USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=22 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 100 GLN : amide:sc= -0.471 K(o=-0.89,f=0.48) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.422 K(o=-0.89,f=0.48!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.083 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 112 SER OG : rot 85:sc= 0.726 USER MOD Single : A 116 LYS NZ :NH3+ -158:sc= 0.346 (180deg=0.0333) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.28) USER MOD Single : A 124 TYR OH : rot 165:sc= -1.01 USER MOD Single : A 127 MET CE :methyl -154:sc= 0 (180deg=-0.141) USER MOD Single : A 130 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.1) USER MOD Single : A 137 LYS NZ :NH3+ -172:sc= 0.38 (180deg=0.356) USER MOD Single : A 140 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 141 ASN : amide:sc= -0.309 X(o=-0.31,f=0.0019) USER MOD Single : A 142 SER OG : rot -47:sc= -0.536 USER MOD Single : A 143 SER OG : rot 163:sc= 0.455 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.9!) USER MOD Single : A 149 SER OG : rot 180:sc= -1.01! USER MOD Single : A 152 HIS : no HD1:sc= -2.94 X(o=-2.9,f=-3.2!) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.6) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 152:sc= -0.162 (180deg=-0.963) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.71) USER MOD Single : A 165 ASN : amide:sc= -4.43! C(o=-4.4!,f=-18!) USER MOD Single : A 171 SER OG : rot 38:sc= 0.126 USER MOD Single : A 172 SER OG : rot -130:sc= -0.0676 USER MOD Single : A 175 MET CE :methyl -132:sc= -0.611 (180deg=-4.07!) USER MOD Single : A 177 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.845 10.186 4.760 1.00 0.00 N ATOM 130 CA GLN A 100 -8.495 8.736 4.795 1.00 0.00 C ATOM 131 C GLN A 100 -7.217 8.522 5.612 1.00 0.00 C ATOM 132 O GLN A 100 -6.386 9.403 5.732 1.00 0.00 O ATOM 133 CB GLN A 100 -8.258 8.237 3.368 1.00 0.00 C ATOM 134 CG GLN A 100 -9.557 8.326 2.565 1.00 0.00 C ATOM 135 CD GLN A 100 -9.378 7.610 1.224 1.00 0.00 C ATOM 136 OE1 GLN A 100 -9.306 6.399 1.174 1.00 0.00 O ATOM 137 NE2 GLN A 100 -9.299 8.313 0.127 1.00 0.00 N ATOM 0 HA GLN A 100 -9.316 8.186 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.482 8.834 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.902 7.207 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.375 7.873 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.824 9.370 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.359 9.330 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.177 7.845 -0.771 1.00 0.00 H new ATOM 146 N SER A 101 -7.054 7.350 6.165 1.00 0.00 N ATOM 147 CA SER A 101 -5.834 7.051 6.967 1.00 0.00 C ATOM 148 C SER A 101 -4.861 6.244 6.102 1.00 0.00 C ATOM 149 O SER A 101 -5.216 5.751 5.051 1.00 0.00 O ATOM 150 CB SER A 101 -6.229 6.226 8.194 1.00 0.00 C ATOM 151 OG SER A 101 -6.825 5.009 7.763 1.00 0.00 O ATOM 0 H SER A 101 -7.720 6.581 6.094 1.00 0.00 H new ATOM 0 HA SER A 101 -5.361 7.978 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.351 6.019 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.927 6.787 8.816 1.00 0.00 H new ATOM 0 HG SER A 101 -7.079 4.475 8.544 1.00 0.00 H new ATOM 157 N TYR A 102 -3.639 6.101 6.534 1.00 0.00 N ATOM 158 CA TYR A 102 -2.654 5.321 5.730 1.00 0.00 C ATOM 159 C TYR A 102 -3.143 3.876 5.582 1.00 0.00 C ATOM 160 O TYR A 102 -2.983 3.263 4.550 1.00 0.00 O ATOM 161 CB TYR A 102 -1.295 5.330 6.447 1.00 0.00 C ATOM 162 CG TYR A 102 -0.428 6.444 5.904 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.491 7.724 6.469 1.00 0.00 C ATOM 164 CD2 TYR A 102 0.446 6.193 4.839 1.00 0.00 C ATOM 165 CE1 TYR A 102 0.320 8.752 5.967 1.00 0.00 C ATOM 166 CE2 TYR A 102 1.256 7.218 4.340 1.00 0.00 C ATOM 167 CZ TYR A 102 1.194 8.497 4.903 1.00 0.00 C ATOM 168 OH TYR A 102 1.994 9.508 4.411 1.00 0.00 O ATOM 0 H TYR A 102 -3.279 6.489 7.406 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.551 5.771 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.442 5.462 7.519 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.796 4.371 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.164 7.919 7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.495 5.206 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.271 9.740 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.930 7.022 3.519 1.00 0.00 H new ATOM 0 HH TYR A 102 2.541 9.163 3.675 1.00 0.00 H new ATOM 178 N ALA A 103 -3.722 3.329 6.617 1.00 0.00 N ATOM 179 CA ALA A 103 -4.206 1.917 6.553 1.00 0.00 C ATOM 180 C ALA A 103 -5.242 1.735 5.437 1.00 0.00 C ATOM 181 O ALA A 103 -5.153 0.813 4.651 1.00 0.00 O ATOM 182 CB ALA A 103 -4.838 1.541 7.897 1.00 0.00 C ATOM 0 H ALA A 103 -3.882 3.800 7.508 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.355 1.270 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.193 0.511 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.095 1.638 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.676 2.206 8.104 1.00 0.00 H new ATOM 188 N GLU A 104 -6.237 2.580 5.368 1.00 0.00 N ATOM 189 CA GLU A 104 -7.272 2.404 4.303 1.00 0.00 C ATOM 190 C GLU A 104 -6.635 2.541 2.923 1.00 0.00 C ATOM 191 O GLU A 104 -6.992 1.842 1.997 1.00 0.00 O ATOM 192 CB GLU A 104 -8.370 3.460 4.446 1.00 0.00 C ATOM 193 CG GLU A 104 -9.103 3.270 5.773 1.00 0.00 C ATOM 194 CD GLU A 104 -10.364 4.136 5.786 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.311 5.234 5.256 1.00 0.00 O ATOM 196 OE2 GLU A 104 -11.361 3.686 6.323 1.00 0.00 O ATOM 0 H GLU A 104 -6.379 3.374 5.992 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.706 1.410 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.935 4.458 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.073 3.381 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.367 2.221 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.452 3.544 6.603 1.00 0.00 H new ATOM 203 N LEU A 105 -5.705 3.439 2.769 1.00 0.00 N ATOM 204 CA LEU A 105 -5.070 3.610 1.438 1.00 0.00 C ATOM 205 C LEU A 105 -4.435 2.286 1.000 1.00 0.00 C ATOM 206 O LEU A 105 -4.518 1.904 -0.150 1.00 0.00 O ATOM 207 CB LEU A 105 -4.010 4.716 1.514 1.00 0.00 C ATOM 208 CG LEU A 105 -4.703 6.090 1.455 1.00 0.00 C ATOM 209 CD1 LEU A 105 -3.916 7.117 2.271 1.00 0.00 C ATOM 210 CD2 LEU A 105 -4.779 6.564 0.001 1.00 0.00 C ATOM 0 H LEU A 105 -5.360 4.058 3.503 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.823 3.897 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.437 4.624 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.304 4.616 0.690 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.706 5.993 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.417 8.083 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.860 6.791 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.909 7.209 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.270 7.536 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.772 6.648 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.350 5.845 -0.587 1.00 0.00 H new ATOM 222 N ILE A 106 -3.814 1.574 1.902 1.00 0.00 N ATOM 223 CA ILE A 106 -3.192 0.271 1.523 1.00 0.00 C ATOM 224 C ILE A 106 -4.272 -0.676 0.989 1.00 0.00 C ATOM 225 O ILE A 106 -4.085 -1.353 -0.001 1.00 0.00 O ATOM 226 CB ILE A 106 -2.528 -0.359 2.749 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.581 0.662 3.382 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.733 -1.610 2.334 1.00 0.00 C ATOM 229 CD1 ILE A 106 -1.136 0.172 4.762 1.00 0.00 C ATOM 0 H ILE A 106 -3.710 1.837 2.882 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.441 0.442 0.751 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.295 -0.650 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.712 0.811 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.080 1.627 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.264 -2.051 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.408 -2.336 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.964 -1.330 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.462 0.903 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.009 0.046 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.620 -0.783 4.660 1.00 0.00 H new ATOM 241 N SER A 107 -5.398 -0.735 1.646 1.00 0.00 N ATOM 242 CA SER A 107 -6.481 -1.646 1.184 1.00 0.00 C ATOM 243 C SER A 107 -6.855 -1.323 -0.266 1.00 0.00 C ATOM 244 O SER A 107 -7.013 -2.208 -1.084 1.00 0.00 O ATOM 245 CB SER A 107 -7.705 -1.478 2.085 1.00 0.00 C ATOM 246 OG SER A 107 -7.299 -1.528 3.446 1.00 0.00 O ATOM 0 H SER A 107 -5.614 -0.192 2.482 1.00 0.00 H new ATOM 0 HA SER A 107 -6.131 -2.677 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.197 -0.528 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.431 -2.265 1.881 1.00 0.00 H new ATOM 0 HG SER A 107 -8.082 -1.419 4.025 1.00 0.00 H new ATOM 252 N GLN A 108 -6.993 -0.067 -0.597 1.00 0.00 N ATOM 253 CA GLN A 108 -7.355 0.295 -1.996 1.00 0.00 C ATOM 254 C GLN A 108 -6.274 -0.223 -2.937 1.00 0.00 C ATOM 255 O GLN A 108 -6.549 -0.725 -4.009 1.00 0.00 O ATOM 256 CB GLN A 108 -7.433 1.821 -2.127 1.00 0.00 C ATOM 257 CG GLN A 108 -8.479 2.376 -1.158 1.00 0.00 C ATOM 258 CD GLN A 108 -8.408 3.904 -1.157 1.00 0.00 C ATOM 259 OE1 GLN A 108 -7.396 4.475 -1.509 1.00 0.00 O ATOM 260 NE2 GLN A 108 -9.446 4.597 -0.777 1.00 0.00 N ATOM 0 H GLN A 108 -6.871 0.721 0.039 1.00 0.00 H new ATOM 0 HA GLN A 108 -8.319 -0.146 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.459 2.263 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.692 2.094 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.475 2.047 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.301 1.992 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.297 4.120 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.406 5.616 -0.776 1.00 0.00 H new ATOM 269 N ALA A 109 -5.042 -0.090 -2.544 1.00 0.00 N ATOM 270 CA ALA A 109 -3.921 -0.555 -3.402 1.00 0.00 C ATOM 271 C ALA A 109 -4.021 -2.063 -3.651 1.00 0.00 C ATOM 272 O ALA A 109 -3.991 -2.517 -4.777 1.00 0.00 O ATOM 273 CB ALA A 109 -2.596 -0.233 -2.698 1.00 0.00 C ATOM 0 H ALA A 109 -4.760 0.325 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.969 -0.046 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.764 -0.569 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.520 0.843 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.562 -0.744 -1.736 1.00 0.00 H new ATOM 279 N ILE A 110 -4.109 -2.841 -2.612 1.00 0.00 N ATOM 280 CA ILE A 110 -4.176 -4.319 -2.789 1.00 0.00 C ATOM 281 C ILE A 110 -5.466 -4.730 -3.514 1.00 0.00 C ATOM 282 O ILE A 110 -5.451 -5.591 -4.373 1.00 0.00 O ATOM 283 CB ILE A 110 -4.094 -4.990 -1.414 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.746 -4.625 -0.772 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.201 -6.506 -1.583 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.622 -5.242 0.625 1.00 0.00 C ATOM 0 H ILE A 110 -4.138 -2.518 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.337 -4.643 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.909 -4.648 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.930 -4.977 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.652 -3.541 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.143 -6.986 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.153 -6.753 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.384 -6.861 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.660 -4.970 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.425 -4.869 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.693 -6.327 0.551 1.00 0.00 H new ATOM 298 N GLU A 111 -6.580 -4.133 -3.182 1.00 0.00 N ATOM 299 CA GLU A 111 -7.854 -4.510 -3.863 1.00 0.00 C ATOM 300 C GLU A 111 -7.800 -4.150 -5.354 1.00 0.00 C ATOM 301 O GLU A 111 -8.370 -4.835 -6.181 1.00 0.00 O ATOM 302 CB GLU A 111 -9.026 -3.781 -3.202 1.00 0.00 C ATOM 303 CG GLU A 111 -9.248 -4.339 -1.794 1.00 0.00 C ATOM 304 CD GLU A 111 -10.429 -3.620 -1.144 1.00 0.00 C ATOM 305 OE1 GLU A 111 -11.552 -3.899 -1.529 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.190 -2.796 -0.275 1.00 0.00 O ATOM 0 H GLU A 111 -6.663 -3.405 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.991 -5.587 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.821 -2.712 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.929 -3.905 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.442 -5.411 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.350 -4.204 -1.192 1.00 0.00 H new ATOM 313 N SER A 112 -7.136 -3.077 -5.707 1.00 0.00 N ATOM 314 CA SER A 112 -7.076 -2.678 -7.149 1.00 0.00 C ATOM 315 C SER A 112 -6.086 -3.569 -7.899 1.00 0.00 C ATOM 316 O SER A 112 -6.227 -3.810 -9.082 1.00 0.00 O ATOM 317 CB SER A 112 -6.617 -1.223 -7.262 1.00 0.00 C ATOM 318 OG SER A 112 -7.580 -0.375 -6.653 1.00 0.00 O ATOM 0 H SER A 112 -6.636 -2.463 -5.064 1.00 0.00 H new ATOM 0 HA SER A 112 -8.069 -2.789 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.648 -1.097 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.488 -0.951 -8.310 1.00 0.00 H new ATOM 0 HG SER A 112 -7.409 -0.325 -5.689 1.00 0.00 H new ATOM 324 N ALA A 113 -5.081 -4.054 -7.227 1.00 0.00 N ATOM 325 CA ALA A 113 -4.083 -4.916 -7.916 1.00 0.00 C ATOM 326 C ALA A 113 -4.775 -6.191 -8.411 1.00 0.00 C ATOM 327 O ALA A 113 -5.739 -6.646 -7.831 1.00 0.00 O ATOM 328 CB ALA A 113 -2.964 -5.284 -6.937 1.00 0.00 C ATOM 0 H ALA A 113 -4.908 -3.892 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.657 -4.380 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.233 -5.916 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.477 -4.375 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.385 -5.823 -6.089 1.00 0.00 H new ATOM 334 N PRO A 114 -4.292 -6.754 -9.486 1.00 0.00 N ATOM 335 CA PRO A 114 -4.879 -7.992 -10.087 1.00 0.00 C ATOM 336 C PRO A 114 -4.640 -9.264 -9.253 1.00 0.00 C ATOM 337 O PRO A 114 -5.570 -9.948 -8.877 1.00 0.00 O ATOM 338 CB PRO A 114 -4.166 -8.105 -11.440 1.00 0.00 C ATOM 339 CG PRO A 114 -2.866 -7.392 -11.258 1.00 0.00 C ATOM 340 CD PRO A 114 -3.133 -6.269 -10.257 1.00 0.00 C ATOM 0 HA PRO A 114 -5.964 -7.914 -10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.008 -9.148 -11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.756 -7.651 -12.236 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.098 -8.071 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.506 -6.992 -12.206 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.270 -6.092 -9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.353 -5.328 -10.761 1.00 0.00 H new ATOM 348 N GLU A 115 -3.407 -9.604 -8.996 1.00 0.00 N ATOM 349 CA GLU A 115 -3.117 -10.856 -8.227 1.00 0.00 C ATOM 350 C GLU A 115 -3.500 -10.714 -6.750 1.00 0.00 C ATOM 351 O GLU A 115 -3.355 -11.645 -5.984 1.00 0.00 O ATOM 352 CB GLU A 115 -1.625 -11.172 -8.319 1.00 0.00 C ATOM 353 CG GLU A 115 -1.234 -11.393 -9.780 1.00 0.00 C ATOM 354 CD GLU A 115 0.250 -11.754 -9.856 1.00 0.00 C ATOM 355 OE1 GLU A 115 0.974 -11.384 -8.947 1.00 0.00 O ATOM 356 OE2 GLU A 115 0.635 -12.396 -10.818 1.00 0.00 O ATOM 0 H GLU A 115 -2.586 -9.072 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.711 -11.660 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.043 -10.353 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.395 -12.061 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.837 -12.191 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.431 -10.493 -10.362 1.00 0.00 H new ATOM 363 N LYS A 116 -3.967 -9.569 -6.334 1.00 0.00 N ATOM 364 CA LYS A 116 -4.333 -9.399 -4.894 1.00 0.00 C ATOM 365 C LYS A 116 -3.101 -9.666 -4.028 1.00 0.00 C ATOM 366 O LYS A 116 -3.174 -10.340 -3.019 1.00 0.00 O ATOM 367 CB LYS A 116 -5.442 -10.387 -4.508 1.00 0.00 C ATOM 368 CG LYS A 116 -6.687 -10.135 -5.363 1.00 0.00 C ATOM 369 CD LYS A 116 -7.529 -9.024 -4.732 1.00 0.00 C ATOM 370 CE LYS A 116 -8.775 -8.788 -5.586 1.00 0.00 C ATOM 371 NZ LYS A 116 -9.455 -7.544 -5.133 1.00 0.00 N ATOM 0 H LYS A 116 -4.111 -8.748 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.691 -8.382 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.094 -11.410 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -5.687 -10.277 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.395 -9.853 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.275 -11.049 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.816 -9.301 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.945 -8.106 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.499 -8.703 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.453 -9.637 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.453 -7.568 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.399 -7.475 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.989 -6.718 -5.560 1.00 0.00 H new ATOM 385 N ARG A 117 -1.969 -9.144 -4.413 1.00 0.00 N ATOM 386 CA ARG A 117 -0.726 -9.369 -3.619 1.00 0.00 C ATOM 387 C ARG A 117 0.263 -8.246 -3.925 1.00 0.00 C ATOM 388 O ARG A 117 0.456 -7.882 -5.066 1.00 0.00 O ATOM 389 CB ARG A 117 -0.084 -10.704 -4.026 1.00 0.00 C ATOM 390 CG ARG A 117 -0.946 -11.880 -3.565 1.00 0.00 C ATOM 391 CD ARG A 117 -0.197 -13.191 -3.821 1.00 0.00 C ATOM 392 NE ARG A 117 -1.138 -14.335 -3.657 1.00 0.00 N ATOM 393 CZ ARG A 117 -0.808 -15.523 -4.088 1.00 0.00 C ATOM 394 NH1 ARG A 117 0.360 -15.720 -4.635 1.00 0.00 N ATOM 395 NH2 ARG A 117 -1.647 -16.514 -3.967 1.00 0.00 N ATOM 0 H ARG A 117 -1.850 -8.569 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.973 -9.387 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.039 -10.739 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.911 -10.783 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.177 -11.782 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.896 -11.881 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.224 -13.193 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.637 -13.289 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.042 -14.190 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.017 -14.945 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.616 -16.649 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -2.559 -16.361 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -1.391 -17.443 -4.303 1.00 0.00 H new ATOM 409 N LEU A 118 0.902 -7.700 -2.926 1.00 0.00 N ATOM 410 CA LEU A 118 1.884 -6.603 -3.182 1.00 0.00 C ATOM 411 C LEU A 118 3.041 -6.692 -2.192 1.00 0.00 C ATOM 412 O LEU A 118 2.858 -6.986 -1.028 1.00 0.00 O ATOM 413 CB LEU A 118 1.222 -5.234 -2.980 1.00 0.00 C ATOM 414 CG LEU A 118 0.194 -4.936 -4.073 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.394 -3.544 -3.816 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.862 -4.955 -5.455 1.00 0.00 C ATOM 0 H LEU A 118 0.789 -7.963 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 118 2.239 -6.711 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.735 -5.205 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.986 -4.457 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.589 -5.694 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.130 -3.312 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.874 -3.527 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.404 -2.802 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.118 -4.741 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.647 -4.199 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.297 -5.938 -5.635 1.00 0.00 H new ATOM 428 N THR A 119 4.227 -6.396 -2.639 1.00 0.00 N ATOM 429 CA THR A 119 5.393 -6.410 -1.715 1.00 0.00 C ATOM 430 C THR A 119 5.540 -4.994 -1.149 1.00 0.00 C ATOM 431 O THR A 119 4.818 -4.097 -1.533 1.00 0.00 O ATOM 432 CB THR A 119 6.653 -6.831 -2.475 1.00 0.00 C ATOM 433 OG1 THR A 119 6.982 -5.845 -3.441 1.00 0.00 O ATOM 434 CG2 THR A 119 6.393 -8.165 -3.173 1.00 0.00 C ATOM 0 H THR A 119 4.440 -6.145 -3.604 1.00 0.00 H new ATOM 0 HA THR A 119 5.246 -7.124 -0.904 1.00 0.00 H new ATOM 0 HB THR A 119 7.483 -6.937 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.790 -6.117 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.287 -8.471 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.143 -8.922 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.563 -8.055 -3.871 1.00 0.00 H new ATOM 442 N LEU A 120 6.440 -4.774 -0.236 1.00 0.00 N ATOM 443 CA LEU A 120 6.581 -3.404 0.343 1.00 0.00 C ATOM 444 C LEU A 120 6.884 -2.387 -0.773 1.00 0.00 C ATOM 445 O LEU A 120 6.274 -1.335 -0.855 1.00 0.00 O ATOM 446 CB LEU A 120 7.728 -3.409 1.361 1.00 0.00 C ATOM 447 CG LEU A 120 7.705 -2.112 2.187 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.579 -2.167 3.234 1.00 0.00 C ATOM 449 CD2 LEU A 120 9.056 -1.933 2.897 1.00 0.00 C ATOM 0 H LEU A 120 7.082 -5.475 0.135 1.00 0.00 H new ATOM 0 HA LEU A 120 5.650 -3.120 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.636 -4.272 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.683 -3.504 0.844 1.00 0.00 H new ATOM 0 HG LEU A 120 7.526 -1.270 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.574 -1.243 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.620 -2.285 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.745 -3.012 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.040 -1.014 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.235 -2.781 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.852 -1.877 2.155 1.00 0.00 H new ATOM 461 N ALA A 121 7.832 -2.687 -1.621 1.00 0.00 N ATOM 462 CA ALA A 121 8.202 -1.744 -2.726 1.00 0.00 C ATOM 463 C ALA A 121 7.003 -1.437 -3.639 1.00 0.00 C ATOM 464 O ALA A 121 6.890 -0.350 -4.169 1.00 0.00 O ATOM 465 CB ALA A 121 9.331 -2.373 -3.557 1.00 0.00 C ATOM 0 H ALA A 121 8.372 -3.552 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 121 8.529 -0.804 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.609 -1.696 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.196 -2.551 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.990 -3.319 -3.978 1.00 0.00 H new ATOM 471 N GLN A 122 6.126 -2.379 -3.857 1.00 0.00 N ATOM 472 CA GLN A 122 4.971 -2.116 -4.762 1.00 0.00 C ATOM 473 C GLN A 122 4.002 -1.119 -4.128 1.00 0.00 C ATOM 474 O GLN A 122 3.418 -0.297 -4.807 1.00 0.00 O ATOM 475 CB GLN A 122 4.234 -3.424 -5.045 1.00 0.00 C ATOM 476 CG GLN A 122 5.073 -4.304 -5.974 1.00 0.00 C ATOM 477 CD GLN A 122 5.126 -3.679 -7.372 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.103 -3.463 -7.992 1.00 0.00 O ATOM 479 NE2 GLN A 122 6.282 -3.380 -7.896 1.00 0.00 N ATOM 0 H GLN A 122 6.159 -3.314 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 122 5.351 -1.693 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.037 -3.950 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.267 -3.215 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.082 -4.412 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 122 4.643 -5.304 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.140 -3.561 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.328 -2.965 -8.826 1.00 0.00 H new ATOM 488 N ILE A 123 3.808 -1.183 -2.841 1.00 0.00 N ATOM 489 CA ILE A 123 2.859 -0.234 -2.202 1.00 0.00 C ATOM 490 C ILE A 123 3.344 1.195 -2.422 1.00 0.00 C ATOM 491 O ILE A 123 2.564 2.077 -2.716 1.00 0.00 O ATOM 492 CB ILE A 123 2.749 -0.536 -0.704 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.222 -1.964 -0.529 1.00 0.00 C ATOM 494 CG2 ILE A 123 1.774 0.443 -0.041 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.279 -2.370 0.946 1.00 0.00 C ATOM 0 H ILE A 123 4.261 -1.844 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 123 1.873 -0.347 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 123 3.729 -0.432 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.196 -2.028 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.816 -2.655 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.702 0.220 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.135 1.463 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.790 0.343 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.902 -3.387 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.310 -2.325 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.665 -1.688 1.535 1.00 0.00 H new ATOM 507 N TYR A 124 4.621 1.444 -2.303 1.00 0.00 N ATOM 508 CA TYR A 124 5.100 2.835 -2.533 1.00 0.00 C ATOM 509 C TYR A 124 4.714 3.264 -3.953 1.00 0.00 C ATOM 510 O TYR A 124 4.152 4.319 -4.165 1.00 0.00 O ATOM 511 CB TYR A 124 6.628 2.911 -2.421 1.00 0.00 C ATOM 512 CG TYR A 124 7.137 2.394 -1.088 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.259 2.026 -0.053 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.521 2.286 -0.894 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.772 1.554 1.162 1.00 0.00 C ATOM 516 CE2 TYR A 124 9.029 1.814 0.320 1.00 0.00 C ATOM 517 CZ TYR A 124 8.155 1.450 1.348 1.00 0.00 C ATOM 518 OH TYR A 124 8.658 0.985 2.545 1.00 0.00 O ATOM 0 H TYR A 124 5.338 0.760 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 124 4.647 3.484 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.078 2.332 -3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.948 3.944 -2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.191 2.107 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.198 2.569 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.099 1.270 1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 124 10.096 1.731 0.463 1.00 0.00 H new ATOM 0 HH TYR A 124 9.602 0.748 2.433 1.00 0.00 H new ATOM 528 N GLU A 125 5.034 2.450 -4.925 1.00 0.00 N ATOM 529 CA GLU A 125 4.728 2.797 -6.343 1.00 0.00 C ATOM 530 C GLU A 125 3.237 3.055 -6.548 1.00 0.00 C ATOM 531 O GLU A 125 2.854 4.011 -7.192 1.00 0.00 O ATOM 532 CB GLU A 125 5.173 1.645 -7.245 1.00 0.00 C ATOM 533 CG GLU A 125 6.679 1.437 -7.085 1.00 0.00 C ATOM 534 CD GLU A 125 7.200 0.543 -8.212 1.00 0.00 C ATOM 535 OE1 GLU A 125 6.976 -0.654 -8.145 1.00 0.00 O ATOM 536 OE2 GLU A 125 7.810 1.075 -9.124 1.00 0.00 O ATOM 0 H GLU A 125 5.499 1.551 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 125 5.265 3.711 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 125 4.637 0.733 -6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 125 4.932 1.867 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.192 2.398 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.892 0.981 -6.118 1.00 0.00 H new ATOM 543 N TRP A 126 2.384 2.221 -6.026 1.00 0.00 N ATOM 544 CA TRP A 126 0.928 2.457 -6.236 1.00 0.00 C ATOM 545 C TRP A 126 0.551 3.823 -5.666 1.00 0.00 C ATOM 546 O TRP A 126 -0.035 4.646 -6.342 1.00 0.00 O ATOM 547 CB TRP A 126 0.109 1.376 -5.539 1.00 0.00 C ATOM 548 CG TRP A 126 -1.340 1.619 -5.816 1.00 0.00 C ATOM 549 CD1 TRP A 126 -2.002 1.203 -6.919 1.00 0.00 C ATOM 550 CD2 TRP A 126 -2.311 2.338 -5.004 1.00 0.00 C ATOM 551 NE1 TRP A 126 -3.320 1.613 -6.831 1.00 0.00 N ATOM 552 CE2 TRP A 126 -3.560 2.315 -5.670 1.00 0.00 C ATOM 553 CE3 TRP A 126 -2.233 2.997 -3.765 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.689 2.925 -5.127 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -3.369 3.613 -3.215 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.594 3.577 -3.894 1.00 0.00 C ATOM 0 H TRP A 126 2.624 1.399 -5.472 1.00 0.00 H new ATOM 0 HA TRP A 126 0.715 2.427 -7.305 1.00 0.00 H new ATOM 0 HB2 TRP A 126 0.402 0.389 -5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.297 1.393 -4.465 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.572 0.642 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -4.028 1.419 -7.539 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -1.294 3.030 -3.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.631 2.894 -5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -3.298 4.118 -2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -5.464 4.052 -3.465 1.00 0.00 H new ATOM 567 N MET A 127 0.894 4.084 -4.437 1.00 0.00 N ATOM 568 CA MET A 127 0.560 5.409 -3.853 1.00 0.00 C ATOM 569 C MET A 127 1.136 6.508 -4.749 1.00 0.00 C ATOM 570 O MET A 127 0.497 7.504 -5.019 1.00 0.00 O ATOM 571 CB MET A 127 1.166 5.523 -2.453 1.00 0.00 C ATOM 572 CG MET A 127 0.409 4.611 -1.486 1.00 0.00 C ATOM 573 SD MET A 127 1.039 4.868 0.192 1.00 0.00 S ATOM 574 CE MET A 127 -0.139 3.791 1.043 1.00 0.00 C ATOM 0 H MET A 127 1.387 3.442 -3.816 1.00 0.00 H new ATOM 0 HA MET A 127 -0.523 5.517 -3.784 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.220 5.246 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.116 6.556 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.659 4.828 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.533 3.568 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.257 4.124 2.074 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.103 3.833 0.535 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.232 2.766 1.033 1.00 0.00 H new ATOM 584 N VAL A 128 2.345 6.327 -5.211 1.00 0.00 N ATOM 585 CA VAL A 128 2.979 7.353 -6.092 1.00 0.00 C ATOM 586 C VAL A 128 2.238 7.413 -7.431 1.00 0.00 C ATOM 587 O VAL A 128 1.997 8.473 -7.975 1.00 0.00 O ATOM 588 CB VAL A 128 4.442 6.966 -6.344 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.130 8.061 -7.162 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.177 6.787 -5.004 1.00 0.00 C ATOM 0 H VAL A 128 2.923 5.510 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 128 2.930 8.328 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 128 4.471 6.027 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.169 7.784 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.617 8.178 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.094 9.002 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.215 6.512 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.145 7.721 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.693 6.000 -4.426 1.00 0.00 H new ATOM 600 N ARG A 129 1.890 6.279 -7.970 1.00 0.00 N ATOM 601 CA ARG A 129 1.181 6.255 -9.281 1.00 0.00 C ATOM 602 C ARG A 129 -0.192 6.914 -9.154 1.00 0.00 C ATOM 603 O ARG A 129 -0.661 7.577 -10.059 1.00 0.00 O ATOM 604 CB ARG A 129 0.992 4.801 -9.721 1.00 0.00 C ATOM 605 CG ARG A 129 0.386 4.765 -11.124 1.00 0.00 C ATOM 606 CD ARG A 129 0.155 3.313 -11.548 1.00 0.00 C ATOM 607 NE ARG A 129 -0.180 3.274 -12.999 1.00 0.00 N ATOM 608 CZ ARG A 129 -0.129 2.144 -13.651 1.00 0.00 C ATOM 609 NH1 ARG A 129 0.202 1.046 -13.029 1.00 0.00 N ATOM 610 NH2 ARG A 129 -0.411 2.114 -14.925 1.00 0.00 N ATOM 0 H ARG A 129 2.067 5.363 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 129 1.774 6.801 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.950 4.281 -9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.341 4.280 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -0.556 5.312 -11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.052 5.259 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.047 2.718 -11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.654 2.875 -10.964 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.449 4.130 -13.483 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.421 1.070 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.242 0.163 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.671 2.973 -15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.371 1.232 -15.435 1.00 0.00 H new ATOM 624 N THR A 130 -0.853 6.717 -8.051 1.00 0.00 N ATOM 625 CA THR A 130 -2.209 7.307 -7.882 1.00 0.00 C ATOM 626 C THR A 130 -2.114 8.734 -7.329 1.00 0.00 C ATOM 627 O THR A 130 -2.664 9.656 -7.895 1.00 0.00 O ATOM 628 CB THR A 130 -3.011 6.425 -6.921 1.00 0.00 C ATOM 629 OG1 THR A 130 -2.558 5.085 -7.033 1.00 0.00 O ATOM 630 CG2 THR A 130 -4.497 6.482 -7.278 1.00 0.00 C ATOM 0 H THR A 130 -0.514 6.173 -7.258 1.00 0.00 H new ATOM 0 HA THR A 130 -2.707 7.353 -8.851 1.00 0.00 H new ATOM 0 HB THR A 130 -2.871 6.784 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.799 4.945 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 130 -5.061 5.852 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.850 7.510 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.640 6.124 -8.298 1.00 0.00 H new ATOM 638 N VAL A 131 -1.438 8.929 -6.229 1.00 0.00 N ATOM 639 CA VAL A 131 -1.345 10.306 -5.660 1.00 0.00 C ATOM 640 C VAL A 131 -0.162 11.058 -6.294 1.00 0.00 C ATOM 641 O VAL A 131 0.978 10.672 -6.130 1.00 0.00 O ATOM 642 CB VAL A 131 -1.142 10.220 -4.138 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.184 11.627 -3.525 1.00 0.00 C ATOM 644 CG2 VAL A 131 -2.260 9.370 -3.525 1.00 0.00 C ATOM 0 H VAL A 131 -0.950 8.203 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.268 10.845 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.173 9.765 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.040 11.559 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.392 12.237 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.151 12.086 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.119 9.307 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.225 9.829 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -2.232 8.368 -3.954 1.00 0.00 H new ATOM 654 N PRO A 132 -0.425 12.139 -6.999 1.00 0.00 N ATOM 655 CA PRO A 132 0.648 12.951 -7.637 1.00 0.00 C ATOM 656 C PRO A 132 1.403 13.774 -6.590 1.00 0.00 C ATOM 657 O PRO A 132 2.570 14.080 -6.737 1.00 0.00 O ATOM 658 CB PRO A 132 -0.108 13.860 -8.615 1.00 0.00 C ATOM 659 CG PRO A 132 -1.491 13.979 -8.060 1.00 0.00 C ATOM 660 CD PRO A 132 -1.764 12.698 -7.264 1.00 0.00 C ATOM 0 HA PRO A 132 1.401 12.339 -8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.369 14.837 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.123 13.432 -9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.576 14.857 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.220 14.098 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.296 12.912 -6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.380 12.001 -7.832 1.00 0.00 H new ATOM 668 N TYR A 133 0.734 14.121 -5.525 1.00 0.00 N ATOM 669 CA TYR A 133 1.386 14.911 -4.442 1.00 0.00 C ATOM 670 C TYR A 133 2.565 14.118 -3.866 1.00 0.00 C ATOM 671 O TYR A 133 3.454 14.668 -3.249 1.00 0.00 O ATOM 672 CB TYR A 133 0.361 15.183 -3.333 1.00 0.00 C ATOM 673 CG TYR A 133 0.784 16.390 -2.530 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.576 17.674 -3.045 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.383 16.226 -1.275 1.00 0.00 C ATOM 676 CE1 TYR A 133 0.967 18.797 -2.308 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.775 17.349 -0.536 1.00 0.00 C ATOM 678 CZ TYR A 133 1.566 18.635 -1.053 1.00 0.00 C ATOM 679 OH TYR A 133 1.952 19.742 -0.324 1.00 0.00 O ATOM 0 H TYR A 133 -0.245 13.889 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 133 1.751 15.855 -4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.624 15.352 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.277 14.313 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.113 17.798 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.542 15.235 -0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.807 19.788 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.238 17.224 0.432 1.00 0.00 H new ATOM 0 HH TYR A 133 2.350 19.453 0.524 1.00 0.00 H new ATOM 689 N PHE A 134 2.568 12.823 -4.046 1.00 0.00 N ATOM 690 CA PHE A 134 3.676 11.992 -3.488 1.00 0.00 C ATOM 691 C PHE A 134 4.856 11.960 -4.465 1.00 0.00 C ATOM 692 O PHE A 134 5.959 11.607 -4.102 1.00 0.00 O ATOM 693 CB PHE A 134 3.173 10.563 -3.267 1.00 0.00 C ATOM 694 CG PHE A 134 2.342 10.462 -2.002 1.00 0.00 C ATOM 695 CD1 PHE A 134 1.729 11.594 -1.435 1.00 0.00 C ATOM 696 CD2 PHE A 134 2.179 9.210 -1.395 1.00 0.00 C ATOM 697 CE1 PHE A 134 0.965 11.465 -0.269 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.414 9.085 -0.232 1.00 0.00 C ATOM 699 CZ PHE A 134 0.807 10.211 0.332 1.00 0.00 C ATOM 0 H PHE A 134 1.852 12.305 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 134 4.004 12.426 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 134 2.576 10.249 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.022 9.882 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 134 1.848 12.562 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.646 8.338 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.497 12.335 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 134 1.292 8.117 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 134 0.216 10.113 1.231 1.00 0.00 H new ATOM 709 N LYS A 135 4.638 12.319 -5.701 1.00 0.00 N ATOM 710 CA LYS A 135 5.758 12.295 -6.685 1.00 0.00 C ATOM 711 C LYS A 135 6.881 13.223 -6.221 1.00 0.00 C ATOM 712 O LYS A 135 8.047 12.901 -6.333 1.00 0.00 O ATOM 713 CB LYS A 135 5.251 12.768 -8.045 1.00 0.00 C ATOM 714 CG LYS A 135 4.345 11.699 -8.653 1.00 0.00 C ATOM 715 CD LYS A 135 3.866 12.161 -10.033 1.00 0.00 C ATOM 716 CE LYS A 135 2.948 11.099 -10.647 1.00 0.00 C ATOM 717 NZ LYS A 135 1.813 11.768 -11.343 1.00 0.00 N ATOM 0 H LYS A 135 3.738 12.626 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 135 6.139 11.277 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.703 13.704 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 135 6.092 12.967 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.885 10.756 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.490 11.518 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.333 13.108 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.722 12.336 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.507 10.482 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.571 10.435 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.466 11.156 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.045 11.943 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.135 12.673 -11.742 1.00 0.00 H new ATOM 731 N ASP A 136 6.545 14.369 -5.699 1.00 0.00 N ATOM 732 CA ASP A 136 7.603 15.306 -5.231 1.00 0.00 C ATOM 733 C ASP A 136 8.301 14.708 -4.008 1.00 0.00 C ATOM 734 O ASP A 136 9.488 14.878 -3.807 1.00 0.00 O ATOM 735 CB ASP A 136 6.974 16.647 -4.847 1.00 0.00 C ATOM 736 CG ASP A 136 6.401 17.323 -6.094 1.00 0.00 C ATOM 737 OD1 ASP A 136 5.980 16.611 -6.990 1.00 0.00 O ATOM 738 OD2 ASP A 136 6.386 18.544 -6.128 1.00 0.00 O ATOM 0 H ASP A 136 5.587 14.697 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 136 8.326 15.462 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.185 16.492 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.721 17.291 -4.383 1.00 0.00 H new ATOM 743 N LYS A 137 7.562 14.023 -3.179 1.00 0.00 N ATOM 744 CA LYS A 137 8.155 13.423 -1.955 1.00 0.00 C ATOM 745 C LYS A 137 8.831 12.086 -2.278 1.00 0.00 C ATOM 746 O LYS A 137 9.732 11.656 -1.585 1.00 0.00 O ATOM 747 CB LYS A 137 7.035 13.214 -0.935 1.00 0.00 C ATOM 748 CG LYS A 137 6.427 14.577 -0.598 1.00 0.00 C ATOM 749 CD LYS A 137 5.424 14.438 0.548 1.00 0.00 C ATOM 750 CE LYS A 137 4.218 13.619 0.084 1.00 0.00 C ATOM 751 NZ LYS A 137 3.061 13.878 0.986 1.00 0.00 N ATOM 0 H LYS A 137 6.564 13.853 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 137 8.916 14.090 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.273 12.549 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.426 12.740 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.215 15.276 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.932 14.990 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.898 13.953 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.099 15.424 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 137 3.959 13.883 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.464 12.557 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 2.287 13.223 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 3.352 13.734 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 2.735 14.858 0.860 1.00 0.00 H new ATOM 765 N GLY A 138 8.411 11.422 -3.319 1.00 0.00 N ATOM 766 CA GLY A 138 9.042 10.116 -3.667 1.00 0.00 C ATOM 767 C GLY A 138 10.501 10.337 -4.070 1.00 0.00 C ATOM 768 O GLY A 138 11.396 9.673 -3.584 1.00 0.00 O ATOM 0 H GLY A 138 7.662 11.724 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.989 9.438 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.497 9.644 -4.485 1.00 0.00 H new ATOM 772 N ASP A 139 10.752 11.260 -4.958 1.00 0.00 N ATOM 773 CA ASP A 139 12.156 11.512 -5.390 1.00 0.00 C ATOM 774 C ASP A 139 12.861 12.399 -4.359 1.00 0.00 C ATOM 775 O ASP A 139 13.879 13.000 -4.638 1.00 0.00 O ATOM 776 CB ASP A 139 12.158 12.185 -6.771 1.00 0.00 C ATOM 777 CG ASP A 139 11.989 13.703 -6.632 1.00 0.00 C ATOM 778 OD1 ASP A 139 11.526 14.141 -5.592 1.00 0.00 O ATOM 779 OD2 ASP A 139 12.321 14.400 -7.576 1.00 0.00 O ATOM 0 H ASP A 139 10.048 11.849 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 139 12.692 10.566 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 139 13.092 11.963 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 139 11.351 11.778 -7.381 1.00 0.00 H new ATOM 784 N SER A 140 12.322 12.485 -3.169 1.00 0.00 N ATOM 785 CA SER A 140 12.955 13.331 -2.111 1.00 0.00 C ATOM 786 C SER A 140 13.398 12.443 -0.944 1.00 0.00 C ATOM 787 O SER A 140 13.137 11.257 -0.921 1.00 0.00 O ATOM 788 CB SER A 140 11.946 14.365 -1.610 1.00 0.00 C ATOM 789 OG SER A 140 12.624 15.333 -0.817 1.00 0.00 O ATOM 0 H SER A 140 11.469 12.005 -2.884 1.00 0.00 H new ATOM 0 HA SER A 140 13.822 13.843 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.453 14.849 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.168 13.877 -1.023 1.00 0.00 H new ATOM 0 HG SER A 140 11.982 15.999 -0.495 1.00 0.00 H new ATOM 795 N ASN A 141 14.074 13.008 0.021 1.00 0.00 N ATOM 796 CA ASN A 141 14.541 12.195 1.183 1.00 0.00 C ATOM 797 C ASN A 141 13.345 11.768 2.033 1.00 0.00 C ATOM 798 O ASN A 141 13.407 10.804 2.768 1.00 0.00 O ATOM 799 CB ASN A 141 15.489 13.030 2.047 1.00 0.00 C ATOM 800 CG ASN A 141 16.662 13.521 1.201 1.00 0.00 C ATOM 801 OD1 ASN A 141 17.688 12.876 1.130 1.00 0.00 O ATOM 802 ND2 ASN A 141 16.552 14.646 0.551 1.00 0.00 N ATOM 0 H ASN A 141 14.323 13.997 0.055 1.00 0.00 H new ATOM 0 HA ASN A 141 15.060 11.312 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 141 14.955 13.880 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 141 15.856 12.433 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 141 17.328 14.985 -0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 141 15.690 15.187 0.611 1.00 0.00 H new ATOM 809 N SER A 142 12.262 12.487 1.953 1.00 0.00 N ATOM 810 CA SER A 142 11.068 12.132 2.770 1.00 0.00 C ATOM 811 C SER A 142 10.728 10.646 2.594 1.00 0.00 C ATOM 812 O SER A 142 10.028 10.064 3.397 1.00 0.00 O ATOM 813 CB SER A 142 9.876 12.975 2.320 1.00 0.00 C ATOM 814 OG SER A 142 9.468 12.549 1.027 1.00 0.00 O ATOM 0 H SER A 142 12.151 13.307 1.356 1.00 0.00 H new ATOM 0 HA SER A 142 11.288 12.327 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 142 9.053 12.871 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 142 10.148 14.030 2.300 1.00 0.00 H new ATOM 0 HG SER A 142 10.253 12.466 0.447 1.00 0.00 H new ATOM 820 N SER A 143 11.211 10.030 1.551 1.00 0.00 N ATOM 821 CA SER A 143 10.902 8.586 1.332 1.00 0.00 C ATOM 822 C SER A 143 11.423 7.755 2.510 1.00 0.00 C ATOM 823 O SER A 143 10.863 6.735 2.861 1.00 0.00 O ATOM 824 CB SER A 143 11.573 8.107 0.046 1.00 0.00 C ATOM 825 OG SER A 143 11.088 8.871 -1.051 1.00 0.00 O ATOM 0 H SER A 143 11.804 10.461 0.842 1.00 0.00 H new ATOM 0 HA SER A 143 9.822 8.464 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.655 8.211 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.366 7.049 -0.113 1.00 0.00 H new ATOM 0 HG SER A 143 11.694 8.769 -1.814 1.00 0.00 H new ATOM 831 N ALA A 144 12.497 8.183 3.107 1.00 0.00 N ATOM 832 CA ALA A 144 13.080 7.424 4.250 1.00 0.00 C ATOM 833 C ALA A 144 12.051 7.267 5.373 1.00 0.00 C ATOM 834 O ALA A 144 12.032 6.273 6.071 1.00 0.00 O ATOM 835 CB ALA A 144 14.293 8.186 4.783 1.00 0.00 C ATOM 0 H ALA A 144 13.001 9.032 2.852 1.00 0.00 H new ATOM 0 HA ALA A 144 13.375 6.433 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.727 7.639 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 144 15.035 8.288 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.982 9.176 5.118 1.00 0.00 H new ATOM 841 N GLY A 145 11.209 8.241 5.570 1.00 0.00 N ATOM 842 CA GLY A 145 10.202 8.137 6.668 1.00 0.00 C ATOM 843 C GLY A 145 9.073 7.182 6.272 1.00 0.00 C ATOM 844 O GLY A 145 8.386 6.643 7.115 1.00 0.00 O ATOM 0 H GLY A 145 11.172 9.101 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.684 7.782 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 145 9.792 9.123 6.888 1.00 0.00 H new ATOM 848 N TRP A 146 8.863 6.977 5.002 1.00 0.00 N ATOM 849 CA TRP A 146 7.761 6.068 4.566 1.00 0.00 C ATOM 850 C TRP A 146 7.899 4.702 5.240 1.00 0.00 C ATOM 851 O TRP A 146 6.924 4.019 5.486 1.00 0.00 O ATOM 852 CB TRP A 146 7.835 5.838 3.052 1.00 0.00 C ATOM 853 CG TRP A 146 7.569 7.091 2.274 1.00 0.00 C ATOM 854 CD1 TRP A 146 7.777 8.361 2.698 1.00 0.00 C ATOM 855 CD2 TRP A 146 7.059 7.193 0.915 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.431 9.232 1.677 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.979 8.557 0.558 1.00 0.00 C ATOM 858 CE3 TRP A 146 6.661 6.232 -0.032 1.00 0.00 C ATOM 859 CZ2 TRP A 146 6.519 8.954 -0.704 1.00 0.00 C ATOM 860 CZ3 TRP A 146 6.199 6.627 -1.296 1.00 0.00 C ATOM 861 CH2 TRP A 146 6.129 7.984 -1.632 1.00 0.00 C ATOM 0 H TRP A 146 9.404 7.398 4.247 1.00 0.00 H new ATOM 0 HA TRP A 146 6.816 6.537 4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 146 8.822 5.454 2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 146 7.111 5.075 2.767 1.00 0.00 H new ATOM 0 HD1 TRP A 146 8.150 8.647 3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 146 7.501 10.247 1.743 1.00 0.00 H new ATOM 0 HE3 TRP A 146 6.712 5.182 0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 6.466 10.002 -0.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 5.895 5.880 -2.014 1.00 0.00 H new ATOM 0 HH2 TRP A 146 5.774 8.281 -2.608 1.00 0.00 H new ATOM 872 N LYS A 147 9.101 4.277 5.493 1.00 0.00 N ATOM 873 CA LYS A 147 9.305 2.933 6.102 1.00 0.00 C ATOM 874 C LYS A 147 8.680 2.848 7.501 1.00 0.00 C ATOM 875 O LYS A 147 7.877 1.980 7.776 1.00 0.00 O ATOM 876 CB LYS A 147 10.808 2.654 6.186 1.00 0.00 C ATOM 877 CG LYS A 147 11.377 2.568 4.767 1.00 0.00 C ATOM 878 CD LYS A 147 12.870 2.229 4.816 1.00 0.00 C ATOM 879 CE LYS A 147 13.388 2.029 3.388 1.00 0.00 C ATOM 880 NZ LYS A 147 14.845 1.722 3.417 1.00 0.00 N ATOM 0 H LYS A 147 9.955 4.802 5.305 1.00 0.00 H new ATOM 0 HA LYS A 147 8.814 2.187 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 147 11.308 3.445 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.989 1.722 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 147 10.842 1.807 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 147 11.229 3.516 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 147 13.421 3.031 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 147 13.031 1.325 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.846 1.216 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 147 13.208 2.927 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 15.191 1.587 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.357 2.511 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 15.006 0.853 3.965 1.00 0.00 H new ATOM 894 N ASN A 148 9.055 3.714 8.394 1.00 0.00 N ATOM 895 CA ASN A 148 8.497 3.638 9.773 1.00 0.00 C ATOM 896 C ASN A 148 6.978 3.814 9.782 1.00 0.00 C ATOM 897 O ASN A 148 6.271 3.073 10.435 1.00 0.00 O ATOM 898 CB ASN A 148 9.132 4.718 10.650 1.00 0.00 C ATOM 899 CG ASN A 148 8.663 4.532 12.095 1.00 0.00 C ATOM 900 OD1 ASN A 148 7.805 3.716 12.366 1.00 0.00 O ATOM 901 ND2 ASN A 148 9.189 5.263 13.038 1.00 0.00 N ATOM 0 H ASN A 148 9.721 4.470 8.233 1.00 0.00 H new ATOM 0 HA ASN A 148 8.728 2.648 10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 148 10.219 4.654 10.597 1.00 0.00 H new ATOM 0 HB3 ASN A 148 8.853 5.708 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 148 8.880 5.150 14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 148 9.909 5.948 12.810 1.00 0.00 H new ATOM 908 N SER A 149 6.460 4.789 9.088 1.00 0.00 N ATOM 909 CA SER A 149 4.982 4.986 9.111 1.00 0.00 C ATOM 910 C SER A 149 4.282 3.728 8.597 1.00 0.00 C ATOM 911 O SER A 149 3.563 3.058 9.314 1.00 0.00 O ATOM 912 CB SER A 149 4.611 6.185 8.231 1.00 0.00 C ATOM 913 OG SER A 149 4.100 5.724 6.988 1.00 0.00 O ATOM 0 H SER A 149 6.985 5.449 8.514 1.00 0.00 H new ATOM 0 HA SER A 149 4.660 5.177 10.135 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.867 6.802 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.487 6.812 8.065 1.00 0.00 H new ATOM 0 HG SER A 149 3.862 6.492 6.427 1.00 0.00 H new ATOM 919 N ILE A 150 4.475 3.424 7.353 1.00 0.00 N ATOM 920 CA ILE A 150 3.816 2.236 6.753 1.00 0.00 C ATOM 921 C ILE A 150 4.251 0.939 7.454 1.00 0.00 C ATOM 922 O ILE A 150 3.442 0.063 7.685 1.00 0.00 O ATOM 923 CB ILE A 150 4.184 2.194 5.273 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.503 3.373 4.563 1.00 0.00 C ATOM 925 CG2 ILE A 150 3.713 0.873 4.663 1.00 0.00 C ATOM 926 CD1 ILE A 150 4.192 3.655 3.226 1.00 0.00 C ATOM 0 H ILE A 150 5.069 3.953 6.715 1.00 0.00 H new ATOM 0 HA ILE A 150 2.736 2.316 6.876 1.00 0.00 H new ATOM 0 HB ILE A 150 5.265 2.269 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.450 3.147 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.543 4.260 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.977 0.846 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 150 4.194 0.042 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.631 0.788 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 150 3.700 4.493 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 150 5.239 3.901 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 150 4.129 2.772 2.591 1.00 0.00 H new ATOM 938 N ARG A 151 5.506 0.793 7.799 1.00 0.00 N ATOM 939 CA ARG A 151 5.932 -0.469 8.481 1.00 0.00 C ATOM 940 C ARG A 151 5.149 -0.636 9.785 1.00 0.00 C ATOM 941 O ARG A 151 4.853 -1.735 10.208 1.00 0.00 O ATOM 942 CB ARG A 151 7.432 -0.426 8.786 1.00 0.00 C ATOM 943 CG ARG A 151 7.876 -1.785 9.333 1.00 0.00 C ATOM 944 CD ARG A 151 9.398 -1.791 9.500 1.00 0.00 C ATOM 945 NE ARG A 151 9.857 -3.112 10.042 1.00 0.00 N ATOM 946 CZ ARG A 151 9.316 -3.644 11.109 1.00 0.00 C ATOM 947 NH1 ARG A 151 8.430 -2.986 11.803 1.00 0.00 N ATOM 948 NH2 ARG A 151 9.696 -4.825 11.507 1.00 0.00 N ATOM 0 H ARG A 151 6.244 1.480 7.642 1.00 0.00 H new ATOM 0 HA ARG A 151 5.729 -1.313 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.992 -0.184 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.645 0.358 9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.393 -1.980 10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.570 -2.581 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.877 -1.598 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.700 -0.989 10.174 1.00 0.00 H new ATOM 0 HE ARG A 151 10.610 -3.609 9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 151 8.152 -2.047 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 151 8.015 -3.410 12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.413 -5.332 10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.277 -5.243 12.338 1.00 0.00 H new ATOM 962 N HIS A 152 4.835 0.451 10.434 1.00 0.00 N ATOM 963 CA HIS A 152 4.092 0.382 11.728 1.00 0.00 C ATOM 964 C HIS A 152 2.706 -0.249 11.533 1.00 0.00 C ATOM 965 O HIS A 152 2.310 -1.128 12.272 1.00 0.00 O ATOM 966 CB HIS A 152 3.932 1.802 12.273 1.00 0.00 C ATOM 967 CG HIS A 152 3.379 1.764 13.671 1.00 0.00 C ATOM 968 ND1 HIS A 152 4.084 1.210 14.732 1.00 0.00 N ATOM 969 CD2 HIS A 152 2.199 2.221 14.200 1.00 0.00 C ATOM 970 CE1 HIS A 152 3.327 1.348 15.836 1.00 0.00 C ATOM 971 NE2 HIS A 152 2.169 1.957 15.564 1.00 0.00 N ATOM 0 H HIS A 152 5.063 1.395 10.121 1.00 0.00 H new ATOM 0 HA HIS A 152 4.652 -0.238 12.428 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.896 2.311 12.269 1.00 0.00 H new ATOM 0 HB3 HIS A 152 3.267 2.374 11.627 1.00 0.00 H new ATOM 0 HD2 HIS A 152 1.414 2.711 13.642 1.00 0.00 H new ATOM 0 HE1 HIS A 152 3.619 1.009 16.819 1.00 0.00 H new ATOM 0 HE2 HIS A 152 1.420 2.181 16.220 1.00 0.00 H new ATOM 980 N ASN A 153 1.959 0.200 10.559 1.00 0.00 N ATOM 981 CA ASN A 153 0.596 -0.369 10.344 1.00 0.00 C ATOM 982 C ASN A 153 0.685 -1.804 9.820 1.00 0.00 C ATOM 983 O ASN A 153 -0.088 -2.660 10.201 1.00 0.00 O ATOM 984 CB ASN A 153 -0.152 0.487 9.323 1.00 0.00 C ATOM 985 CG ASN A 153 -0.367 1.891 9.889 1.00 0.00 C ATOM 986 OD1 ASN A 153 -1.104 2.072 10.838 1.00 0.00 O ATOM 987 ND2 ASN A 153 0.259 2.898 9.348 1.00 0.00 N ATOM 0 H ASN A 153 2.232 0.934 9.905 1.00 0.00 H new ATOM 0 HA ASN A 153 0.066 -0.373 11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.415 0.542 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -1.112 0.030 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.130 3.839 9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 153 0.878 2.746 8.551 1.00 0.00 H new ATOM 994 N LEU A 154 1.605 -2.078 8.939 1.00 0.00 N ATOM 995 CA LEU A 154 1.715 -3.460 8.388 1.00 0.00 C ATOM 996 C LEU A 154 1.939 -4.474 9.511 1.00 0.00 C ATOM 997 O LEU A 154 1.395 -5.558 9.490 1.00 0.00 O ATOM 998 CB LEU A 154 2.877 -3.525 7.400 1.00 0.00 C ATOM 999 CG LEU A 154 2.572 -2.619 6.206 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.796 -2.543 5.294 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.375 -3.182 5.423 1.00 0.00 C ATOM 0 H LEU A 154 2.284 -1.409 8.577 1.00 0.00 H new ATOM 0 HA LEU A 154 0.784 -3.707 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.801 -3.209 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.028 -4.551 7.064 1.00 0.00 H new ATOM 0 HG LEU A 154 2.328 -1.619 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.577 -1.897 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.640 -2.136 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 154 4.045 -3.542 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.160 -2.535 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.613 -4.184 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.503 -3.227 6.075 1.00 0.00 H new ATOM 1013 N SER A 155 2.739 -4.146 10.485 1.00 0.00 N ATOM 1014 CA SER A 155 2.988 -5.118 11.584 1.00 0.00 C ATOM 1015 C SER A 155 1.798 -5.136 12.545 1.00 0.00 C ATOM 1016 O SER A 155 1.300 -6.183 12.906 1.00 0.00 O ATOM 1017 CB SER A 155 4.250 -4.726 12.348 1.00 0.00 C ATOM 1018 OG SER A 155 4.252 -5.384 13.608 1.00 0.00 O ATOM 0 H SER A 155 3.228 -3.255 10.568 1.00 0.00 H new ATOM 0 HA SER A 155 3.119 -6.110 11.153 1.00 0.00 H new ATOM 0 HB2 SER A 155 5.137 -5.003 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.285 -3.646 12.488 1.00 0.00 H new ATOM 0 HG SER A 155 5.061 -5.138 14.104 1.00 0.00 H new ATOM 1024 N LEU A 156 1.336 -3.989 12.961 1.00 0.00 N ATOM 1025 CA LEU A 156 0.175 -3.951 13.897 1.00 0.00 C ATOM 1026 C LEU A 156 -1.123 -4.167 13.112 1.00 0.00 C ATOM 1027 O LEU A 156 -1.175 -3.966 11.915 1.00 0.00 O ATOM 1028 CB LEU A 156 0.121 -2.586 14.590 1.00 0.00 C ATOM 1029 CG LEU A 156 1.392 -2.359 15.417 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.321 -0.973 16.062 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.505 -3.427 16.516 1.00 0.00 C ATOM 0 H LEU A 156 1.710 -3.078 12.695 1.00 0.00 H new ATOM 0 HA LEU A 156 0.288 -4.738 14.643 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.017 -1.796 13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.756 -2.533 15.236 1.00 0.00 H new ATOM 0 HG LEU A 156 2.264 -2.427 14.767 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.220 -0.800 16.653 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.247 -0.213 15.284 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.445 -0.917 16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.411 -3.256 17.097 1.00 0.00 H new ATOM 0 HD22 LEU A 156 0.636 -3.367 17.172 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.548 -4.416 16.059 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.172 -4.567 13.780 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.471 -4.787 13.076 1.00 0.00 C ATOM 1045 C HIS A 157 -3.391 -6.060 12.229 1.00 0.00 C ATOM 1046 O HIS A 157 -2.940 -6.042 11.100 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.784 -3.580 12.183 1.00 0.00 C ATOM 1048 CG HIS A 157 -5.272 -3.462 12.005 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -6.163 -3.790 13.018 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -6.042 -3.058 10.943 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -7.406 -3.582 12.548 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -7.385 -3.135 11.289 1.00 0.00 N ATOM 0 H HIS A 157 -2.186 -4.751 14.783 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.267 -4.901 13.812 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -3.387 -2.669 12.632 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -3.299 -3.695 11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -5.662 -2.731 9.986 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -8.308 -3.755 13.117 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -8.187 -2.900 10.704 1.00 0.00 H new ATOM 1061 N SER A 158 -3.822 -7.164 12.773 1.00 0.00 N ATOM 1062 CA SER A 158 -3.770 -8.449 12.020 1.00 0.00 C ATOM 1063 C SER A 158 -4.536 -8.323 10.697 1.00 0.00 C ATOM 1064 O SER A 158 -4.578 -9.246 9.905 1.00 0.00 O ATOM 1065 CB SER A 158 -4.396 -9.555 12.868 1.00 0.00 C ATOM 1066 OG SER A 158 -5.802 -9.353 12.939 1.00 0.00 O ATOM 0 H SER A 158 -4.211 -7.232 13.714 1.00 0.00 H new ATOM 0 HA SER A 158 -2.730 -8.692 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 158 -4.179 -10.530 12.433 1.00 0.00 H new ATOM 0 HB3 SER A 158 -3.965 -9.550 13.869 1.00 0.00 H new ATOM 0 HG SER A 158 -6.207 -10.062 13.481 1.00 0.00 H new ATOM 1072 N LYS A 159 -5.140 -7.194 10.440 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.892 -7.034 9.161 1.00 0.00 C ATOM 1074 C LYS A 159 -5.003 -7.465 7.993 1.00 0.00 C ATOM 1075 O LYS A 159 -5.469 -8.021 7.019 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.293 -5.568 8.972 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.145 -5.431 7.705 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.341 -3.950 7.377 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.197 -3.817 6.114 1.00 0.00 C ATOM 1080 NZ LYS A 159 -9.434 -4.637 6.262 1.00 0.00 N ATOM 0 H LYS A 159 -5.146 -6.380 11.055 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.789 -7.653 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.853 -5.218 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.403 -4.943 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.659 -5.937 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -8.112 -5.913 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -7.824 -3.442 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -6.375 -3.469 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -8.459 -2.772 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -7.632 -4.147 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -10.198 -4.218 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -9.249 -5.606 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -9.718 -4.659 7.262 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.725 -7.203 8.078 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.807 -7.586 6.964 1.00 0.00 C ATOM 1096 C PHE A 160 -2.147 -8.937 7.276 1.00 0.00 C ATOM 1097 O PHE A 160 -1.654 -9.158 8.365 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.719 -6.513 6.814 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.350 -5.153 6.583 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -3.196 -4.945 5.486 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.081 -4.095 7.465 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.772 -3.685 5.272 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.658 -2.837 7.247 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.502 -2.632 6.151 1.00 0.00 C ATOM 0 H PHE A 160 -3.277 -6.741 8.870 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.376 -7.668 6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.099 -6.486 7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -1.064 -6.764 5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -3.405 -5.756 4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.429 -4.251 8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -4.425 -3.528 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.451 -2.024 7.927 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.945 -1.661 5.984 1.00 0.00 H new ATOM 1114 N ILE A 161 -2.128 -9.840 6.324 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.490 -11.174 6.562 1.00 0.00 C ATOM 1116 C ILE A 161 -0.122 -11.216 5.875 1.00 0.00 C ATOM 1117 O ILE A 161 0.088 -10.601 4.847 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.384 -12.295 6.005 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.520 -12.159 4.485 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.771 -12.200 6.635 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.230 -13.393 3.918 1.00 0.00 C ATOM 0 H ILE A 161 -2.526 -9.711 5.394 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.364 -11.323 7.634 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.929 -13.257 6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -3.083 -11.259 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.535 -12.053 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.405 -12.994 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.687 -12.306 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.213 -11.232 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.325 -13.293 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -2.649 -14.286 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.221 -13.479 4.363 1.00 0.00 H new ATOM 1133 N LYS A 162 0.808 -11.940 6.435 1.00 0.00 N ATOM 1134 CA LYS A 162 2.162 -12.032 5.817 1.00 0.00 C ATOM 1135 C LYS A 162 2.157 -13.158 4.774 1.00 0.00 C ATOM 1136 O LYS A 162 1.464 -14.145 4.927 1.00 0.00 O ATOM 1137 CB LYS A 162 3.191 -12.336 6.910 1.00 0.00 C ATOM 1138 CG LYS A 162 4.608 -12.110 6.375 1.00 0.00 C ATOM 1139 CD LYS A 162 4.861 -10.609 6.173 1.00 0.00 C ATOM 1140 CE LYS A 162 6.365 -10.351 6.071 1.00 0.00 C ATOM 1141 NZ LYS A 162 6.948 -10.248 7.437 1.00 0.00 N ATOM 0 H LYS A 162 0.689 -12.473 7.296 1.00 0.00 H new ATOM 0 HA LYS A 162 2.421 -11.091 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.014 -11.697 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.081 -13.367 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.338 -12.519 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.738 -12.639 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.361 -10.264 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.441 -10.044 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.846 -11.159 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.550 -9.431 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.971 -10.073 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.497 -9.463 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.784 -11.136 7.952 1.00 0.00 H new ATOM 1155 N VAL A 163 2.910 -13.016 3.708 1.00 0.00 N ATOM 1156 CA VAL A 163 2.928 -14.082 2.653 1.00 0.00 C ATOM 1157 C VAL A 163 4.335 -14.665 2.496 1.00 0.00 C ATOM 1158 O VAL A 163 5.269 -13.966 2.160 1.00 0.00 O ATOM 1159 CB VAL A 163 2.521 -13.474 1.313 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.492 -14.566 0.241 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.136 -12.831 1.427 1.00 0.00 C ATOM 0 H VAL A 163 3.510 -12.212 3.523 1.00 0.00 H new ATOM 0 HA VAL A 163 2.236 -14.869 2.952 1.00 0.00 H new ATOM 0 HB VAL A 163 3.247 -12.710 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.201 -14.130 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.482 -15.013 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.772 -15.334 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.855 -12.400 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.406 -13.588 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.160 -12.046 2.183 1.00 0.00 H new ATOM 1171 N HIS A 164 4.492 -15.944 2.702 1.00 0.00 N ATOM 1172 CA HIS A 164 5.840 -16.557 2.525 1.00 0.00 C ATOM 1173 C HIS A 164 6.093 -16.799 1.029 1.00 0.00 C ATOM 1174 O HIS A 164 5.513 -17.685 0.431 1.00 0.00 O ATOM 1175 CB HIS A 164 5.918 -17.889 3.277 1.00 0.00 C ATOM 1176 CG HIS A 164 7.167 -18.617 2.859 1.00 0.00 C ATOM 1177 ND1 HIS A 164 8.365 -17.955 2.620 1.00 0.00 N ATOM 1178 CD2 HIS A 164 7.418 -19.944 2.613 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.272 -18.877 2.247 1.00 0.00 C ATOM 1180 NE2 HIS A 164 8.745 -20.102 2.227 1.00 0.00 N ATOM 0 H HIS A 164 3.752 -16.587 2.983 1.00 0.00 H new ATOM 0 HA HIS A 164 6.596 -15.881 2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 164 5.927 -17.714 4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.039 -18.495 3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 164 6.696 -20.742 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 164 10.298 -18.653 1.995 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.216 -20.972 1.980 1.00 0.00 H new ATOM 1189 N ASN A 165 6.956 -16.026 0.425 1.00 0.00 N ATOM 1190 CA ASN A 165 7.250 -16.217 -1.028 1.00 0.00 C ATOM 1191 C ASN A 165 7.981 -17.553 -1.227 1.00 0.00 C ATOM 1192 O ASN A 165 8.945 -17.844 -0.546 1.00 0.00 O ATOM 1193 CB ASN A 165 8.126 -15.057 -1.514 1.00 0.00 C ATOM 1194 CG ASN A 165 8.416 -15.205 -3.007 1.00 0.00 C ATOM 1195 OD1 ASN A 165 8.556 -16.303 -3.507 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.513 -14.132 -3.745 1.00 0.00 N ATOM 0 H ASN A 165 7.471 -15.269 0.875 1.00 0.00 H new ATOM 0 HA ASN A 165 6.323 -16.233 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.623 -14.108 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 165 9.061 -15.039 -0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.707 -14.215 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 165 8.395 -13.211 -3.323 1.00 0.00 H new ATOM 1203 N GLU A 166 7.534 -18.371 -2.149 1.00 0.00 N ATOM 1204 CA GLU A 166 8.211 -19.687 -2.372 1.00 0.00 C ATOM 1205 C GLU A 166 9.628 -19.454 -2.888 1.00 0.00 C ATOM 1206 O GLU A 166 10.522 -20.237 -2.641 1.00 0.00 O ATOM 1207 CB GLU A 166 7.453 -20.494 -3.429 1.00 0.00 C ATOM 1208 CG GLU A 166 6.035 -20.798 -2.953 1.00 0.00 C ATOM 1209 CD GLU A 166 5.295 -21.579 -4.041 1.00 0.00 C ATOM 1210 OE1 GLU A 166 4.937 -20.970 -5.037 1.00 0.00 O ATOM 1211 OE2 GLU A 166 5.096 -22.769 -3.861 1.00 0.00 O ATOM 0 H GLU A 166 6.734 -18.186 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 166 8.231 -20.229 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.417 -19.936 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.982 -21.425 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 166 6.065 -21.377 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 166 5.507 -19.871 -2.731 1.00 0.00 H new ATOM 1218 N ALA A 167 9.830 -18.396 -3.619 1.00 0.00 N ATOM 1219 CA ALA A 167 11.181 -18.116 -4.174 1.00 0.00 C ATOM 1220 C ALA A 167 12.186 -17.925 -3.036 1.00 0.00 C ATOM 1221 O ALA A 167 12.810 -16.890 -2.912 1.00 0.00 O ATOM 1222 CB ALA A 167 11.120 -16.854 -5.031 1.00 0.00 C ATOM 0 H ALA A 167 9.114 -17.710 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 167 11.503 -18.958 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.108 -16.644 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.413 -17.002 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.795 -16.013 -4.418 1.00 0.00 H new ATOM 1271 N SER A 171 11.069 -10.855 -0.915 1.00 0.00 N ATOM 1272 CA SER A 171 10.228 -9.823 -0.248 1.00 0.00 C ATOM 1273 C SER A 171 8.846 -10.432 -0.021 1.00 0.00 C ATOM 1274 O SER A 171 8.121 -10.716 -0.953 1.00 0.00 O ATOM 1275 CB SER A 171 10.118 -8.587 -1.143 1.00 0.00 C ATOM 1276 OG SER A 171 11.422 -8.086 -1.406 1.00 0.00 O ATOM 0 HA SER A 171 10.670 -9.518 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.618 -8.842 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 171 9.513 -7.823 -0.656 1.00 0.00 H new ATOM 0 HG SER A 171 12.043 -8.835 -1.520 1.00 0.00 H new ATOM 1282 N SER A 172 8.487 -10.661 1.209 1.00 0.00 N ATOM 1283 CA SER A 172 7.165 -11.285 1.490 1.00 0.00 C ATOM 1284 C SER A 172 6.044 -10.416 0.921 1.00 0.00 C ATOM 1285 O SER A 172 6.088 -9.204 0.977 1.00 0.00 O ATOM 1286 CB SER A 172 6.990 -11.432 3.000 1.00 0.00 C ATOM 1287 OG SER A 172 8.274 -11.535 3.605 1.00 0.00 O ATOM 0 H SER A 172 9.050 -10.444 2.031 1.00 0.00 H new ATOM 0 HA SER A 172 7.121 -12.267 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 172 6.451 -10.574 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.395 -12.317 3.226 1.00 0.00 H new ATOM 0 HG SER A 172 8.290 -12.307 4.208 1.00 0.00 H new ATOM 1293 N TRP A 173 5.044 -11.040 0.366 1.00 0.00 N ATOM 1294 CA TRP A 173 3.909 -10.280 -0.223 1.00 0.00 C ATOM 1295 C TRP A 173 2.884 -9.949 0.864 1.00 0.00 C ATOM 1296 O TRP A 173 2.687 -10.700 1.798 1.00 0.00 O ATOM 1297 CB TRP A 173 3.252 -11.143 -1.298 1.00 0.00 C ATOM 1298 CG TRP A 173 4.313 -11.704 -2.186 1.00 0.00 C ATOM 1299 CD1 TRP A 173 5.106 -12.762 -1.900 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.707 -11.240 -3.497 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.964 -12.974 -2.967 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.753 -12.058 -3.977 1.00 0.00 C ATOM 1303 CE3 TRP A 173 4.253 -10.196 -4.302 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 6.332 -11.840 -5.228 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.828 -9.967 -5.564 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.868 -10.791 -6.026 1.00 0.00 C ATOM 0 H TRP A 173 4.964 -12.054 0.295 1.00 0.00 H new ATOM 0 HA TRP A 173 4.274 -9.350 -0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.682 -11.949 -0.837 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.549 -10.548 -1.881 1.00 0.00 H new ATOM 0 HD1 TRP A 173 5.075 -13.345 -0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.664 -13.715 -3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 173 3.454 -9.559 -3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 7.132 -12.477 -5.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 4.469 -9.156 -6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 173 6.308 -10.614 -6.996 1.00 0.00 H new ATOM 1317 N TRP A 174 2.229 -8.827 0.749 1.00 0.00 N ATOM 1318 CA TRP A 174 1.213 -8.441 1.769 1.00 0.00 C ATOM 1319 C TRP A 174 -0.195 -8.667 1.207 1.00 0.00 C ATOM 1320 O TRP A 174 -0.490 -8.307 0.083 1.00 0.00 O ATOM 1321 CB TRP A 174 1.376 -6.958 2.112 1.00 0.00 C ATOM 1322 CG TRP A 174 2.586 -6.753 2.970 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.773 -6.277 2.531 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.747 -6.999 4.400 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.651 -6.211 3.597 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.066 -6.644 4.771 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.886 -7.486 5.402 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.517 -6.771 6.086 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.338 -7.614 6.727 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.651 -7.255 7.068 1.00 0.00 C ATOM 0 H TRP A 174 2.354 -8.158 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 174 1.354 -9.049 2.663 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.468 -6.374 1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.488 -6.598 2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 174 3.999 -5.994 1.513 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.614 -5.882 3.525 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.873 -7.763 5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.530 -6.496 6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.670 -7.991 7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 174 3.991 -7.353 8.088 1.00 0.00 H new ATOM 1341 N MET A 175 -1.071 -9.236 1.990 1.00 0.00 N ATOM 1342 CA MET A 175 -2.472 -9.463 1.520 1.00 0.00 C ATOM 1343 C MET A 175 -3.425 -9.057 2.641 1.00 0.00 C ATOM 1344 O MET A 175 -3.071 -9.076 3.803 1.00 0.00 O ATOM 1345 CB MET A 175 -2.699 -10.947 1.196 1.00 0.00 C ATOM 1346 CG MET A 175 -2.121 -11.293 -0.183 1.00 0.00 C ATOM 1347 SD MET A 175 -3.168 -12.539 -0.979 1.00 0.00 S ATOM 1348 CE MET A 175 -2.955 -13.846 0.253 1.00 0.00 C ATOM 0 H MET A 175 -0.878 -9.555 2.939 1.00 0.00 H new ATOM 0 HA MET A 175 -2.649 -8.874 0.620 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.229 -11.567 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.766 -11.170 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.068 -10.398 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 175 -1.103 -11.670 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 175 -2.718 -14.784 -0.249 1.00 0.00 H new ATOM 0 HE2 MET A 175 -2.142 -13.580 0.928 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.877 -13.962 0.823 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.637 -8.709 2.316 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.597 -8.336 3.385 1.00 0.00 C ATOM 1360 C LEU A 176 -5.968 -9.616 4.129 1.00 0.00 C ATOM 1361 O LEU A 176 -5.556 -10.692 3.746 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.850 -7.711 2.767 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.460 -6.560 1.830 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.727 -5.952 1.214 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.710 -5.479 2.614 1.00 0.00 C ATOM 0 H LEU A 176 -5.001 -8.667 1.364 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.154 -7.608 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.408 -8.467 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.508 -7.342 3.554 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.814 -6.945 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.451 -5.134 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.260 -6.717 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.371 -5.573 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.437 -4.666 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.351 -5.094 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.808 -5.907 3.052 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.727 -9.520 5.188 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.106 -10.752 5.947 1.00 0.00 C ATOM 1379 C ASN A 177 -7.335 -11.907 4.957 1.00 0.00 C ATOM 1380 O ASN A 177 -7.488 -11.686 3.772 1.00 0.00 O ATOM 1381 CB ASN A 177 -8.388 -10.475 6.746 1.00 0.00 C ATOM 1382 CG ASN A 177 -8.236 -10.990 8.180 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -9.144 -11.592 8.720 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -7.116 -10.784 8.821 1.00 0.00 N ATOM 0 H ASN A 177 -7.100 -8.647 5.561 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.308 -11.029 6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -8.596 -9.405 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -9.237 -10.960 6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -7.003 -11.128 9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -6.354 -10.279 8.368 1.00 0.00 H new