USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 17 MET CE :methyl 175:sc= -0.712 (180deg=-0.754) USER MOD Set 1.2: A 62 TYR OH : rot -63:sc= -3.88! USER MOD Set 2.1: A 18 MET CE :methyl 178:sc= -0.476 (180deg=-0.49) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.033) USER MOD Single : A 11 GLN : amide:sc= -1.13 K(o=-1.1,f=-8.2!) USER MOD Single : A 15 SER OG : rot -88:sc= 0.588 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.108 F(o=-1.6!,f=-0.11) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.708 X(o=-0.71,f=-0.47) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.2 K(o=1.2,f=-0.55) USER MOD Single : A 51 CYS SG : rot 162:sc= -1.2! USER MOD Single : A 56 THR OG1 : rot -33:sc= 0.647 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0.822 (180deg=0.485) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.4) USER MOD Single : A 76 SER OG : rot -25:sc= 0.35 USER MOD Single : A 77 SER OG : rot -134:sc= -0.535! USER MOD Single : A 81 SER OG : rot -35:sc= 0.463 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.555 -5.644 6.469 1.00 0.00 N ATOM 93 CA TYR A 7 7.326 -4.922 6.722 1.00 0.00 C ATOM 94 C TYR A 7 6.220 -5.913 7.091 1.00 0.00 C ATOM 95 O TYR A 7 6.344 -7.114 6.855 1.00 0.00 O ATOM 96 CB TYR A 7 6.962 -4.082 5.481 1.00 0.00 C ATOM 97 CG TYR A 7 6.465 -4.886 4.297 1.00 0.00 C ATOM 98 CD1 TYR A 7 5.120 -5.186 4.193 1.00 0.00 C ATOM 99 CD2 TYR A 7 7.323 -5.341 3.290 1.00 0.00 C ATOM 100 CE1 TYR A 7 4.630 -5.914 3.130 1.00 0.00 C ATOM 101 CE2 TYR A 7 6.832 -6.073 2.223 1.00 0.00 C ATOM 102 CZ TYR A 7 5.484 -6.355 2.153 1.00 0.00 C ATOM 103 OH TYR A 7 4.983 -7.085 1.104 1.00 0.00 O ATOM 0 HA TYR A 7 7.451 -4.238 7.561 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.195 -3.360 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.839 -3.513 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.440 -4.844 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.378 -5.119 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.575 -6.136 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.501 -6.421 1.450 1.00 0.00 H new ATOM 0 HH TYR A 7 5.712 -7.324 0.494 1.00 0.00 H new ATOM 113 N GLN A 8 5.151 -5.411 7.678 1.00 0.00 N ATOM 114 CA GLN A 8 4.072 -6.249 8.158 1.00 0.00 C ATOM 115 C GLN A 8 2.739 -5.640 7.758 1.00 0.00 C ATOM 116 O GLN A 8 2.426 -4.505 8.114 1.00 0.00 O ATOM 117 CB GLN A 8 4.150 -6.403 9.678 1.00 0.00 C ATOM 118 CG GLN A 8 3.850 -7.813 10.174 1.00 0.00 C ATOM 119 CD GLN A 8 2.516 -8.350 9.687 1.00 0.00 C ATOM 120 OE1 GLN A 8 1.482 -8.146 10.324 1.00 0.00 O ATOM 121 NE2 GLN A 8 2.535 -9.054 8.562 1.00 0.00 N ATOM 0 H GLN A 8 5.007 -4.413 7.835 1.00 0.00 H new ATOM 0 HA GLN A 8 4.164 -7.238 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.147 -6.116 10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.448 -5.709 10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.645 -8.483 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.859 -7.817 11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.414 -9.199 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.670 -9.450 8.194 1.00 0.00 H new ATOM 130 N ILE A 9 1.983 -6.397 7.001 1.00 0.00 N ATOM 131 CA ILE A 9 0.689 -5.973 6.504 1.00 0.00 C ATOM 132 C ILE A 9 -0.422 -6.346 7.481 1.00 0.00 C ATOM 133 O ILE A 9 -0.577 -7.507 7.858 1.00 0.00 O ATOM 134 CB ILE A 9 0.440 -6.596 5.116 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.368 -5.929 4.107 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.008 -6.477 4.686 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.204 -6.415 2.690 1.00 0.00 C ATOM 0 H ILE A 9 2.249 -7.337 6.707 1.00 0.00 H new ATOM 0 HA ILE A 9 0.686 -4.887 6.408 1.00 0.00 H new ATOM 0 HB ILE A 9 0.655 -7.663 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.196 -4.853 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.400 -6.094 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.134 -6.930 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.645 -6.991 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.288 -5.425 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.903 -5.887 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.406 -7.485 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.184 -6.225 2.356 1.00 0.00 H new ATOM 149 N GLU A 10 -1.175 -5.345 7.898 1.00 0.00 N ATOM 150 CA GLU A 10 -2.228 -5.523 8.878 1.00 0.00 C ATOM 151 C GLU A 10 -3.575 -5.076 8.315 1.00 0.00 C ATOM 152 O GLU A 10 -3.654 -4.526 7.212 1.00 0.00 O ATOM 153 CB GLU A 10 -1.880 -4.714 10.125 1.00 0.00 C ATOM 154 CG GLU A 10 -2.002 -3.209 9.939 1.00 0.00 C ATOM 155 CD GLU A 10 -1.604 -2.435 11.177 1.00 0.00 C ATOM 156 OE1 GLU A 10 -0.401 -2.148 11.343 1.00 0.00 O ATOM 157 OE2 GLU A 10 -2.493 -2.121 11.998 1.00 0.00 O ATOM 0 H GLU A 10 -1.073 -4.386 7.566 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.309 -6.580 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.534 -5.023 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.860 -4.951 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.375 -2.898 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.030 -2.961 9.675 1.00 0.00 H new ATOM 164 N GLN A 11 -4.632 -5.304 9.080 1.00 0.00 N ATOM 165 CA GLN A 11 -5.967 -4.924 8.661 1.00 0.00 C ATOM 166 C GLN A 11 -6.337 -3.563 9.225 1.00 0.00 C ATOM 167 O GLN A 11 -6.099 -3.265 10.395 1.00 0.00 O ATOM 168 CB GLN A 11 -6.985 -5.991 9.083 1.00 0.00 C ATOM 169 CG GLN A 11 -8.440 -5.594 8.843 1.00 0.00 C ATOM 170 CD GLN A 11 -8.703 -5.119 7.423 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.558 -4.270 7.187 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.965 -5.651 6.469 1.00 0.00 N ATOM 0 H GLN A 11 -4.588 -5.751 9.996 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.983 -4.852 7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.776 -6.912 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.849 -6.209 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.083 -6.447 9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.714 -4.803 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.263 -6.354 6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.096 -5.359 5.500 1.00 0.00 H new ATOM 181 N LEU A 12 -6.916 -2.747 8.359 1.00 0.00 N ATOM 182 CA LEU A 12 -7.276 -1.382 8.689 1.00 0.00 C ATOM 183 C LEU A 12 -8.597 -1.347 9.455 1.00 0.00 C ATOM 184 O LEU A 12 -8.729 -0.645 10.459 1.00 0.00 O ATOM 185 CB LEU A 12 -7.397 -0.585 7.396 1.00 0.00 C ATOM 186 CG LEU A 12 -7.132 0.916 7.494 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.636 1.311 8.877 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.112 1.304 6.448 1.00 0.00 C ATOM 0 H LEU A 12 -7.150 -3.016 7.403 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.506 -0.944 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.704 -1.007 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.402 -0.729 6.999 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.069 1.445 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.459 2.386 8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.386 1.046 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.707 0.784 9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.916 2.374 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.186 0.755 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.497 1.063 5.457 1.00 0.00 H new ATOM 200 N GLY A 13 -9.568 -2.112 8.978 1.00 0.00 N ATOM 201 CA GLY A 13 -10.868 -2.138 9.612 1.00 0.00 C ATOM 202 C GLY A 13 -11.777 -3.196 9.023 1.00 0.00 C ATOM 203 O GLY A 13 -12.005 -4.243 9.635 1.00 0.00 O ATOM 0 H GLY A 13 -9.477 -2.716 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.745 -2.322 10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.339 -1.160 9.509 1.00 0.00 H new ATOM 207 N ASP A 14 -12.285 -2.936 7.828 1.00 0.00 N ATOM 208 CA ASP A 14 -13.215 -3.848 7.176 1.00 0.00 C ATOM 209 C ASP A 14 -12.745 -4.201 5.769 1.00 0.00 C ATOM 210 O ASP A 14 -12.655 -5.375 5.403 1.00 0.00 O ATOM 211 CB ASP A 14 -14.606 -3.218 7.112 1.00 0.00 C ATOM 212 CG ASP A 14 -15.613 -4.081 6.375 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.271 -4.921 7.028 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.766 -3.910 5.147 1.00 0.00 O ATOM 0 H ASP A 14 -12.069 -2.098 7.288 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.257 -4.765 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.964 -3.036 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.537 -2.248 6.620 1.00 0.00 H new ATOM 219 N SER A 15 -12.423 -3.179 4.994 1.00 0.00 N ATOM 220 CA SER A 15 -12.111 -3.359 3.584 1.00 0.00 C ATOM 221 C SER A 15 -11.026 -2.387 3.138 1.00 0.00 C ATOM 222 O SER A 15 -11.089 -1.802 2.056 1.00 0.00 O ATOM 223 CB SER A 15 -13.382 -3.179 2.758 1.00 0.00 C ATOM 224 OG SER A 15 -14.226 -2.192 3.336 1.00 0.00 O ATOM 0 H SER A 15 -12.370 -2.213 5.317 1.00 0.00 H new ATOM 0 HA SER A 15 -11.727 -4.367 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.121 -2.890 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.916 -4.127 2.693 1.00 0.00 H new ATOM 0 HG SER A 15 -14.815 -2.612 3.998 1.00 0.00 H new ATOM 230 N ALA A 16 -10.039 -2.216 3.995 1.00 0.00 N ATOM 231 CA ALA A 16 -8.887 -1.384 3.705 1.00 0.00 C ATOM 232 C ALA A 16 -7.660 -2.021 4.327 1.00 0.00 C ATOM 233 O ALA A 16 -7.781 -2.811 5.266 1.00 0.00 O ATOM 234 CB ALA A 16 -9.095 0.030 4.232 1.00 0.00 C ATOM 0 H ALA A 16 -10.013 -2.652 4.917 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.750 -1.310 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.218 0.636 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.973 0.469 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.242 -0.002 5.312 1.00 0.00 H new ATOM 240 N MET A 17 -6.486 -1.701 3.817 1.00 0.00 N ATOM 241 CA MET A 17 -5.275 -2.340 4.317 1.00 0.00 C ATOM 242 C MET A 17 -4.261 -1.320 4.821 1.00 0.00 C ATOM 243 O MET A 17 -4.157 -0.214 4.294 1.00 0.00 O ATOM 244 CB MET A 17 -4.657 -3.238 3.235 1.00 0.00 C ATOM 245 CG MET A 17 -3.329 -2.746 2.679 1.00 0.00 C ATOM 246 SD MET A 17 -2.434 -4.027 1.773 1.00 0.00 S ATOM 247 CE MET A 17 -3.653 -4.486 0.547 1.00 0.00 C ATOM 0 H MET A 17 -6.341 -1.018 3.073 1.00 0.00 H new ATOM 0 HA MET A 17 -5.556 -2.961 5.168 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.514 -4.236 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.366 -3.333 2.413 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.508 -1.898 2.018 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.708 -2.386 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.218 -5.206 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.516 -4.933 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.969 -3.599 -0.002 1.00 0.00 H new ATOM 257 N MET A 18 -3.527 -1.694 5.855 1.00 0.00 N ATOM 258 CA MET A 18 -2.444 -0.864 6.353 1.00 0.00 C ATOM 259 C MET A 18 -1.166 -1.683 6.437 1.00 0.00 C ATOM 260 O MET A 18 -1.159 -2.792 6.960 1.00 0.00 O ATOM 261 CB MET A 18 -2.779 -0.263 7.716 1.00 0.00 C ATOM 262 CG MET A 18 -1.616 0.496 8.334 1.00 0.00 C ATOM 263 SD MET A 18 -2.025 1.268 9.910 1.00 0.00 S ATOM 264 CE MET A 18 -3.126 2.575 9.368 1.00 0.00 C ATOM 0 H MET A 18 -3.661 -2.567 6.366 1.00 0.00 H new ATOM 0 HA MET A 18 -2.301 -0.038 5.656 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.630 0.410 7.611 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.086 -1.060 8.393 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.780 -0.189 8.479 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.281 1.264 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.494 3.123 10.235 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.586 3.256 8.710 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.968 2.141 8.828 1.00 0.00 H new ATOM 274 N ILE A 19 -0.097 -1.140 5.904 1.00 0.00 N ATOM 275 CA ILE A 19 1.175 -1.836 5.869 1.00 0.00 C ATOM 276 C ILE A 19 2.202 -1.129 6.737 1.00 0.00 C ATOM 277 O ILE A 19 2.457 0.058 6.573 1.00 0.00 O ATOM 278 CB ILE A 19 1.704 -1.935 4.427 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.687 -2.645 3.545 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.018 -2.689 4.390 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.646 -2.105 2.135 1.00 0.00 C ATOM 0 H ILE A 19 -0.080 -0.210 5.484 1.00 0.00 H new ATOM 0 HA ILE A 19 1.012 -2.841 6.258 1.00 0.00 H new ATOM 0 HB ILE A 19 1.867 -0.924 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.922 -3.709 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.302 -2.550 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.375 -2.748 3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.755 -2.167 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.871 -3.696 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.098 -2.653 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.382 -1.048 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.625 -2.224 1.671 1.00 0.00 H new ATOM 293 N ARG A 20 2.779 -1.863 7.662 1.00 0.00 N ATOM 294 CA ARG A 20 3.801 -1.334 8.537 1.00 0.00 C ATOM 295 C ARG A 20 5.168 -1.768 8.044 1.00 0.00 C ATOM 296 O ARG A 20 5.490 -2.942 8.088 1.00 0.00 O ATOM 297 CB ARG A 20 3.560 -1.846 9.957 1.00 0.00 C ATOM 298 CG ARG A 20 4.822 -1.931 10.796 1.00 0.00 C ATOM 299 CD ARG A 20 4.947 -3.288 11.464 1.00 0.00 C ATOM 300 NE ARG A 20 3.781 -3.613 12.271 1.00 0.00 N ATOM 301 CZ ARG A 20 3.750 -3.532 13.604 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.818 -3.110 14.274 1.00 0.00 N ATOM 303 NH2 ARG A 20 2.647 -3.856 14.264 1.00 0.00 N ATOM 0 H ARG A 20 2.553 -2.844 7.829 1.00 0.00 H new ATOM 0 HA ARG A 20 3.760 -0.245 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.847 -1.189 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.101 -2.833 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.693 -1.751 10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.811 -1.149 11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.084 -4.055 10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.837 -3.301 12.093 1.00 0.00 H new ATOM 0 HE ARG A 20 2.936 -3.921 11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.665 -2.847 13.770 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.790 -3.049 15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.820 -4.168 13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.625 -3.794 15.282 1.00 0.00 H new ATOM 317 N PHE A 21 5.963 -0.841 7.563 1.00 0.00 N ATOM 318 CA PHE A 21 7.297 -1.182 7.106 1.00 0.00 C ATOM 319 C PHE A 21 8.255 -1.346 8.275 1.00 0.00 C ATOM 320 O PHE A 21 7.857 -1.285 9.440 1.00 0.00 O ATOM 321 CB PHE A 21 7.831 -0.125 6.158 1.00 0.00 C ATOM 322 CG PHE A 21 7.441 -0.304 4.729 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.257 0.196 4.258 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.291 -0.948 3.851 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.920 0.060 2.934 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.957 -1.095 2.522 1.00 0.00 C ATOM 327 CZ PHE A 21 6.765 -0.590 2.061 1.00 0.00 C ATOM 0 H PHE A 21 5.717 0.145 7.477 1.00 0.00 H new ATOM 0 HA PHE A 21 7.225 -2.132 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.483 0.852 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.919 -0.116 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.583 0.702 4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.230 -1.342 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.986 0.465 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.628 -1.604 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.492 -0.702 1.022 1.00 0.00 H new ATOM 422 N GLN A 28 15.676 1.639 3.311 1.00 0.00 N ATOM 423 CA GLN A 28 14.823 1.615 2.122 1.00 0.00 C ATOM 424 C GLN A 28 13.357 1.861 2.450 1.00 0.00 C ATOM 425 O GLN A 28 12.580 2.231 1.574 1.00 0.00 O ATOM 426 CB GLN A 28 14.980 0.299 1.370 1.00 0.00 C ATOM 427 CG GLN A 28 16.042 0.369 0.292 1.00 0.00 C ATOM 428 CD GLN A 28 15.558 1.047 -0.980 1.00 0.00 C ATOM 429 OE1 GLN A 28 14.276 0.907 -1.283 1.00 0.00 O flip ATOM 430 NE2 GLN A 28 16.335 1.680 -1.692 1.00 0.00 N flip ATOM 0 HA GLN A 28 15.154 2.434 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.236 -0.491 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.026 0.026 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.907 0.908 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.376 -0.641 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.316 1.766 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.999 2.119 -2.549 1.00 0.00 H new ATOM 439 N VAL A 29 12.975 1.662 3.702 1.00 0.00 N ATOM 440 CA VAL A 29 11.607 1.938 4.117 1.00 0.00 C ATOM 441 C VAL A 29 11.276 3.414 3.950 1.00 0.00 C ATOM 442 O VAL A 29 10.336 3.764 3.245 1.00 0.00 O ATOM 443 CB VAL A 29 11.330 1.507 5.576 1.00 0.00 C ATOM 444 CG1 VAL A 29 12.472 1.886 6.501 1.00 0.00 C ATOM 445 CG2 VAL A 29 10.036 2.131 6.074 1.00 0.00 C ATOM 0 H VAL A 29 13.585 1.314 4.442 1.00 0.00 H new ATOM 0 HA VAL A 29 10.964 1.344 3.467 1.00 0.00 H new ATOM 0 HB VAL A 29 11.237 0.421 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.239 1.566 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.388 1.397 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.611 2.967 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.854 1.819 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.117 3.217 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.209 1.805 5.444 1.00 0.00 H new ATOM 455 N ASN A 30 12.075 4.268 4.572 1.00 0.00 N ATOM 456 CA ASN A 30 11.844 5.705 4.544 1.00 0.00 C ATOM 457 C ASN A 30 11.818 6.224 3.107 1.00 0.00 C ATOM 458 O ASN A 30 11.121 7.189 2.798 1.00 0.00 O ATOM 459 CB ASN A 30 12.918 6.421 5.379 1.00 0.00 C ATOM 460 CG ASN A 30 13.765 7.395 4.578 1.00 0.00 C ATOM 461 OD1 ASN A 30 13.432 8.574 4.455 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.871 6.908 4.035 1.00 0.00 N ATOM 0 H ASN A 30 12.897 3.987 5.107 1.00 0.00 H new ATOM 0 HA ASN A 30 10.869 5.916 4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.433 6.959 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.570 5.675 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.483 7.516 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.111 5.925 4.161 1.00 0.00 H new ATOM 469 N GLY A 31 12.547 5.552 2.225 1.00 0.00 N ATOM 470 CA GLY A 31 12.612 5.981 0.846 1.00 0.00 C ATOM 471 C GLY A 31 11.526 5.374 -0.021 1.00 0.00 C ATOM 472 O GLY A 31 11.257 5.866 -1.115 1.00 0.00 O ATOM 0 H GLY A 31 13.093 4.718 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.534 7.068 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.586 5.716 0.435 1.00 0.00 H new ATOM 476 N ILE A 32 10.876 4.323 0.461 1.00 0.00 N ATOM 477 CA ILE A 32 9.909 3.617 -0.366 1.00 0.00 C ATOM 478 C ILE A 32 8.490 3.723 0.182 1.00 0.00 C ATOM 479 O ILE A 32 7.545 3.627 -0.576 1.00 0.00 O ATOM 480 CB ILE A 32 10.307 2.128 -0.583 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.300 1.783 -2.088 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.403 1.174 0.193 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.943 1.909 -2.773 1.00 0.00 C ATOM 0 H ILE A 32 10.997 3.947 1.401 1.00 0.00 H new ATOM 0 HA ILE A 32 9.922 4.112 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 32 11.318 2.000 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.009 2.435 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.659 0.762 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.718 0.146 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.473 1.392 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.372 1.301 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.041 1.646 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.231 1.236 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.586 2.935 -2.687 1.00 0.00 H new ATOM 495 N VAL A 33 8.321 3.946 1.479 1.00 0.00 N ATOM 496 CA VAL A 33 6.974 4.053 2.039 1.00 0.00 C ATOM 497 C VAL A 33 6.225 5.227 1.404 1.00 0.00 C ATOM 498 O VAL A 33 5.019 5.155 1.166 1.00 0.00 O ATOM 499 CB VAL A 33 6.984 4.192 3.577 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.821 5.372 4.014 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.571 4.310 4.118 1.00 0.00 C ATOM 0 H VAL A 33 9.079 4.055 2.153 1.00 0.00 H new ATOM 0 HA VAL A 33 6.455 3.124 1.804 1.00 0.00 H new ATOM 0 HB VAL A 33 7.435 3.289 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.809 5.444 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.847 5.238 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.412 6.287 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.604 4.407 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.090 5.189 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.003 3.419 3.850 1.00 0.00 H new ATOM 511 N HIS A 34 6.952 6.294 1.090 1.00 0.00 N ATOM 512 CA HIS A 34 6.350 7.441 0.425 1.00 0.00 C ATOM 513 C HIS A 34 6.145 7.139 -1.058 1.00 0.00 C ATOM 514 O HIS A 34 5.184 7.598 -1.666 1.00 0.00 O ATOM 515 CB HIS A 34 7.197 8.718 0.620 1.00 0.00 C ATOM 516 CG HIS A 34 8.500 8.759 -0.133 1.00 0.00 C ATOM 517 ND1 HIS A 34 8.598 9.136 -1.457 1.00 0.00 N ATOM 518 CD2 HIS A 34 9.765 8.501 0.271 1.00 0.00 C ATOM 519 CE1 HIS A 34 9.863 9.102 -1.831 1.00 0.00 C ATOM 520 NE2 HIS A 34 10.592 8.721 -0.801 1.00 0.00 N ATOM 0 H HIS A 34 7.949 6.388 1.283 1.00 0.00 H new ATOM 0 HA HIS A 34 5.378 7.628 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.598 9.578 0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.409 8.832 1.683 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.068 8.181 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.238 9.345 -2.814 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.606 8.608 -0.801 1.00 0.00 H new ATOM 529 N ALA A 35 7.037 6.333 -1.621 1.00 0.00 N ATOM 530 CA ALA A 35 7.002 6.018 -3.042 1.00 0.00 C ATOM 531 C ALA A 35 6.051 4.862 -3.334 1.00 0.00 C ATOM 532 O ALA A 35 5.603 4.691 -4.461 1.00 0.00 O ATOM 533 CB ALA A 35 8.402 5.701 -3.543 1.00 0.00 C ATOM 0 H ALA A 35 7.797 5.884 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 35 6.627 6.893 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.363 5.467 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.049 6.564 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.799 4.845 -2.997 1.00 0.00 H new ATOM 539 N ALA A 36 5.757 4.069 -2.312 1.00 0.00 N ATOM 540 CA ALA A 36 4.877 2.914 -2.444 1.00 0.00 C ATOM 541 C ALA A 36 3.459 3.345 -2.757 1.00 0.00 C ATOM 542 O ALA A 36 2.733 2.650 -3.465 1.00 0.00 O ATOM 543 CB ALA A 36 4.906 2.078 -1.177 1.00 0.00 C ATOM 0 H ALA A 36 6.121 4.207 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 36 5.239 2.307 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.244 1.220 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.923 1.730 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.572 2.683 -0.334 1.00 0.00 H new ATOM 549 N ALA A 37 3.073 4.506 -2.242 1.00 0.00 N ATOM 550 CA ALA A 37 1.773 5.067 -2.541 1.00 0.00 C ATOM 551 C ALA A 37 1.689 5.322 -4.028 1.00 0.00 C ATOM 552 O ALA A 37 0.685 5.031 -4.678 1.00 0.00 O ATOM 553 CB ALA A 37 1.565 6.360 -1.769 1.00 0.00 C ATOM 0 H ALA A 37 3.645 5.073 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 37 0.992 4.368 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.583 6.770 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.628 6.159 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.335 7.079 -2.049 1.00 0.00 H new ATOM 559 N ALA A 38 2.792 5.823 -4.560 1.00 0.00 N ATOM 560 CA ALA A 38 2.898 6.102 -5.972 1.00 0.00 C ATOM 561 C ALA A 38 3.038 4.813 -6.767 1.00 0.00 C ATOM 562 O ALA A 38 2.487 4.689 -7.856 1.00 0.00 O ATOM 563 CB ALA A 38 4.065 7.034 -6.251 1.00 0.00 C ATOM 0 H ALA A 38 3.631 6.045 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 38 1.982 6.600 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.126 7.231 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.916 7.973 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.991 6.568 -5.914 1.00 0.00 H new ATOM 569 N TYR A 39 3.763 3.852 -6.201 1.00 0.00 N ATOM 570 CA TYR A 39 3.981 2.566 -6.853 1.00 0.00 C ATOM 571 C TYR A 39 2.641 1.868 -7.102 1.00 0.00 C ATOM 572 O TYR A 39 2.448 1.203 -8.117 1.00 0.00 O ATOM 573 CB TYR A 39 4.908 1.674 -6.013 1.00 0.00 C ATOM 574 CG TYR A 39 5.811 0.797 -6.855 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.348 0.209 -8.026 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.125 0.558 -6.481 1.00 0.00 C ATOM 577 CE1 TYR A 39 6.166 -0.584 -8.800 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.951 -0.236 -7.252 1.00 0.00 C ATOM 579 CZ TYR A 39 7.467 -0.805 -8.409 1.00 0.00 C ATOM 580 OH TYR A 39 8.289 -1.594 -9.182 1.00 0.00 O ATOM 0 H TYR A 39 4.211 3.941 -5.289 1.00 0.00 H new ATOM 0 HA TYR A 39 4.467 2.744 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.521 2.303 -5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.303 1.043 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.327 0.377 -8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.508 1.000 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.789 -1.030 -9.708 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.973 -0.410 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 39 9.175 -1.648 -8.767 1.00 0.00 H new ATOM 590 N ILE A 40 1.710 2.048 -6.172 1.00 0.00 N ATOM 591 CA ILE A 40 0.389 1.456 -6.285 1.00 0.00 C ATOM 592 C ILE A 40 -0.522 2.294 -7.181 1.00 0.00 C ATOM 593 O ILE A 40 -1.346 1.754 -7.913 1.00 0.00 O ATOM 594 CB ILE A 40 -0.253 1.306 -4.893 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.597 0.380 -4.029 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.679 0.776 -5.000 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.343 0.551 -2.553 1.00 0.00 C ATOM 0 H ILE A 40 1.850 2.603 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 40 0.507 0.472 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.298 2.290 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.396 -0.654 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.651 0.567 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.107 0.680 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.281 1.468 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.669 -0.200 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.978 -0.135 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.571 1.576 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.703 0.336 -2.337 1.00 0.00 H new ATOM 609 N GLU A 41 -0.371 3.613 -7.134 1.00 0.00 N ATOM 610 CA GLU A 41 -1.267 4.492 -7.878 1.00 0.00 C ATOM 611 C GLU A 41 -0.881 4.575 -9.358 1.00 0.00 C ATOM 612 O GLU A 41 -1.703 4.940 -10.197 1.00 0.00 O ATOM 613 CB GLU A 41 -1.306 5.890 -7.256 1.00 0.00 C ATOM 614 CG GLU A 41 -0.018 6.679 -7.406 1.00 0.00 C ATOM 615 CD GLU A 41 -0.160 8.110 -6.940 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.544 8.968 -7.763 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.106 8.389 -5.754 1.00 0.00 O ATOM 0 H GLU A 41 0.352 4.092 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.265 4.058 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.119 6.455 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.539 5.796 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.772 6.191 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.291 6.669 -8.451 1.00 0.00 H new ATOM 624 N GLU A 42 0.372 4.260 -9.680 1.00 0.00 N ATOM 625 CA GLU A 42 0.795 4.213 -11.076 1.00 0.00 C ATOM 626 C GLU A 42 0.380 2.887 -11.701 1.00 0.00 C ATOM 627 O GLU A 42 0.111 2.805 -12.900 1.00 0.00 O ATOM 628 CB GLU A 42 2.312 4.411 -11.216 1.00 0.00 C ATOM 629 CG GLU A 42 3.145 3.346 -10.520 1.00 0.00 C ATOM 630 CD GLU A 42 4.616 3.431 -10.871 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.315 4.312 -10.328 1.00 0.00 O ATOM 632 OE2 GLU A 42 5.080 2.616 -11.701 1.00 0.00 O ATOM 0 H GLU A 42 1.102 4.037 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 42 0.304 5.032 -11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.570 4.424 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.579 5.387 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.027 3.446 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.767 2.360 -10.792 1.00 0.00 H new ATOM 639 N GLN A 43 0.318 1.849 -10.878 1.00 0.00 N ATOM 640 CA GLN A 43 -0.063 0.523 -11.341 1.00 0.00 C ATOM 641 C GLN A 43 -1.222 -0.015 -10.491 1.00 0.00 C ATOM 642 O GLN A 43 -1.079 -1.017 -9.786 1.00 0.00 O ATOM 643 CB GLN A 43 1.147 -0.407 -11.272 1.00 0.00 C ATOM 644 CG GLN A 43 2.382 0.205 -11.910 1.00 0.00 C ATOM 645 CD GLN A 43 3.578 -0.713 -11.913 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.449 -1.936 -11.974 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.755 -0.125 -11.856 1.00 0.00 N ATOM 0 H GLN A 43 0.528 1.901 -9.881 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.400 0.577 -12.376 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.360 -0.646 -10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.910 -1.346 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.148 0.487 -12.937 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.639 1.121 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.815 0.892 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.606 -0.687 -11.861 1.00 0.00 H new ATOM 656 N PRO A 44 -2.394 0.642 -10.569 1.00 0.00 N ATOM 657 CA PRO A 44 -3.515 0.401 -9.668 1.00 0.00 C ATOM 658 C PRO A 44 -4.523 -0.617 -10.190 1.00 0.00 C ATOM 659 O PRO A 44 -4.320 -1.264 -11.220 1.00 0.00 O ATOM 660 CB PRO A 44 -4.155 1.785 -9.601 1.00 0.00 C ATOM 661 CG PRO A 44 -3.943 2.370 -10.959 1.00 0.00 C ATOM 662 CD PRO A 44 -2.736 1.679 -11.559 1.00 0.00 C ATOM 0 HA PRO A 44 -3.191 -0.019 -8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.216 1.719 -9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.691 2.399 -8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.823 2.220 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.778 3.445 -10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.967 1.243 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.911 2.375 -11.710 1.00 0.00 H new ATOM 670 N PHE A 45 -5.610 -0.741 -9.452 1.00 0.00 N ATOM 671 CA PHE A 45 -6.715 -1.614 -9.797 1.00 0.00 C ATOM 672 C PHE A 45 -7.992 -0.786 -9.834 1.00 0.00 C ATOM 673 O PHE A 45 -8.117 0.181 -9.091 1.00 0.00 O ATOM 674 CB PHE A 45 -6.826 -2.756 -8.775 1.00 0.00 C ATOM 675 CG PHE A 45 -6.466 -2.349 -7.374 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.407 -1.771 -6.542 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.180 -2.542 -6.893 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.075 -1.392 -5.257 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.843 -2.165 -5.609 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.792 -1.588 -4.790 1.00 0.00 C ATOM 0 H PHE A 45 -5.752 -0.229 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.549 -2.063 -10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.846 -3.140 -8.782 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.175 -3.574 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.413 -1.614 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.434 -2.992 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.820 -0.942 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.838 -2.321 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.531 -1.290 -3.785 1.00 0.00 H new ATOM 690 N PRO A 46 -8.933 -1.143 -10.729 1.00 0.00 N ATOM 691 CA PRO A 46 -10.145 -0.344 -11.025 1.00 0.00 C ATOM 692 C PRO A 46 -10.938 0.121 -9.798 1.00 0.00 C ATOM 693 O PRO A 46 -11.738 1.052 -9.895 1.00 0.00 O ATOM 694 CB PRO A 46 -10.989 -1.307 -11.858 1.00 0.00 C ATOM 695 CG PRO A 46 -10.000 -2.178 -12.535 1.00 0.00 C ATOM 696 CD PRO A 46 -8.883 -2.369 -11.549 1.00 0.00 C ATOM 0 HA PRO A 46 -9.874 0.591 -11.516 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.665 -1.888 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.606 -0.772 -12.580 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.445 -3.134 -12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.637 -1.717 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.031 -3.263 -10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.921 -2.478 -12.049 1.00 0.00 H new ATOM 704 N GLY A 47 -10.718 -0.518 -8.657 1.00 0.00 N ATOM 705 CA GLY A 47 -11.431 -0.154 -7.448 1.00 0.00 C ATOM 706 C GLY A 47 -10.522 0.480 -6.418 1.00 0.00 C ATOM 707 O GLY A 47 -10.820 0.468 -5.228 1.00 0.00 O ATOM 0 H GLY A 47 -10.055 -1.286 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.235 0.539 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.897 -1.042 -7.021 1.00 0.00 H new ATOM 711 N PHE A 48 -9.393 1.001 -6.867 1.00 0.00 N ATOM 712 CA PHE A 48 -8.477 1.710 -5.990 1.00 0.00 C ATOM 713 C PHE A 48 -9.104 3.007 -5.486 1.00 0.00 C ATOM 714 O PHE A 48 -9.632 3.799 -6.264 1.00 0.00 O ATOM 715 CB PHE A 48 -7.167 1.989 -6.735 1.00 0.00 C ATOM 716 CG PHE A 48 -6.246 2.946 -6.040 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.629 2.604 -4.850 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.991 4.192 -6.591 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.775 3.487 -4.222 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.140 5.079 -5.966 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.531 4.727 -4.781 1.00 0.00 C ATOM 0 H PHE A 48 -9.088 0.946 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.264 1.088 -5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.642 1.046 -6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.403 2.385 -7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.818 1.637 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.464 4.471 -7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.297 3.209 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.951 6.048 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.864 5.420 -4.290 1.00 0.00 H new ATOM 731 N ILE A 49 -9.039 3.205 -4.178 1.00 0.00 N ATOM 732 CA ILE A 49 -9.646 4.364 -3.543 1.00 0.00 C ATOM 733 C ILE A 49 -8.598 5.415 -3.192 1.00 0.00 C ATOM 734 O ILE A 49 -8.662 6.546 -3.676 1.00 0.00 O ATOM 735 CB ILE A 49 -10.415 3.951 -2.266 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.615 3.073 -2.625 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.861 5.162 -1.463 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.626 3.739 -3.530 1.00 0.00 C ATOM 0 H ILE A 49 -8.568 2.572 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.347 4.796 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.732 3.375 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.254 2.165 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.114 2.767 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.398 4.831 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.988 5.743 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.518 5.782 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.443 3.047 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -13.019 4.631 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.146 4.020 -4.467 1.00 0.00 H new ATOM 750 N GLU A 50 -7.631 5.039 -2.362 1.00 0.00 N ATOM 751 CA GLU A 50 -6.639 5.988 -1.867 1.00 0.00 C ATOM 752 C GLU A 50 -5.427 5.255 -1.297 1.00 0.00 C ATOM 753 O GLU A 50 -5.529 4.110 -0.877 1.00 0.00 O ATOM 754 CB GLU A 50 -7.271 6.870 -0.782 1.00 0.00 C ATOM 755 CG GLU A 50 -6.341 7.932 -0.221 1.00 0.00 C ATOM 756 CD GLU A 50 -6.950 8.663 0.952 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.817 8.180 2.092 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.580 9.720 0.739 1.00 0.00 O ATOM 0 H GLU A 50 -7.513 4.086 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.305 6.610 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.154 7.358 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.612 6.234 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.406 7.466 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.095 8.648 -1.005 1.00 0.00 H new ATOM 765 N CYS A 51 -4.284 5.914 -1.301 1.00 0.00 N ATOM 766 CA CYS A 51 -3.087 5.388 -0.671 1.00 0.00 C ATOM 767 C CYS A 51 -2.299 6.534 -0.057 1.00 0.00 C ATOM 768 O CYS A 51 -1.887 7.462 -0.754 1.00 0.00 O ATOM 769 CB CYS A 51 -2.226 4.633 -1.686 1.00 0.00 C ATOM 770 SG CYS A 51 -1.847 5.584 -3.180 1.00 0.00 S ATOM 0 H CYS A 51 -4.159 6.826 -1.740 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.376 4.686 0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.292 4.339 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.740 3.715 -1.972 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.827 5.053 -3.785 1.00 0.00 H new ATOM 776 N ILE A 52 -2.108 6.490 1.247 1.00 0.00 N ATOM 777 CA ILE A 52 -1.400 7.559 1.929 1.00 0.00 C ATOM 778 C ILE A 52 -0.221 7.031 2.734 1.00 0.00 C ATOM 779 O ILE A 52 -0.335 6.039 3.453 1.00 0.00 O ATOM 780 CB ILE A 52 -2.340 8.377 2.837 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.297 7.455 3.597 1.00 0.00 C ATOM 782 CG2 ILE A 52 -3.108 9.386 2.000 1.00 0.00 C ATOM 783 CD1 ILE A 52 -4.095 8.162 4.670 1.00 0.00 C ATOM 0 H ILE A 52 -2.429 5.734 1.852 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.014 8.220 1.153 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.743 8.914 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.985 6.995 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.724 6.648 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.772 9.963 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.406 10.059 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.698 8.861 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.751 7.447 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.415 8.598 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.695 8.951 4.217 1.00 0.00 H new ATOM 795 N PRO A 53 0.940 7.683 2.590 1.00 0.00 N ATOM 796 CA PRO A 53 2.149 7.318 3.312 1.00 0.00 C ATOM 797 C PRO A 53 2.179 7.930 4.707 1.00 0.00 C ATOM 798 O PRO A 53 1.831 9.098 4.895 1.00 0.00 O ATOM 799 CB PRO A 53 3.255 7.898 2.435 1.00 0.00 C ATOM 800 CG PRO A 53 2.643 9.094 1.782 1.00 0.00 C ATOM 801 CD PRO A 53 1.157 8.840 1.703 1.00 0.00 C ATOM 0 HA PRO A 53 2.239 6.244 3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.126 8.175 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.592 7.173 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.850 9.996 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.062 9.247 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.587 9.708 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.844 8.623 0.682 1.00 0.00 H new ATOM 809 N ALA A 54 2.584 7.137 5.683 1.00 0.00 N ATOM 810 CA ALA A 54 2.630 7.587 7.062 1.00 0.00 C ATOM 811 C ALA A 54 4.022 7.397 7.651 1.00 0.00 C ATOM 812 O ALA A 54 4.186 6.723 8.672 1.00 0.00 O ATOM 813 CB ALA A 54 1.588 6.849 7.893 1.00 0.00 C ATOM 0 H ALA A 54 2.887 6.173 5.544 1.00 0.00 H new ATOM 0 HA ALA A 54 2.400 8.652 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.633 7.196 8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.595 7.044 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.789 5.778 7.861 1.00 0.00 H new ATOM 819 N PHE A 55 5.022 7.956 6.963 1.00 0.00 N ATOM 820 CA PHE A 55 6.406 8.029 7.457 1.00 0.00 C ATOM 821 C PHE A 55 7.116 6.676 7.395 1.00 0.00 C ATOM 822 O PHE A 55 8.210 6.570 6.843 1.00 0.00 O ATOM 823 CB PHE A 55 6.458 8.595 8.879 1.00 0.00 C ATOM 824 CG PHE A 55 5.824 9.953 9.020 1.00 0.00 C ATOM 825 CD1 PHE A 55 6.362 11.057 8.377 1.00 0.00 C ATOM 826 CD2 PHE A 55 4.691 10.124 9.801 1.00 0.00 C ATOM 827 CE1 PHE A 55 5.777 12.304 8.505 1.00 0.00 C ATOM 828 CE2 PHE A 55 4.103 11.367 9.934 1.00 0.00 C ATOM 829 CZ PHE A 55 4.647 12.459 9.286 1.00 0.00 C ATOM 0 H PHE A 55 4.896 8.374 6.041 1.00 0.00 H new ATOM 0 HA PHE A 55 6.939 8.709 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.959 7.900 9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.499 8.656 9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.248 10.942 7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.263 9.274 10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.203 13.156 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.219 11.485 10.544 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.190 13.432 9.389 1.00 0.00 H new ATOM 839 N THR A 56 6.510 5.654 7.980 1.00 0.00 N ATOM 840 CA THR A 56 7.057 4.308 7.918 1.00 0.00 C ATOM 841 C THR A 56 5.940 3.286 7.703 1.00 0.00 C ATOM 842 O THR A 56 6.179 2.079 7.663 1.00 0.00 O ATOM 843 CB THR A 56 7.861 3.965 9.194 1.00 0.00 C ATOM 844 OG1 THR A 56 8.460 2.669 9.076 1.00 0.00 O ATOM 845 CG2 THR A 56 6.974 4.010 10.432 1.00 0.00 C ATOM 0 H THR A 56 5.638 5.732 8.504 1.00 0.00 H new ATOM 0 HA THR A 56 7.741 4.267 7.070 1.00 0.00 H new ATOM 0 HB THR A 56 8.645 4.714 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.875 2.085 8.550 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.567 3.765 11.313 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.555 5.010 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.165 3.287 10.326 1.00 0.00 H new ATOM 853 N SER A 57 4.721 3.779 7.547 1.00 0.00 N ATOM 854 CA SER A 57 3.576 2.915 7.319 1.00 0.00 C ATOM 855 C SER A 57 2.841 3.344 6.055 1.00 0.00 C ATOM 856 O SER A 57 2.807 4.525 5.724 1.00 0.00 O ATOM 857 CB SER A 57 2.633 2.954 8.527 1.00 0.00 C ATOM 858 OG SER A 57 3.328 2.657 9.729 1.00 0.00 O ATOM 0 H SER A 57 4.500 4.774 7.574 1.00 0.00 H new ATOM 0 HA SER A 57 3.927 1.891 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.175 3.940 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.825 2.237 8.384 1.00 0.00 H new ATOM 0 HG SER A 57 2.704 2.690 10.484 1.00 0.00 H new ATOM 864 N LEU A 58 2.281 2.382 5.346 1.00 0.00 N ATOM 865 CA LEU A 58 1.550 2.659 4.119 1.00 0.00 C ATOM 866 C LEU A 58 0.072 2.349 4.313 1.00 0.00 C ATOM 867 O LEU A 58 -0.300 1.216 4.618 1.00 0.00 O ATOM 868 CB LEU A 58 2.114 1.825 2.965 1.00 0.00 C ATOM 869 CG LEU A 58 1.500 2.106 1.593 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.819 3.523 1.139 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.994 1.093 0.575 1.00 0.00 C ATOM 0 H LEU A 58 2.318 1.395 5.599 1.00 0.00 H new ATOM 0 HA LEU A 58 1.663 3.715 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.189 1.997 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.973 0.770 3.199 1.00 0.00 H new ATOM 0 HG LEU A 58 0.417 2.013 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.372 3.701 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.414 4.235 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.900 3.649 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.548 1.306 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.079 1.155 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.709 0.090 0.892 1.00 0.00 H new ATOM 883 N THR A 59 -0.767 3.350 4.146 1.00 0.00 N ATOM 884 CA THR A 59 -2.191 3.180 4.347 1.00 0.00 C ATOM 885 C THR A 59 -2.896 3.058 2.998 1.00 0.00 C ATOM 886 O THR A 59 -2.972 4.025 2.239 1.00 0.00 O ATOM 887 CB THR A 59 -2.758 4.369 5.136 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.786 4.822 6.091 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.027 3.973 5.867 1.00 0.00 C ATOM 0 H THR A 59 -0.487 4.291 3.871 1.00 0.00 H new ATOM 0 HA THR A 59 -2.362 2.268 4.918 1.00 0.00 H new ATOM 0 HB THR A 59 -2.991 5.169 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.149 5.582 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.411 4.830 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.774 3.641 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.809 3.162 6.562 1.00 0.00 H new ATOM 897 N VAL A 60 -3.393 1.867 2.698 1.00 0.00 N ATOM 898 CA VAL A 60 -3.968 1.589 1.392 1.00 0.00 C ATOM 899 C VAL A 60 -5.475 1.385 1.486 1.00 0.00 C ATOM 900 O VAL A 60 -5.961 0.444 2.115 1.00 0.00 O ATOM 901 CB VAL A 60 -3.316 0.347 0.752 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.904 0.070 -0.622 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.811 0.528 0.662 1.00 0.00 C ATOM 0 H VAL A 60 -3.409 1.077 3.343 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.770 2.455 0.761 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.526 -0.513 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.427 -0.811 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.976 -0.106 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.732 0.928 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.365 -0.357 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.586 1.402 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.401 0.669 1.662 1.00 0.00 H new ATOM 913 N PHE A 61 -6.205 2.278 0.849 1.00 0.00 N ATOM 914 CA PHE A 61 -7.650 2.213 0.805 1.00 0.00 C ATOM 915 C PHE A 61 -8.096 1.783 -0.583 1.00 0.00 C ATOM 916 O PHE A 61 -7.483 2.148 -1.589 1.00 0.00 O ATOM 917 CB PHE A 61 -8.252 3.575 1.126 1.00 0.00 C ATOM 918 CG PHE A 61 -7.922 4.105 2.493 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.708 4.732 2.742 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.842 3.999 3.523 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.424 5.237 3.993 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.559 4.499 4.778 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.350 5.120 5.013 1.00 0.00 C ATOM 0 H PHE A 61 -5.810 3.072 0.345 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.992 1.490 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.909 4.293 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.336 3.509 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.981 4.825 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.792 3.519 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.478 5.724 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.283 4.404 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.127 5.515 5.993 1.00 0.00 H new ATOM 933 N TYR A 62 -9.177 1.037 -0.635 1.00 0.00 N ATOM 934 CA TYR A 62 -9.663 0.482 -1.881 1.00 0.00 C ATOM 935 C TYR A 62 -11.085 -0.009 -1.709 1.00 0.00 C ATOM 936 O TYR A 62 -11.597 -0.087 -0.591 1.00 0.00 O ATOM 937 CB TYR A 62 -8.757 -0.653 -2.363 1.00 0.00 C ATOM 938 CG TYR A 62 -8.295 -1.576 -1.265 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.176 -2.444 -0.645 1.00 0.00 C ATOM 940 CD2 TYR A 62 -6.974 -1.576 -0.853 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.753 -3.285 0.357 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.544 -2.416 0.151 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.439 -3.270 0.748 1.00 0.00 C ATOM 944 OH TYR A 62 -7.018 -4.114 1.743 1.00 0.00 O ATOM 0 H TYR A 62 -9.742 0.798 0.180 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.650 1.266 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.290 -1.236 -3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.884 -0.224 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.211 -2.461 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.269 -0.908 -1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.453 -3.955 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.511 -2.403 0.466 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.480 -3.891 2.578 1.00 0.00 H new ATOM 954 N ASP A 63 -11.710 -0.321 -2.822 1.00 0.00 N ATOM 955 CA ASP A 63 -13.092 -0.728 -2.836 1.00 0.00 C ATOM 956 C ASP A 63 -13.174 -2.231 -2.981 1.00 0.00 C ATOM 957 O ASP A 63 -12.795 -2.792 -4.013 1.00 0.00 O ATOM 958 CB ASP A 63 -13.825 -0.056 -3.991 1.00 0.00 C ATOM 959 CG ASP A 63 -15.323 -0.009 -3.762 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.915 -1.060 -3.446 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.912 1.084 -3.884 1.00 0.00 O ATOM 0 H ASP A 63 -11.272 -0.299 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.562 -0.428 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.446 0.958 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.616 -0.595 -4.915 1.00 0.00 H new ATOM 966 N MET A 64 -13.674 -2.878 -1.947 1.00 0.00 N ATOM 967 CA MET A 64 -13.752 -4.328 -1.915 1.00 0.00 C ATOM 968 C MET A 64 -14.696 -4.851 -2.995 1.00 0.00 C ATOM 969 O MET A 64 -14.593 -6.002 -3.405 1.00 0.00 O ATOM 970 CB MET A 64 -14.190 -4.827 -0.531 1.00 0.00 C ATOM 971 CG MET A 64 -15.579 -4.373 -0.117 1.00 0.00 C ATOM 972 SD MET A 64 -15.685 -2.591 0.148 1.00 0.00 S ATOM 973 CE MET A 64 -17.339 -2.256 -0.451 1.00 0.00 C ATOM 0 H MET A 64 -14.035 -2.419 -1.111 1.00 0.00 H new ATOM 0 HA MET A 64 -12.754 -4.716 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.159 -5.917 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.471 -4.482 0.212 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.295 -4.664 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.867 -4.889 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.553 -1.192 -0.353 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.412 -2.545 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 64 -18.060 -2.827 0.134 1.00 0.00 H new ATOM 983 N TYR A 65 -15.591 -3.995 -3.479 1.00 0.00 N ATOM 984 CA TYR A 65 -16.552 -4.395 -4.501 1.00 0.00 C ATOM 985 C TYR A 65 -15.838 -4.759 -5.802 1.00 0.00 C ATOM 986 O TYR A 65 -16.325 -5.585 -6.581 1.00 0.00 O ATOM 987 CB TYR A 65 -17.586 -3.275 -4.722 1.00 0.00 C ATOM 988 CG TYR A 65 -17.576 -2.642 -6.103 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.662 -1.648 -6.435 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.492 -3.036 -7.070 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.663 -1.064 -7.689 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.499 -2.461 -8.325 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.584 -1.476 -8.631 1.00 0.00 C ATOM 994 OH TYR A 65 -17.597 -0.900 -9.884 1.00 0.00 O ATOM 0 H TYR A 65 -15.671 -3.023 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.082 -5.284 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.580 -3.680 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.414 -2.494 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.938 -1.326 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.212 -3.806 -6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.948 -0.291 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -19.218 -2.781 -9.064 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.307 -1.307 -10.424 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.670 -4.165 -6.026 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.919 -4.431 -7.241 1.00 0.00 C ATOM 1006 C GLU A 66 -12.978 -5.586 -7.002 1.00 0.00 C ATOM 1007 O GLU A 66 -12.790 -6.446 -7.851 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.137 -3.196 -7.687 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.324 -3.410 -8.959 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.162 -3.910 -10.120 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -13.852 -3.096 -10.760 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.139 -5.126 -10.396 1.00 0.00 O ATOM 0 H GLU A 66 -14.229 -3.503 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.619 -4.686 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.834 -2.374 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.465 -2.893 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.846 -2.472 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.527 -4.126 -8.758 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.396 -5.605 -5.823 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.465 -6.655 -5.472 1.00 0.00 C ATOM 1021 C VAL A 67 -12.184 -8.005 -5.422 1.00 0.00 C ATOM 1022 O VAL A 67 -11.616 -9.017 -5.805 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.740 -6.341 -4.145 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.319 -4.879 -4.129 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.597 -6.665 -2.935 1.00 0.00 C ATOM 0 H VAL A 67 -12.550 -4.909 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.698 -6.711 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.856 -6.976 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.807 -4.658 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.646 -4.685 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.201 -4.245 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.046 -6.428 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.513 -6.075 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.849 -7.726 -2.941 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.453 -7.995 -4.990 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.319 -9.181 -5.034 1.00 0.00 C ATOM 1037 C TYR A 68 -14.400 -9.761 -6.443 1.00 0.00 C ATOM 1038 O TYR A 68 -14.614 -10.960 -6.613 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.738 -8.848 -4.555 1.00 0.00 C ATOM 1040 CG TYR A 68 -15.974 -9.029 -3.070 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.784 -10.260 -2.457 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.418 -7.972 -2.286 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.028 -10.431 -1.108 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.659 -8.132 -0.937 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.464 -9.362 -0.351 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.707 -9.525 0.996 1.00 0.00 O ATOM 0 H TYR A 68 -13.906 -7.168 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.874 -9.920 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.961 -7.814 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.445 -9.475 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.440 -11.098 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.578 -7.006 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.878 -11.396 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.999 -7.296 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.006 -8.674 1.380 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.237 -8.907 -7.448 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.245 -9.351 -8.838 1.00 0.00 C ATOM 1058 C LYS A 69 -13.060 -10.265 -9.082 1.00 0.00 C ATOM 1059 O LYS A 69 -13.167 -11.297 -9.745 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.126 -8.156 -9.780 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.042 -8.197 -10.991 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.446 -7.728 -10.651 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.447 -6.311 -10.087 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.746 -5.343 -10.976 1.00 0.00 N ATOM 0 H LYS A 69 -14.098 -7.904 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.182 -9.876 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.335 -7.247 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.095 -8.087 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.630 -7.568 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.083 -9.214 -11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.068 -7.764 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.891 -8.409 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.476 -5.983 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.968 -6.313 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.833 -4.384 -10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.740 -5.600 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.175 -5.368 -11.923 1.00 0.00 H new ATOM 1078 N HIS A 70 -11.924 -9.870 -8.525 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.680 -10.563 -8.763 1.00 0.00 C ATOM 1080 C HIS A 70 -10.456 -11.653 -7.716 1.00 0.00 C ATOM 1081 O HIS A 70 -9.708 -12.589 -7.977 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.522 -9.563 -8.763 1.00 0.00 C ATOM 1083 CG HIS A 70 -8.214 -10.143 -9.216 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.077 -10.142 -8.438 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -7.864 -10.731 -10.386 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -6.087 -10.703 -9.108 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -6.538 -11.070 -10.289 1.00 0.00 N ATOM 0 H HIS A 70 -11.845 -9.066 -7.902 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.728 -11.046 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.780 -8.725 -9.410 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.401 -9.163 -7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.508 -10.901 -11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.078 -10.838 -8.748 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.990 -11.532 -11.015 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.096 -11.481 -6.539 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.088 -12.446 -5.421 1.00 0.00 C ATOM 1098 C LEU A 71 -10.861 -13.871 -5.913 1.00 0.00 C ATOM 1099 O LEU A 71 -11.794 -14.561 -6.331 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.419 -12.382 -4.650 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.373 -11.843 -3.205 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.573 -12.756 -2.288 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.809 -10.438 -3.160 1.00 0.00 C ATOM 0 H LEU A 71 -11.646 -10.646 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.265 -12.172 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.110 -11.761 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.842 -13.386 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.401 -11.817 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.564 -12.342 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.031 -13.745 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.550 -12.836 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.790 -10.087 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.796 -10.440 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.435 -9.775 -3.757 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.601 -14.305 -5.899 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.190 -15.611 -6.414 1.00 0.00 C ATOM 1117 C PRO A 72 -9.736 -16.744 -5.564 1.00 0.00 C ATOM 1118 O PRO A 72 -9.782 -16.634 -4.342 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.656 -15.554 -6.337 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.343 -14.101 -6.196 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.461 -13.541 -5.390 1.00 0.00 C ATOM 0 HA PRO A 72 -9.564 -15.803 -7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.280 -16.125 -5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.198 -15.974 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.385 -13.950 -5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.277 -13.615 -7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.311 -13.692 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.583 -12.469 -5.547 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.169 -17.820 -6.212 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.729 -18.963 -5.504 1.00 0.00 C ATOM 1131 C GLN A 73 -9.669 -19.585 -4.601 1.00 0.00 C ATOM 1132 O GLN A 73 -8.810 -20.347 -5.048 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.274 -19.991 -6.496 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.326 -20.915 -5.902 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.539 -20.161 -5.383 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.483 -19.894 -6.128 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.535 -19.839 -4.099 1.00 0.00 N ATOM 0 H GLN A 73 -10.143 -17.924 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.558 -18.624 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.704 -19.467 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.447 -20.592 -6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.645 -21.631 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.883 -21.488 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.733 -20.078 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.334 -19.352 -3.693 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.744 -19.233 -3.329 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.721 -19.597 -2.370 1.00 0.00 C ATOM 1148 C GLY A 74 -8.465 -18.438 -1.434 1.00 0.00 C ATOM 1149 O GLY A 74 -7.988 -18.607 -0.312 1.00 0.00 O ATOM 0 H GLY A 74 -10.512 -18.690 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.036 -20.473 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.802 -19.868 -2.889 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.782 -17.253 -1.925 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.776 -16.045 -1.126 1.00 0.00 C ATOM 1155 C ILE A 75 -10.192 -15.780 -0.637 1.00 0.00 C ATOM 1156 O ILE A 75 -11.130 -15.761 -1.432 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.303 -14.835 -1.960 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -6.940 -15.122 -2.602 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.247 -13.581 -1.095 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.752 -14.674 -1.774 1.00 0.00 C ATOM 0 H ILE A 75 -9.053 -17.103 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.092 -16.180 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.022 -14.663 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.857 -16.193 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.898 -14.628 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.912 -12.737 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.239 -13.370 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.550 -13.738 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.829 -14.915 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.807 -13.598 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.765 -15.187 -0.812 1.00 0.00 H new ATOM 1172 N SER A 76 -10.355 -15.606 0.657 1.00 0.00 N ATOM 1173 CA SER A 76 -11.661 -15.327 1.218 1.00 0.00 C ATOM 1174 C SER A 76 -11.702 -13.907 1.769 1.00 0.00 C ATOM 1175 O SER A 76 -12.723 -13.451 2.286 1.00 0.00 O ATOM 1176 CB SER A 76 -11.960 -16.341 2.317 1.00 0.00 C ATOM 1177 OG SER A 76 -13.265 -16.174 2.847 1.00 0.00 O ATOM 0 H SER A 76 -9.600 -15.653 1.341 1.00 0.00 H new ATOM 0 HA SER A 76 -12.420 -15.410 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.856 -17.350 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.227 -16.237 3.117 1.00 0.00 H new ATOM 0 HG SER A 76 -13.555 -15.247 2.717 1.00 0.00 H new ATOM 1183 N SER A 77 -10.582 -13.217 1.645 1.00 0.00 N ATOM 1184 CA SER A 77 -10.437 -11.883 2.196 1.00 0.00 C ATOM 1185 C SER A 77 -10.163 -10.859 1.101 1.00 0.00 C ATOM 1186 O SER A 77 -9.111 -10.883 0.463 1.00 0.00 O ATOM 1187 CB SER A 77 -9.295 -11.887 3.207 1.00 0.00 C ATOM 1188 OG SER A 77 -9.148 -10.624 3.833 1.00 0.00 O ATOM 0 H SER A 77 -9.753 -13.564 1.163 1.00 0.00 H new ATOM 0 HA SER A 77 -11.369 -11.601 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.481 -12.649 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.365 -12.156 2.705 1.00 0.00 H new ATOM 0 HG SER A 77 -8.201 -10.374 3.846 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.134 -9.961 0.861 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.980 -8.826 -0.055 1.00 0.00 C ATOM 1196 C PRO A 78 -9.689 -8.047 0.171 1.00 0.00 C ATOM 1197 O PRO A 78 -8.985 -7.722 -0.775 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.195 -7.960 0.269 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.228 -8.942 0.683 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.492 -10.016 1.436 1.00 0.00 C ATOM 0 HA PRO A 78 -10.923 -9.147 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.978 -7.248 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.517 -7.382 -0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.985 -8.472 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.744 -9.355 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.483 -9.822 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.951 -10.994 1.293 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.381 -7.743 1.424 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.134 -7.063 1.752 1.00 0.00 C ATOM 1210 C PHE A 79 -6.919 -7.895 1.341 1.00 0.00 C ATOM 1211 O PHE A 79 -5.922 -7.351 0.867 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.087 -6.718 3.250 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.930 -7.307 4.020 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -5.713 -6.644 4.086 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -7.068 -8.512 4.692 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.657 -7.173 4.802 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -6.013 -9.047 5.408 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.807 -8.375 5.464 1.00 0.00 C ATOM 0 H PHE A 79 -9.973 -7.955 2.227 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.098 -6.133 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.054 -5.633 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.016 -7.054 3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.590 -5.703 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.010 -9.039 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.715 -6.647 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.131 -9.989 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.983 -8.790 6.025 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.004 -9.209 1.494 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.852 -10.048 1.245 1.00 0.00 C ATOM 1230 C GLU A 80 -5.690 -10.344 -0.243 1.00 0.00 C ATOM 1231 O GLU A 80 -4.602 -10.715 -0.689 1.00 0.00 O ATOM 1232 CB GLU A 80 -5.929 -11.356 2.031 1.00 0.00 C ATOM 1233 CG GLU A 80 -4.612 -12.112 2.025 1.00 0.00 C ATOM 1234 CD GLU A 80 -4.753 -13.562 2.417 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -5.174 -14.367 1.564 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -4.415 -13.911 3.568 1.00 0.00 O ATOM 0 H GLU A 80 -7.846 -9.706 1.785 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.978 -9.493 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.218 -11.142 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.709 -11.987 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.172 -12.053 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.918 -11.624 2.709 1.00 0.00 H new ATOM 1243 N SER A 81 -6.748 -10.175 -1.026 1.00 0.00 N ATOM 1244 CA SER A 81 -6.625 -10.373 -2.454 1.00 0.00 C ATOM 1245 C SER A 81 -5.876 -9.186 -3.029 1.00 0.00 C ATOM 1246 O SER A 81 -5.031 -9.325 -3.904 1.00 0.00 O ATOM 1247 CB SER A 81 -7.998 -10.525 -3.119 1.00 0.00 C ATOM 1248 OG SER A 81 -8.792 -9.371 -2.934 1.00 0.00 O ATOM 0 H SER A 81 -7.677 -9.908 -0.702 1.00 0.00 H new ATOM 0 HA SER A 81 -6.078 -11.295 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.869 -10.712 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.511 -11.392 -2.703 1.00 0.00 H new ATOM 0 HG SER A 81 -8.608 -8.985 -2.052 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.169 -8.018 -2.473 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.503 -6.786 -2.854 1.00 0.00 C ATOM 1256 C VAL A 82 -4.034 -6.832 -2.476 1.00 0.00 C ATOM 1257 O VAL A 82 -3.198 -6.233 -3.148 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.153 -5.573 -2.179 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.554 -4.287 -2.705 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.650 -5.601 -2.383 1.00 0.00 C ATOM 0 H VAL A 82 -6.875 -7.901 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.600 -6.686 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.955 -5.619 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.028 -3.437 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.484 -4.274 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.718 -4.222 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.099 -4.734 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.872 -5.577 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.060 -6.513 -1.948 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.726 -7.552 -1.394 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.343 -7.774 -1.005 1.00 0.00 C ATOM 1272 C LYS A 83 -1.569 -8.259 -2.200 1.00 0.00 C ATOM 1273 O LYS A 83 -0.546 -7.703 -2.547 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.223 -8.816 0.101 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.050 -8.230 1.485 1.00 0.00 C ATOM 1276 CD LYS A 83 -1.828 -9.334 2.505 1.00 0.00 C ATOM 1277 CE LYS A 83 -0.556 -10.117 2.202 1.00 0.00 C ATOM 1278 NZ LYS A 83 -0.415 -11.322 3.064 1.00 0.00 N ATOM 0 H LYS A 83 -4.415 -7.986 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.947 -6.829 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.114 -9.444 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.374 -9.465 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.203 -7.544 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.933 -7.650 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.763 -8.902 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.683 -10.010 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.560 -10.420 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.309 -9.469 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.464 -11.822 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.385 -11.033 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.226 -11.955 2.911 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.143 -9.247 -2.864 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.489 -9.940 -3.964 1.00 0.00 C ATOM 1294 C ARG A 84 -1.187 -8.973 -5.098 1.00 0.00 C ATOM 1295 O ARG A 84 -0.134 -9.047 -5.723 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.378 -11.075 -4.475 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.052 -11.877 -3.372 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.039 -12.452 -2.392 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.678 -13.229 -1.332 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.134 -14.310 -0.774 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.936 -14.731 -1.173 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.782 -14.971 0.182 1.00 0.00 N ATOM 0 H ARG A 84 -3.079 -9.594 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.551 -10.357 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.145 -10.657 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.775 -11.749 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.755 -11.239 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.631 -12.688 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.334 -13.086 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.463 -11.640 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.594 -12.926 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.436 -14.226 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.518 -15.558 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.700 -14.651 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.361 -15.798 0.606 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.115 -8.058 -5.339 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.976 -7.078 -6.399 1.00 0.00 C ATOM 1318 C ASP A 85 -0.946 -6.022 -6.037 1.00 0.00 C ATOM 1319 O ASP A 85 -0.241 -5.503 -6.908 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.320 -6.408 -6.680 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.311 -7.349 -7.336 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.287 -7.472 -8.577 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.111 -7.976 -6.612 1.00 0.00 O ATOM 0 H ASP A 85 -2.981 -7.977 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.637 -7.600 -7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.740 -6.037 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.164 -5.543 -7.325 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.863 -5.697 -4.755 1.00 0.00 N ATOM 1329 CA VAL A 86 0.039 -4.655 -4.312 1.00 0.00 C ATOM 1330 C VAL A 86 1.440 -5.192 -4.029 1.00 0.00 C ATOM 1331 O VAL A 86 2.402 -4.559 -4.419 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.506 -3.866 -3.097 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.857 -3.259 -3.430 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.595 -4.727 -1.849 1.00 0.00 C ATOM 0 H VAL A 86 -1.406 -6.138 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 86 0.111 -3.953 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 86 0.200 -3.064 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.230 -2.707 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.753 -2.582 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.560 -4.053 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.982 -4.131 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.263 -5.568 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.397 -5.101 -1.593 1.00 0.00 H new ATOM 1344 N GLU A 87 1.563 -6.355 -3.378 1.00 0.00 N ATOM 1345 CA GLU A 87 2.858 -6.945 -3.093 1.00 0.00 C ATOM 1346 C GLU A 87 3.701 -7.097 -4.349 1.00 0.00 C ATOM 1347 O GLU A 87 4.805 -6.571 -4.428 1.00 0.00 O ATOM 1348 CB GLU A 87 2.690 -8.306 -2.420 1.00 0.00 C ATOM 1349 CG GLU A 87 1.704 -9.254 -3.081 1.00 0.00 C ATOM 1350 CD GLU A 87 1.482 -10.529 -2.286 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.861 -10.464 -1.202 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.918 -11.608 -2.746 1.00 0.00 O ATOM 0 H GLU A 87 0.771 -6.902 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 87 3.378 -6.266 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.664 -8.794 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.374 -8.144 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.750 -8.743 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.067 -9.511 -4.076 1.00 0.00 H new