USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 34 LYS NZ :NH3+ 151:sc= 0.266 (180deg=-0.0995) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.827! X(o=-0.56!,f=-0.67) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 47:sc= 0.0106 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.43) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -1.51! C(o=-1.5!,f=-6.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.8!) USER MOD Single : A 68 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=-0.0057) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -5:sc= 0.93 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.69) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=0.000904 USER MOD Single : A 92 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.8!) USER MOD Single : A 100 ASN : amide:sc= -2.35 K(o=-2.3,f=-9.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.332 2.173 7.339 1.00 0.00 N ATOM 119 CA VAL A 11 -20.504 2.118 6.140 1.00 0.00 C ATOM 120 C VAL A 11 -20.246 0.676 5.717 1.00 0.00 C ATOM 121 O VAL A 11 -20.414 -0.254 6.506 1.00 0.00 O ATOM 122 CB VAL A 11 -19.155 2.827 6.356 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.371 4.240 6.878 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.278 2.027 7.307 1.00 0.00 C ATOM 0 HA VAL A 11 -21.054 2.633 5.352 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.643 2.894 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.406 4.725 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.957 4.809 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.905 4.199 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.329 2.543 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.782 1.925 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.094 1.038 6.887 1.00 0.00 H new ATOM 134 N LYS A 12 -19.836 0.497 4.466 1.00 0.00 N ATOM 135 CA LYS A 12 -19.552 -0.832 3.936 1.00 0.00 C ATOM 136 C LYS A 12 -18.160 -1.297 4.352 1.00 0.00 C ATOM 137 O LYS A 12 -17.281 -0.482 4.629 1.00 0.00 O ATOM 138 CB LYS A 12 -19.666 -0.830 2.410 1.00 0.00 C ATOM 139 CG LYS A 12 -21.075 -1.090 1.905 1.00 0.00 C ATOM 140 CD LYS A 12 -21.225 -0.699 0.445 1.00 0.00 C ATOM 141 CE LYS A 12 -21.185 0.811 0.265 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.807 1.233 -1.021 1.00 0.00 N ATOM 0 H LYS A 12 -19.693 1.256 3.800 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.286 -1.525 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.325 0.133 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.997 -1.589 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.317 -2.146 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.788 -0.528 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.427 -1.157 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -22.167 -1.088 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.706 1.290 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.151 1.153 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.760 2.268 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.295 0.797 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.801 0.929 -1.042 1.00 0.00 H new ATOM 156 N GLU A 13 -17.968 -2.612 4.391 1.00 0.00 N ATOM 157 CA GLU A 13 -16.682 -3.184 4.772 1.00 0.00 C ATOM 158 C GLU A 13 -15.894 -3.620 3.540 1.00 0.00 C ATOM 159 O GLU A 13 -16.099 -4.714 3.013 1.00 0.00 O ATOM 160 CB GLU A 13 -16.886 -4.376 5.709 1.00 0.00 C ATOM 161 CG GLU A 13 -17.915 -5.375 5.206 1.00 0.00 C ATOM 162 CD GLU A 13 -18.098 -6.548 6.150 1.00 0.00 C ATOM 163 OE1 GLU A 13 -17.240 -7.455 6.145 1.00 0.00 O ATOM 164 OE2 GLU A 13 -19.101 -6.558 6.894 1.00 0.00 O ATOM 0 H GLU A 13 -18.686 -3.300 4.164 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.112 -2.415 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.933 -4.887 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.196 -4.010 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.871 -4.869 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.609 -5.745 4.227 1.00 0.00 H new ATOM 171 N LEU A 14 -14.992 -2.756 3.086 1.00 0.00 N ATOM 172 CA LEU A 14 -14.173 -3.051 1.915 1.00 0.00 C ATOM 173 C LEU A 14 -12.925 -3.836 2.307 1.00 0.00 C ATOM 174 O LEU A 14 -12.216 -3.470 3.245 1.00 0.00 O ATOM 175 CB LEU A 14 -13.772 -1.754 1.209 1.00 0.00 C ATOM 176 CG LEU A 14 -14.899 -0.754 0.952 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.332 0.592 0.529 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.856 -1.288 -0.104 1.00 0.00 C ATOM 0 H LEU A 14 -14.809 -1.847 3.510 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.765 -3.661 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.005 -1.261 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.316 -2.010 0.253 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.454 -0.616 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.149 1.291 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.688 0.980 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.752 0.471 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.652 -0.563 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.314 -1.456 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.289 -2.228 0.239 1.00 0.00 H new ATOM 190 N THR A 15 -12.661 -4.919 1.582 1.00 0.00 N ATOM 191 CA THR A 15 -11.499 -5.755 1.852 1.00 0.00 C ATOM 192 C THR A 15 -10.254 -5.207 1.164 1.00 0.00 C ATOM 193 O THR A 15 -10.001 -5.497 -0.005 1.00 0.00 O ATOM 194 CB THR A 15 -11.731 -7.206 1.389 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.911 -7.734 2.006 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.537 -8.082 1.735 1.00 0.00 C ATOM 0 H THR A 15 -13.237 -5.237 0.803 1.00 0.00 H new ATOM 0 HA THR A 15 -11.348 -5.745 2.931 1.00 0.00 H new ATOM 0 HB THR A 15 -11.857 -7.203 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.053 -8.656 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.724 -9.102 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.646 -7.694 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.384 -8.079 2.814 1.00 0.00 H new ATOM 204 N VAL A 16 -9.479 -4.414 1.897 1.00 0.00 N ATOM 205 CA VAL A 16 -8.259 -3.827 1.357 1.00 0.00 C ATOM 206 C VAL A 16 -7.059 -4.735 1.597 1.00 0.00 C ATOM 207 O VAL A 16 -6.659 -4.966 2.739 1.00 0.00 O ATOM 208 CB VAL A 16 -7.977 -2.447 1.981 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.710 -1.844 1.393 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.164 -1.518 1.777 1.00 0.00 C ATOM 0 H VAL A 16 -9.675 -4.163 2.866 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.413 -3.709 0.284 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.826 -2.576 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.527 -0.869 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.866 -2.503 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.829 -1.727 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.948 -0.548 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.349 -1.393 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.047 -1.947 2.251 1.00 0.00 H new ATOM 220 N SER A 17 -6.487 -5.249 0.513 1.00 0.00 N ATOM 221 CA SER A 17 -5.333 -6.137 0.605 1.00 0.00 C ATOM 222 C SER A 17 -4.295 -5.790 -0.457 1.00 0.00 C ATOM 223 O SER A 17 -4.583 -5.812 -1.654 1.00 0.00 O ATOM 224 CB SER A 17 -5.770 -7.594 0.451 1.00 0.00 C ATOM 225 OG SER A 17 -4.809 -8.477 1.003 1.00 0.00 O ATOM 0 H SER A 17 -6.803 -5.066 -0.439 1.00 0.00 H new ATOM 0 HA SER A 17 -4.880 -6.004 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.730 -7.743 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.915 -7.824 -0.605 1.00 0.00 H new ATOM 0 HG SER A 17 -5.113 -9.402 0.893 1.00 0.00 H new ATOM 231 N ALA A 18 -3.084 -5.470 -0.011 1.00 0.00 N ATOM 232 CA ALA A 18 -2.002 -5.120 -0.923 1.00 0.00 C ATOM 233 C ALA A 18 -1.461 -6.357 -1.632 1.00 0.00 C ATOM 234 O ALA A 18 -1.097 -6.301 -2.806 1.00 0.00 O ATOM 235 CB ALA A 18 -0.886 -4.411 -0.169 1.00 0.00 C ATOM 0 H ALA A 18 -2.828 -5.446 0.976 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.401 -4.445 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.084 -4.155 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.276 -3.501 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.497 -5.069 0.609 1.00 0.00 H new ATOM 241 N GLY A 19 -1.410 -7.473 -0.911 1.00 0.00 N ATOM 242 CA GLY A 19 -0.911 -8.707 -1.489 1.00 0.00 C ATOM 243 C GLY A 19 -0.214 -9.584 -0.468 1.00 0.00 C ATOM 244 O GLY A 19 -0.794 -10.549 0.031 1.00 0.00 O ATOM 0 H GLY A 19 -1.705 -7.544 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.740 -9.259 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.217 -8.472 -2.296 1.00 0.00 H new ATOM 248 N ASP A 20 1.034 -9.251 -0.158 1.00 0.00 N ATOM 249 CA ASP A 20 1.812 -10.017 0.809 1.00 0.00 C ATOM 250 C ASP A 20 3.165 -9.358 1.062 1.00 0.00 C ATOM 251 O ASP A 20 3.525 -8.385 0.402 1.00 0.00 O ATOM 252 CB ASP A 20 2.013 -11.450 0.315 1.00 0.00 C ATOM 253 CG ASP A 20 2.387 -12.402 1.434 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.570 -12.575 2.362 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.496 -12.973 1.383 1.00 0.00 O ATOM 0 H ASP A 20 1.529 -8.456 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 20 1.258 -10.040 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.097 -11.798 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.794 -11.463 -0.445 1.00 0.00 H new ATOM 260 N ASN A 21 3.909 -9.897 2.023 1.00 0.00 N ATOM 261 CA ASN A 21 5.222 -9.360 2.364 1.00 0.00 C ATOM 262 C ASN A 21 6.187 -9.496 1.190 1.00 0.00 C ATOM 263 O ASN A 21 6.320 -10.570 0.602 1.00 0.00 O ATOM 264 CB ASN A 21 5.787 -10.081 3.589 1.00 0.00 C ATOM 265 CG ASN A 21 6.006 -11.561 3.340 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.899 -11.949 2.588 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.188 -12.394 3.972 1.00 0.00 N ATOM 0 H ASN A 21 3.626 -10.704 2.579 1.00 0.00 H new ATOM 0 HA ASN A 21 5.106 -8.301 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.732 -9.620 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.104 -9.954 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.286 -13.401 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.461 -12.027 4.586 1.00 0.00 H new ATOM 274 N LEU A 22 6.858 -8.400 0.854 1.00 0.00 N ATOM 275 CA LEU A 22 7.812 -8.395 -0.250 1.00 0.00 C ATOM 276 C LEU A 22 9.237 -8.215 0.263 1.00 0.00 C ATOM 277 O LEU A 22 9.467 -7.521 1.254 1.00 0.00 O ATOM 278 CB LEU A 22 7.470 -7.282 -1.242 1.00 0.00 C ATOM 279 CG LEU A 22 6.013 -7.218 -1.703 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.461 -8.618 -1.923 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.166 -6.462 -0.690 1.00 0.00 C ATOM 0 H LEU A 22 6.759 -7.503 1.330 1.00 0.00 H new ATOM 0 HA LEU A 22 7.747 -9.357 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.729 -6.326 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.104 -7.399 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 22 5.975 -6.681 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.423 -8.553 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.051 -9.126 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.512 -9.180 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.132 -6.426 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.210 -6.971 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.548 -5.447 -0.582 1.00 0.00 H new ATOM 293 N ILE A 23 10.190 -8.841 -0.419 1.00 0.00 N ATOM 294 CA ILE A 23 11.592 -8.746 -0.034 1.00 0.00 C ATOM 295 C ILE A 23 12.475 -8.453 -1.242 1.00 0.00 C ATOM 296 O ILE A 23 12.475 -9.201 -2.221 1.00 0.00 O ATOM 297 CB ILE A 23 12.080 -10.042 0.641 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.201 -10.375 1.848 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.536 -9.905 1.060 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.627 -11.630 2.578 1.00 0.00 C ATOM 0 H ILE A 23 10.016 -9.419 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 23 11.668 -7.924 0.678 1.00 0.00 H new ATOM 0 HB ILE A 23 12.005 -10.859 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.220 -9.536 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.169 -10.490 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.866 -10.829 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.151 -9.709 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.636 -9.079 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.959 -11.804 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.581 -12.480 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.648 -11.511 2.941 1.00 0.00 H new ATOM 312 N ILE A 24 13.229 -7.361 -1.166 1.00 0.00 N ATOM 313 CA ILE A 24 14.119 -6.971 -2.253 1.00 0.00 C ATOM 314 C ILE A 24 15.581 -7.102 -1.839 1.00 0.00 C ATOM 315 O ILE A 24 15.894 -7.231 -0.655 1.00 0.00 O ATOM 316 CB ILE A 24 13.853 -5.523 -2.706 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.375 -4.675 -1.525 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.828 -5.500 -3.830 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.039 -3.249 -1.901 1.00 0.00 C ATOM 0 H ILE A 24 13.241 -6.731 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 24 13.917 -7.646 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 24 14.784 -5.098 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.494 -5.143 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.149 -4.667 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.650 -4.470 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.204 -6.074 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.894 -5.940 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.708 -2.708 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.923 -2.763 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.243 -3.247 -2.646 1.00 0.00 H new ATOM 331 N THR A 25 16.474 -7.065 -2.823 1.00 0.00 N ATOM 332 CA THR A 25 17.903 -7.179 -2.563 1.00 0.00 C ATOM 333 C THR A 25 18.690 -6.134 -3.345 1.00 0.00 C ATOM 334 O THR A 25 18.511 -5.985 -4.555 1.00 0.00 O ATOM 335 CB THR A 25 18.431 -8.580 -2.926 1.00 0.00 C ATOM 336 OG1 THR A 25 17.635 -9.584 -2.286 1.00 0.00 O ATOM 337 CG2 THR A 25 19.885 -8.736 -2.507 1.00 0.00 C ATOM 0 H THR A 25 16.232 -6.957 -3.808 1.00 0.00 H new ATOM 0 HA THR A 25 18.043 -7.011 -1.495 1.00 0.00 H new ATOM 0 HB THR A 25 18.366 -8.699 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.976 -10.472 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.236 -9.733 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.493 -7.989 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.970 -8.598 -1.429 1.00 0.00 H new ATOM 345 N LEU A 26 19.561 -5.412 -2.649 1.00 0.00 N ATOM 346 CA LEU A 26 20.377 -4.380 -3.279 1.00 0.00 C ATOM 347 C LEU A 26 21.101 -4.931 -4.504 1.00 0.00 C ATOM 348 O LEU A 26 21.338 -6.132 -4.627 1.00 0.00 O ATOM 349 CB LEU A 26 21.393 -3.823 -2.280 1.00 0.00 C ATOM 350 CG LEU A 26 20.851 -2.819 -1.262 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.986 -2.232 -0.436 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.074 -1.715 -1.964 1.00 0.00 C ATOM 0 H LEU A 26 19.720 -5.522 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 26 19.716 -3.576 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.834 -4.659 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.198 -3.345 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 26 20.172 -3.343 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.582 -1.520 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.501 -3.032 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.690 -1.723 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.696 -1.010 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.731 -1.193 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.238 -2.150 -2.511 1.00 0.00 H new ATOM 364 N PRO A 27 21.463 -4.032 -5.432 1.00 0.00 N ATOM 365 CA PRO A 27 21.185 -2.599 -5.296 1.00 0.00 C ATOM 366 C PRO A 27 19.699 -2.281 -5.427 1.00 0.00 C ATOM 367 O PRO A 27 19.229 -1.255 -4.936 1.00 0.00 O ATOM 368 CB PRO A 27 21.969 -1.975 -6.453 1.00 0.00 C ATOM 369 CG PRO A 27 22.083 -3.063 -7.464 1.00 0.00 C ATOM 370 CD PRO A 27 22.170 -4.345 -6.684 1.00 0.00 C ATOM 0 HA PRO A 27 21.471 -2.220 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.449 -1.108 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.951 -1.633 -6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.220 -3.069 -8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 27 22.966 -2.925 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.698 -5.171 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.205 -4.634 -6.500 1.00 0.00 H new ATOM 378 N ASP A 28 18.966 -3.168 -6.091 1.00 0.00 N ATOM 379 CA ASP A 28 17.533 -2.982 -6.285 1.00 0.00 C ATOM 380 C ASP A 28 16.876 -2.453 -5.014 1.00 0.00 C ATOM 381 O ASP A 28 16.638 -3.203 -4.068 1.00 0.00 O ATOM 382 CB ASP A 28 16.878 -4.300 -6.701 1.00 0.00 C ATOM 383 CG ASP A 28 16.860 -4.488 -8.206 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.862 -3.471 -8.931 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.846 -5.652 -8.658 1.00 0.00 O ATOM 0 H ASP A 28 19.340 -4.022 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 28 17.391 -2.248 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.414 -5.130 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.857 -4.330 -6.322 1.00 0.00 H new ATOM 390 N ASN A 29 16.587 -1.156 -4.999 1.00 0.00 N ATOM 391 CA ASN A 29 15.960 -0.526 -3.842 1.00 0.00 C ATOM 392 C ASN A 29 14.610 0.077 -4.218 1.00 0.00 C ATOM 393 O ASN A 29 14.131 1.005 -3.566 1.00 0.00 O ATOM 394 CB ASN A 29 16.874 0.558 -3.268 1.00 0.00 C ATOM 395 CG ASN A 29 17.223 1.621 -4.291 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.480 1.849 -5.245 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.361 2.279 -4.096 1.00 0.00 N ATOM 0 H ASN A 29 16.777 -0.521 -5.774 1.00 0.00 H new ATOM 0 HA ASN A 29 15.798 -1.293 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.385 1.026 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.791 0.098 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.649 3.006 -4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.947 2.057 -3.291 1.00 0.00 H new ATOM 404 N GLU A 30 14.002 -0.456 -5.273 1.00 0.00 N ATOM 405 CA GLU A 30 12.707 0.030 -5.734 1.00 0.00 C ATOM 406 C GLU A 30 11.672 -1.091 -5.732 1.00 0.00 C ATOM 407 O GLU A 30 11.927 -2.188 -6.229 1.00 0.00 O ATOM 408 CB GLU A 30 12.831 0.621 -7.140 1.00 0.00 C ATOM 409 CG GLU A 30 13.979 1.605 -7.287 1.00 0.00 C ATOM 410 CD GLU A 30 14.080 2.179 -8.687 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.632 1.493 -9.572 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.605 3.315 -8.897 1.00 0.00 O ATOM 0 H GLU A 30 14.385 -1.224 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 30 12.375 0.809 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.965 -0.190 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.898 1.123 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.849 2.419 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.915 1.106 -7.035 1.00 0.00 H new ATOM 419 N VAL A 31 10.502 -0.808 -5.167 1.00 0.00 N ATOM 420 CA VAL A 31 9.428 -1.791 -5.100 1.00 0.00 C ATOM 421 C VAL A 31 8.084 -1.162 -5.451 1.00 0.00 C ATOM 422 O VAL A 31 7.814 -0.014 -5.098 1.00 0.00 O ATOM 423 CB VAL A 31 9.334 -2.425 -3.700 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.361 -1.350 -2.624 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.079 -3.277 -3.583 1.00 0.00 C ATOM 0 H VAL A 31 10.274 0.094 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 31 9.664 -2.567 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 31 10.199 -3.072 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.294 -1.817 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.292 -0.787 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.517 -0.674 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.029 -3.717 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.200 -2.654 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.107 -4.071 -4.329 1.00 0.00 H new ATOM 435 N GLU A 32 7.245 -1.922 -6.149 1.00 0.00 N ATOM 436 CA GLU A 32 5.929 -1.437 -6.548 1.00 0.00 C ATOM 437 C GLU A 32 4.824 -2.228 -5.853 1.00 0.00 C ATOM 438 O GLU A 32 4.630 -3.414 -6.124 1.00 0.00 O ATOM 439 CB GLU A 32 5.764 -1.535 -8.066 1.00 0.00 C ATOM 440 CG GLU A 32 4.337 -1.316 -8.539 1.00 0.00 C ATOM 441 CD GLU A 32 4.255 -0.989 -10.017 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.259 -0.495 -10.572 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.187 -1.227 -10.619 1.00 0.00 O ATOM 0 H GLU A 32 7.453 -2.874 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 32 5.848 -0.392 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.412 -0.799 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.101 -2.518 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.750 -2.211 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.889 -0.504 -7.966 1.00 0.00 H new ATOM 450 N LEU A 33 4.104 -1.564 -4.957 1.00 0.00 N ATOM 451 CA LEU A 33 3.018 -2.204 -4.222 1.00 0.00 C ATOM 452 C LEU A 33 1.663 -1.813 -4.802 1.00 0.00 C ATOM 453 O LEU A 33 1.457 -0.671 -5.213 1.00 0.00 O ATOM 454 CB LEU A 33 3.082 -1.820 -2.742 1.00 0.00 C ATOM 455 CG LEU A 33 4.453 -1.938 -2.077 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.587 -0.928 -0.947 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.676 -3.351 -1.560 1.00 0.00 C ATOM 0 H LEU A 33 4.252 -0.583 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 33 3.135 -3.284 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.738 -0.791 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.379 -2.447 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 33 5.217 -1.721 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.569 -1.027 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.473 0.080 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.815 -1.113 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.657 -3.416 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.906 -3.596 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.625 -4.055 -2.391 1.00 0.00 H new ATOM 469 N LYS A 34 0.740 -2.769 -4.832 1.00 0.00 N ATOM 470 CA LYS A 34 -0.598 -2.525 -5.358 1.00 0.00 C ATOM 471 C LYS A 34 -1.662 -2.863 -4.319 1.00 0.00 C ATOM 472 O LYS A 34 -1.558 -3.866 -3.615 1.00 0.00 O ATOM 473 CB LYS A 34 -0.828 -3.352 -6.626 1.00 0.00 C ATOM 474 CG LYS A 34 -2.111 -2.999 -7.358 1.00 0.00 C ATOM 475 CD LYS A 34 -1.986 -3.244 -8.852 1.00 0.00 C ATOM 476 CE LYS A 34 -3.320 -3.062 -9.560 1.00 0.00 C ATOM 477 NZ LYS A 34 -4.235 -4.214 -9.324 1.00 0.00 N ATOM 0 H LYS A 34 0.894 -3.720 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.677 -1.466 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.016 -3.210 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.850 -4.409 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.934 -3.592 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.357 -1.952 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.252 -2.558 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.615 -4.254 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.794 -2.144 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.150 -2.946 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.222 -3.888 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.076 -4.939 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.047 -4.620 -8.385 1.00 0.00 H new ATOM 491 N ALA A 35 -2.684 -2.018 -4.229 1.00 0.00 N ATOM 492 CA ALA A 35 -3.768 -2.229 -3.278 1.00 0.00 C ATOM 493 C ALA A 35 -5.011 -2.774 -3.974 1.00 0.00 C ATOM 494 O ALA A 35 -5.455 -2.232 -4.987 1.00 0.00 O ATOM 495 CB ALA A 35 -4.093 -0.932 -2.552 1.00 0.00 C ATOM 0 H ALA A 35 -2.784 -1.181 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.439 -2.969 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.904 -1.104 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.211 -0.585 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.397 -0.176 -3.276 1.00 0.00 H new ATOM 501 N PHE A 36 -5.568 -3.849 -3.426 1.00 0.00 N ATOM 502 CA PHE A 36 -6.759 -4.468 -3.996 1.00 0.00 C ATOM 503 C PHE A 36 -7.974 -4.231 -3.104 1.00 0.00 C ATOM 504 O PHE A 36 -7.979 -4.604 -1.930 1.00 0.00 O ATOM 505 CB PHE A 36 -6.537 -5.969 -4.188 1.00 0.00 C ATOM 506 CG PHE A 36 -5.673 -6.301 -5.371 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.230 -6.461 -6.629 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.304 -6.454 -5.224 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.438 -6.766 -7.720 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.507 -6.759 -6.312 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.075 -6.916 -7.561 1.00 0.00 C ATOM 0 H PHE A 36 -5.214 -4.310 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.948 -4.009 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.079 -6.378 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.504 -6.459 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.296 -6.346 -6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.855 -6.334 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.885 -6.887 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.441 -6.874 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.454 -7.156 -8.412 1.00 0.00 H new ATOM 521 N VAL A 37 -9.004 -3.610 -3.670 1.00 0.00 N ATOM 522 CA VAL A 37 -10.226 -3.324 -2.927 1.00 0.00 C ATOM 523 C VAL A 37 -11.382 -4.187 -3.419 1.00 0.00 C ATOM 524 O VAL A 37 -11.798 -4.086 -4.572 1.00 0.00 O ATOM 525 CB VAL A 37 -10.620 -1.840 -3.046 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.935 -1.577 -2.328 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.516 -0.949 -2.496 1.00 0.00 C ATOM 0 H VAL A 37 -9.017 -3.295 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.023 -3.555 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.755 -1.602 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.197 -0.523 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.721 -2.188 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.831 -1.831 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.812 0.096 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.346 -1.187 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.598 -1.117 -3.059 1.00 0.00 H new ATOM 537 N ALA A 38 -11.898 -5.034 -2.535 1.00 0.00 N ATOM 538 CA ALA A 38 -13.009 -5.914 -2.878 1.00 0.00 C ATOM 539 C ALA A 38 -14.225 -5.629 -2.003 1.00 0.00 C ATOM 540 O ALA A 38 -14.132 -5.544 -0.778 1.00 0.00 O ATOM 541 CB ALA A 38 -12.590 -7.370 -2.744 1.00 0.00 C ATOM 0 H ALA A 38 -11.565 -5.130 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.286 -5.721 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.429 -8.015 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.756 -7.572 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.284 -7.568 -1.717 1.00 0.00 H new ATOM 547 N PRO A 39 -15.393 -5.477 -2.643 1.00 0.00 N ATOM 548 CA PRO A 39 -15.515 -5.575 -4.101 1.00 0.00 C ATOM 549 C PRO A 39 -14.857 -4.401 -4.818 1.00 0.00 C ATOM 550 O PRO A 39 -14.622 -3.351 -4.222 1.00 0.00 O ATOM 551 CB PRO A 39 -17.029 -5.562 -4.332 1.00 0.00 C ATOM 552 CG PRO A 39 -17.586 -4.851 -3.147 1.00 0.00 C ATOM 553 CD PRO A 39 -16.685 -5.196 -1.994 1.00 0.00 C ATOM 0 HA PRO A 39 -15.018 -6.462 -4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.284 -5.047 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.427 -6.574 -4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.610 -3.774 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.611 -5.166 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.607 -4.372 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.053 -6.060 -1.441 1.00 0.00 H new ATOM 561 N ALA A 40 -14.563 -4.587 -6.101 1.00 0.00 N ATOM 562 CA ALA A 40 -13.934 -3.543 -6.899 1.00 0.00 C ATOM 563 C ALA A 40 -14.941 -2.463 -7.282 1.00 0.00 C ATOM 564 O ALA A 40 -16.112 -2.737 -7.545 1.00 0.00 O ATOM 565 CB ALA A 40 -13.300 -4.141 -8.146 1.00 0.00 C ATOM 0 H ALA A 40 -14.751 -5.451 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.154 -3.079 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.834 -3.349 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.544 -4.871 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.067 -4.632 -8.744 1.00 0.00 H new ATOM 571 N PRO A 41 -14.477 -1.205 -7.313 1.00 0.00 N ATOM 572 CA PRO A 41 -15.321 -0.058 -7.662 1.00 0.00 C ATOM 573 C PRO A 41 -15.714 -0.054 -9.136 1.00 0.00 C ATOM 574 O PRO A 41 -15.006 -0.585 -9.993 1.00 0.00 O ATOM 575 CB PRO A 41 -14.433 1.147 -7.342 1.00 0.00 C ATOM 576 CG PRO A 41 -13.040 0.631 -7.456 1.00 0.00 C ATOM 577 CD PRO A 41 -13.092 -0.804 -7.011 1.00 0.00 C ATOM 0 HA PRO A 41 -16.265 -0.066 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.610 1.966 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.632 1.531 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.678 0.709 -8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.358 1.208 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.370 -1.418 -7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.867 -0.904 -5.949 1.00 0.00 H new ATOM 585 N PRO A 42 -16.868 0.557 -9.440 1.00 0.00 N ATOM 586 CA PRO A 42 -17.380 0.645 -10.811 1.00 0.00 C ATOM 587 C PRO A 42 -16.544 1.575 -11.683 1.00 0.00 C ATOM 588 O PRO A 42 -15.451 1.990 -11.296 1.00 0.00 O ATOM 589 CB PRO A 42 -18.791 1.210 -10.627 1.00 0.00 C ATOM 590 CG PRO A 42 -18.735 1.957 -9.339 1.00 0.00 C ATOM 591 CD PRO A 42 -17.762 1.211 -8.469 1.00 0.00 C ATOM 0 HA PRO A 42 -17.355 -0.319 -11.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.066 1.866 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.535 0.414 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.408 2.985 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.719 2.004 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.215 1.884 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.267 0.483 -7.834 1.00 0.00 H new ATOM 599 N VAL A 43 -17.064 1.900 -12.862 1.00 0.00 N ATOM 600 CA VAL A 43 -16.366 2.783 -13.789 1.00 0.00 C ATOM 601 C VAL A 43 -16.504 4.242 -13.369 1.00 0.00 C ATOM 602 O VAL A 43 -15.658 5.074 -13.694 1.00 0.00 O ATOM 603 CB VAL A 43 -16.897 2.621 -15.226 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.370 2.991 -15.295 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.081 3.465 -16.193 1.00 0.00 C ATOM 0 H VAL A 43 -17.967 1.565 -13.198 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.314 2.499 -13.764 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.796 1.576 -15.517 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.728 2.871 -16.317 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.940 2.340 -14.632 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.500 4.028 -14.985 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.470 3.339 -17.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.149 4.515 -15.907 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.039 3.148 -16.163 1.00 0.00 H new ATOM 615 N GLU A 44 -17.577 4.544 -12.644 1.00 0.00 N ATOM 616 CA GLU A 44 -17.826 5.903 -12.179 1.00 0.00 C ATOM 617 C GLU A 44 -17.182 6.139 -10.817 1.00 0.00 C ATOM 618 O GLU A 44 -16.200 6.873 -10.699 1.00 0.00 O ATOM 619 CB GLU A 44 -19.331 6.170 -12.097 1.00 0.00 C ATOM 620 CG GLU A 44 -20.004 6.281 -13.455 1.00 0.00 C ATOM 621 CD GLU A 44 -19.940 7.685 -14.025 1.00 0.00 C ATOM 622 OE1 GLU A 44 -18.943 8.389 -13.759 1.00 0.00 O ATOM 623 OE2 GLU A 44 -20.886 8.079 -14.737 1.00 0.00 O ATOM 0 H GLU A 44 -18.287 3.866 -12.366 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.380 6.592 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.804 5.367 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.498 7.093 -11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.528 5.589 -14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.047 5.976 -13.366 1.00 0.00 H new ATOM 630 N THR A 45 -17.742 5.512 -9.787 1.00 0.00 N ATOM 631 CA THR A 45 -17.224 5.654 -8.432 1.00 0.00 C ATOM 632 C THR A 45 -15.845 5.018 -8.301 1.00 0.00 C ATOM 633 O THR A 45 -15.627 3.885 -8.732 1.00 0.00 O ATOM 634 CB THR A 45 -18.171 5.015 -7.399 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.427 5.702 -7.395 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.560 5.056 -6.006 1.00 0.00 C ATOM 0 H THR A 45 -18.555 4.901 -9.866 1.00 0.00 H new ATOM 0 HA THR A 45 -17.149 6.723 -8.233 1.00 0.00 H new ATOM 0 HB THR A 45 -18.328 3.973 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.024 5.289 -6.737 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.247 4.599 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.618 4.507 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.376 6.092 -5.720 1.00 0.00 H new ATOM 644 N THR A 46 -14.913 5.754 -7.702 1.00 0.00 N ATOM 645 CA THR A 46 -13.554 5.263 -7.514 1.00 0.00 C ATOM 646 C THR A 46 -13.077 5.496 -6.086 1.00 0.00 C ATOM 647 O THR A 46 -13.205 6.597 -5.550 1.00 0.00 O ATOM 648 CB THR A 46 -12.572 5.941 -8.488 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.764 7.360 -8.468 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.766 5.418 -9.904 1.00 0.00 C ATOM 0 H THR A 46 -15.076 6.693 -7.339 1.00 0.00 H new ATOM 0 HA THR A 46 -13.575 4.192 -7.717 1.00 0.00 H new ATOM 0 HB THR A 46 -11.557 5.707 -8.167 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.815 7.670 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.062 5.911 -10.574 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.591 4.342 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.785 5.625 -10.232 1.00 0.00 H new ATOM 658 N TYR A 47 -12.528 4.453 -5.473 1.00 0.00 N ATOM 659 CA TYR A 47 -12.033 4.545 -4.104 1.00 0.00 C ATOM 660 C TYR A 47 -10.737 5.347 -4.046 1.00 0.00 C ATOM 661 O TYR A 47 -10.054 5.519 -5.055 1.00 0.00 O ATOM 662 CB TYR A 47 -11.807 3.146 -3.527 1.00 0.00 C ATOM 663 CG TYR A 47 -13.050 2.285 -3.521 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.274 2.801 -3.113 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.000 0.956 -3.924 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.412 2.017 -3.105 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.133 0.166 -3.921 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.336 0.701 -3.510 1.00 0.00 C ATOM 669 OH TYR A 47 -16.468 -0.082 -3.505 1.00 0.00 O ATOM 0 H TYR A 47 -12.414 3.535 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.785 5.061 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.031 2.645 -4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.435 3.239 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.337 3.832 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.059 0.534 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.356 2.433 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.077 -0.865 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.244 -0.983 -3.819 1.00 0.00 H new ATOM 679 N ASN A 48 -10.404 5.835 -2.855 1.00 0.00 N ATOM 680 CA ASN A 48 -9.190 6.620 -2.663 1.00 0.00 C ATOM 681 C ASN A 48 -8.108 5.789 -1.979 1.00 0.00 C ATOM 682 O ASN A 48 -8.368 5.111 -0.984 1.00 0.00 O ATOM 683 CB ASN A 48 -9.491 7.870 -1.834 1.00 0.00 C ATOM 684 CG ASN A 48 -10.270 8.909 -2.616 1.00 0.00 C ATOM 685 OD1 ASN A 48 -11.401 9.246 -2.266 1.00 0.00 O ATOM 686 ND2 ASN A 48 -9.667 9.422 -3.682 1.00 0.00 N ATOM 0 H ASN A 48 -10.958 5.701 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.824 6.924 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.058 7.587 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.554 8.307 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.142 10.125 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.728 9.113 -3.935 1.00 0.00 H new ATOM 693 N TYR A 49 -6.895 5.849 -2.516 1.00 0.00 N ATOM 694 CA TYR A 49 -5.774 5.101 -1.959 1.00 0.00 C ATOM 695 C TYR A 49 -4.795 6.034 -1.253 1.00 0.00 C ATOM 696 O TYR A 49 -4.076 6.798 -1.896 1.00 0.00 O ATOM 697 CB TYR A 49 -5.052 4.326 -3.062 1.00 0.00 C ATOM 698 CG TYR A 49 -5.968 3.449 -3.885 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.290 2.163 -3.468 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.511 3.905 -5.080 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.127 1.358 -4.217 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.349 3.108 -5.834 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.654 1.835 -5.399 1.00 0.00 C ATOM 704 OH TYR A 49 -8.487 1.037 -6.149 1.00 0.00 O ATOM 0 H TYR A 49 -6.662 6.408 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.168 4.396 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.550 5.033 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.277 3.706 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.879 1.786 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.273 4.900 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.367 0.361 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.764 3.479 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.772 1.524 -6.951 1.00 0.00 H new ATOM 714 N GLU A 50 -4.773 5.964 0.075 1.00 0.00 N ATOM 715 CA GLU A 50 -3.883 6.802 0.869 1.00 0.00 C ATOM 716 C GLU A 50 -2.841 5.954 1.594 1.00 0.00 C ATOM 717 O GLU A 50 -3.148 5.285 2.581 1.00 0.00 O ATOM 718 CB GLU A 50 -4.685 7.620 1.882 1.00 0.00 C ATOM 719 CG GLU A 50 -3.825 8.300 2.934 1.00 0.00 C ATOM 720 CD GLU A 50 -4.647 8.946 4.032 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.422 8.226 4.695 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.514 10.173 4.228 1.00 0.00 O ATOM 0 H GLU A 50 -5.361 5.336 0.623 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.366 7.482 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.260 8.378 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.402 6.966 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.149 7.567 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.205 9.058 2.456 1.00 0.00 H new ATOM 729 N TRP A 51 -1.610 5.988 1.097 1.00 0.00 N ATOM 730 CA TRP A 51 -0.523 5.223 1.697 1.00 0.00 C ATOM 731 C TRP A 51 0.171 6.027 2.791 1.00 0.00 C ATOM 732 O TRP A 51 0.188 7.257 2.753 1.00 0.00 O ATOM 733 CB TRP A 51 0.491 4.814 0.627 1.00 0.00 C ATOM 734 CG TRP A 51 -0.031 3.777 -0.321 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.674 3.999 -1.505 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.044 2.356 -0.162 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.003 2.801 -2.092 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.573 1.778 -1.289 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.574 1.516 0.820 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.675 0.400 -1.457 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.472 0.148 0.652 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.147 -0.399 -0.479 1.00 0.00 C ATOM 0 H TRP A 51 -1.340 6.537 0.281 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.949 4.326 2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.787 5.697 0.061 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.388 4.432 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.892 4.972 -1.919 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.489 2.691 -2.982 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.055 1.928 1.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.154 -0.024 -2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.877 -0.511 1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.209 -1.472 -0.582 1.00 0.00 H new ATOM 753 N ASN A 52 0.742 5.325 3.764 1.00 0.00 N ATOM 754 CA ASN A 52 1.436 5.976 4.869 1.00 0.00 C ATOM 755 C ASN A 52 2.433 5.023 5.522 1.00 0.00 C ATOM 756 O ASN A 52 2.194 3.817 5.602 1.00 0.00 O ATOM 757 CB ASN A 52 0.431 6.471 5.910 1.00 0.00 C ATOM 758 CG ASN A 52 -0.085 7.863 5.600 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.646 8.848 5.714 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.350 7.951 5.205 1.00 0.00 N ATOM 0 H ASN A 52 0.738 4.306 3.810 1.00 0.00 H new ATOM 0 HA ASN A 52 1.984 6.829 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.409 5.778 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.901 6.471 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.752 8.861 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.919 7.108 5.125 1.00 0.00 H new ATOM 767 N LEU A 53 3.549 5.571 5.988 1.00 0.00 N ATOM 768 CA LEU A 53 4.583 4.770 6.635 1.00 0.00 C ATOM 769 C LEU A 53 4.459 4.844 8.153 1.00 0.00 C ATOM 770 O LEU A 53 4.629 5.908 8.748 1.00 0.00 O ATOM 771 CB LEU A 53 5.971 5.246 6.201 1.00 0.00 C ATOM 772 CG LEU A 53 7.148 4.378 6.647 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.103 3.023 5.957 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.467 5.080 6.361 1.00 0.00 C ATOM 0 H LEU A 53 3.762 6.567 5.930 1.00 0.00 H new ATOM 0 HA LEU A 53 4.449 3.733 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.986 5.313 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.124 6.255 6.585 1.00 0.00 H new ATOM 0 HG LEU A 53 7.070 4.218 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.948 2.419 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.173 2.515 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.156 3.163 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.294 4.448 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.553 5.270 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.500 6.026 6.902 1.00 0.00 H new ATOM 786 N ILE A 54 4.163 3.707 8.773 1.00 0.00 N ATOM 787 CA ILE A 54 4.020 3.643 10.222 1.00 0.00 C ATOM 788 C ILE A 54 5.192 2.904 10.859 1.00 0.00 C ATOM 789 O ILE A 54 5.497 3.099 12.035 1.00 0.00 O ATOM 790 CB ILE A 54 2.707 2.945 10.628 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.601 1.578 9.951 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.512 3.815 10.268 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.872 1.615 8.626 1.00 0.00 C ATOM 0 H ILE A 54 4.018 2.818 8.295 1.00 0.00 H new ATOM 0 HA ILE A 54 4.003 4.672 10.582 1.00 0.00 H new ATOM 0 HB ILE A 54 2.710 2.795 11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.604 1.181 9.794 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.086 0.889 10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.592 3.309 10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.585 4.768 10.792 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.502 3.993 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.835 0.611 8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.857 1.982 8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.398 2.278 7.940 1.00 0.00 H new ATOM 805 N SER A 55 5.847 2.056 10.072 1.00 0.00 N ATOM 806 CA SER A 55 6.986 1.286 10.559 1.00 0.00 C ATOM 807 C SER A 55 8.223 1.545 9.704 1.00 0.00 C ATOM 808 O SER A 55 8.237 1.252 8.508 1.00 0.00 O ATOM 809 CB SER A 55 6.656 -0.208 10.559 1.00 0.00 C ATOM 810 OG SER A 55 7.381 -0.891 11.567 1.00 0.00 O ATOM 0 H SER A 55 5.609 1.885 9.095 1.00 0.00 H new ATOM 0 HA SER A 55 7.198 1.604 11.580 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.587 -0.347 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.892 -0.636 9.584 1.00 0.00 H new ATOM 0 HG SER A 55 7.151 -1.843 11.547 1.00 0.00 H new ATOM 816 N HIS A 56 9.259 2.097 10.327 1.00 0.00 N ATOM 817 CA HIS A 56 10.502 2.396 9.624 1.00 0.00 C ATOM 818 C HIS A 56 11.658 2.552 10.607 1.00 0.00 C ATOM 819 O HIS A 56 11.500 3.069 11.713 1.00 0.00 O ATOM 820 CB HIS A 56 10.349 3.671 8.793 1.00 0.00 C ATOM 821 CG HIS A 56 10.276 4.919 9.619 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.314 5.356 10.415 1.00 0.00 N ATOM 823 CD2 HIS A 56 9.282 5.825 9.767 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.961 6.476 11.019 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.732 6.783 10.642 1.00 0.00 N ATOM 0 H HIS A 56 9.263 2.346 11.316 1.00 0.00 H new ATOM 0 HA HIS A 56 10.724 1.562 8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.190 3.749 8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.447 3.593 8.186 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.214 4.887 10.521 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.315 5.800 9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.572 7.044 11.704 1.00 0.00 H new ATOM 834 N PRO A 57 12.850 2.093 10.197 1.00 0.00 N ATOM 835 CA PRO A 57 14.056 2.170 11.027 1.00 0.00 C ATOM 836 C PRO A 57 14.555 3.601 11.194 1.00 0.00 C ATOM 837 O PRO A 57 14.083 4.517 10.520 1.00 0.00 O ATOM 838 CB PRO A 57 15.076 1.335 10.248 1.00 0.00 C ATOM 839 CG PRO A 57 14.614 1.395 8.833 1.00 0.00 C ATOM 840 CD PRO A 57 13.113 1.464 8.891 1.00 0.00 C ATOM 0 HA PRO A 57 13.877 1.812 12.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.082 1.740 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.107 0.308 10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.026 2.267 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.943 0.517 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.706 2.056 8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.662 0.474 8.824 1.00 0.00 H new ATOM 848 N THR A 58 15.513 3.787 12.097 1.00 0.00 N ATOM 849 CA THR A 58 16.075 5.107 12.353 1.00 0.00 C ATOM 850 C THR A 58 17.010 5.535 11.227 1.00 0.00 C ATOM 851 O THR A 58 17.195 6.726 10.980 1.00 0.00 O ATOM 852 CB THR A 58 16.846 5.140 13.686 1.00 0.00 C ATOM 853 OG1 THR A 58 16.927 6.485 14.172 1.00 0.00 O ATOM 854 CG2 THR A 58 18.247 4.573 13.515 1.00 0.00 C ATOM 0 H THR A 58 15.916 3.040 12.663 1.00 0.00 H new ATOM 0 HA THR A 58 15.237 5.802 12.409 1.00 0.00 H new ATOM 0 HB THR A 58 16.307 4.525 14.407 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.417 6.497 15.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.772 4.607 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.182 3.540 13.173 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.792 5.165 12.780 1.00 0.00 H new ATOM 862 N ASP A 59 17.596 4.555 10.547 1.00 0.00 N ATOM 863 CA ASP A 59 18.511 4.830 9.446 1.00 0.00 C ATOM 864 C ASP A 59 17.795 5.560 8.313 1.00 0.00 C ATOM 865 O ASP A 59 18.390 6.382 7.617 1.00 0.00 O ATOM 866 CB ASP A 59 19.122 3.528 8.925 1.00 0.00 C ATOM 867 CG ASP A 59 19.768 2.711 10.025 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.959 2.947 10.319 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.083 1.836 10.594 1.00 0.00 O ATOM 0 H ASP A 59 17.453 3.563 10.739 1.00 0.00 H new ATOM 0 HA ASP A 59 19.308 5.472 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.346 2.933 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.866 3.759 8.163 1.00 0.00 H new ATOM 874 N TYR A 60 16.515 5.252 8.135 1.00 0.00 N ATOM 875 CA TYR A 60 15.718 5.876 7.086 1.00 0.00 C ATOM 876 C TYR A 60 14.964 7.089 7.622 1.00 0.00 C ATOM 877 O TYR A 60 14.650 7.162 8.809 1.00 0.00 O ATOM 878 CB TYR A 60 14.730 4.866 6.498 1.00 0.00 C ATOM 879 CG TYR A 60 14.243 5.230 5.114 1.00 0.00 C ATOM 880 CD1 TYR A 60 15.086 5.138 4.013 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.941 5.668 4.907 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.645 5.470 2.746 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.491 6.001 3.644 1.00 0.00 C ATOM 884 CZ TYR A 60 13.347 5.901 2.567 1.00 0.00 C ATOM 885 OH TYR A 60 12.904 6.233 1.308 1.00 0.00 O ATOM 0 H TYR A 60 16.007 4.574 8.704 1.00 0.00 H new ATOM 0 HA TYR A 60 16.396 6.211 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.205 3.886 6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.872 4.779 7.165 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.103 4.801 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.269 5.750 5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.313 5.392 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.475 6.338 3.501 1.00 0.00 H new ATOM 0 HH TYR A 60 11.967 6.516 1.355 1.00 0.00 H new ATOM 934 N ILE A 64 7.702 9.659 1.270 1.00 0.00 N ATOM 935 CA ILE A 64 6.682 9.053 0.423 1.00 0.00 C ATOM 936 C ILE A 64 5.550 10.034 0.139 1.00 0.00 C ATOM 937 O ILE A 64 5.278 10.933 0.935 1.00 0.00 O ATOM 938 CB ILE A 64 6.097 7.783 1.069 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.219 6.900 1.617 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.256 7.015 0.059 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.725 5.775 2.500 1.00 0.00 C ATOM 0 HA ILE A 64 7.168 8.783 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 64 5.455 8.078 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.778 6.477 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.913 7.519 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.849 6.120 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.438 7.646 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.878 6.728 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.574 5.190 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.191 6.191 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.054 5.133 1.930 1.00 0.00 H new ATOM 953 N LYS A 65 4.890 9.854 -1.000 1.00 0.00 N ATOM 954 CA LYS A 65 3.784 10.720 -1.390 1.00 0.00 C ATOM 955 C LYS A 65 2.443 10.063 -1.080 1.00 0.00 C ATOM 956 O LYS A 65 1.437 10.351 -1.728 1.00 0.00 O ATOM 957 CB LYS A 65 3.869 11.051 -2.882 1.00 0.00 C ATOM 958 CG LYS A 65 4.977 12.033 -3.225 1.00 0.00 C ATOM 959 CD LYS A 65 4.753 12.672 -4.585 1.00 0.00 C ATOM 960 CE LYS A 65 5.153 11.735 -5.714 1.00 0.00 C ATOM 961 NZ LYS A 65 4.622 12.192 -7.028 1.00 0.00 N ATOM 0 H LYS A 65 5.102 9.115 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 65 3.858 11.643 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.026 10.129 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.915 11.464 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.026 12.809 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.937 11.517 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.703 12.944 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.330 13.594 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.240 11.670 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.783 10.732 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.916 11.527 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.583 12.230 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.995 13.139 -7.243 1.00 0.00 H new ATOM 975 N GLN A 66 2.437 9.182 -0.085 1.00 0.00 N ATOM 976 CA GLN A 66 1.219 8.486 0.311 1.00 0.00 C ATOM 977 C GLN A 66 0.531 7.861 -0.899 1.00 0.00 C ATOM 978 O GLN A 66 -0.679 7.639 -0.892 1.00 0.00 O ATOM 979 CB GLN A 66 0.261 9.448 1.015 1.00 0.00 C ATOM 980 CG GLN A 66 0.831 10.047 2.291 1.00 0.00 C ATOM 981 CD GLN A 66 0.254 11.414 2.602 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.617 11.911 1.887 1.00 0.00 O ATOM 983 NE2 GLN A 66 0.737 12.031 3.674 1.00 0.00 N ATOM 0 H GLN A 66 3.262 8.933 0.461 1.00 0.00 H new ATOM 0 HA GLN A 66 1.495 7.689 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.000 10.254 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.662 8.920 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.631 9.374 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.914 10.126 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.459 11.583 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.386 12.953 3.933 1.00 0.00 H new ATOM 992 N GLY A 67 1.312 7.580 -1.938 1.00 0.00 N ATOM 993 CA GLY A 67 0.761 6.985 -3.141 1.00 0.00 C ATOM 994 C GLY A 67 -0.664 7.427 -3.407 1.00 0.00 C ATOM 995 O GLY A 67 -1.615 6.745 -3.025 1.00 0.00 O ATOM 0 H GLY A 67 2.317 7.754 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.386 7.252 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.790 5.899 -3.052 1.00 0.00 H new ATOM 999 N HIS A 68 -0.813 8.574 -4.062 1.00 0.00 N ATOM 1000 CA HIS A 68 -2.134 9.109 -4.377 1.00 0.00 C ATOM 1001 C HIS A 68 -2.891 8.169 -5.310 1.00 0.00 C ATOM 1002 O HIS A 68 -4.075 8.368 -5.582 1.00 0.00 O ATOM 1003 CB HIS A 68 -2.008 10.491 -5.018 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.217 11.462 -4.198 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.475 11.706 -2.865 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -0.169 12.252 -4.527 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.620 12.605 -2.411 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.184 12.953 -3.400 1.00 0.00 N ATOM 0 H HIS A 68 -0.036 9.151 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.695 9.199 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.538 10.387 -5.996 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.006 10.897 -5.185 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.303 12.319 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.584 12.990 -1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.943 13.632 -3.337 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.201 7.143 -5.797 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.807 6.171 -6.699 1.00 0.00 C ATOM 1019 C LYS A 69 -2.973 4.820 -6.011 1.00 0.00 C ATOM 1020 O LYS A 69 -2.647 4.669 -4.834 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.954 6.013 -7.959 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.691 7.321 -8.685 1.00 0.00 C ATOM 1023 CD LYS A 69 -2.944 7.840 -9.371 1.00 0.00 C ATOM 1024 CE LYS A 69 -2.838 9.326 -9.674 1.00 0.00 C ATOM 1025 NZ LYS A 69 -1.935 9.595 -10.827 1.00 0.00 N ATOM 0 H LYS A 69 -1.220 6.963 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.794 6.539 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.000 5.560 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.452 5.323 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.329 8.065 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.904 7.176 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.108 7.289 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.810 7.658 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.830 9.724 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.468 9.851 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.890 10.619 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.982 9.238 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.301 9.116 -11.674 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.481 3.842 -6.753 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.689 2.503 -6.214 1.00 0.00 C ATOM 1041 C GLN A 70 -2.362 1.766 -6.060 1.00 0.00 C ATOM 1042 O GLN A 70 -2.260 0.801 -5.303 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.627 1.705 -7.120 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.943 0.314 -6.595 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.622 -0.561 -7.630 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.279 -0.064 -8.545 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.466 -1.873 -7.492 1.00 0.00 N ATOM 0 H GLN A 70 -3.756 3.951 -7.729 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.145 2.602 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.558 2.258 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.176 1.617 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.020 -0.165 -6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.585 0.398 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.913 -2.242 -6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.899 -2.511 -8.159 1.00 0.00 H new ATOM 1056 N THR A 71 -1.347 2.228 -6.784 1.00 0.00 N ATOM 1057 CA THR A 71 -0.027 1.612 -6.729 1.00 0.00 C ATOM 1058 C THR A 71 1.016 2.592 -6.205 1.00 0.00 C ATOM 1059 O THR A 71 1.091 3.735 -6.658 1.00 0.00 O ATOM 1060 CB THR A 71 0.413 1.103 -8.115 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.035 2.005 -9.133 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.142 -0.288 -8.382 1.00 0.00 C ATOM 0 H THR A 71 -1.414 3.026 -7.415 1.00 0.00 H new ATOM 0 HA THR A 71 -0.101 0.766 -6.046 1.00 0.00 H new ATOM 0 HB THR A 71 1.502 1.051 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.250 1.675 -10.011 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.182 -0.626 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.225 -0.978 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.231 -0.258 -8.349 1.00 0.00 H new ATOM 1070 N LEU A 72 1.818 2.139 -5.249 1.00 0.00 N ATOM 1071 CA LEU A 72 2.859 2.977 -4.663 1.00 0.00 C ATOM 1072 C LEU A 72 4.246 2.434 -4.992 1.00 0.00 C ATOM 1073 O LEU A 72 4.514 1.246 -4.820 1.00 0.00 O ATOM 1074 CB LEU A 72 2.679 3.063 -3.146 1.00 0.00 C ATOM 1075 CG LEU A 72 3.787 3.785 -2.378 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.894 5.233 -2.833 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.531 3.713 -0.880 1.00 0.00 C ATOM 0 H LEU A 72 1.768 1.196 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 72 2.770 3.976 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.734 3.567 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.592 2.050 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 72 4.734 3.288 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.687 5.732 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.124 5.264 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.948 5.742 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.329 4.232 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.576 4.186 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.504 2.670 -0.565 1.00 0.00 H new ATOM 1089 N ASN A 73 5.123 3.313 -5.465 1.00 0.00 N ATOM 1090 CA ASN A 73 6.483 2.921 -5.817 1.00 0.00 C ATOM 1091 C ASN A 73 7.497 3.578 -4.885 1.00 0.00 C ATOM 1092 O ASN A 73 7.355 4.746 -4.520 1.00 0.00 O ATOM 1093 CB ASN A 73 6.786 3.301 -7.268 1.00 0.00 C ATOM 1094 CG ASN A 73 5.544 3.304 -8.137 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.160 4.335 -8.688 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.908 2.145 -8.262 1.00 0.00 N ATOM 0 H ASN A 73 4.917 4.301 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 73 6.563 1.839 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.246 4.289 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.512 2.600 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.065 2.085 -8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.262 1.315 -7.787 1.00 0.00 H new ATOM 1103 N LEU A 74 8.520 2.821 -4.504 1.00 0.00 N ATOM 1104 CA LEU A 74 9.559 3.329 -3.615 1.00 0.00 C ATOM 1105 C LEU A 74 10.904 3.396 -4.331 1.00 0.00 C ATOM 1106 O LEU A 74 11.148 2.655 -5.284 1.00 0.00 O ATOM 1107 CB LEU A 74 9.673 2.443 -2.373 1.00 0.00 C ATOM 1108 CG LEU A 74 8.797 2.839 -1.184 1.00 0.00 C ATOM 1109 CD1 LEU A 74 9.104 4.263 -0.745 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.323 2.693 -1.534 1.00 0.00 C ATOM 0 H LEU A 74 8.652 1.853 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 74 9.280 4.338 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.425 1.420 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.713 2.440 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 74 9.021 2.168 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.471 4.527 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.151 4.336 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.910 4.948 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.715 2.979 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.084 3.338 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.113 1.657 -1.798 1.00 0.00 H new ATOM 1122 N SER A 75 11.773 4.286 -3.865 1.00 0.00 N ATOM 1123 CA SER A 75 13.093 4.451 -4.462 1.00 0.00 C ATOM 1124 C SER A 75 14.135 4.779 -3.396 1.00 0.00 C ATOM 1125 O SER A 75 13.796 5.228 -2.301 1.00 0.00 O ATOM 1126 CB SER A 75 13.064 5.556 -5.519 1.00 0.00 C ATOM 1127 OG SER A 75 13.026 6.838 -4.916 1.00 0.00 O ATOM 0 H SER A 75 11.587 4.904 -3.075 1.00 0.00 H new ATOM 0 HA SER A 75 13.369 3.510 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.944 5.477 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.193 5.427 -6.161 1.00 0.00 H new ATOM 0 HG SER A 75 13.010 7.527 -5.613 1.00 0.00 H new ATOM 1133 N GLN A 76 15.402 4.550 -3.725 1.00 0.00 N ATOM 1134 CA GLN A 76 16.493 4.820 -2.796 1.00 0.00 C ATOM 1135 C GLN A 76 16.220 4.184 -1.437 1.00 0.00 C ATOM 1136 O GLN A 76 16.607 4.723 -0.399 1.00 0.00 O ATOM 1137 CB GLN A 76 16.693 6.328 -2.636 1.00 0.00 C ATOM 1138 CG GLN A 76 17.085 7.030 -3.926 1.00 0.00 C ATOM 1139 CD GLN A 76 17.262 8.525 -3.747 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.291 9.283 -3.763 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.505 8.958 -3.575 1.00 0.00 N ATOM 0 H GLN A 76 15.698 4.178 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 76 17.403 4.382 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.772 6.770 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.464 6.506 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.014 6.600 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.321 6.846 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.280 8.295 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.685 9.954 -3.449 1.00 0.00 H new ATOM 1150 N LEU A 77 15.552 3.036 -1.449 1.00 0.00 N ATOM 1151 CA LEU A 77 15.227 2.327 -0.217 1.00 0.00 C ATOM 1152 C LEU A 77 16.473 1.689 0.389 1.00 0.00 C ATOM 1153 O LEU A 77 17.294 1.109 -0.322 1.00 0.00 O ATOM 1154 CB LEU A 77 14.171 1.253 -0.487 1.00 0.00 C ATOM 1155 CG LEU A 77 12.731 1.748 -0.628 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.800 0.593 -0.961 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.281 2.448 0.646 1.00 0.00 C ATOM 0 H LEU A 77 15.225 2.576 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 77 14.828 3.050 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.444 0.725 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.206 0.525 0.324 1.00 0.00 H new ATOM 0 HG LEU A 77 12.692 2.466 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.780 0.964 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.110 0.135 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.842 -0.150 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.254 2.794 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.335 1.751 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.931 3.301 0.841 1.00 0.00 H new ATOM 1169 N SER A 78 16.607 1.800 1.707 1.00 0.00 N ATOM 1170 CA SER A 78 17.754 1.236 2.409 1.00 0.00 C ATOM 1171 C SER A 78 17.376 -0.066 3.109 1.00 0.00 C ATOM 1172 O SER A 78 16.203 -0.319 3.384 1.00 0.00 O ATOM 1173 CB SER A 78 18.297 2.237 3.429 1.00 0.00 C ATOM 1174 OG SER A 78 18.878 3.358 2.785 1.00 0.00 O ATOM 0 H SER A 78 15.936 2.275 2.310 1.00 0.00 H new ATOM 0 HA SER A 78 18.529 1.021 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.491 2.567 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.041 1.750 4.060 1.00 0.00 H new ATOM 0 HG SER A 78 19.216 3.984 3.459 1.00 0.00 H new ATOM 1180 N VAL A 79 18.379 -0.890 3.395 1.00 0.00 N ATOM 1181 CA VAL A 79 18.154 -2.166 4.063 1.00 0.00 C ATOM 1182 C VAL A 79 17.465 -1.967 5.409 1.00 0.00 C ATOM 1183 O VAL A 79 18.074 -1.488 6.365 1.00 0.00 O ATOM 1184 CB VAL A 79 19.476 -2.926 4.283 1.00 0.00 C ATOM 1185 CG1 VAL A 79 20.584 -1.964 4.682 1.00 0.00 C ATOM 1186 CG2 VAL A 79 19.297 -4.012 5.333 1.00 0.00 C ATOM 0 H VAL A 79 19.356 -0.696 3.174 1.00 0.00 H new ATOM 0 HA VAL A 79 17.509 -2.755 3.411 1.00 0.00 H new ATOM 0 HB VAL A 79 19.762 -3.403 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.510 -2.518 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.727 -1.226 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.310 -1.457 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.240 -4.539 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.988 -3.560 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.534 -4.717 5.001 1.00 0.00 H new ATOM 1196 N GLY A 80 16.190 -2.340 5.476 1.00 0.00 N ATOM 1197 CA GLY A 80 15.439 -2.195 6.709 1.00 0.00 C ATOM 1198 C GLY A 80 13.993 -2.623 6.561 1.00 0.00 C ATOM 1199 O GLY A 80 13.550 -2.970 5.466 1.00 0.00 O ATOM 0 H GLY A 80 15.665 -2.740 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.912 -2.789 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.475 -1.155 7.033 1.00 0.00 H new ATOM 1203 N LEU A 81 13.255 -2.601 7.665 1.00 0.00 N ATOM 1204 CA LEU A 81 11.850 -2.993 7.655 1.00 0.00 C ATOM 1205 C LEU A 81 10.949 -1.780 7.444 1.00 0.00 C ATOM 1206 O LEU A 81 10.941 -0.852 8.253 1.00 0.00 O ATOM 1207 CB LEU A 81 11.485 -3.693 8.965 1.00 0.00 C ATOM 1208 CG LEU A 81 10.011 -4.063 9.140 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.586 -5.074 8.087 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.761 -4.609 10.538 1.00 0.00 C ATOM 0 H LEU A 81 13.606 -2.316 8.579 1.00 0.00 H new ATOM 0 HA LEU A 81 11.697 -3.685 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.079 -4.603 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.778 -3.047 9.793 1.00 0.00 H new ATOM 0 HG LEU A 81 9.412 -3.162 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.535 -5.325 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.728 -4.647 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.191 -5.976 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.707 -4.867 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.370 -5.499 10.695 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.026 -3.853 11.277 1.00 0.00 H new ATOM 1222 N TYR A 82 10.189 -1.796 6.354 1.00 0.00 N ATOM 1223 CA TYR A 82 9.284 -0.698 6.038 1.00 0.00 C ATOM 1224 C TYR A 82 7.860 -1.207 5.834 1.00 0.00 C ATOM 1225 O TYR A 82 7.584 -1.956 4.897 1.00 0.00 O ATOM 1226 CB TYR A 82 9.759 0.036 4.783 1.00 0.00 C ATOM 1227 CG TYR A 82 11.221 0.418 4.822 1.00 0.00 C ATOM 1228 CD1 TYR A 82 12.210 -0.512 4.526 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.614 1.708 5.155 1.00 0.00 C ATOM 1230 CE1 TYR A 82 13.548 -0.168 4.561 1.00 0.00 C ATOM 1231 CE2 TYR A 82 12.949 2.062 5.191 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.912 1.120 4.894 1.00 0.00 C ATOM 1233 OH TYR A 82 15.243 1.468 4.930 1.00 0.00 O ATOM 0 H TYR A 82 10.182 -2.557 5.675 1.00 0.00 H new ATOM 0 HA TYR A 82 9.286 -0.005 6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.580 -0.596 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.160 0.937 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.928 -1.521 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.863 2.447 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.304 -0.903 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.237 3.070 5.450 1.00 0.00 H new ATOM 0 HH TYR A 82 15.793 0.672 4.775 1.00 0.00 H new ATOM 1243 N VAL A 83 6.959 -0.793 6.719 1.00 0.00 N ATOM 1244 CA VAL A 83 5.562 -1.205 6.638 1.00 0.00 C ATOM 1245 C VAL A 83 4.675 -0.050 6.186 1.00 0.00 C ATOM 1246 O VAL A 83 4.600 0.985 6.847 1.00 0.00 O ATOM 1247 CB VAL A 83 5.052 -1.730 7.993 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.585 -2.120 7.896 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.895 -2.906 8.460 1.00 0.00 C ATOM 0 H VAL A 83 7.171 -0.173 7.500 1.00 0.00 H new ATOM 0 HA VAL A 83 5.510 -2.009 5.903 1.00 0.00 H new ATOM 0 HB VAL A 83 5.143 -0.932 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.242 -2.489 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.995 -1.249 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.465 -2.902 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.520 -3.264 9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.838 -3.709 7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.932 -2.589 8.571 1.00 0.00 H new ATOM 1259 N PHE A 84 4.003 -0.236 5.054 1.00 0.00 N ATOM 1260 CA PHE A 84 3.120 0.790 4.512 1.00 0.00 C ATOM 1261 C PHE A 84 1.656 0.406 4.705 1.00 0.00 C ATOM 1262 O PHE A 84 1.239 -0.696 4.346 1.00 0.00 O ATOM 1263 CB PHE A 84 3.410 1.010 3.026 1.00 0.00 C ATOM 1264 CG PHE A 84 4.875 1.080 2.705 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.587 -0.069 2.400 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.541 2.295 2.709 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.936 -0.008 2.104 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.889 2.363 2.413 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.588 1.210 2.111 1.00 0.00 C ATOM 0 H PHE A 84 4.053 -1.088 4.495 1.00 0.00 H new ATOM 0 HA PHE A 84 3.308 1.718 5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.959 0.200 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.931 1.935 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.082 -1.024 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.000 3.199 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.479 -0.911 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.396 3.317 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.642 1.261 1.881 1.00 0.00 H new ATOM 1279 N LYS A 85 0.880 1.321 5.276 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.537 1.080 5.518 1.00 0.00 C ATOM 1281 C LYS A 85 -1.399 1.926 4.586 1.00 0.00 C ATOM 1282 O LYS A 85 -1.427 3.152 4.692 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.888 1.390 6.975 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.382 1.439 7.244 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.681 2.004 8.622 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.470 3.509 8.666 1.00 0.00 C ATOM 1287 NZ LYS A 85 -2.132 3.983 10.037 1.00 0.00 N ATOM 0 H LYS A 85 1.209 2.237 5.580 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.740 0.028 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.436 0.634 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.446 2.348 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.870 2.051 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.801 0.436 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.710 1.772 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.039 1.524 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.669 3.783 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.373 4.012 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.555 4.846 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.008 4.189 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.597 3.245 10.537 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.103 1.263 3.674 1.00 0.00 N ATOM 1302 CA VAL A 86 -2.968 1.954 2.725 1.00 0.00 C ATOM 1303 C VAL A 86 -4.393 2.059 3.256 1.00 0.00 C ATOM 1304 O VAL A 86 -5.098 1.057 3.381 1.00 0.00 O ATOM 1305 CB VAL A 86 -2.992 1.237 1.362 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.137 -0.266 1.551 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.115 1.783 0.493 1.00 0.00 C ATOM 0 H VAL A 86 -2.091 0.248 3.572 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.557 2.955 2.594 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.046 1.426 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.152 -0.755 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.296 -0.642 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.067 -0.478 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.117 1.265 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.071 1.626 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.962 2.850 0.329 1.00 0.00 H new ATOM 1317 N THR A 87 -4.814 3.281 3.569 1.00 0.00 N ATOM 1318 CA THR A 87 -6.155 3.519 4.088 1.00 0.00 C ATOM 1319 C THR A 87 -7.107 3.946 2.977 1.00 0.00 C ATOM 1320 O THR A 87 -7.015 5.060 2.462 1.00 0.00 O ATOM 1321 CB THR A 87 -6.149 4.598 5.187 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.931 4.528 5.937 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.336 4.426 6.122 1.00 0.00 C ATOM 0 H THR A 87 -4.245 4.122 3.472 1.00 0.00 H new ATOM 0 HA THR A 87 -6.500 2.578 4.516 1.00 0.00 H new ATOM 0 HB THR A 87 -6.224 5.573 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.935 5.219 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.310 5.200 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.262 4.510 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.288 3.445 6.594 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.021 3.053 2.612 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.992 3.339 1.562 1.00 0.00 C ATOM 1333 C VAL A 88 -10.412 3.355 2.117 1.00 0.00 C ATOM 1334 O VAL A 88 -10.944 2.321 2.521 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.909 2.305 0.424 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.045 2.508 -0.567 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.560 2.389 -0.274 1.00 0.00 C ATOM 0 H VAL A 88 -8.110 2.126 3.027 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.749 4.325 1.165 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.009 1.308 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.969 1.768 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.000 2.393 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.981 3.509 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.518 1.651 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.428 3.387 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.765 2.189 0.445 1.00 0.00 H new ATOM 1347 N SER A 89 -11.022 4.536 2.133 1.00 0.00 N ATOM 1348 CA SER A 89 -12.381 4.688 2.641 1.00 0.00 C ATOM 1349 C SER A 89 -13.213 5.567 1.712 1.00 0.00 C ATOM 1350 O SER A 89 -12.677 6.407 0.990 1.00 0.00 O ATOM 1351 CB SER A 89 -12.357 5.290 4.047 1.00 0.00 C ATOM 1352 OG SER A 89 -12.151 6.692 3.998 1.00 0.00 O ATOM 0 H SER A 89 -10.597 5.401 1.800 1.00 0.00 H new ATOM 0 HA SER A 89 -12.840 3.700 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.298 5.075 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.565 4.823 4.633 1.00 0.00 H new ATOM 0 HG SER A 89 -12.141 7.053 4.909 1.00 0.00 H new ATOM 1358 N SER A 90 -14.526 5.365 1.737 1.00 0.00 N ATOM 1359 CA SER A 90 -15.434 6.136 0.895 1.00 0.00 C ATOM 1360 C SER A 90 -16.550 6.759 1.728 1.00 0.00 C ATOM 1361 O SER A 90 -16.609 6.574 2.943 1.00 0.00 O ATOM 1362 CB SER A 90 -16.032 5.245 -0.196 1.00 0.00 C ATOM 1363 OG SER A 90 -16.389 6.006 -1.337 1.00 0.00 O ATOM 0 H SER A 90 -14.985 4.674 2.331 1.00 0.00 H new ATOM 0 HA SER A 90 -14.863 6.938 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.312 4.477 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.911 4.731 0.192 1.00 0.00 H new ATOM 0 HG SER A 90 -16.767 5.414 -2.020 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.434 7.497 1.063 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.548 8.148 1.742 1.00 0.00 C ATOM 1371 C GLU A 91 -19.304 7.157 2.622 1.00 0.00 C ATOM 1372 O GLU A 91 -19.562 7.422 3.795 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.503 8.771 0.721 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.687 9.485 1.351 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.304 10.813 1.974 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -19.150 10.944 2.431 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -21.160 11.722 2.004 1.00 0.00 O ATOM 0 H GLU A 91 -17.400 7.659 0.056 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.142 8.935 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.950 9.478 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.872 7.989 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.452 9.651 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.129 8.844 2.114 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.656 6.012 2.045 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.384 4.980 2.775 1.00 0.00 C ATOM 1386 C ASN A 92 -19.579 3.685 2.833 1.00 0.00 C ATOM 1387 O ASN A 92 -20.132 2.593 2.708 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.741 4.722 2.118 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.782 5.751 2.516 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.534 6.602 3.370 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -23.954 5.676 1.897 1.00 0.00 N ATOM 0 H ASN A 92 -19.449 5.776 1.075 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.543 5.334 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.624 4.728 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.092 3.728 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -24.694 6.341 2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -24.115 4.953 1.195 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.270 3.816 3.023 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.390 2.657 3.101 1.00 0.00 C ATOM 1400 C ALA A 93 -16.111 2.989 3.862 1.00 0.00 C ATOM 1401 O ALA A 93 -15.793 4.158 4.082 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.059 2.152 1.704 1.00 0.00 C ATOM 0 H ALA A 93 -17.796 4.713 3.126 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.912 1.871 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.401 1.286 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.979 1.867 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.560 2.941 1.141 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.381 1.953 4.263 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.137 2.135 5.001 1.00 0.00 C ATOM 1410 C PHE A 94 -13.293 0.864 4.967 1.00 0.00 C ATOM 1411 O PHE A 94 -13.778 -0.224 5.277 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.432 2.526 6.451 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.211 2.553 7.325 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.988 2.958 6.817 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.287 2.173 8.656 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.862 2.984 7.619 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.165 2.198 9.462 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.951 2.603 8.943 1.00 0.00 C ATOM 0 H PHE A 94 -15.630 0.979 4.089 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.574 2.937 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.901 3.510 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.153 1.823 6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.913 3.257 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.233 1.854 9.067 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.914 3.302 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.237 1.901 10.498 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.073 2.622 9.572 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.028 1.011 4.588 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.136 -0.133 4.519 1.00 0.00 C ATOM 1430 C GLY A 95 -9.675 0.269 4.550 1.00 0.00 C ATOM 1431 O GLY A 95 -9.341 1.434 4.340 1.00 0.00 O ATOM 0 H GLY A 95 -11.604 1.901 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.343 -0.802 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.337 -0.692 3.605 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.803 -0.699 4.815 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.369 -0.438 4.875 1.00 0.00 C ATOM 1437 C GLU A 96 -6.577 -1.743 4.843 1.00 0.00 C ATOM 1438 O GLU A 96 -7.082 -2.797 5.227 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.024 0.349 6.140 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.816 -0.084 7.362 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.128 -1.187 8.143 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -6.960 -2.292 7.586 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.757 -0.944 9.310 1.00 0.00 O ATOM 0 H GLU A 96 -9.064 -1.669 4.991 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.097 0.154 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.960 0.237 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.203 1.409 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.970 0.776 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.802 -0.427 7.048 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.333 -1.662 4.381 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.491 -2.842 4.306 1.00 0.00 C ATOM 1452 C GLY A 97 -3.169 -2.657 5.024 1.00 0.00 C ATOM 1453 O GLY A 97 -2.910 -1.601 5.601 1.00 0.00 O ATOM 0 H GLY A 97 -4.893 -0.800 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.021 -3.691 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.302 -3.084 3.260 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.330 -3.687 4.989 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.028 -3.634 5.643 1.00 0.00 C ATOM 1459 C PHE A 98 -0.015 -4.508 4.909 1.00 0.00 C ATOM 1460 O PHE A 98 -0.160 -5.729 4.848 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.147 -4.086 7.100 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.845 -3.090 7.982 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.227 -3.082 8.080 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.120 -2.163 8.712 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.872 -2.166 8.890 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.759 -1.245 9.524 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.137 -1.248 9.613 1.00 0.00 C ATOM 0 H PHE A 98 -2.528 -4.568 4.515 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.678 -2.602 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.687 -5.032 7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.149 -4.274 7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.807 -3.799 7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.042 -2.157 8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.950 -2.169 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.182 -0.527 10.088 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.639 -0.533 10.248 1.00 0.00 H new ATOM 1477 N VAL A 99 1.012 -3.873 4.353 1.00 0.00 N ATOM 1478 CA VAL A 99 2.050 -4.591 3.623 1.00 0.00 C ATOM 1479 C VAL A 99 3.440 -4.117 4.035 1.00 0.00 C ATOM 1480 O VAL A 99 3.703 -2.917 4.100 1.00 0.00 O ATOM 1481 CB VAL A 99 1.890 -4.415 2.101 1.00 0.00 C ATOM 1482 CG1 VAL A 99 1.892 -2.940 1.731 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.991 -5.160 1.361 1.00 0.00 C ATOM 0 H VAL A 99 1.147 -2.863 4.394 1.00 0.00 H new ATOM 0 HA VAL A 99 1.940 -5.646 3.873 1.00 0.00 H new ATOM 0 HB VAL A 99 0.931 -4.838 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.778 -2.835 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.065 -2.438 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.834 -2.488 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.863 -5.025 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.962 -4.768 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.938 -6.222 1.602 1.00 0.00 H new ATOM 1493 N ASN A 100 4.325 -5.069 4.313 1.00 0.00 N ATOM 1494 CA ASN A 100 5.689 -4.748 4.719 1.00 0.00 C ATOM 1495 C ASN A 100 6.687 -5.151 3.638 1.00 0.00 C ATOM 1496 O ASN A 100 6.445 -6.082 2.869 1.00 0.00 O ATOM 1497 CB ASN A 100 6.031 -5.454 6.033 1.00 0.00 C ATOM 1498 CG ASN A 100 6.425 -6.903 5.826 1.00 0.00 C ATOM 1499 OD1 ASN A 100 6.066 -7.518 4.821 1.00 0.00 O ATOM 1500 ND2 ASN A 100 7.167 -7.456 6.778 1.00 0.00 N ATOM 0 H ASN A 100 4.123 -6.068 4.265 1.00 0.00 H new ATOM 0 HA ASN A 100 5.754 -3.670 4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.848 -4.925 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.172 -5.406 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.463 -8.428 6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.441 -6.908 7.594 1.00 0.00 H new ATOM 1507 N VAL A 101 7.812 -4.444 3.585 1.00 0.00 N ATOM 1508 CA VAL A 101 8.848 -4.729 2.600 1.00 0.00 C ATOM 1509 C VAL A 101 10.230 -4.742 3.244 1.00 0.00 C ATOM 1510 O VAL A 101 10.697 -3.726 3.759 1.00 0.00 O ATOM 1511 CB VAL A 101 8.836 -3.695 1.458 1.00 0.00 C ATOM 1512 CG1 VAL A 101 10.034 -3.896 0.543 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.535 -3.782 0.675 1.00 0.00 C ATOM 0 H VAL A 101 8.029 -3.670 4.213 1.00 0.00 H new ATOM 0 HA VAL A 101 8.632 -5.716 2.190 1.00 0.00 H new ATOM 0 HB VAL A 101 8.905 -2.698 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.009 -3.157 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.954 -3.778 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.000 -4.897 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.543 -3.045 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.432 -4.780 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.695 -3.583 1.341 1.00 0.00 H new ATOM 1523 N THR A 102 10.880 -5.901 3.212 1.00 0.00 N ATOM 1524 CA THR A 102 12.209 -6.048 3.793 1.00 0.00 C ATOM 1525 C THR A 102 13.293 -5.901 2.732 1.00 0.00 C ATOM 1526 O THR A 102 13.327 -6.652 1.757 1.00 0.00 O ATOM 1527 CB THR A 102 12.370 -7.413 4.489 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.304 -7.614 5.424 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.707 -7.498 5.210 1.00 0.00 C ATOM 0 H THR A 102 10.508 -6.752 2.790 1.00 0.00 H new ATOM 0 HA THR A 102 12.319 -5.255 4.533 1.00 0.00 H new ATOM 0 HB THR A 102 12.336 -8.192 3.727 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.412 -8.484 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.798 -8.470 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.517 -7.373 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.765 -6.711 5.962 1.00 0.00 H new ATOM 1537 N VAL A 103 14.178 -4.929 2.927 1.00 0.00 N ATOM 1538 CA VAL A 103 15.266 -4.685 1.987 1.00 0.00 C ATOM 1539 C VAL A 103 16.551 -5.364 2.445 1.00 0.00 C ATOM 1540 O VAL A 103 17.193 -4.925 3.399 1.00 0.00 O ATOM 1541 CB VAL A 103 15.528 -3.177 1.812 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.785 -2.946 0.986 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.327 -2.498 1.171 1.00 0.00 C ATOM 0 H VAL A 103 14.163 -4.297 3.728 1.00 0.00 H new ATOM 0 HA VAL A 103 14.958 -5.106 1.030 1.00 0.00 H new ATOM 0 HB VAL A 103 15.683 -2.736 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.954 -1.875 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.640 -3.397 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.663 -3.400 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.530 -1.433 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.138 -2.940 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.451 -2.633 1.805 1.00 0.00 H new ATOM 1553 N LYS A 104 16.924 -6.438 1.757 1.00 0.00 N ATOM 1554 CA LYS A 104 18.134 -7.179 2.091 1.00 0.00 C ATOM 1555 C LYS A 104 19.377 -6.433 1.616 1.00 0.00 C ATOM 1556 O LYS A 104 19.385 -5.800 0.560 1.00 0.00 O ATOM 1557 CB LYS A 104 18.093 -8.574 1.462 1.00 0.00 C ATOM 1558 CG LYS A 104 16.925 -9.421 1.937 1.00 0.00 C ATOM 1559 CD LYS A 104 17.199 -10.034 3.300 1.00 0.00 C ATOM 1560 CE LYS A 104 16.043 -10.909 3.760 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.388 -11.687 4.982 1.00 0.00 N ATOM 0 H LYS A 104 16.405 -6.815 0.964 1.00 0.00 H new ATOM 0 HA LYS A 104 18.182 -7.277 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.041 -8.473 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.024 -9.093 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.026 -8.807 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.730 -10.213 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.112 -10.628 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.370 -9.242 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.172 -10.285 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.766 -11.595 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.574 -12.270 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.203 -12.302 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.628 -11.033 5.754 1.00 0.00 H new ATOM 1575 N PRO A 105 20.454 -6.507 2.413 1.00 0.00 N ATOM 1576 CA PRO A 105 21.722 -5.846 2.093 1.00 0.00 C ATOM 1577 C PRO A 105 22.432 -6.495 0.909 1.00 0.00 C ATOM 1578 O PRO A 105 22.397 -7.714 0.745 1.00 0.00 O ATOM 1579 CB PRO A 105 22.546 -6.022 3.371 1.00 0.00 C ATOM 1580 CG PRO A 105 21.981 -7.238 4.022 1.00 0.00 C ATOM 1581 CD PRO A 105 20.515 -7.244 3.687 1.00 0.00 C ATOM 0 HA PRO A 105 21.577 -4.806 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.605 -6.150 3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.461 -5.150 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.469 -8.140 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.135 -7.210 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.131 -8.259 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 105 19.924 -6.757 4.462 1.00 0.00 H new ATOM 1589 N ALA A 106 23.075 -5.672 0.087 1.00 0.00 N ATOM 1590 CA ALA A 106 23.795 -6.166 -1.080 1.00 0.00 C ATOM 1591 C ALA A 106 24.872 -7.167 -0.677 1.00 0.00 C ATOM 1592 O ALA A 106 25.954 -6.783 -0.232 1.00 0.00 O ATOM 1593 CB ALA A 106 24.409 -5.007 -1.851 1.00 0.00 C ATOM 0 H ALA A 106 23.112 -4.660 0.208 1.00 0.00 H new ATOM 0 HA ALA A 106 23.083 -6.680 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.944 -5.391 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.620 -4.330 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.104 -4.468 -1.206 1.00 0.00 H new