USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 13 HIS : no HD1:sc= -1.99 K(o=-3.9,f=-6!) USER MOD Set 1.2: A 23 SER OG : rot -47:sc= -1.87 USER MOD Set 2.1: A 17 THR OG1 : rot 151:sc= 0.617 USER MOD Set 2.2: A 20 SER OG : rot 76:sc= 0.869 USER MOD Single : A 12 CYS SG : rot 120:sc= -5.52! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-1.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -73:sc= -0.74 USER MOD Single : A 33 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.02) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc=-0.00532 X(o=-0.0053,f=-0.48) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 61:sc= -0.162 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.211 K(o=0.21,f=-0.74) USER MOD Single : A 65 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.0004) USER MOD Single : A 67 ASN : amide:sc= -2.11 K(o=-2.1,f=-1.5) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -30:sc= -1.76 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc=-0.00896 X(o=-0.009,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.467 -15.569 -2.358 1.00 0.00 N ATOM 97 CA ILE A 10 -4.166 -14.962 -2.131 1.00 0.00 C ATOM 98 C ILE A 10 -4.326 -13.756 -1.204 1.00 0.00 C ATOM 99 O ILE A 10 -5.439 -13.423 -0.798 1.00 0.00 O ATOM 100 CB ILE A 10 -3.490 -14.629 -3.462 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.970 -14.553 -3.302 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.068 -13.347 -4.065 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.261 -15.244 -4.468 1.00 0.00 C ATOM 0 HA ILE A 10 -3.500 -15.664 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.699 -15.437 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.658 -13.510 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.676 -15.022 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.570 -13.133 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.136 -13.476 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.910 -12.517 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.182 -15.176 -4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.557 -16.293 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.539 -14.757 -5.403 1.00 0.00 H new ATOM 115 N PHE A 11 -3.198 -13.133 -0.895 1.00 0.00 N ATOM 116 CA PHE A 11 -3.199 -11.971 -0.024 1.00 0.00 C ATOM 117 C PHE A 11 -2.313 -10.859 -0.590 1.00 0.00 C ATOM 118 O PHE A 11 -1.314 -11.134 -1.254 1.00 0.00 O ATOM 119 CB PHE A 11 -2.632 -12.421 1.324 1.00 0.00 C ATOM 120 CG PHE A 11 -3.677 -13.009 2.274 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.151 -14.267 2.070 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.133 -12.273 3.323 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.122 -14.812 2.952 1.00 0.00 C ATOM 124 CE2 PHE A 11 -5.104 -12.818 4.205 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.577 -14.076 4.000 1.00 0.00 C ATOM 0 H PHE A 11 -2.277 -13.412 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.212 -11.579 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.855 -13.165 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.154 -11.569 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.789 -14.852 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.757 -11.274 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.499 -15.811 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.466 -12.233 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.315 -14.491 4.671 1.00 0.00 H new ATOM 135 N CYS A 12 -2.711 -9.627 -0.309 1.00 0.00 N ATOM 136 CA CYS A 12 -1.966 -8.474 -0.782 1.00 0.00 C ATOM 137 C CYS A 12 -1.302 -7.803 0.423 1.00 0.00 C ATOM 138 O CYS A 12 -1.986 -7.322 1.325 1.00 0.00 O ATOM 139 CB CYS A 12 -2.859 -7.502 -1.556 1.00 0.00 C ATOM 140 SG CYS A 12 -1.972 -5.926 -1.838 1.00 0.00 S ATOM 0 H CYS A 12 -3.540 -9.403 0.241 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.198 -8.798 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.148 -7.942 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.778 -7.317 -0.999 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.867 -5.710 -3.116 1.00 0.00 H new ATOM 146 N HIS A 13 0.023 -7.793 0.398 1.00 0.00 N ATOM 147 CA HIS A 13 0.787 -7.190 1.477 1.00 0.00 C ATOM 148 C HIS A 13 1.186 -5.765 1.089 1.00 0.00 C ATOM 149 O HIS A 13 1.978 -5.568 0.169 1.00 0.00 O ATOM 150 CB HIS A 13 1.988 -8.062 1.847 1.00 0.00 C ATOM 151 CG HIS A 13 1.626 -9.316 2.607 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.593 -10.567 2.018 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.282 -9.496 3.915 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.244 -11.454 2.939 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.051 -10.788 4.113 1.00 0.00 N ATOM 0 H HIS A 13 0.587 -8.193 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 13 0.169 -7.126 2.373 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.515 -8.342 0.935 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.681 -7.473 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.210 -8.719 4.662 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.132 -12.517 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.774 -11.213 4.998 1.00 0.00 H new ATOM 163 N VAL A 14 0.619 -4.808 1.809 1.00 0.00 N ATOM 164 CA VAL A 14 0.906 -3.408 1.551 1.00 0.00 C ATOM 165 C VAL A 14 1.619 -2.806 2.764 1.00 0.00 C ATOM 166 O VAL A 14 1.022 -2.658 3.829 1.00 0.00 O ATOM 167 CB VAL A 14 -0.383 -2.668 1.188 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.237 -1.163 1.425 1.00 0.00 C ATOM 169 CG2 VAL A 14 -0.792 -2.958 -0.258 1.00 0.00 C ATOM 0 H VAL A 14 -0.038 -4.975 2.571 1.00 0.00 H new ATOM 0 HA VAL A 14 1.575 -3.307 0.697 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.175 -3.034 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.167 -0.661 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.014 -0.980 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.574 -0.775 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.711 -2.420 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.000 -2.632 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.957 -4.028 -0.382 1.00 0.00 H new ATOM 179 N TYR A 15 2.886 -2.475 2.562 1.00 0.00 N ATOM 180 CA TYR A 15 3.686 -1.893 3.625 1.00 0.00 C ATOM 181 C TYR A 15 3.518 -0.373 3.669 1.00 0.00 C ATOM 182 O TYR A 15 3.591 0.293 2.637 1.00 0.00 O ATOM 183 CB TYR A 15 5.141 -2.224 3.288 1.00 0.00 C ATOM 184 CG TYR A 15 5.537 -3.670 3.592 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.791 -4.712 3.080 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.641 -3.933 4.378 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.164 -6.073 3.366 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.014 -5.294 4.664 1.00 0.00 C ATOM 189 CZ TYR A 15 6.257 -6.297 4.144 1.00 0.00 C ATOM 190 OH TYR A 15 6.609 -7.582 4.415 1.00 0.00 O ATOM 0 H TYR A 15 3.378 -2.599 1.677 1.00 0.00 H new ATOM 0 HA TYR A 15 3.381 -2.288 4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.312 -2.026 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.794 -1.554 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.927 -4.507 2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.225 -3.118 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.589 -6.898 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.875 -5.513 5.278 1.00 0.00 H new ATOM 0 HH TYR A 15 7.409 -7.590 4.981 1.00 0.00 H new ATOM 200 N ILE A 16 3.297 0.132 4.874 1.00 0.00 N ATOM 201 CA ILE A 16 3.118 1.561 5.065 1.00 0.00 C ATOM 202 C ILE A 16 4.465 2.197 5.414 1.00 0.00 C ATOM 203 O ILE A 16 4.813 3.252 4.886 1.00 0.00 O ATOM 204 CB ILE A 16 2.024 1.830 6.100 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.905 0.791 5.999 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.492 3.259 5.977 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.699 0.348 4.549 1.00 0.00 C ATOM 0 H ILE A 16 3.238 -0.423 5.728 1.00 0.00 H new ATOM 0 HA ILE A 16 2.774 2.029 4.143 1.00 0.00 H new ATOM 0 HB ILE A 16 2.463 1.734 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.150 -0.074 6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.022 1.210 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.716 3.424 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.306 3.966 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.075 3.407 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.102 -0.390 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.431 1.211 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.621 -0.093 4.169 1.00 0.00 H new ATOM 219 N THR A 17 5.186 1.529 6.302 1.00 0.00 N ATOM 220 CA THR A 17 6.487 2.016 6.728 1.00 0.00 C ATOM 221 C THR A 17 7.510 0.877 6.725 1.00 0.00 C ATOM 222 O THR A 17 7.513 0.043 5.821 1.00 0.00 O ATOM 223 CB THR A 17 6.319 2.678 8.097 1.00 0.00 C ATOM 224 OG1 THR A 17 6.242 1.582 9.006 1.00 0.00 O ATOM 225 CG2 THR A 17 4.968 3.381 8.246 1.00 0.00 C ATOM 0 H THR A 17 4.894 0.654 6.738 1.00 0.00 H new ATOM 0 HA THR A 17 6.876 2.762 6.036 1.00 0.00 H new ATOM 0 HB THR A 17 7.122 3.398 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.590 1.857 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.901 3.834 9.235 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.875 4.156 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.164 2.655 8.124 1.00 0.00 H new ATOM 233 N GLU A 18 8.353 0.879 7.748 1.00 0.00 N ATOM 234 CA GLU A 18 9.378 -0.143 7.874 1.00 0.00 C ATOM 235 C GLU A 18 8.841 -1.337 8.666 1.00 0.00 C ATOM 236 O GLU A 18 9.241 -2.475 8.427 1.00 0.00 O ATOM 237 CB GLU A 18 10.640 0.425 8.526 1.00 0.00 C ATOM 238 CG GLU A 18 11.883 -0.345 8.074 1.00 0.00 C ATOM 239 CD GLU A 18 12.220 -0.034 6.614 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.420 1.164 6.321 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.269 -1.002 5.825 1.00 0.00 O ATOM 0 H GLU A 18 8.347 1.572 8.497 1.00 0.00 H new ATOM 0 HA GLU A 18 9.648 -0.486 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.746 1.478 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.549 0.372 9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.729 -0.083 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.715 -1.415 8.192 1.00 0.00 H new ATOM 248 N HIS A 19 7.944 -1.037 9.594 1.00 0.00 N ATOM 249 CA HIS A 19 7.349 -2.071 10.422 1.00 0.00 C ATOM 250 C HIS A 19 5.825 -1.934 10.399 1.00 0.00 C ATOM 251 O HIS A 19 5.160 -2.195 11.401 1.00 0.00 O ATOM 252 CB HIS A 19 7.927 -2.032 11.838 1.00 0.00 C ATOM 253 CG HIS A 19 9.333 -1.487 11.913 1.00 0.00 C ATOM 254 ND1 HIS A 19 9.710 -0.509 12.817 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.447 -1.793 11.189 1.00 0.00 C ATOM 256 CE1 HIS A 19 10.996 -0.245 12.635 1.00 0.00 C ATOM 257 NE2 HIS A 19 11.451 -1.041 11.625 1.00 0.00 N ATOM 0 H HIS A 19 7.615 -0.092 9.790 1.00 0.00 H new ATOM 0 HA HIS A 19 7.596 -3.053 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.278 -1.423 12.467 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.917 -3.041 12.251 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.503 -2.523 10.395 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.581 0.474 13.189 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.405 -1.056 11.264 1.00 0.00 H new ATOM 265 N SER A 20 5.317 -1.524 9.247 1.00 0.00 N ATOM 266 CA SER A 20 3.884 -1.348 9.080 1.00 0.00 C ATOM 267 C SER A 20 3.437 -1.939 7.742 1.00 0.00 C ATOM 268 O SER A 20 4.057 -1.688 6.710 1.00 0.00 O ATOM 269 CB SER A 20 3.497 0.129 9.164 1.00 0.00 C ATOM 270 OG SER A 20 4.249 0.823 10.156 1.00 0.00 O ATOM 0 H SER A 20 5.872 -1.308 8.419 1.00 0.00 H new ATOM 0 HA SER A 20 3.378 -1.874 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.654 0.601 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.434 0.213 9.390 1.00 0.00 H new ATOM 0 HG SER A 20 5.154 0.994 9.821 1.00 0.00 H new ATOM 276 N TYR A 21 2.363 -2.713 7.802 1.00 0.00 N ATOM 277 CA TYR A 21 1.825 -3.341 6.608 1.00 0.00 C ATOM 278 C TYR A 21 0.375 -3.780 6.824 1.00 0.00 C ATOM 279 O TYR A 21 -0.168 -3.624 7.917 1.00 0.00 O ATOM 280 CB TYR A 21 2.688 -4.580 6.358 1.00 0.00 C ATOM 281 CG TYR A 21 2.246 -5.815 7.145 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.339 -5.825 8.522 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.756 -6.919 6.478 1.00 0.00 C ATOM 284 CE1 TYR A 21 1.923 -6.987 9.263 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.341 -8.082 7.219 1.00 0.00 C ATOM 286 CZ TYR A 21 1.445 -8.059 8.575 1.00 0.00 C ATOM 287 OH TYR A 21 1.053 -9.157 9.275 1.00 0.00 O ATOM 0 H TYR A 21 1.851 -2.919 8.660 1.00 0.00 H new ATOM 0 HA TYR A 21 1.839 -2.645 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.670 -4.814 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.721 -4.348 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.724 -4.961 9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.684 -6.911 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.989 -7.007 10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.956 -8.953 6.709 1.00 0.00 H new ATOM 0 HH TYR A 21 0.733 -9.844 8.654 1.00 0.00 H new ATOM 297 N VAL A 22 -0.211 -4.320 5.766 1.00 0.00 N ATOM 298 CA VAL A 22 -1.587 -4.782 5.826 1.00 0.00 C ATOM 299 C VAL A 22 -1.749 -6.008 4.925 1.00 0.00 C ATOM 300 O VAL A 22 -1.275 -6.015 3.790 1.00 0.00 O ATOM 301 CB VAL A 22 -2.539 -3.641 5.461 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.930 -3.878 6.051 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.975 -2.292 5.911 1.00 0.00 C ATOM 0 H VAL A 22 0.242 -4.448 4.861 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.843 -5.088 6.840 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.635 -3.619 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.587 -3.053 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.337 -4.811 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.859 -3.940 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.671 -1.498 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.835 -2.298 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.016 -2.117 5.422 1.00 0.00 H new ATOM 313 N SER A 23 -2.420 -7.015 5.464 1.00 0.00 N ATOM 314 CA SER A 23 -2.650 -8.243 4.723 1.00 0.00 C ATOM 315 C SER A 23 -4.092 -8.283 4.213 1.00 0.00 C ATOM 316 O SER A 23 -4.995 -8.719 4.926 1.00 0.00 O ATOM 317 CB SER A 23 -2.358 -9.471 5.587 1.00 0.00 C ATOM 318 OG SER A 23 -1.161 -10.133 5.188 1.00 0.00 O ATOM 0 H SER A 23 -2.812 -7.005 6.406 1.00 0.00 H new ATOM 0 HA SER A 23 -1.969 -8.262 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.274 -9.168 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.195 -10.166 5.523 1.00 0.00 H new ATOM 0 HG SER A 23 -1.156 -10.241 4.214 1.00 0.00 H new ATOM 324 N VAL A 24 -4.264 -7.823 2.982 1.00 0.00 N ATOM 325 CA VAL A 24 -5.581 -7.801 2.368 1.00 0.00 C ATOM 326 C VAL A 24 -5.763 -9.060 1.518 1.00 0.00 C ATOM 327 O VAL A 24 -5.016 -9.286 0.568 1.00 0.00 O ATOM 328 CB VAL A 24 -5.765 -6.509 1.570 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.168 -6.435 0.963 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.477 -5.283 2.438 1.00 0.00 C ATOM 0 H VAL A 24 -3.513 -7.463 2.393 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.359 -7.809 3.132 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.046 -6.515 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.273 -5.507 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.321 -7.283 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.911 -6.462 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.615 -4.378 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.161 -5.270 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.450 -5.327 2.800 1.00 0.00 H new ATOM 340 N LYS A 25 -6.762 -9.848 1.891 1.00 0.00 N ATOM 341 CA LYS A 25 -7.052 -11.078 1.175 1.00 0.00 C ATOM 342 C LYS A 25 -7.934 -10.763 -0.035 1.00 0.00 C ATOM 343 O LYS A 25 -9.148 -10.614 0.100 1.00 0.00 O ATOM 344 CB LYS A 25 -7.653 -12.120 2.120 1.00 0.00 C ATOM 345 CG LYS A 25 -7.680 -13.503 1.467 1.00 0.00 C ATOM 346 CD LYS A 25 -8.589 -14.459 2.243 1.00 0.00 C ATOM 347 CE LYS A 25 -8.408 -15.900 1.762 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.433 -16.241 0.750 1.00 0.00 N ATOM 0 H LYS A 25 -7.380 -9.658 2.680 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.133 -11.522 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.070 -12.160 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.665 -11.825 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.031 -13.417 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.669 -13.909 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.364 -14.396 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.629 -14.158 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.412 -16.025 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.482 -16.584 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.296 -17.222 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.380 -16.141 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.344 -15.600 -0.064 1.00 0.00 H new ATOM 362 N ALA A 26 -7.291 -10.672 -1.189 1.00 0.00 N ATOM 363 CA ALA A 26 -8.002 -10.377 -2.421 1.00 0.00 C ATOM 364 C ALA A 26 -7.792 -11.523 -3.413 1.00 0.00 C ATOM 365 O ALA A 26 -7.114 -12.501 -3.102 1.00 0.00 O ATOM 366 CB ALA A 26 -7.528 -9.032 -2.976 1.00 0.00 C ATOM 0 H ALA A 26 -6.285 -10.797 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.073 -10.293 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.062 -8.811 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.726 -8.247 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.458 -9.078 -3.177 1.00 0.00 H new ATOM 372 N LYS A 27 -8.386 -11.364 -4.586 1.00 0.00 N ATOM 373 CA LYS A 27 -8.273 -12.374 -5.625 1.00 0.00 C ATOM 374 C LYS A 27 -6.906 -12.251 -6.302 1.00 0.00 C ATOM 375 O LYS A 27 -6.128 -11.355 -5.980 1.00 0.00 O ATOM 376 CB LYS A 27 -9.451 -12.278 -6.597 1.00 0.00 C ATOM 377 CG LYS A 27 -10.775 -12.144 -5.841 1.00 0.00 C ATOM 378 CD LYS A 27 -11.196 -13.482 -5.232 1.00 0.00 C ATOM 379 CE LYS A 27 -12.196 -14.205 -6.136 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.485 -14.397 -5.435 1.00 0.00 N ATOM 0 H LYS A 27 -8.947 -10.551 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.327 -13.373 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.315 -11.420 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.478 -13.165 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.674 -11.397 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.551 -11.789 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.318 -14.109 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.641 -13.315 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.354 -13.629 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.791 -15.172 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.152 -14.889 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.333 -14.966 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.878 -13.471 -5.171 1.00 0.00 H new ATOM 394 N VAL A 28 -6.656 -13.165 -7.228 1.00 0.00 N ATOM 395 CA VAL A 28 -5.397 -13.171 -7.953 1.00 0.00 C ATOM 396 C VAL A 28 -5.481 -12.186 -9.121 1.00 0.00 C ATOM 397 O VAL A 28 -4.483 -11.924 -9.790 1.00 0.00 O ATOM 398 CB VAL A 28 -5.054 -14.595 -8.396 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.896 -15.011 -9.604 1.00 0.00 C ATOM 400 CG2 VAL A 28 -3.560 -14.732 -8.696 1.00 0.00 C ATOM 0 H VAL A 28 -7.304 -13.907 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.583 -12.841 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.293 -15.268 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.633 -16.027 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.953 -14.972 -9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.703 -14.331 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.344 -15.754 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.284 -14.042 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.986 -14.498 -7.800 1.00 0.00 H new ATOM 410 N SER A 29 -6.682 -11.667 -9.330 1.00 0.00 N ATOM 411 CA SER A 29 -6.910 -10.717 -10.406 1.00 0.00 C ATOM 412 C SER A 29 -7.690 -9.510 -9.880 1.00 0.00 C ATOM 413 O SER A 29 -8.438 -8.878 -10.625 1.00 0.00 O ATOM 414 CB SER A 29 -7.662 -11.370 -11.567 1.00 0.00 C ATOM 415 OG SER A 29 -7.354 -12.755 -11.691 1.00 0.00 O ATOM 0 H SER A 29 -7.508 -11.886 -8.773 1.00 0.00 H new ATOM 0 HA SER A 29 -5.942 -10.382 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.735 -11.249 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.410 -10.858 -12.496 1.00 0.00 H new ATOM 0 HG SER A 29 -7.855 -13.136 -12.442 1.00 0.00 H new ATOM 421 N SER A 30 -7.487 -9.225 -8.602 1.00 0.00 N ATOM 422 CA SER A 30 -8.161 -8.105 -7.969 1.00 0.00 C ATOM 423 C SER A 30 -7.402 -6.807 -8.255 1.00 0.00 C ATOM 424 O SER A 30 -6.211 -6.836 -8.562 1.00 0.00 O ATOM 425 CB SER A 30 -8.292 -8.322 -6.460 1.00 0.00 C ATOM 426 OG SER A 30 -7.165 -9.006 -5.920 1.00 0.00 O ATOM 0 H SER A 30 -6.865 -9.751 -7.988 1.00 0.00 H new ATOM 0 HA SER A 30 -9.165 -8.030 -8.386 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.403 -7.358 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.197 -8.894 -6.253 1.00 0.00 H new ATOM 0 HG SER A 30 -7.197 -9.949 -6.185 1.00 0.00 H new ATOM 432 N ILE A 31 -8.122 -5.701 -8.144 1.00 0.00 N ATOM 433 CA ILE A 31 -7.531 -4.396 -8.386 1.00 0.00 C ATOM 434 C ILE A 31 -6.968 -3.844 -7.075 1.00 0.00 C ATOM 435 O ILE A 31 -7.279 -4.352 -5.999 1.00 0.00 O ATOM 436 CB ILE A 31 -8.542 -3.466 -9.060 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.856 -3.425 -8.276 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.760 -3.861 -10.522 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.650 -2.159 -8.605 1.00 0.00 C ATOM 0 H ILE A 31 -9.110 -5.681 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.696 -4.480 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.132 -2.456 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.453 -4.305 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.647 -3.460 -7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.483 -3.184 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.814 -3.798 -11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.138 -4.882 -10.570 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.579 -2.154 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.059 -1.281 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.878 -2.139 -9.671 1.00 0.00 H new ATOM 451 N ALA A 32 -6.148 -2.812 -7.208 1.00 0.00 N ATOM 452 CA ALA A 32 -5.538 -2.186 -6.047 1.00 0.00 C ATOM 453 C ALA A 32 -6.636 -1.625 -5.140 1.00 0.00 C ATOM 454 O ALA A 32 -6.581 -1.785 -3.922 1.00 0.00 O ATOM 455 CB ALA A 32 -4.554 -1.108 -6.506 1.00 0.00 C ATOM 0 H ALA A 32 -5.892 -2.393 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.974 -2.917 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.096 -0.638 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.778 -1.562 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.085 -0.354 -7.087 1.00 0.00 H new ATOM 461 N GLN A 33 -7.606 -0.979 -5.770 1.00 0.00 N ATOM 462 CA GLN A 33 -8.714 -0.393 -5.035 1.00 0.00 C ATOM 463 C GLN A 33 -9.273 -1.399 -4.026 1.00 0.00 C ATOM 464 O GLN A 33 -9.527 -1.051 -2.874 1.00 0.00 O ATOM 465 CB GLN A 33 -9.809 0.092 -5.988 1.00 0.00 C ATOM 466 CG GLN A 33 -11.152 0.209 -5.266 1.00 0.00 C ATOM 467 CD GLN A 33 -11.886 1.487 -5.676 1.00 0.00 C ATOM 468 OE1 GLN A 33 -12.992 1.461 -6.191 1.00 0.00 O ATOM 469 NE2 GLN A 33 -11.211 2.604 -5.421 1.00 0.00 N ATOM 0 H GLN A 33 -7.648 -0.848 -6.781 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.343 0.474 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.531 1.060 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.901 -0.601 -6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.770 -0.659 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.991 0.208 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.289 2.555 -4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.615 3.510 -5.659 1.00 0.00 H new ATOM 478 N GLU A 34 -9.447 -2.625 -4.496 1.00 0.00 N ATOM 479 CA GLU A 34 -9.970 -3.684 -3.649 1.00 0.00 C ATOM 480 C GLU A 34 -9.104 -3.839 -2.397 1.00 0.00 C ATOM 481 O GLU A 34 -9.558 -4.372 -1.386 1.00 0.00 O ATOM 482 CB GLU A 34 -10.066 -5.004 -4.417 1.00 0.00 C ATOM 483 CG GLU A 34 -11.269 -5.002 -5.362 1.00 0.00 C ATOM 484 CD GLU A 34 -11.429 -6.360 -6.049 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.592 -7.354 -5.309 1.00 0.00 O ATOM 486 OE2 GLU A 34 -11.386 -6.373 -7.298 1.00 0.00 O ATOM 0 H GLU A 34 -9.235 -2.909 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.978 -3.409 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.151 -5.164 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.153 -5.832 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.174 -4.764 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.144 -4.223 -6.114 1.00 0.00 H new ATOM 493 N ILE A 35 -7.872 -3.365 -2.507 1.00 0.00 N ATOM 494 CA ILE A 35 -6.938 -3.444 -1.396 1.00 0.00 C ATOM 495 C ILE A 35 -6.888 -2.094 -0.679 1.00 0.00 C ATOM 496 O ILE A 35 -7.010 -2.031 0.543 1.00 0.00 O ATOM 497 CB ILE A 35 -5.572 -3.935 -1.880 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.724 -5.023 -2.944 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.708 -4.399 -0.705 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.680 -6.121 -2.472 1.00 0.00 C ATOM 0 H ILE A 35 -7.499 -2.925 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.276 -4.179 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.056 -3.097 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.098 -4.583 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.749 -5.456 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.743 -4.743 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.556 -3.569 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.209 -5.216 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.771 -6.882 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.291 -6.575 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.660 -5.689 -2.272 1.00 0.00 H new ATOM 512 N LEU A 36 -6.710 -1.046 -1.470 1.00 0.00 N ATOM 513 CA LEU A 36 -6.643 0.299 -0.926 1.00 0.00 C ATOM 514 C LEU A 36 -7.901 0.575 -0.101 1.00 0.00 C ATOM 515 O LEU A 36 -7.828 1.178 0.969 1.00 0.00 O ATOM 516 CB LEU A 36 -6.404 1.318 -2.042 1.00 0.00 C ATOM 517 CG LEU A 36 -6.068 2.741 -1.592 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.613 2.840 -1.129 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.390 3.755 -2.692 1.00 0.00 C ATOM 0 H LEU A 36 -6.610 -1.102 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.792 0.394 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.590 0.955 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.296 1.357 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.696 2.986 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.400 3.862 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.451 2.161 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.950 2.568 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.142 4.758 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.806 3.523 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.452 3.706 -2.932 1.00 0.00 H new ATOM 531 N LYS A 37 -9.028 0.119 -0.630 1.00 0.00 N ATOM 532 CA LYS A 37 -10.301 0.309 0.044 1.00 0.00 C ATOM 533 C LYS A 37 -10.266 -0.399 1.400 1.00 0.00 C ATOM 534 O LYS A 37 -10.897 0.050 2.356 1.00 0.00 O ATOM 535 CB LYS A 37 -11.455 -0.140 -0.854 1.00 0.00 C ATOM 536 CG LYS A 37 -11.373 -1.640 -1.144 1.00 0.00 C ATOM 537 CD LYS A 37 -12.437 -2.409 -0.359 1.00 0.00 C ATOM 538 CE LYS A 37 -12.640 -3.811 -0.938 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.880 -3.863 -1.744 1.00 0.00 N ATOM 0 H LYS A 37 -9.085 -0.381 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.474 1.367 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.406 0.089 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.430 0.417 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.506 -1.815 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.383 -2.011 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.139 -2.483 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.379 -1.861 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.785 -4.083 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.693 -4.541 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.003 -4.821 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.695 -3.624 -1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.815 -3.181 -2.526 1.00 0.00 H new ATOM 553 N VAL A 38 -9.522 -1.495 1.441 1.00 0.00 N ATOM 554 CA VAL A 38 -9.396 -2.269 2.663 1.00 0.00 C ATOM 555 C VAL A 38 -8.341 -1.625 3.564 1.00 0.00 C ATOM 556 O VAL A 38 -8.635 -1.244 4.696 1.00 0.00 O ATOM 557 CB VAL A 38 -9.085 -3.730 2.328 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.215 -4.616 3.568 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.982 -4.235 1.197 1.00 0.00 C ATOM 0 H VAL A 38 -9.000 -1.865 0.646 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.337 -2.269 3.213 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.052 -3.783 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.989 -5.649 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.516 -4.277 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.233 -4.555 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.741 -5.275 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.026 -4.161 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.819 -3.630 0.305 1.00 0.00 H new ATOM 569 N VAL A 39 -7.134 -1.523 3.028 1.00 0.00 N ATOM 570 CA VAL A 39 -6.033 -0.931 3.769 1.00 0.00 C ATOM 571 C VAL A 39 -6.499 0.380 4.405 1.00 0.00 C ATOM 572 O VAL A 39 -6.376 0.566 5.614 1.00 0.00 O ATOM 573 CB VAL A 39 -4.820 -0.754 2.853 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.682 -0.038 3.582 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.354 -2.100 2.295 1.00 0.00 C ATOM 0 H VAL A 39 -6.894 -1.840 2.089 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.718 -1.591 4.578 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.123 -0.130 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.832 0.075 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.020 0.946 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.381 -0.624 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.491 -1.946 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.077 -2.759 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.161 -2.555 1.722 1.00 0.00 H new ATOM 585 N ALA A 40 -7.023 1.256 3.561 1.00 0.00 N ATOM 586 CA ALA A 40 -7.508 2.545 4.025 1.00 0.00 C ATOM 587 C ALA A 40 -8.222 2.364 5.366 1.00 0.00 C ATOM 588 O ALA A 40 -8.005 3.137 6.298 1.00 0.00 O ATOM 589 CB ALA A 40 -8.416 3.163 2.960 1.00 0.00 C ATOM 0 H ALA A 40 -7.123 1.099 2.558 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.677 3.233 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.780 4.130 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.853 3.298 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.263 2.502 2.776 1.00 0.00 H new ATOM 595 N GLU A 41 -9.059 1.338 5.421 1.00 0.00 N ATOM 596 CA GLU A 41 -9.806 1.045 6.632 1.00 0.00 C ATOM 597 C GLU A 41 -8.864 0.542 7.728 1.00 0.00 C ATOM 598 O GLU A 41 -8.958 0.971 8.877 1.00 0.00 O ATOM 599 CB GLU A 41 -10.919 0.032 6.358 1.00 0.00 C ATOM 600 CG GLU A 41 -11.650 0.360 5.055 1.00 0.00 C ATOM 601 CD GLU A 41 -13.127 0.664 5.316 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.397 1.337 6.333 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.953 0.215 4.492 1.00 0.00 O ATOM 0 H GLU A 41 -9.236 0.699 4.646 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.275 1.966 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.496 -0.971 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.627 0.032 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.178 1.217 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.564 -0.479 4.365 1.00 0.00 H new ATOM 610 N LYS A 42 -7.977 -0.360 7.333 1.00 0.00 N ATOM 611 CA LYS A 42 -7.019 -0.926 8.268 1.00 0.00 C ATOM 612 C LYS A 42 -6.284 0.207 8.986 1.00 0.00 C ATOM 613 O LYS A 42 -5.860 0.049 10.130 1.00 0.00 O ATOM 614 CB LYS A 42 -6.089 -1.907 7.552 1.00 0.00 C ATOM 615 CG LYS A 42 -6.406 -3.351 7.948 1.00 0.00 C ATOM 616 CD LYS A 42 -7.892 -3.659 7.753 1.00 0.00 C ATOM 617 CE LYS A 42 -8.126 -4.431 6.452 1.00 0.00 C ATOM 618 NZ LYS A 42 -8.533 -5.824 6.742 1.00 0.00 N ATOM 0 H LYS A 42 -7.902 -0.713 6.379 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.531 -1.509 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.193 -1.791 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.052 -1.677 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.807 -4.036 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.130 -3.515 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.260 -4.242 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.461 -2.729 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.897 -3.936 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.216 -4.429 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.688 -6.334 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.784 -6.298 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.414 -5.820 7.295 1.00 0.00 H new ATOM 632 N ILE A 43 -6.154 1.323 8.285 1.00 0.00 N ATOM 633 CA ILE A 43 -5.477 2.482 8.841 1.00 0.00 C ATOM 634 C ILE A 43 -6.518 3.518 9.271 1.00 0.00 C ATOM 635 O ILE A 43 -6.219 4.412 10.063 1.00 0.00 O ATOM 636 CB ILE A 43 -4.442 3.024 7.853 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.081 4.015 6.878 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.729 1.882 7.125 1.00 0.00 C ATOM 639 CD1 ILE A 43 -4.014 4.744 6.060 1.00 0.00 C ATOM 0 H ILE A 43 -6.506 1.450 7.336 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.916 2.203 9.733 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.685 3.570 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.759 3.486 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.679 4.740 7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.999 2.294 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.220 1.249 7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.460 1.289 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.495 5.442 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.352 5.292 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.434 4.018 5.490 1.00 0.00 H new ATOM 651 N GLN A 44 -7.717 3.364 8.731 1.00 0.00 N ATOM 652 CA GLN A 44 -8.804 4.275 9.049 1.00 0.00 C ATOM 653 C GLN A 44 -8.633 5.591 8.288 1.00 0.00 C ATOM 654 O GLN A 44 -8.609 6.663 8.891 1.00 0.00 O ATOM 655 CB GLN A 44 -8.890 4.521 10.557 1.00 0.00 C ATOM 656 CG GLN A 44 -8.783 3.207 11.333 1.00 0.00 C ATOM 657 CD GLN A 44 -9.179 3.402 12.798 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.144 4.076 13.123 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.384 2.778 13.662 1.00 0.00 N ATOM 0 H GLN A 44 -7.961 2.622 8.075 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.741 3.815 8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.091 5.196 10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.833 5.013 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.427 2.457 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.762 2.829 11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.593 2.230 13.323 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.565 2.847 14.663 1.00 0.00 H new ATOM 668 N TYR A 45 -8.520 5.467 6.973 1.00 0.00 N ATOM 669 CA TYR A 45 -8.352 6.633 6.123 1.00 0.00 C ATOM 670 C TYR A 45 -9.286 6.569 4.914 1.00 0.00 C ATOM 671 O TYR A 45 -10.231 5.782 4.896 1.00 0.00 O ATOM 672 CB TYR A 45 -6.902 6.595 5.635 1.00 0.00 C ATOM 673 CG TYR A 45 -6.008 7.670 6.256 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.534 7.515 7.543 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.675 8.795 5.529 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.692 8.527 8.127 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.834 9.807 6.113 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.383 9.623 7.383 1.00 0.00 C ATOM 679 OH TYR A 45 -3.588 10.578 7.934 1.00 0.00 O ATOM 0 H TYR A 45 -8.542 4.577 6.476 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.584 7.545 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.481 5.614 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.891 6.710 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.795 6.635 8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.045 8.916 4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.314 8.418 9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.567 10.692 5.555 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.450 11.302 7.288 1.00 0.00 H new ATOM 689 N ALA A 46 -8.990 7.409 3.932 1.00 0.00 N ATOM 690 CA ALA A 46 -9.792 7.457 2.722 1.00 0.00 C ATOM 691 C ALA A 46 -8.970 6.922 1.548 1.00 0.00 C ATOM 692 O ALA A 46 -8.096 7.616 1.031 1.00 0.00 O ATOM 693 CB ALA A 46 -10.278 8.889 2.488 1.00 0.00 C ATOM 0 H ALA A 46 -8.206 8.061 3.950 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.674 6.825 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.880 8.925 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.881 9.212 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.419 9.552 2.381 1.00 0.00 H new ATOM 699 N GLU A 47 -9.279 5.693 1.162 1.00 0.00 N ATOM 700 CA GLU A 47 -8.579 5.056 0.060 1.00 0.00 C ATOM 701 C GLU A 47 -8.309 6.071 -1.054 1.00 0.00 C ATOM 702 O GLU A 47 -7.275 6.009 -1.718 1.00 0.00 O ATOM 703 CB GLU A 47 -9.367 3.857 -0.471 1.00 0.00 C ATOM 704 CG GLU A 47 -10.834 4.223 -0.701 1.00 0.00 C ATOM 705 CD GLU A 47 -11.579 3.087 -1.405 1.00 0.00 C ATOM 706 OE1 GLU A 47 -10.994 2.531 -2.359 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.716 2.801 -0.973 1.00 0.00 O ATOM 0 H GLU A 47 -10.005 5.121 1.593 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.622 4.686 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.924 3.511 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.301 3.032 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.313 4.439 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.896 5.131 -1.302 1.00 0.00 H new ATOM 714 N GLU A 48 -9.256 6.981 -1.224 1.00 0.00 N ATOM 715 CA GLU A 48 -9.134 8.007 -2.245 1.00 0.00 C ATOM 716 C GLU A 48 -7.893 8.865 -1.989 1.00 0.00 C ATOM 717 O GLU A 48 -7.101 9.105 -2.900 1.00 0.00 O ATOM 718 CB GLU A 48 -10.395 8.871 -2.308 1.00 0.00 C ATOM 719 CG GLU A 48 -11.656 8.008 -2.230 1.00 0.00 C ATOM 720 CD GLU A 48 -12.760 8.569 -3.129 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.670 8.333 -4.353 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.670 9.220 -2.571 1.00 0.00 O ATOM 0 H GLU A 48 -10.112 7.029 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.020 7.518 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.390 9.588 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.400 9.446 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.421 6.987 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.008 7.964 -1.199 1.00 0.00 H new ATOM 729 N ASP A 49 -7.763 9.304 -0.746 1.00 0.00 N ATOM 730 CA ASP A 49 -6.632 10.131 -0.359 1.00 0.00 C ATOM 731 C ASP A 49 -5.371 9.267 -0.301 1.00 0.00 C ATOM 732 O ASP A 49 -4.272 9.779 -0.095 1.00 0.00 O ATOM 733 CB ASP A 49 -6.848 10.746 1.025 1.00 0.00 C ATOM 734 CG ASP A 49 -8.091 11.629 1.154 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.194 11.047 1.233 1.00 0.00 O ATOM 736 OD2 ASP A 49 -7.909 12.865 1.170 1.00 0.00 O ATOM 0 H ASP A 49 -8.422 9.103 0.006 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.529 10.928 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.915 9.941 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.971 11.339 1.283 1.00 0.00 H new ATOM 741 N LEU A 50 -5.571 7.970 -0.486 1.00 0.00 N ATOM 742 CA LEU A 50 -4.464 7.030 -0.457 1.00 0.00 C ATOM 743 C LEU A 50 -4.178 6.542 -1.879 1.00 0.00 C ATOM 744 O LEU A 50 -4.899 6.885 -2.814 1.00 0.00 O ATOM 745 CB LEU A 50 -4.745 5.900 0.536 1.00 0.00 C ATOM 746 CG LEU A 50 -4.768 6.296 2.014 1.00 0.00 C ATOM 747 CD1 LEU A 50 -4.938 5.067 2.908 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.523 7.106 2.383 1.00 0.00 C ATOM 0 H LEU A 50 -6.484 7.548 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.558 7.519 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.707 5.453 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.989 5.127 0.399 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.632 6.938 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.951 5.376 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.876 4.568 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.108 4.380 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.564 7.375 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.631 6.508 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.486 8.012 1.779 1.00 0.00 H new ATOM 760 N ALA A 51 -3.123 5.749 -1.997 1.00 0.00 N ATOM 761 CA ALA A 51 -2.732 5.210 -3.288 1.00 0.00 C ATOM 762 C ALA A 51 -1.672 4.126 -3.085 1.00 0.00 C ATOM 763 O ALA A 51 -0.882 4.194 -2.144 1.00 0.00 O ATOM 764 CB ALA A 51 -2.239 6.346 -4.187 1.00 0.00 C ATOM 0 H ALA A 51 -2.527 5.467 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.585 4.747 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.945 5.942 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.038 7.074 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.381 6.832 -3.722 1.00 0.00 H new ATOM 770 N LEU A 52 -1.690 3.150 -3.981 1.00 0.00 N ATOM 771 CA LEU A 52 -0.740 2.053 -3.912 1.00 0.00 C ATOM 772 C LEU A 52 0.572 2.477 -4.575 1.00 0.00 C ATOM 773 O LEU A 52 0.613 2.720 -5.780 1.00 0.00 O ATOM 774 CB LEU A 52 -1.347 0.781 -4.507 1.00 0.00 C ATOM 775 CG LEU A 52 -2.535 0.186 -3.748 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.402 0.429 -2.244 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.859 0.717 -4.300 1.00 0.00 C ATOM 0 H LEU A 52 -2.348 3.096 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.510 1.813 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.664 0.997 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.565 0.024 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.532 -0.893 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.259 -0.004 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.486 -0.037 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.366 1.501 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.687 0.279 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.887 1.802 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.948 0.449 -5.353 1.00 0.00 H new ATOM 789 N VAL A 53 1.613 2.553 -3.759 1.00 0.00 N ATOM 790 CA VAL A 53 2.923 2.943 -4.251 1.00 0.00 C ATOM 791 C VAL A 53 3.813 1.703 -4.357 1.00 0.00 C ATOM 792 O VAL A 53 4.214 1.133 -3.343 1.00 0.00 O ATOM 793 CB VAL A 53 3.517 4.030 -3.353 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.024 4.166 -3.580 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.807 5.368 -3.569 1.00 0.00 C ATOM 0 H VAL A 53 1.576 2.351 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 53 2.844 3.373 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 53 3.360 3.731 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.421 4.945 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.513 3.219 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.213 4.431 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.248 6.123 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.918 5.675 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.748 5.260 -3.333 1.00 0.00 H new ATOM 805 N ALA A 54 4.097 1.322 -5.594 1.00 0.00 N ATOM 806 CA ALA A 54 4.933 0.160 -5.846 1.00 0.00 C ATOM 807 C ALA A 54 6.350 0.622 -6.191 1.00 0.00 C ATOM 808 O ALA A 54 6.572 1.223 -7.241 1.00 0.00 O ATOM 809 CB ALA A 54 4.308 -0.687 -6.957 1.00 0.00 C ATOM 0 H ALA A 54 3.763 1.797 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 54 4.998 -0.467 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.935 -1.559 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.315 -1.014 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.229 -0.092 -7.867 1.00 0.00 H new ATOM 815 N ILE A 55 7.272 0.323 -5.288 1.00 0.00 N ATOM 816 CA ILE A 55 8.661 0.700 -5.483 1.00 0.00 C ATOM 817 C ILE A 55 9.434 -0.494 -6.050 1.00 0.00 C ATOM 818 O ILE A 55 9.062 -1.643 -5.820 1.00 0.00 O ATOM 819 CB ILE A 55 9.253 1.256 -4.187 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.283 2.229 -3.515 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.622 1.893 -4.438 1.00 0.00 C ATOM 822 CD1 ILE A 55 9.029 3.205 -2.602 1.00 0.00 C ATOM 0 H ILE A 55 7.084 -0.176 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 55 8.738 1.506 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 55 9.406 0.426 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.734 2.784 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.548 1.672 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.021 2.280 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.304 1.144 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.518 2.709 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.316 3.886 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.557 2.648 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.746 3.778 -3.190 1.00 0.00 H new ATOM 834 N THR A 56 10.495 -0.179 -6.778 1.00 0.00 N ATOM 835 CA THR A 56 11.323 -1.211 -7.379 1.00 0.00 C ATOM 836 C THR A 56 12.721 -1.200 -6.759 1.00 0.00 C ATOM 837 O THR A 56 13.015 -0.376 -5.895 1.00 0.00 O ATOM 838 CB THR A 56 11.327 -0.991 -8.893 1.00 0.00 C ATOM 839 OG1 THR A 56 12.183 -2.017 -9.390 1.00 0.00 O ATOM 840 CG2 THR A 56 12.031 0.307 -9.295 1.00 0.00 C ATOM 0 H THR A 56 10.800 0.776 -6.965 1.00 0.00 H new ATOM 0 HA THR A 56 10.922 -2.205 -7.182 1.00 0.00 H new ATOM 0 HB THR A 56 10.301 -0.976 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.811 -2.894 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.005 0.414 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.523 1.154 -8.835 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.067 0.278 -8.958 1.00 0.00 H new ATOM 848 N PHE A 57 13.548 -2.125 -7.226 1.00 0.00 N ATOM 849 CA PHE A 57 14.909 -2.232 -6.728 1.00 0.00 C ATOM 850 C PHE A 57 15.557 -0.852 -6.602 1.00 0.00 C ATOM 851 O PHE A 57 15.043 0.130 -7.136 1.00 0.00 O ATOM 852 CB PHE A 57 15.693 -3.060 -7.747 1.00 0.00 C ATOM 853 CG PHE A 57 16.158 -4.419 -7.220 1.00 0.00 C ATOM 854 CD1 PHE A 57 15.242 -5.357 -6.856 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.487 -4.689 -7.114 1.00 0.00 C ATOM 856 CE1 PHE A 57 15.674 -6.618 -6.366 1.00 0.00 C ATOM 857 CE2 PHE A 57 17.918 -5.951 -6.624 1.00 0.00 C ATOM 858 CZ PHE A 57 17.002 -6.888 -6.261 1.00 0.00 C ATOM 0 H PHE A 57 13.301 -2.807 -7.944 1.00 0.00 H new ATOM 0 HA PHE A 57 14.909 -2.695 -5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.071 -3.217 -8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.564 -2.490 -8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.187 -5.143 -6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.214 -3.944 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.947 -7.363 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.973 -6.166 -6.540 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.330 -7.847 -5.889 1.00 0.00 H new ATOM 868 N SER A 58 16.676 -0.822 -5.893 1.00 0.00 N ATOM 869 CA SER A 58 17.400 0.422 -5.691 1.00 0.00 C ATOM 870 C SER A 58 16.572 1.374 -4.825 1.00 0.00 C ATOM 871 O SER A 58 16.919 1.630 -3.672 1.00 0.00 O ATOM 872 CB SER A 58 17.743 1.083 -7.027 1.00 0.00 C ATOM 873 OG SER A 58 19.097 0.850 -7.405 1.00 0.00 O ATOM 0 H SER A 58 17.099 -1.639 -5.452 1.00 0.00 H new ATOM 0 HA SER A 58 18.335 0.194 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.079 0.700 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.566 2.156 -6.957 1.00 0.00 H new ATOM 0 HG SER A 58 19.277 1.286 -8.264 1.00 0.00 H new ATOM 879 N GLY A 59 15.495 1.872 -5.413 1.00 0.00 N ATOM 880 CA GLY A 59 14.615 2.790 -4.709 1.00 0.00 C ATOM 881 C GLY A 59 13.963 3.777 -5.680 1.00 0.00 C ATOM 882 O GLY A 59 14.479 4.871 -5.899 1.00 0.00 O ATOM 0 H GLY A 59 15.211 1.658 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.843 2.228 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.182 3.336 -3.955 1.00 0.00 H new ATOM 886 N GLU A 60 12.837 3.354 -6.236 1.00 0.00 N ATOM 887 CA GLU A 60 12.108 4.186 -7.178 1.00 0.00 C ATOM 888 C GLU A 60 10.601 4.035 -6.965 1.00 0.00 C ATOM 889 O GLU A 60 10.053 2.946 -7.130 1.00 0.00 O ATOM 890 CB GLU A 60 12.495 3.850 -8.619 1.00 0.00 C ATOM 891 CG GLU A 60 13.795 4.551 -9.016 1.00 0.00 C ATOM 892 CD GLU A 60 14.112 4.323 -10.495 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.517 5.048 -11.322 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.942 3.428 -10.767 1.00 0.00 O ATOM 0 H GLU A 60 12.412 2.445 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 60 12.377 5.227 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.612 2.772 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.694 4.152 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.711 5.620 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.615 4.178 -8.403 1.00 0.00 H new ATOM 901 N LYS A 61 9.972 5.143 -6.601 1.00 0.00 N ATOM 902 CA LYS A 61 8.539 5.147 -6.364 1.00 0.00 C ATOM 903 C LYS A 61 7.805 4.978 -7.696 1.00 0.00 C ATOM 904 O LYS A 61 8.283 5.434 -8.734 1.00 0.00 O ATOM 905 CB LYS A 61 8.128 6.401 -5.590 1.00 0.00 C ATOM 906 CG LYS A 61 8.760 6.418 -4.197 1.00 0.00 C ATOM 907 CD LYS A 61 7.866 7.156 -3.198 1.00 0.00 C ATOM 908 CE LYS A 61 8.695 7.762 -2.064 1.00 0.00 C ATOM 909 NZ LYS A 61 8.736 9.237 -2.183 1.00 0.00 N ATOM 0 H LYS A 61 10.429 6.045 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 61 8.255 4.304 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.433 7.290 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.042 6.438 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.925 5.396 -3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.736 6.901 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.314 7.944 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.129 6.467 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.267 7.481 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.708 7.361 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.303 9.632 -1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.165 9.500 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.769 9.616 -2.134 1.00 0.00 H new ATOM 923 N HIS A 62 6.656 4.322 -7.623 1.00 0.00 N ATOM 924 CA HIS A 62 5.852 4.088 -8.810 1.00 0.00 C ATOM 925 C HIS A 62 4.375 4.001 -8.420 1.00 0.00 C ATOM 926 O HIS A 62 3.955 3.043 -7.773 1.00 0.00 O ATOM 927 CB HIS A 62 6.341 2.847 -9.561 1.00 0.00 C ATOM 928 CG HIS A 62 6.828 3.130 -10.962 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.970 3.866 -11.224 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.317 2.767 -12.173 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.129 3.938 -12.537 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.104 3.256 -13.124 1.00 0.00 N ATOM 0 H HIS A 62 6.263 3.945 -6.760 1.00 0.00 H new ATOM 0 HA HIS A 62 5.961 4.925 -9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.149 2.386 -8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.530 2.121 -9.609 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.585 4.282 -10.525 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.424 2.181 -12.332 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.930 4.447 -13.052 1.00 0.00 H new ATOM 940 N GLU A 63 3.628 5.015 -8.831 1.00 0.00 N ATOM 941 CA GLU A 63 2.206 5.066 -8.533 1.00 0.00 C ATOM 942 C GLU A 63 1.399 4.482 -9.694 1.00 0.00 C ATOM 943 O GLU A 63 1.795 4.604 -10.853 1.00 0.00 O ATOM 944 CB GLU A 63 1.762 6.496 -8.221 1.00 0.00 C ATOM 945 CG GLU A 63 0.731 6.516 -7.091 1.00 0.00 C ATOM 946 CD GLU A 63 -0.609 7.069 -7.581 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.596 8.201 -8.111 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.616 6.347 -7.414 1.00 0.00 O ATOM 0 H GLU A 63 3.980 5.808 -9.368 1.00 0.00 H new ATOM 0 HA GLU A 63 2.019 4.461 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.627 7.096 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.336 6.951 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.592 5.507 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.101 7.126 -6.267 1.00 0.00 H new ATOM 955 N LEU A 64 0.282 3.862 -9.344 1.00 0.00 N ATOM 956 CA LEU A 64 -0.584 3.259 -10.343 1.00 0.00 C ATOM 957 C LEU A 64 -2.016 3.754 -10.135 1.00 0.00 C ATOM 958 O LEU A 64 -2.236 4.776 -9.487 1.00 0.00 O ATOM 959 CB LEU A 64 -0.450 1.735 -10.319 1.00 0.00 C ATOM 960 CG LEU A 64 0.803 1.183 -9.635 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.602 1.082 -8.122 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.217 -0.157 -10.248 1.00 0.00 C ATOM 0 H LEU A 64 -0.044 3.764 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.282 3.566 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.325 1.321 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.469 1.372 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 64 1.621 1.882 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.507 0.687 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.390 2.071 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.234 0.416 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.110 -0.527 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.408 -0.877 -10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.429 -0.022 -11.309 1.00 0.00 H new ATOM 974 N GLN A 65 -2.954 3.005 -10.695 1.00 0.00 N ATOM 975 CA GLN A 65 -4.360 3.354 -10.579 1.00 0.00 C ATOM 976 C GLN A 65 -5.050 2.445 -9.560 1.00 0.00 C ATOM 977 O GLN A 65 -4.521 1.395 -9.200 1.00 0.00 O ATOM 978 CB GLN A 65 -5.057 3.282 -11.939 1.00 0.00 C ATOM 979 CG GLN A 65 -4.915 4.602 -12.699 1.00 0.00 C ATOM 980 CD GLN A 65 -6.286 5.209 -13.006 1.00 0.00 C ATOM 981 OE1 GLN A 65 -7.067 4.682 -13.781 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.533 6.343 -12.356 1.00 0.00 N ATOM 0 H GLN A 65 -2.768 2.157 -11.231 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.431 4.383 -10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.629 2.471 -12.528 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.113 3.051 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.327 5.304 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.371 4.434 -13.629 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.834 6.730 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.421 6.826 -12.492 1.00 0.00 H new ATOM 991 N PRO A 66 -6.254 2.894 -9.113 1.00 0.00 N ATOM 992 CA PRO A 66 -7.022 2.133 -8.142 1.00 0.00 C ATOM 993 C PRO A 66 -7.680 0.916 -8.796 1.00 0.00 C ATOM 994 O PRO A 66 -8.302 0.102 -8.116 1.00 0.00 O ATOM 995 CB PRO A 66 -8.030 3.121 -7.576 1.00 0.00 C ATOM 996 CG PRO A 66 -8.098 4.264 -8.575 1.00 0.00 C ATOM 997 CD PRO A 66 -6.912 4.133 -9.517 1.00 0.00 C ATOM 0 HA PRO A 66 -6.402 1.718 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.007 2.654 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.718 3.478 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.034 4.228 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.071 5.224 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.235 4.089 -10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.239 4.986 -9.428 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.520 0.831 -10.109 1.00 0.00 N ATOM 1006 CA ASN A 67 -8.091 -0.272 -10.862 1.00 0.00 C ATOM 1007 C ASN A 67 -6.964 -1.169 -11.377 1.00 0.00 C ATOM 1008 O ASN A 67 -7.221 -2.207 -11.986 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.880 0.236 -12.071 1.00 0.00 C ATOM 1010 CG ASN A 67 -9.191 -0.905 -13.041 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -8.567 -1.060 -14.078 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -10.189 -1.692 -12.649 1.00 0.00 N ATOM 0 H ASN A 67 -7.003 1.508 -10.670 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.760 -0.822 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.809 0.697 -11.736 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.308 1.009 -12.584 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.474 -2.482 -13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.670 -1.506 -11.769 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.739 -0.737 -11.113 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.572 -1.489 -11.542 1.00 0.00 C ATOM 1021 C ASP A 68 -4.374 -2.689 -10.614 1.00 0.00 C ATOM 1022 O ASP A 68 -4.254 -2.527 -9.401 1.00 0.00 O ATOM 1023 CB ASP A 68 -3.309 -0.628 -11.478 1.00 0.00 C ATOM 1024 CG ASP A 68 -2.648 -0.348 -12.829 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.793 -1.171 -13.224 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -3.011 0.682 -13.436 1.00 0.00 O ATOM 0 H ASP A 68 -5.530 0.124 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.737 -1.811 -12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.560 0.323 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.584 -1.121 -10.831 1.00 0.00 H new ATOM 1031 N LEU A 69 -4.347 -3.867 -11.220 1.00 0.00 N ATOM 1032 CA LEU A 69 -4.166 -5.094 -10.464 1.00 0.00 C ATOM 1033 C LEU A 69 -3.119 -4.865 -9.372 1.00 0.00 C ATOM 1034 O LEU A 69 -2.238 -4.019 -9.519 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.833 -6.257 -11.400 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.956 -6.708 -12.336 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.607 -8.034 -13.013 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.292 -6.778 -11.594 1.00 0.00 C ATOM 0 H LEU A 69 -4.448 -3.997 -12.227 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.094 -5.373 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.973 -5.974 -12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.528 -7.110 -10.793 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.063 -5.963 -13.124 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.422 -8.331 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.693 -7.916 -13.596 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.456 -8.801 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.074 -7.101 -12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.215 -7.490 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.541 -5.793 -11.199 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.250 -5.633 -8.300 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.327 -5.524 -7.184 1.00 0.00 C ATOM 1052 C VAL A 70 -1.302 -6.658 -7.262 1.00 0.00 C ATOM 1053 O VAL A 70 -0.213 -6.478 -7.804 1.00 0.00 O ATOM 1054 CB VAL A 70 -3.101 -5.508 -5.864 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.957 -4.157 -5.161 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.573 -5.856 -6.088 1.00 0.00 C ATOM 0 H VAL A 70 -3.982 -6.333 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.777 -4.584 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.672 -6.271 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.516 -4.172 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.904 -3.966 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.347 -3.369 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.100 -5.838 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.020 -5.127 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.649 -6.851 -6.525 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.688 -7.800 -6.713 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.817 -8.963 -6.715 1.00 0.00 C ATOM 1068 C ILE A 71 -0.144 -9.089 -8.083 1.00 0.00 C ATOM 1069 O ILE A 71 1.060 -8.871 -8.209 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.591 -10.213 -6.292 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -0.765 -11.478 -6.534 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.952 -10.276 -6.989 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -0.677 -12.326 -5.264 1.00 0.00 C ATOM 0 H ILE A 71 -2.592 -7.945 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.022 -8.845 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.779 -10.152 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.216 -12.063 -7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.237 -11.205 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.482 -11.174 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.538 -9.396 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.807 -10.303 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.085 -13.219 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.204 -11.746 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.680 -12.618 -4.951 1.00 0.00 H new ATOM 1191 N ARG A 80 7.708 -4.752 -3.520 1.00 0.00 N ATOM 1192 CA ARG A 80 6.892 -4.437 -2.359 1.00 0.00 C ATOM 1193 C ARG A 80 6.083 -3.163 -2.610 1.00 0.00 C ATOM 1194 O ARG A 80 6.643 -2.127 -2.964 1.00 0.00 O ATOM 1195 CB ARG A 80 7.758 -4.246 -1.113 1.00 0.00 C ATOM 1196 CG ARG A 80 7.643 -5.450 -0.175 1.00 0.00 C ATOM 1197 CD ARG A 80 8.922 -6.290 -0.203 1.00 0.00 C ATOM 1198 NE ARG A 80 8.793 -7.438 0.722 1.00 0.00 N ATOM 1199 CZ ARG A 80 9.578 -8.523 0.687 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.554 -8.615 -0.227 1.00 0.00 N ATOM 1201 NH2 ARG A 80 9.388 -9.516 1.567 1.00 0.00 N ATOM 0 HA ARG A 80 6.215 -5.275 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.798 -4.107 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.452 -3.341 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.451 -5.107 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.793 -6.065 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.110 -6.647 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.776 -5.676 0.083 1.00 0.00 H new ATOM 0 HE ARG A 80 8.060 -7.401 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.699 -7.859 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.152 -9.441 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.646 -9.445 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.986 -10.342 1.541 1.00 0.00 H new ATOM 1215 N ILE A 81 4.777 -3.282 -2.416 1.00 0.00 N ATOM 1216 CA ILE A 81 3.885 -2.153 -2.617 1.00 0.00 C ATOM 1217 C ILE A 81 3.720 -1.398 -1.296 1.00 0.00 C ATOM 1218 O ILE A 81 3.954 -1.955 -0.225 1.00 0.00 O ATOM 1219 CB ILE A 81 2.562 -2.617 -3.229 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.739 -2.985 -4.704 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.466 -1.569 -3.027 1.00 0.00 C ATOM 1222 CD1 ILE A 81 1.403 -3.383 -5.334 1.00 0.00 C ATOM 0 H ILE A 81 4.316 -4.143 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 81 4.313 -1.453 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 81 2.243 -3.520 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.163 -2.139 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.447 -3.808 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.536 -1.924 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.317 -1.400 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.763 -0.635 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.557 -3.640 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.994 -4.244 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.705 -2.549 -5.264 1.00 0.00 H new ATOM 1234 N TYR A 82 3.318 -0.141 -1.416 1.00 0.00 N ATOM 1235 CA TYR A 82 3.119 0.696 -0.245 1.00 0.00 C ATOM 1236 C TYR A 82 1.913 1.619 -0.430 1.00 0.00 C ATOM 1237 O TYR A 82 1.282 1.618 -1.486 1.00 0.00 O ATOM 1238 CB TYR A 82 4.383 1.547 -0.115 1.00 0.00 C ATOM 1239 CG TYR A 82 5.671 0.732 0.023 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.322 0.274 -1.105 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.181 0.455 1.274 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.533 -0.494 -0.975 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.393 -0.313 1.404 1.00 0.00 C ATOM 1244 CZ TYR A 82 8.009 -0.749 0.273 1.00 0.00 C ATOM 1245 OH TYR A 82 9.154 -1.473 0.396 1.00 0.00 O ATOM 0 H TYR A 82 3.125 0.318 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 82 2.935 0.084 0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.466 2.192 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.282 2.198 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.923 0.492 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.672 0.814 2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.052 -0.859 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.803 -0.537 2.378 1.00 0.00 H new ATOM 0 HH TYR A 82 9.375 -1.576 1.345 1.00 0.00 H new ATOM 1255 N VAL A 83 1.630 2.386 0.613 1.00 0.00 N ATOM 1256 CA VAL A 83 0.512 3.313 0.579 1.00 0.00 C ATOM 1257 C VAL A 83 0.983 4.692 1.043 1.00 0.00 C ATOM 1258 O VAL A 83 1.705 4.805 2.033 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.647 2.765 1.414 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.316 2.808 2.907 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.943 3.523 1.118 1.00 0.00 C ATOM 0 H VAL A 83 2.156 2.384 1.487 1.00 0.00 H new ATOM 0 HA VAL A 83 0.139 3.423 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.797 1.722 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.157 2.413 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.570 2.204 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.125 3.838 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.751 3.113 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.810 4.578 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.193 3.418 0.062 1.00 0.00 H new ATOM 1271 N TYR A 84 0.556 5.707 0.307 1.00 0.00 N ATOM 1272 CA TYR A 84 0.926 7.075 0.630 1.00 0.00 C ATOM 1273 C TYR A 84 -0.316 7.952 0.805 1.00 0.00 C ATOM 1274 O TYR A 84 -1.362 7.676 0.219 1.00 0.00 O ATOM 1275 CB TYR A 84 1.734 7.587 -0.563 1.00 0.00 C ATOM 1276 CG TYR A 84 3.166 7.051 -0.622 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.391 5.691 -0.697 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.232 7.927 -0.599 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.739 5.187 -0.752 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.580 7.422 -0.654 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.767 6.077 -0.728 1.00 0.00 C ATOM 1282 OH TYR A 84 7.039 5.601 -0.779 1.00 0.00 O ATOM 0 H TYR A 84 -0.043 5.610 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 84 1.490 7.110 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.217 7.314 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.766 8.676 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.557 5.005 -0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.056 8.991 -0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.929 4.126 -0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.423 8.096 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 84 7.074 4.715 -0.362 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.158 8.990 1.612 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.254 9.909 1.871 1.00 0.00 C ATOM 1294 C ARG A 85 -1.280 11.015 0.814 1.00 0.00 C ATOM 1295 O ARG A 85 -0.236 11.402 0.289 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.125 10.542 3.258 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.503 10.840 3.854 1.00 0.00 C ATOM 1298 CD ARG A 85 -2.767 12.347 3.897 1.00 0.00 C ATOM 1299 NE ARG A 85 -4.217 12.602 4.052 1.00 0.00 N ATOM 1300 CZ ARG A 85 -4.744 13.807 4.308 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -3.945 14.874 4.438 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -6.071 13.945 4.434 1.00 0.00 N ATOM 0 H ARG A 85 0.712 9.216 2.095 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.182 9.339 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.576 9.871 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.547 11.464 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.274 10.349 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.565 10.427 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.220 12.797 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.403 12.815 2.982 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.854 11.811 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.935 14.769 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.347 15.791 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.680 13.133 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.472 14.862 4.629 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.483 11.493 0.533 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.659 12.546 -0.452 1.00 0.00 C ATOM 1318 C LYS A 86 -2.778 13.893 0.264 1.00 0.00 C ATOM 1319 O LYS A 86 -3.472 14.004 1.274 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.841 12.230 -1.370 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.435 11.246 -2.469 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.357 11.370 -3.683 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.635 12.040 -4.854 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.582 12.853 -5.650 1.00 0.00 N ATOM 0 H LYS A 86 -3.346 11.170 0.971 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.788 12.607 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.658 11.809 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.212 13.151 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.405 11.436 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.472 10.228 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.704 10.381 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.240 11.950 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.830 12.672 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.176 11.281 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.076 13.301 -6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.336 12.241 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.001 13.589 -5.046 1.00 0.00 H new ATOM 1424 N ASN A 93 4.005 11.157 0.291 1.00 0.00 N ATOM 1425 CA ASN A 93 5.099 11.043 1.240 1.00 0.00 C ATOM 1426 C ASN A 93 4.900 9.789 2.093 1.00 0.00 C ATOM 1427 O ASN A 93 3.769 9.389 2.361 1.00 0.00 O ATOM 1428 CB ASN A 93 5.142 12.251 2.178 1.00 0.00 C ATOM 1429 CG ASN A 93 5.678 13.488 1.455 1.00 0.00 C ATOM 1430 OD1 ASN A 93 6.833 13.861 1.580 1.00 0.00 O ATOM 1431 ND2 ASN A 93 4.777 14.102 0.693 1.00 0.00 N ATOM 0 HA ASN A 93 6.030 10.991 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.142 12.454 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.773 12.026 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.037 14.938 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.826 13.737 0.633 1.00 0.00 H new ATOM 1438 N PRO A 94 6.048 9.188 2.507 1.00 0.00 N ATOM 1439 CA PRO A 94 6.011 7.987 3.324 1.00 0.00 C ATOM 1440 C PRO A 94 5.623 8.317 4.767 1.00 0.00 C ATOM 1441 O PRO A 94 6.171 9.242 5.365 1.00 0.00 O ATOM 1442 CB PRO A 94 7.403 7.388 3.206 1.00 0.00 C ATOM 1443 CG PRO A 94 8.299 8.510 2.709 1.00 0.00 C ATOM 1444 CD PRO A 94 7.406 9.634 2.209 1.00 0.00 C ATOM 0 HA PRO A 94 5.256 7.275 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.748 7.010 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.409 6.547 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.946 8.865 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.948 8.154 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.633 10.574 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.542 9.803 1.141 1.00 0.00 H new ATOM 1452 N PHE A 95 4.681 7.543 5.285 1.00 0.00 N ATOM 1453 CA PHE A 95 4.214 7.742 6.646 1.00 0.00 C ATOM 1454 C PHE A 95 5.333 7.475 7.655 1.00 0.00 C ATOM 1455 O PHE A 95 6.348 6.869 7.315 1.00 0.00 O ATOM 1456 CB PHE A 95 3.082 6.739 6.881 1.00 0.00 C ATOM 1457 CG PHE A 95 1.690 7.284 6.553 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.166 8.299 7.292 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.977 6.754 5.523 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.126 8.804 6.987 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.314 7.259 5.219 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.839 8.274 5.958 1.00 0.00 C ATOM 0 H PHE A 95 4.228 6.777 4.786 1.00 0.00 H new ATOM 0 HA PHE A 95 3.881 8.771 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.265 5.851 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.101 6.423 7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.732 8.720 8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.393 5.949 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.542 9.610 7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.880 6.838 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.822 8.658 5.727 1.00 0.00 H new