664 2.473 1.00 0.00 N ATOM 810 CA SER A 142 12.418 13.753 3.407 1.00 0.00 C ATOM 811 C SER A 142 11.514 12.522 3.263 1.00 0.00 C ATOM 812 O SER A 142 10.737 12.206 4.142 1.00 0.00 O ATOM 813 CB SER A 142 11.612 15.006 3.060 1.00 0.00 C ATOM 814 OG SER A 142 12.384 16.166 3.349 1.00 0.00 O ATOM 0 H SER A 142 13.822 14.539 2.007 1.00 0.00 H new ATOM 0 HA SER A 142 12.784 13.800 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 142 11.337 14.993 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 142 10.684 15.023 3.631 1.00 0.00 H new ATOM 0 HG SER A 142 11.867 16.968 3.124 1.00 0.00 H new ATOM 820 N SER A 143 11.591 11.843 2.151 1.00 0.00 N ATOM 821 CA SER A 143 10.719 10.649 1.933 1.00 0.00 C ATOM 822 C SER A 143 11.032 9.530 2.937 1.00 0.00 C ATOM 823 O SER A 143 10.169 8.751 3.293 1.00 0.00 O ATOM 824 CB SER A 143 10.936 10.126 0.511 1.00 0.00 C ATOM 825 OG SER A 143 10.238 8.899 0.356 1.00 0.00 O ATOM 0 H SER A 143 12.222 12.063 1.380 1.00 0.00 H new ATOM 0 HA SER A 143 9.682 10.952 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 143 10.580 10.856 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.000 9.980 0.322 1.00 0.00 H new ATOM 0 HG SER A 143 9.554 8.997 -0.339 1.00 0.00 H new ATOM 831 N ALA A 144 12.251 9.418 3.387 1.00 0.00 N ATOM 832 CA ALA A 144 12.588 8.323 4.349 1.00 0.00 C ATOM 833 C ALA A 144 11.747 8.459 5.625 1.00 0.00 C ATOM 834 O ALA A 144 11.849 7.657 6.532 1.00 0.00 O ATOM 835 CB ALA A 144 14.075 8.395 4.706 1.00 0.00 C ATOM 0 H ALA A 144 13.026 10.031 3.134 1.00 0.00 H new ATOM 0 HA ALA A 144 12.369 7.363 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.320 7.597 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.672 8.280 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 144 14.293 9.360 5.164 1.00 0.00 H new ATOM 841 N GLY A 145 10.926 9.470 5.710 1.00 0.00 N ATOM 842 CA GLY A 145 10.097 9.656 6.938 1.00 0.00 C ATOM 843 C GLY A 145 8.784 8.865 6.837 1.00 0.00 C ATOM 844 O GLY A 145 8.590 7.880 7.523 1.00 0.00 O ATOM 0 H GLY A 145 10.793 10.175 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.658 9.328 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 145 9.879 10.715 7.078 1.00 0.00 H new ATOM 848 N TRP A 146 7.872 9.304 6.012 1.00 0.00 N ATOM 849 CA TRP A 146 6.563 8.595 5.899 1.00 0.00 C ATOM 850 C TRP A 146 6.773 7.091 5.700 1.00 0.00 C ATOM 851 O TRP A 146 5.875 6.305 5.920 1.00 0.00 O ATOM 852 CB TRP A 146 5.739 9.181 4.743 1.00 0.00 C ATOM 853 CG TRP A 146 6.434 8.992 3.429 1.00 0.00 C ATOM 854 CD1 TRP A 146 7.661 9.473 3.108 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.946 8.301 2.240 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.953 9.118 1.802 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.928 8.393 1.226 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.759 7.606 1.952 1.00 0.00 C ATOM 859 CZ2 TRP A 146 6.734 7.819 -0.033 1.00 0.00 C ATOM 860 CZ3 TRP A 146 4.562 7.027 0.689 1.00 0.00 C ATOM 861 CH2 TRP A 146 5.546 7.133 -0.302 1.00 0.00 C ATOM 0 H TRP A 146 7.976 10.122 5.412 1.00 0.00 H new ATOM 0 HA TRP A 146 6.013 8.740 6.829 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.760 8.702 4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.568 10.243 4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 146 8.305 10.040 3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 146 8.820 9.362 1.323 1.00 0.00 H new ATOM 0 HE3 TRP A 146 3.993 7.517 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 7.497 7.905 -0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 3.645 6.496 0.480 1.00 0.00 H new ATOM 0 HH2 TRP A 146 5.387 6.686 -1.272 1.00 0.00 H new ATOM 872 N LYS A 147 7.947 6.672 5.317 1.00 0.00 N ATOM 873 CA LYS A 147 8.179 5.207 5.145 1.00 0.00 C ATOM 874 C LYS A 147 7.932 4.520 6.488 1.00 0.00 C ATOM 875 O LYS A 147 7.279 3.499 6.569 1.00 0.00 O ATOM 876 CB LYS A 147 9.628 4.970 4.707 1.00 0.00 C ATOM 877 CG LYS A 147 9.831 3.500 4.321 1.00 0.00 C ATOM 878 CD LYS A 147 11.286 3.284 3.888 1.00 0.00 C ATOM 879 CE LYS A 147 11.391 1.998 3.062 1.00 0.00 C ATOM 880 NZ LYS A 147 10.672 2.184 1.770 1.00 0.00 N ATOM 0 H LYS A 147 8.748 7.271 5.117 1.00 0.00 H new ATOM 0 HA LYS A 147 7.507 4.804 4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.869 5.613 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.308 5.239 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 147 9.592 2.854 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.155 3.228 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.631 4.135 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.931 3.219 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.437 1.755 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.962 1.162 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.101 1.576 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 9.671 1.928 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 10.742 3.179 1.474 1.00 0.00 H new ATOM 894 N ASN A 148 8.438 5.088 7.548 1.00 0.00 N ATOM 895 CA ASN A 148 8.224 4.488 8.893 1.00 0.00 C ATOM 896 C ASN A 148 6.726 4.430 9.189 1.00 0.00 C ATOM 897 O ASN A 148 6.243 3.523 9.839 1.00 0.00 O ATOM 898 CB ASN A 148 8.922 5.349 9.953 1.00 0.00 C ATOM 899 CG ASN A 148 10.439 5.213 9.819 1.00 0.00 C ATOM 900 OD1 ASN A 148 10.935 4.311 9.020 1.00 0.00 O flip ATOM 901 ND2 ASN A 148 11.184 5.936 10.450 1.00 0.00 N flip ATOM 0 H ASN A 148 8.992 5.944 7.539 1.00 0.00 H new ATOM 0 HA ASN A 148 8.639 3.480 8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 148 8.630 6.393 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 148 8.607 5.040 10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 148 10.799 6.643 11.076 1.00 0.00 H new ATOM 0 HD22 ASN A 148 12.194 5.836 10.353 1.00 0.00 H new ATOM 908 N SER A 149 5.986 5.402 8.728 1.00 0.00 N ATOM 909 CA SER A 149 4.520 5.419 8.983 1.00 0.00 C ATOM 910 C SER A 149 3.850 4.177 8.376 1.00 0.00 C ATOM 911 O SER A 149 3.250 3.379 9.067 1.00 0.00 O ATOM 912 CB SER A 149 3.916 6.677 8.360 1.00 0.00 C ATOM 913 OG SER A 149 3.731 6.472 6.966 1.00 0.00 O ATOM 0 H SER A 149 6.338 6.189 8.183 1.00 0.00 H new ATOM 0 HA SER A 149 4.350 5.415 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 149 2.962 6.909 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.572 7.531 8.529 1.00 0.00 H new ATOM 0 HG SER A 149 4.533 6.762 6.483 1.00 0.00 H new ATOM 919 N ILE A 150 3.927 4.013 7.084 1.00 0.00 N ATOM 920 CA ILE A 150 3.266 2.836 6.453 1.00 0.00 C ATOM 921 C ILE A 150 3.840 1.538 7.018 1.00 0.00 C ATOM 922 O ILE A 150 3.126 0.580 7.240 1.00 0.00 O ATOM 923 CB ILE A 150 3.493 2.858 4.942 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.090 4.221 4.381 1.00 0.00 C ATOM 925 CG2 ILE A 150 2.639 1.766 4.291 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.282 4.222 2.862 1.00 0.00 C ATOM 0 H ILE A 150 4.415 4.638 6.442 1.00 0.00 H new ATOM 0 HA ILE A 150 2.199 2.886 6.669 1.00 0.00 H new ATOM 0 HB ILE A 150 4.547 2.679 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.050 4.435 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.693 5.007 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.796 1.776 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 150 2.926 0.793 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.587 1.951 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.995 5.194 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.328 4.027 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.659 3.446 2.416 1.00 0.00 H new ATOM 938 N ARG A 151 5.124 1.481 7.232 1.00 0.00 N ATOM 939 CA ARG A 151 5.723 0.225 7.758 1.00 0.00 C ATOM 940 C ARG A 151 5.068 -0.177 9.088 1.00 0.00 C ATOM 941 O ARG A 151 4.831 -1.342 9.335 1.00 0.00 O ATOM 942 CB ARG A 151 7.227 0.407 7.962 1.00 0.00 C ATOM 943 CG ARG A 151 7.848 -0.951 8.295 1.00 0.00 C ATOM 944 CD ARG A 151 9.362 -0.801 8.470 1.00 0.00 C ATOM 945 NE ARG A 151 10.021 -2.149 8.403 1.00 0.00 N ATOM 946 CZ ARG A 151 9.558 -3.172 9.080 1.00 0.00 C ATOM 947 NH1 ARG A 151 8.563 -3.023 9.908 1.00 0.00 N ATOM 948 NH2 ARG A 151 10.118 -4.346 8.949 1.00 0.00 N ATOM 0 H ARG A 151 5.780 2.244 7.067 1.00 0.00 H new ATOM 0 HA ARG A 151 5.548 -0.567 7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.683 0.820 7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.415 1.116 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.405 -1.350 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.634 -1.664 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.764 -0.151 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.581 -0.327 9.427 1.00 0.00 H new ATOM 0 HE ARG A 151 10.847 -2.271 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 151 8.137 -2.105 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 151 8.210 -3.825 10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.913 -4.465 8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.760 -5.143 9.475 1.00 0.00 H new ATOM 962 N HIS A 152 4.789 0.763 9.958 1.00 0.00 N ATOM 963 CA HIS A 152 4.172 0.390 11.269 1.00 0.00 C ATOM 964 C HIS A 152 2.758 -0.161 11.061 1.00 0.00 C ATOM 965 O HIS A 152 2.294 -0.990 11.818 1.00 0.00 O ATOM 966 CB HIS A 152 4.132 1.604 12.209 1.00 0.00 C ATOM 967 CG HIS A 152 2.999 2.530 11.846 1.00 0.00 C ATOM 968 ND1 HIS A 152 3.223 3.777 11.291 1.00 0.00 N ATOM 969 CD2 HIS A 152 1.634 2.420 11.981 1.00 0.00 C ATOM 970 CE1 HIS A 152 2.027 4.369 11.113 1.00 0.00 C ATOM 971 NE2 HIS A 152 1.029 3.584 11.519 1.00 0.00 N ATOM 0 H HIS A 152 4.959 1.759 9.820 1.00 0.00 H new ATOM 0 HA HIS A 152 4.785 -0.387 11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.016 1.267 13.239 1.00 0.00 H new ATOM 0 HB3 HIS A 152 5.078 2.142 12.154 1.00 0.00 H new ATOM 0 HD2 HIS A 152 1.114 1.563 12.383 1.00 0.00 H new ATOM 0 HE1 HIS A 152 1.893 5.355 10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 152 0.031 3.793 11.496 1.00 0.00 H new ATOM 980 N ASN A 153 2.061 0.288 10.054 1.00 0.00 N ATOM 981 CA ASN A 153 0.680 -0.226 9.837 1.00 0.00 C ATOM 982 C ASN A 153 0.723 -1.703 9.434 1.00 0.00 C ATOM 983 O ASN A 153 -0.072 -2.498 9.892 1.00 0.00 O ATOM 984 CB ASN A 153 0.009 0.586 8.730 1.00 0.00 C ATOM 985 CG ASN A 153 -0.061 2.052 9.148 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.528 2.368 10.224 1.00 0.00 O ATOM 987 ND2 ASN A 153 0.384 2.968 8.335 1.00 0.00 N ATOM 0 H ASN A 153 2.383 0.981 9.379 1.00 0.00 H new ATOM 0 HA ASN A 153 0.113 -0.129 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.570 0.488 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.993 0.203 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.340 3.952 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 153 0.776 2.701 7.432 1.00 0.00 H new ATOM 994 N LEU A 154 1.635 -2.080 8.582 1.00 0.00 N ATOM 995 CA LEU A 154 1.708 -3.509 8.162 1.00 0.00 C ATOM 996 C LEU A 154 1.983 -4.404 9.372 1.00 0.00 C ATOM 997 O LEU A 154 1.474 -5.505 9.464 1.00 0.00 O ATOM 998 CB LEU A 154 2.805 -3.683 7.110 1.00 0.00 C ATOM 999 CG LEU A 154 2.391 -2.947 5.829 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.562 -2.935 4.847 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.191 -3.658 5.183 1.00 0.00 C ATOM 0 H LEU A 154 2.330 -1.465 8.160 1.00 0.00 H new ATOM 0 HA LEU A 154 0.752 -3.802 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.750 -3.287 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.962 -4.741 6.902 1.00 0.00 H new ATOM 0 HG LEU A 154 2.111 -1.924 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.268 -2.412 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.412 -2.425 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.842 -3.960 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.902 -3.131 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.466 -4.683 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.353 -3.665 5.881 1.00 0.00 H new ATOM 1013 N SER A 155 2.776 -3.950 10.304 1.00 0.00 N ATOM 1014 CA SER A 155 3.061 -4.796 11.498 1.00 0.00 C ATOM 1015 C SER A 155 1.853 -4.737 12.435 1.00 0.00 C ATOM 1016 O SER A 155 1.332 -5.749 12.865 1.00 0.00 O ATOM 1017 CB SER A 155 4.295 -4.265 12.226 1.00 0.00 C ATOM 1018 OG SER A 155 3.924 -3.145 13.018 1.00 0.00 O ATOM 0 H SER A 155 3.235 -3.039 10.292 1.00 0.00 H new ATOM 0 HA SER A 155 3.248 -5.824 11.188 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.724 -5.045 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 155 5.062 -3.979 11.506 1.00 0.00 H new ATOM 0 HG SER A 155 4.712 -2.802 13.488 1.00 0.00 H new ATOM 1024 N LEU A 156 1.392 -3.553 12.738 1.00 0.00 N ATOM 1025 CA LEU A 156 0.206 -3.416 13.628 1.00 0.00 C ATOM 1026 C LEU A 156 -1.049 -3.734 12.809 1.00 0.00 C ATOM 1027 O LEU A 156 -1.006 -3.765 11.597 1.00 0.00 O ATOM 1028 CB LEU A 156 0.140 -1.984 14.174 1.00 0.00 C ATOM 1029 CG LEU A 156 1.408 -1.693 14.990 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.479 -0.198 15.330 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.388 -2.515 16.286 1.00 0.00 C ATOM 0 H LEU A 156 1.788 -2.673 12.406 1.00 0.00 H new ATOM 0 HA LEU A 156 0.277 -4.104 14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.051 -1.273 13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.745 -1.861 14.799 1.00 0.00 H new ATOM 0 HG LEU A 156 2.282 -1.968 14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.381 0.001 15.909 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.503 0.384 14.409 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.603 0.084 15.914 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.289 -2.307 16.863 1.00 0.00 H new ATOM 0 HD22 LEU A 156 0.510 -2.246 16.874 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.351 -3.577 16.043 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.158 -3.993 13.455 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.407 -4.327 12.702 1.00 0.00 C ATOM 1045 C HIS A 157 -3.211 -5.654 11.962 1.00 0.00 C ATOM 1046 O HIS A 157 -2.490 -5.734 10.987 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.738 -3.212 11.697 1.00 0.00 C ATOM 1048 CG HIS A 157 -4.505 -2.118 12.385 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -5.887 -2.023 12.307 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -4.099 -1.055 13.156 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -6.260 -0.939 13.011 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -5.210 -0.315 13.546 1.00 0.00 N ATOM 0 H HIS A 157 -2.253 -3.988 14.471 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.236 -4.418 13.404 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -2.819 -2.811 11.269 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.324 -3.616 10.872 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -3.076 -0.829 13.418 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -7.283 -0.614 13.128 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -5.220 0.528 14.120 1.00 0.00 H new ATOM 1061 N SER A 158 -3.835 -6.698 12.437 1.00 0.00 N ATOM 1062 CA SER A 158 -3.680 -8.035 11.791 1.00 0.00 C ATOM 1063 C SER A 158 -4.374 -8.068 10.426 1.00 0.00 C ATOM 1064 O SER A 158 -4.334 -9.067 9.733 1.00 0.00 O ATOM 1065 CB SER A 158 -4.303 -9.104 12.691 1.00 0.00 C ATOM 1066 OG SER A 158 -3.658 -9.090 13.958 1.00 0.00 O ATOM 0 H SER A 158 -4.450 -6.683 13.251 1.00 0.00 H new ATOM 0 HA SER A 158 -2.617 -8.228 11.648 1.00 0.00 H new ATOM 0 HB2 SER A 158 -5.370 -8.916 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.202 -10.087 12.230 1.00 0.00 H new ATOM 0 HG SER A 158 -4.057 -9.773 14.536 1.00 0.00 H new ATOM 1072 N LYS A 159 -5.011 -7.003 10.027 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.698 -7.014 8.705 1.00 0.00 C ATOM 1074 C LYS A 159 -4.730 -7.513 7.629 1.00 0.00 C ATOM 1075 O LYS A 159 -5.123 -8.176 6.691 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.177 -5.602 8.351 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.222 -5.141 9.375 1.00 0.00 C ATOM 1078 CD LYS A 159 -8.061 -3.995 8.796 1.00 0.00 C ATOM 1079 CE LYS A 159 -7.148 -2.942 8.163 1.00 0.00 C ATOM 1080 NZ LYS A 159 -7.936 -1.705 7.897 1.00 0.00 N ATOM 0 H LYS A 159 -5.086 -6.132 10.553 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.560 -7.679 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -5.333 -4.912 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -6.606 -5.593 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -7.870 -5.975 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -6.726 -4.813 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -8.754 -4.383 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -8.662 -3.540 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.314 -2.720 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.723 -3.323 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.319 -0.986 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -8.718 -1.924 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -8.321 -1.340 8.791 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.467 -7.200 7.754 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.477 -7.657 6.735 1.00 0.00 C ATOM 1096 C PHE A 160 -1.820 -8.962 7.200 1.00 0.00 C ATOM 1097 O PHE A 160 -1.377 -9.076 8.327 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.403 -6.583 6.554 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.055 -5.229 6.406 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.712 -4.894 5.217 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -1.998 -4.304 7.457 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.314 -3.637 5.078 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.600 -3.048 7.318 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.258 -2.713 6.128 1.00 0.00 C ATOM 0 H PHE A 160 -3.078 -6.647 8.518 1.00 0.00 H new ATOM 0 HA PHE A 160 -2.987 -7.829 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -0.729 -6.581 7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.799 -6.804 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.755 -5.605 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.489 -4.560 8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.822 -3.380 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.557 -2.336 8.129 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.721 -1.743 6.021 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.753 -9.946 6.337 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.130 -11.254 6.712 1.00 0.00 C ATOM 1116 C ILE A 161 0.202 -11.412 5.959 1.00 0.00 C ATOM 1117 O ILE A 161 0.339 -10.973 4.835 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.108 -12.379 6.352 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.158 -12.572 4.830 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.510 -11.990 6.847 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.184 -13.659 4.468 1.00 0.00 C ATOM 0 H ILE A 161 -2.106 -9.899 5.381 1.00 0.00 H new ATOM 0 HA ILE A 161 -0.924 -11.295 7.781 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.777 -13.306 6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.425 -11.633 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.172 -12.853 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.217 -12.782 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.488 -11.850 7.928 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -3.821 -11.062 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.211 -13.788 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -2.898 -14.600 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.171 -13.361 4.823 1.00 0.00 H new ATOM 1133 N LYS A 162 1.196 -12.004 6.579 1.00 0.00 N ATOM 1134 CA LYS A 162 2.526 -12.150 5.906 1.00 0.00 C ATOM 1135 C LYS A 162 2.571 -13.412 5.034 1.00 0.00 C ATOM 1136 O LYS A 162 2.005 -14.437 5.362 1.00 0.00 O ATOM 1137 CB LYS A 162 3.627 -12.225 6.968 1.00 0.00 C ATOM 1138 CG LYS A 162 5.003 -12.085 6.303 1.00 0.00 C ATOM 1139 CD LYS A 162 5.180 -10.665 5.738 1.00 0.00 C ATOM 1140 CE LYS A 162 6.668 -10.295 5.737 1.00 0.00 C ATOM 1141 NZ LYS A 162 6.847 -8.949 5.123 1.00 0.00 N ATOM 0 H LYS A 162 1.143 -12.392 7.521 1.00 0.00 H new ATOM 0 HA LYS A 162 2.682 -11.284 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.488 -11.435 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.566 -13.173 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.788 -12.296 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 162 5.104 -12.818 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.781 -10.613 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.617 -9.951 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 162 7.054 -10.295 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 162 7.238 -11.039 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.420 -9.035 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 5.917 -8.550 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.330 -8.321 5.797 1.00 0.00 H new ATOM 1155 N VAL A 163 3.259 -13.334 3.923 1.00 0.00 N ATOM 1156 CA VAL A 163 3.380 -14.506 3.002 1.00 0.00 C ATOM 1157 C VAL A 163 4.855 -14.903 2.889 1.00 0.00 C ATOM 1158 O VAL A 163 5.703 -14.076 2.618 1.00 0.00 O ATOM 1159 CB VAL A 163 2.879 -14.094 1.622 1.00 0.00 C ATOM 1160 CG1 VAL A 163 3.019 -15.256 0.636 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.412 -13.670 1.710 1.00 0.00 C ATOM 0 H VAL A 163 3.749 -12.496 3.610 1.00 0.00 H new ATOM 0 HA VAL A 163 2.797 -15.344 3.384 1.00 0.00 H new ATOM 0 HB VAL A 163 3.479 -13.256 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.657 -14.947 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.067 -15.546 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 163 2.432 -16.105 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.058 -13.376 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.814 -14.504 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.317 -12.827 2.394 1.00 0.00 H new ATOM 1171 N HIS A 164 5.175 -16.153 3.083 1.00 0.00 N ATOM 1172 CA HIS A 164 6.604 -16.565 2.974 1.00 0.00 C ATOM 1173 C HIS A 164 7.021 -16.601 1.504 1.00 0.00 C ATOM 1174 O HIS A 164 6.619 -17.468 0.753 1.00 0.00 O ATOM 1175 CB HIS A 164 6.796 -17.958 3.585 1.00 0.00 C ATOM 1176 CG HIS A 164 8.144 -18.505 3.183 1.00 0.00 C ATOM 1177 ND1 HIS A 164 8.277 -19.578 2.314 1.00 0.00 N ATOM 1178 CD2 HIS A 164 9.425 -18.139 3.522 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.595 -19.818 2.163 1.00 0.00 C ATOM 1180 NE2 HIS A 164 10.332 -18.968 2.878 1.00 0.00 N ATOM 0 H HIS A 164 4.518 -16.900 3.310 1.00 0.00 H new ATOM 0 HA HIS A 164 7.220 -15.844 3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.724 -17.903 4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 164 6.005 -18.627 3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 164 9.686 -17.330 4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 164 10.003 -20.601 1.541 1.00 0.00 H new ATOM 0 HE2 HIS A 164 11.350 -18.934 2.939 1.00 0.00 H new ATOM 1189 N ASN A 165 7.842 -15.676 1.094 1.00 0.00 N ATOM 1190 CA ASN A 165 8.308 -15.670 -0.316 1.00 0.00 C ATOM 1191 C ASN A 165 9.231 -16.871 -0.530 1.00 0.00 C ATOM 1192 O ASN A 165 10.335 -16.913 -0.024 1.00 0.00 O ATOM 1193 CB ASN A 165 9.065 -14.372 -0.592 1.00 0.00 C ATOM 1194 CG ASN A 165 9.613 -14.394 -2.015 1.00 0.00 C ATOM 1195 OD1 ASN A 165 10.809 -14.423 -2.212 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.784 -14.377 -3.023 1.00 0.00 N ATOM 0 H ASN A 165 8.210 -14.924 1.676 1.00 0.00 H new ATOM 0 HA ASN A 165 7.459 -15.735 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 165 8.402 -13.517 -0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 165 9.881 -14.256 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 165 9.142 -14.388 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 165 7.778 -14.353 -2.856 1.00 0.00 H new ATOM 1203 N GLU A 166 8.787 -17.853 -1.264 1.00 0.00 N ATOM 1204 CA GLU A 166 9.642 -19.050 -1.490 1.00 0.00 C ATOM 1205 C GLU A 166 10.832 -18.674 -2.372 1.00 0.00 C ATOM 1206 O GLU A 166 11.873 -19.298 -2.322 1.00 0.00 O ATOM 1207 CB GLU A 166 8.831 -20.142 -2.188 1.00 0.00 C ATOM 1208 CG GLU A 166 7.762 -20.674 -1.237 1.00 0.00 C ATOM 1209 CD GLU A 166 7.083 -21.891 -1.867 1.00 0.00 C ATOM 1210 OE1 GLU A 166 7.500 -22.286 -2.943 1.00 0.00 O ATOM 1211 OE2 GLU A 166 6.158 -22.408 -1.264 1.00 0.00 O ATOM 0 H GLU A 166 7.873 -17.878 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 166 9.998 -19.417 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.365 -19.743 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.489 -20.953 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.212 -20.948 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.024 -19.898 -1.031 1.00 0.00 H new ATOM 1218 N ALA A 167 10.691 -17.663 -3.185 1.00 0.00 N ATOM 1219 CA ALA A 167 11.821 -17.268 -4.071 1.00 0.00 C ATOM 1220 C ALA A 167 13.047 -16.962 -3.219 1.00 0.00 C ATOM 1221 O ALA A 167 14.107 -16.649 -3.721 1.00 0.00 O ATOM 1222 CB ALA A 167 11.435 -16.035 -4.893 1.00 0.00 C ATOM 0 H ALA A 167 9.847 -17.097 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 167 12.049 -18.087 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.267 -15.753 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.563 -16.264 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 167 11.200 -15.209 -4.222 1.00 0.00 H new ATOM 1271 N SER A 171 10.877 -9.415 -2.210 1.00 0.00 N ATOM 1272 CA SER A 171 10.084 -8.805 -1.103 1.00 0.00 C ATOM 1273 C SER A 171 8.940 -9.748 -0.707 1.00 0.00 C ATOM 1274 O SER A 171 8.366 -10.426 -1.536 1.00 0.00 O ATOM 1275 CB SER A 171 9.515 -7.461 -1.555 1.00 0.00 C ATOM 1276 OG SER A 171 10.558 -6.494 -1.568 1.00 0.00 O ATOM 0 HA SER A 171 10.732 -8.646 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.076 -7.554 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 171 8.718 -7.145 -0.882 1.00 0.00 H new ATOM 0 HG SER A 171 10.199 -5.630 -1.859 1.00 0.00 H new ATOM 1282 N SER A 172 8.609 -9.800 0.558 1.00 0.00 N ATOM 1283 CA SER A 172 7.513 -10.706 1.009 1.00 0.00 C ATOM 1284 C SER A 172 6.197 -10.304 0.343 1.00 0.00 C ATOM 1285 O SER A 172 5.974 -9.156 0.014 1.00 0.00 O ATOM 1286 CB SER A 172 7.349 -10.596 2.521 1.00 0.00 C ATOM 1287 OG SER A 172 8.595 -10.861 3.152 1.00 0.00 O ATOM 0 H SER A 172 9.051 -9.254 1.297 1.00 0.00 H new ATOM 0 HA SER A 172 7.767 -11.730 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 172 6.998 -9.599 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.595 -11.303 2.868 1.00 0.00 H new ATOM 0 HG SER A 172 8.863 -10.084 3.685 1.00 0.00 H new ATOM 1293 N TRP A 173 5.315 -11.245 0.156 1.00 0.00 N ATOM 1294 CA TRP A 173 4.007 -10.931 -0.471 1.00 0.00 C ATOM 1295 C TRP A 173 3.011 -10.543 0.626 1.00 0.00 C ATOM 1296 O TRP A 173 2.850 -11.235 1.611 1.00 0.00 O ATOM 1297 CB TRP A 173 3.513 -12.160 -1.236 1.00 0.00 C ATOM 1298 CG TRP A 173 4.405 -12.389 -2.403 1.00 0.00 C ATOM 1299 CD1 TRP A 173 5.489 -13.199 -2.421 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.305 -11.808 -3.722 1.00 0.00 C ATOM 1301 NE1 TRP A 173 6.061 -13.147 -3.679 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.362 -12.299 -4.520 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.400 -10.906 -4.290 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.512 -11.905 -5.849 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 3.542 -10.503 -5.628 1.00 0.00 C ATOM 1306 CH2 TRP A 173 4.596 -11.002 -6.405 1.00 0.00 C ATOM 0 H TRP A 173 5.447 -12.223 0.413 1.00 0.00 H new ATOM 0 HA TRP A 173 4.107 -10.099 -1.168 1.00 0.00 H new ATOM 0 HB2 TRP A 173 3.511 -13.034 -0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.486 -12.009 -1.570 1.00 0.00 H new ATOM 0 HD1 TRP A 173 5.848 -13.789 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.894 -13.668 -3.953 1.00 0.00 H new ATOM 0 HE3 TRP A 173 2.586 -10.517 -3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.326 -12.292 -6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 2.837 -9.807 -6.059 1.00 0.00 H new ATOM 0 HH2 TRP A 173 4.702 -10.690 -7.434 1.00 0.00 H new ATOM 1317 N TRP A 174 2.354 -9.427 0.470 1.00 0.00 N ATOM 1318 CA TRP A 174 1.377 -8.976 1.504 1.00 0.00 C ATOM 1319 C TRP A 174 -0.053 -9.227 1.014 1.00 0.00 C ATOM 1320 O TRP A 174 -0.377 -9.004 -0.142 1.00 0.00 O ATOM 1321 CB TRP A 174 1.580 -7.481 1.759 1.00 0.00 C ATOM 1322 CG TRP A 174 2.798 -7.267 2.610 1.00 0.00 C ATOM 1323 CD1 TRP A 174 4.031 -6.956 2.147 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.914 -7.332 4.062 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.892 -6.820 3.222 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.250 -7.043 4.425 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.996 -7.609 5.088 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.662 -7.028 5.763 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.404 -7.596 6.433 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.734 -7.306 6.771 1.00 0.00 C ATOM 0 H TRP A 174 2.451 -8.805 -0.332 1.00 0.00 H new ATOM 0 HA TRP A 174 1.536 -9.534 2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.691 -6.954 0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.702 -7.066 2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.299 -6.834 1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.881 -6.584 3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.969 -7.834 4.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.688 -6.804 6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.688 -7.811 7.212 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.040 -7.297 7.807 1.00 0.00 H new ATOM 1341 N MET A 175 -0.909 -9.688 1.895 1.00 0.00 N ATOM 1342 CA MET A 175 -2.329 -9.962 1.515 1.00 0.00 C ATOM 1343 C MET A 175 -3.271 -9.522 2.644 1.00 0.00 C ATOM 1344 O MET A 175 -2.882 -9.414 3.790 1.00 0.00 O ATOM 1345 CB MET A 175 -2.527 -11.464 1.292 1.00 0.00 C ATOM 1346 CG MET A 175 -1.857 -11.895 -0.011 1.00 0.00 C ATOM 1347 SD MET A 175 -2.626 -13.429 -0.592 1.00 0.00 S ATOM 1348 CE MET A 175 -2.219 -14.469 0.838 1.00 0.00 C ATOM 0 H MET A 175 -0.681 -9.887 2.869 1.00 0.00 H new ATOM 0 HA MET A 175 -2.552 -9.410 0.602 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.106 -12.022 2.128 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.591 -11.697 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 175 -1.961 -11.114 -0.764 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.789 -12.046 0.147 1.00 0.00 H new ATOM 0 HE1 MET A 175 -1.830 -15.427 0.492 1.00 0.00 H new ATOM 0 HE2 MET A 175 -1.466 -13.970 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.116 -14.635 1.434 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.515 -9.292 2.326 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.501 -8.891 3.370 1.00 0.00 C ATOM 1360 C LEU A 176 -6.009 -10.150 4.080 1.00 0.00 C ATOM 1361 O LEU A 176 -5.998 -11.228 3.520 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.667 -8.165 2.698 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.127 -6.996 1.869 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.291 -6.249 1.205 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.352 -6.038 2.780 1.00 0.00 C ATOM 0 H LEU A 176 -4.894 -9.365 1.382 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.035 -8.228 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.219 -8.854 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.365 -7.800 3.451 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.461 -7.379 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -6.902 -5.418 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -7.837 -6.931 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.963 -5.866 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.968 -5.206 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.016 -5.657 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.520 -6.569 3.243 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.457 -10.034 5.303 1.00 0.00 N ATOM 1378 CA ASN A 177 -6.956 -11.243 6.020 1.00 0.00 C ATOM 1379 C ASN A 177 -8.265 -11.711 5.369 1.00 0.00 C ATOM 1380 O ASN A 177 -9.151 -10.921 5.116 1.00 0.00 O ATOM 1381 CB ASN A 177 -7.209 -10.913 7.494 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.461 -12.213 8.260 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -8.516 -12.803 8.144 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -6.527 -12.692 9.036 1.00 0.00 N ATOM 0 H ASN A 177 -6.499 -9.163 5.832 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.207 -12.033 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -6.351 -10.388 7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.067 -10.248 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -6.683 -13.562 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -5.641 -12.196 9.133 1.00 0.00 H new