USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 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 85 LYS NZ :NH3+ 153:sc= 0.913 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 148:sc= 1.04 USER MOD Set 2.1: A 78 SER OG : rot -35:sc= 1.1 USER MOD Set 2.2: A 82 TYR OH : rot 156:sc= 1.49 USER MOD Set 3.1: A 49 TYR OH : rot 117:sc= 1.05 USER MOD Set 3.2: A 70 GLN : amide:sc= -3.52! C(o=-2.5!,f=-3!) 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= -0.074 K(o=-0.074,f=-0.74) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -6.77! K(o=-6.8!,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.31) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.0214 K(o=0.021,f=-0.93) 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+ -173:sc= 0 (180deg=-0.0185) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.307 (180deg=-0.95) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 76 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -140:sc= -0.189 USER MOD Single : A 92 ASN : amide:sc= -0.507 K(o=-0.51,f=-3.3!) USER MOD Single : A 100 ASN : amide:sc= -2.92 K(o=-2.9,f=-8.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0896 USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= -2.26 (180deg=-2.36) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.763 2.564 7.718 1.00 0.00 N ATOM 119 CA VAL A 11 -20.161 2.512 6.391 1.00 0.00 C ATOM 120 C VAL A 11 -20.047 1.076 5.894 1.00 0.00 C ATOM 121 O VAL A 11 -20.217 0.127 6.660 1.00 0.00 O ATOM 122 CB VAL A 11 -18.762 3.158 6.384 1.00 0.00 C ATOM 123 CG1 VAL A 11 -18.852 4.631 6.754 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.829 2.418 7.330 1.00 0.00 C ATOM 0 HA VAL A 11 -20.816 3.073 5.725 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.352 3.086 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.854 5.070 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.484 5.149 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.282 4.730 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.846 2.888 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.232 2.457 8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.740 1.378 7.014 1.00 0.00 H new ATOM 134 N LYS A 12 -19.760 0.922 4.606 1.00 0.00 N ATOM 135 CA LYS A 12 -19.622 -0.399 4.005 1.00 0.00 C ATOM 136 C LYS A 12 -18.315 -1.059 4.434 1.00 0.00 C ATOM 137 O LYS A 12 -17.426 -0.401 4.975 1.00 0.00 O ATOM 138 CB LYS A 12 -19.675 -0.296 2.479 1.00 0.00 C ATOM 139 CG LYS A 12 -21.079 -0.411 1.911 1.00 0.00 C ATOM 140 CD LYS A 12 -21.114 -0.058 0.433 1.00 0.00 C ATOM 141 CE LYS A 12 -21.091 1.447 0.219 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.232 1.805 -1.220 1.00 0.00 N ATOM 0 H LYS A 12 -19.618 1.697 3.958 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.451 -1.016 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.245 0.657 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.052 -1.080 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.447 -1.427 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.750 0.250 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.260 -0.511 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -22.012 -0.477 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.898 1.907 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.156 1.854 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.212 2.840 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.448 1.387 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.135 1.438 -1.582 1.00 0.00 H new ATOM 156 N GLU A 13 -18.206 -2.360 4.189 1.00 0.00 N ATOM 157 CA GLU A 13 -17.006 -3.107 4.550 1.00 0.00 C ATOM 158 C GLU A 13 -16.222 -3.513 3.306 1.00 0.00 C ATOM 159 O GLU A 13 -16.615 -4.428 2.581 1.00 0.00 O ATOM 160 CB GLU A 13 -17.378 -4.351 5.360 1.00 0.00 C ATOM 161 CG GLU A 13 -18.473 -5.189 4.721 1.00 0.00 C ATOM 162 CD GLU A 13 -18.818 -6.419 5.537 1.00 0.00 C ATOM 163 OE1 GLU A 13 -19.631 -6.297 6.478 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.276 -7.503 5.236 1.00 0.00 O ATOM 0 H GLU A 13 -18.933 -2.919 3.742 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.376 -2.459 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.489 -4.968 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.701 -4.043 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.367 -4.578 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.155 -5.496 3.725 1.00 0.00 H new ATOM 171 N LEU A 14 -15.112 -2.825 3.063 1.00 0.00 N ATOM 172 CA LEU A 14 -14.271 -3.112 1.906 1.00 0.00 C ATOM 173 C LEU A 14 -13.030 -3.899 2.316 1.00 0.00 C ATOM 174 O LEU A 14 -12.317 -3.517 3.244 1.00 0.00 O ATOM 175 CB LEU A 14 -13.858 -1.811 1.216 1.00 0.00 C ATOM 176 CG LEU A 14 -14.965 -0.773 1.022 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.371 0.578 0.653 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.948 -1.235 -0.044 1.00 0.00 C ATOM 0 H LEU A 14 -14.773 -2.064 3.652 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.850 -3.718 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.057 -1.354 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.443 -2.057 0.239 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.505 -0.665 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.173 1.304 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.707 0.914 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.806 0.486 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.729 -0.485 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.422 -1.372 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.398 -2.180 0.261 1.00 0.00 H new ATOM 190 N THR A 15 -12.777 -5.001 1.617 1.00 0.00 N ATOM 191 CA THR A 15 -11.622 -5.842 1.907 1.00 0.00 C ATOM 192 C THR A 15 -10.388 -5.359 1.154 1.00 0.00 C ATOM 193 O THR A 15 -10.189 -5.695 -0.013 1.00 0.00 O ATOM 194 CB THR A 15 -11.892 -7.313 1.538 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.078 -7.773 2.195 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.715 -8.193 1.929 1.00 0.00 C ATOM 0 H THR A 15 -13.357 -5.332 0.846 1.00 0.00 H new ATOM 0 HA THR A 15 -11.440 -5.772 2.979 1.00 0.00 H new ATOM 0 HB THR A 15 -12.029 -7.375 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.244 -8.708 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.928 -9.227 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.820 -7.858 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.552 -8.125 3.005 1.00 0.00 H new ATOM 204 N VAL A 16 -9.560 -4.568 1.830 1.00 0.00 N ATOM 205 CA VAL A 16 -8.343 -4.041 1.225 1.00 0.00 C ATOM 206 C VAL A 16 -7.140 -4.916 1.557 1.00 0.00 C ATOM 207 O VAL A 16 -6.892 -5.233 2.721 1.00 0.00 O ATOM 208 CB VAL A 16 -8.061 -2.601 1.695 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.753 -2.094 1.107 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.215 -1.683 1.319 1.00 0.00 C ATOM 0 H VAL A 16 -9.710 -4.278 2.796 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.501 -4.040 0.147 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.967 -2.603 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.570 -1.076 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.935 -2.738 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.815 -2.105 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.999 -0.670 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.343 -1.684 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.131 -2.037 1.792 1.00 0.00 H new ATOM 220 N SER A 17 -6.394 -5.304 0.527 1.00 0.00 N ATOM 221 CA SER A 17 -5.218 -6.146 0.709 1.00 0.00 C ATOM 222 C SER A 17 -4.169 -5.852 -0.358 1.00 0.00 C ATOM 223 O SER A 17 -4.442 -5.944 -1.555 1.00 0.00 O ATOM 224 CB SER A 17 -5.610 -7.624 0.661 1.00 0.00 C ATOM 225 OG SER A 17 -4.676 -8.423 1.365 1.00 0.00 O ATOM 0 H SER A 17 -6.584 -5.048 -0.442 1.00 0.00 H new ATOM 0 HA SER A 17 -4.790 -5.923 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.603 -7.754 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.667 -7.955 -0.376 1.00 0.00 H new ATOM 0 HG SER A 17 -4.950 -9.363 1.321 1.00 0.00 H new ATOM 231 N ALA A 18 -2.967 -5.496 0.084 1.00 0.00 N ATOM 232 CA ALA A 18 -1.875 -5.190 -0.832 1.00 0.00 C ATOM 233 C ALA A 18 -1.361 -6.452 -1.515 1.00 0.00 C ATOM 234 O ALA A 18 -1.023 -6.436 -2.698 1.00 0.00 O ATOM 235 CB ALA A 18 -0.745 -4.490 -0.091 1.00 0.00 C ATOM 0 H ALA A 18 -2.725 -5.412 1.071 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.257 -4.522 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.064 -4.267 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.115 -3.562 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.373 -5.139 0.702 1.00 0.00 H new ATOM 241 N GLY A 19 -1.303 -7.546 -0.761 1.00 0.00 N ATOM 242 CA GLY A 19 -0.827 -8.802 -1.311 1.00 0.00 C ATOM 243 C GLY A 19 -0.090 -9.641 -0.286 1.00 0.00 C ATOM 244 O GLY A 19 -0.634 -10.613 0.238 1.00 0.00 O ATOM 0 H GLY A 19 -1.577 -7.585 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.673 -9.369 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.166 -8.599 -2.153 1.00 0.00 H new ATOM 248 N ASP A 20 1.152 -9.267 -0.001 1.00 0.00 N ATOM 249 CA ASP A 20 1.966 -9.993 0.967 1.00 0.00 C ATOM 250 C ASP A 20 3.303 -9.291 1.188 1.00 0.00 C ATOM 251 O ASP A 20 3.573 -8.249 0.594 1.00 0.00 O ATOM 252 CB ASP A 20 2.202 -11.428 0.494 1.00 0.00 C ATOM 253 CG ASP A 20 2.439 -12.386 1.645 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.706 -12.297 2.651 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.359 -13.224 1.539 1.00 0.00 O ATOM 0 H ASP A 20 1.617 -8.465 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 20 1.426 -10.015 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.340 -11.764 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.062 -11.450 -0.176 1.00 0.00 H new ATOM 260 N ASN A 21 4.134 -9.870 2.048 1.00 0.00 N ATOM 261 CA ASN A 21 5.442 -9.300 2.349 1.00 0.00 C ATOM 262 C ASN A 21 6.387 -9.449 1.160 1.00 0.00 C ATOM 263 O ASN A 21 6.544 -10.540 0.610 1.00 0.00 O ATOM 264 CB ASN A 21 6.045 -9.976 3.582 1.00 0.00 C ATOM 265 CG ASN A 21 6.164 -11.479 3.418 1.00 0.00 C ATOM 266 OD1 ASN A 21 5.210 -12.218 3.659 1.00 0.00 O ATOM 267 ND2 ASN A 21 7.340 -11.937 3.004 1.00 0.00 N ATOM 0 H ASN A 21 3.925 -10.734 2.549 1.00 0.00 H new ATOM 0 HA ASN A 21 5.309 -8.238 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.031 -9.555 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.427 -9.756 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.480 -12.939 2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.103 -11.287 2.816 1.00 0.00 H new ATOM 274 N LEU A 22 7.015 -8.345 0.769 1.00 0.00 N ATOM 275 CA LEU A 22 7.946 -8.352 -0.354 1.00 0.00 C ATOM 276 C LEU A 22 9.372 -8.088 0.119 1.00 0.00 C ATOM 277 O LEU A 22 9.605 -7.227 0.968 1.00 0.00 O ATOM 278 CB LEU A 22 7.536 -7.302 -1.388 1.00 0.00 C ATOM 279 CG LEU A 22 6.059 -7.291 -1.784 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.518 -8.709 -1.866 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.249 -6.465 -0.796 1.00 0.00 C ATOM 0 H LEU A 22 6.896 -7.434 1.213 1.00 0.00 H new ATOM 0 HA LEU A 22 7.913 -9.339 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.794 -6.317 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.132 -7.455 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 22 5.970 -6.833 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.466 -8.681 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.080 -9.270 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.620 -9.194 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.200 -6.468 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.345 -6.894 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.621 -5.440 -0.788 1.00 0.00 H new ATOM 293 N ILE A 23 10.322 -8.832 -0.437 1.00 0.00 N ATOM 294 CA ILE A 23 11.725 -8.675 -0.075 1.00 0.00 C ATOM 295 C ILE A 23 12.581 -8.388 -1.303 1.00 0.00 C ATOM 296 O ILE A 23 12.510 -9.103 -2.303 1.00 0.00 O ATOM 297 CB ILE A 23 12.267 -9.931 0.633 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.385 -10.289 1.831 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.706 -9.710 1.075 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.864 -11.505 2.592 1.00 0.00 C ATOM 0 H ILE A 23 10.146 -9.550 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 23 11.782 -7.829 0.610 1.00 0.00 H new ATOM 0 HB ILE A 23 12.247 -10.764 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.346 -9.437 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.367 -10.466 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.075 -10.606 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.326 -9.498 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.749 -8.867 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.191 -11.700 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.876 -12.369 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.870 -11.324 2.971 1.00 0.00 H new ATOM 312 N ILE A 24 13.392 -7.338 -1.220 1.00 0.00 N ATOM 313 CA ILE A 24 14.265 -6.958 -2.324 1.00 0.00 C ATOM 314 C ILE A 24 15.733 -7.079 -1.931 1.00 0.00 C ATOM 315 O ILE A 24 16.070 -7.116 -0.747 1.00 0.00 O ATOM 316 CB ILE A 24 13.987 -5.517 -2.791 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.492 -4.665 -1.621 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.970 -5.514 -3.923 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.207 -3.228 -1.998 1.00 0.00 C ATOM 0 H ILE A 24 13.462 -6.736 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 24 14.053 -7.644 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 24 14.916 -5.085 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.585 -5.112 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.239 -4.683 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.784 -4.489 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.358 -6.091 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.038 -5.961 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.860 -2.683 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.118 -2.764 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.438 -3.200 -2.770 1.00 0.00 H new ATOM 331 N THR A 25 16.605 -7.139 -2.932 1.00 0.00 N ATOM 332 CA THR A 25 18.038 -7.255 -2.692 1.00 0.00 C ATOM 333 C THR A 25 18.815 -6.211 -3.486 1.00 0.00 C ATOM 334 O THR A 25 18.712 -6.146 -4.712 1.00 0.00 O ATOM 335 CB THR A 25 18.558 -8.657 -3.062 1.00 0.00 C ATOM 336 OG1 THR A 25 17.726 -9.660 -2.469 1.00 0.00 O ATOM 337 CG2 THR A 25 19.994 -8.841 -2.595 1.00 0.00 C ATOM 0 H THR A 25 16.344 -7.109 -3.918 1.00 0.00 H new ATOM 0 HA THR A 25 18.194 -7.087 -1.626 1.00 0.00 H new ATOM 0 HB THR A 25 18.529 -8.757 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.062 -10.548 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.340 -9.838 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.630 -8.094 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.043 -8.723 -1.513 1.00 0.00 H new ATOM 345 N LEU A 26 19.593 -5.397 -2.782 1.00 0.00 N ATOM 346 CA LEU A 26 20.389 -4.355 -3.422 1.00 0.00 C ATOM 347 C LEU A 26 21.150 -4.912 -4.622 1.00 0.00 C ATOM 348 O LEU A 26 21.431 -6.107 -4.709 1.00 0.00 O ATOM 349 CB LEU A 26 21.370 -3.747 -2.419 1.00 0.00 C ATOM 350 CG LEU A 26 20.774 -2.771 -1.404 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.876 -2.074 -0.622 1.00 0.00 C ATOM 352 CD2 LEU A 26 19.886 -1.751 -2.103 1.00 0.00 C ATOM 0 H LEU A 26 19.690 -5.438 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 26 19.711 -3.578 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.850 -4.559 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.152 -3.230 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 26 20.161 -3.336 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.432 -1.383 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.471 -2.817 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.516 -1.521 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.470 -1.064 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.476 -1.191 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.075 -2.266 -2.617 1.00 0.00 H new ATOM 364 N PRO A 27 21.493 -4.025 -5.568 1.00 0.00 N ATOM 365 CA PRO A 27 21.163 -2.600 -5.474 1.00 0.00 C ATOM 366 C PRO A 27 19.669 -2.339 -5.634 1.00 0.00 C ATOM 367 O PRO A 27 19.175 -1.268 -5.280 1.00 0.00 O ATOM 368 CB PRO A 27 21.942 -1.978 -6.636 1.00 0.00 C ATOM 369 CG PRO A 27 22.109 -3.088 -7.617 1.00 0.00 C ATOM 370 CD PRO A 27 22.230 -4.346 -6.802 1.00 0.00 C ATOM 0 HA PRO A 27 21.421 -2.185 -4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.398 -1.141 -7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.907 -1.593 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.256 -3.142 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 27 22.996 -2.935 -8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.796 -5.202 -7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.271 -4.592 -6.596 1.00 0.00 H new ATOM 378 N ASP A 28 18.955 -3.324 -6.168 1.00 0.00 N ATOM 379 CA ASP A 28 17.517 -3.201 -6.373 1.00 0.00 C ATOM 380 C ASP A 28 16.823 -2.744 -5.094 1.00 0.00 C ATOM 381 O ASP A 28 16.510 -3.555 -4.222 1.00 0.00 O ATOM 382 CB ASP A 28 16.931 -4.535 -6.838 1.00 0.00 C ATOM 383 CG ASP A 28 16.928 -4.671 -8.348 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.326 -3.808 -9.021 1.00 0.00 O ATOM 385 OD2 ASP A 28 17.528 -5.641 -8.856 1.00 0.00 O ATOM 0 H ASP A 28 19.349 -4.216 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 28 17.347 -2.450 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.506 -5.352 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.911 -4.630 -6.465 1.00 0.00 H new ATOM 390 N ASN A 29 16.586 -1.441 -4.988 1.00 0.00 N ATOM 391 CA ASN A 29 15.930 -0.876 -3.814 1.00 0.00 C ATOM 392 C ASN A 29 14.591 -0.248 -4.188 1.00 0.00 C ATOM 393 O ASN A 29 14.041 0.557 -3.438 1.00 0.00 O ATOM 394 CB ASN A 29 16.830 0.171 -3.155 1.00 0.00 C ATOM 395 CG ASN A 29 17.401 1.156 -4.158 1.00 0.00 C ATOM 396 OD1 ASN A 29 18.617 1.273 -4.306 1.00 0.00 O ATOM 397 ND2 ASN A 29 16.521 1.870 -4.851 1.00 0.00 N ATOM 0 H ASN A 29 16.838 -0.756 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 29 15.747 -1.685 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.260 0.714 -2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.647 -0.331 -2.637 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.845 2.549 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.522 1.739 -4.694 1.00 0.00 H new ATOM 404 N GLU A 30 14.072 -0.623 -5.354 1.00 0.00 N ATOM 405 CA GLU A 30 12.798 -0.097 -5.827 1.00 0.00 C ATOM 406 C GLU A 30 11.732 -1.188 -5.848 1.00 0.00 C ATOM 407 O GLU A 30 11.974 -2.299 -6.320 1.00 0.00 O ATOM 408 CB GLU A 30 12.957 0.503 -7.226 1.00 0.00 C ATOM 409 CG GLU A 30 14.088 1.512 -7.331 1.00 0.00 C ATOM 410 CD GLU A 30 14.303 2.003 -8.749 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.308 2.387 -9.400 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.464 2.003 -9.209 1.00 0.00 O ATOM 0 H GLU A 30 14.515 -1.289 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 30 12.479 0.685 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.132 -0.302 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.023 0.986 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.872 2.363 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.009 1.059 -6.964 1.00 0.00 H new ATOM 419 N VAL A 31 10.550 -0.864 -5.333 1.00 0.00 N ATOM 420 CA VAL A 31 9.446 -1.815 -5.292 1.00 0.00 C ATOM 421 C VAL A 31 8.115 -1.124 -5.563 1.00 0.00 C ATOM 422 O VAL A 31 7.881 -0.006 -5.104 1.00 0.00 O ATOM 423 CB VAL A 31 9.373 -2.532 -3.931 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.322 -1.521 -2.797 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.170 -3.461 -3.883 1.00 0.00 C ATOM 0 H VAL A 31 10.333 0.051 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 31 9.634 -2.552 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 31 10.273 -3.134 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.271 -2.046 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.218 -0.901 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.441 -0.890 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.134 -3.960 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.258 -2.883 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.255 -4.208 -4.672 1.00 0.00 H new ATOM 435 N GLU A 32 7.245 -1.798 -6.310 1.00 0.00 N ATOM 436 CA GLU A 32 5.936 -1.247 -6.641 1.00 0.00 C ATOM 437 C GLU A 32 4.823 -2.056 -5.982 1.00 0.00 C ATOM 438 O GLU A 32 4.557 -3.196 -6.367 1.00 0.00 O ATOM 439 CB GLU A 32 5.737 -1.225 -8.158 1.00 0.00 C ATOM 440 CG GLU A 32 4.293 -1.008 -8.579 1.00 0.00 C ATOM 441 CD GLU A 32 4.169 -0.523 -10.010 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.068 -0.829 -10.821 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.172 0.162 -10.319 1.00 0.00 O ATOM 0 H GLU A 32 7.423 -2.725 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 32 5.893 -0.226 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.354 -0.435 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.091 -2.167 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.742 -1.942 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.829 -0.282 -7.912 1.00 0.00 H new ATOM 450 N LEU A 33 4.176 -1.460 -4.987 1.00 0.00 N ATOM 451 CA LEU A 33 3.091 -2.125 -4.273 1.00 0.00 C ATOM 452 C LEU A 33 1.737 -1.741 -4.861 1.00 0.00 C ATOM 453 O LEU A 33 1.597 -0.696 -5.497 1.00 0.00 O ATOM 454 CB LEU A 33 3.136 -1.764 -2.787 1.00 0.00 C ATOM 455 CG LEU A 33 4.521 -1.758 -2.139 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.576 -0.744 -1.008 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.878 -3.147 -1.631 1.00 0.00 C ATOM 0 H LEU A 33 4.383 -0.518 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 33 3.222 -3.201 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.693 -0.776 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.506 -2.468 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 33 5.253 -1.470 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.569 -0.754 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.365 0.251 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.833 -1.001 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.867 -3.124 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.143 -3.464 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.880 -3.850 -2.464 1.00 0.00 H new ATOM 469 N LYS A 34 0.740 -2.592 -4.643 1.00 0.00 N ATOM 470 CA LYS A 34 -0.605 -2.341 -5.147 1.00 0.00 C ATOM 471 C LYS A 34 -1.657 -2.798 -4.141 1.00 0.00 C ATOM 472 O LYS A 34 -1.546 -3.878 -3.560 1.00 0.00 O ATOM 473 CB LYS A 34 -0.814 -3.060 -6.482 1.00 0.00 C ATOM 474 CG LYS A 34 -2.241 -2.985 -6.996 1.00 0.00 C ATOM 475 CD LYS A 34 -2.382 -3.662 -8.350 1.00 0.00 C ATOM 476 CE LYS A 34 -3.772 -3.459 -8.932 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.917 -4.114 -10.261 1.00 0.00 N ATOM 0 H LYS A 34 0.838 -3.462 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.715 -1.267 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.145 -2.628 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.532 -4.107 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.912 -3.459 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.546 -1.941 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.637 -3.262 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.181 -4.728 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.516 -3.862 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.973 -2.392 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.878 -3.953 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.224 -3.711 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.750 -5.136 -10.164 1.00 0.00 H new ATOM 491 N ALA A 35 -2.677 -1.971 -3.942 1.00 0.00 N ATOM 492 CA ALA A 35 -3.751 -2.292 -3.009 1.00 0.00 C ATOM 493 C ALA A 35 -4.959 -2.868 -3.740 1.00 0.00 C ATOM 494 O ALA A 35 -5.506 -2.240 -4.647 1.00 0.00 O ATOM 495 CB ALA A 35 -4.150 -1.055 -2.218 1.00 0.00 C ATOM 0 H ALA A 35 -2.783 -1.073 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.384 -3.049 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.953 -1.309 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.290 -0.688 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.494 -0.280 -2.903 1.00 0.00 H new ATOM 501 N PHE A 36 -5.370 -4.066 -3.340 1.00 0.00 N ATOM 502 CA PHE A 36 -6.513 -4.728 -3.958 1.00 0.00 C ATOM 503 C PHE A 36 -7.765 -4.567 -3.100 1.00 0.00 C ATOM 504 O PHE A 36 -7.834 -5.077 -1.982 1.00 0.00 O ATOM 505 CB PHE A 36 -6.215 -6.213 -4.172 1.00 0.00 C ATOM 506 CG PHE A 36 -5.410 -6.491 -5.409 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.007 -6.480 -6.659 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.054 -6.764 -5.321 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.269 -6.734 -7.799 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.310 -7.020 -6.458 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.918 -7.006 -7.698 1.00 0.00 C ATOM 0 H PHE A 36 -4.929 -4.599 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.694 -4.258 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.677 -6.596 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.156 -6.759 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.063 -6.270 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.573 -6.777 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.747 -6.720 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.254 -7.231 -6.376 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.339 -7.207 -8.587 1.00 0.00 H new ATOM 521 N VAL A 37 -8.752 -3.853 -3.632 1.00 0.00 N ATOM 522 CA VAL A 37 -10.002 -3.624 -2.916 1.00 0.00 C ATOM 523 C VAL A 37 -11.156 -4.371 -3.575 1.00 0.00 C ATOM 524 O VAL A 37 -11.320 -4.331 -4.794 1.00 0.00 O ATOM 525 CB VAL A 37 -10.345 -2.124 -2.852 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.611 -1.901 -2.039 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.181 -1.336 -2.269 1.00 0.00 C ATOM 0 H VAL A 37 -8.710 -3.423 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.861 -4.000 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.525 -1.766 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.838 -0.836 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.440 -2.434 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.463 -2.273 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.441 -0.278 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.968 -1.694 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.300 -1.471 -2.896 1.00 0.00 H new ATOM 537 N ALA A 38 -11.955 -5.052 -2.759 1.00 0.00 N ATOM 538 CA ALA A 38 -13.097 -5.805 -3.262 1.00 0.00 C ATOM 539 C ALA A 38 -14.338 -5.554 -2.412 1.00 0.00 C ATOM 540 O ALA A 38 -14.271 -5.456 -1.187 1.00 0.00 O ATOM 541 CB ALA A 38 -12.773 -7.292 -3.299 1.00 0.00 C ATOM 0 H ALA A 38 -11.832 -5.097 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.308 -5.464 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.634 -7.843 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.918 -7.462 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.534 -7.637 -2.293 1.00 0.00 H new ATOM 547 N PRO A 39 -15.498 -5.445 -3.076 1.00 0.00 N ATOM 548 CA PRO A 39 -15.589 -5.559 -4.535 1.00 0.00 C ATOM 549 C PRO A 39 -14.956 -4.370 -5.250 1.00 0.00 C ATOM 550 O PRO A 39 -14.803 -3.295 -4.670 1.00 0.00 O ATOM 551 CB PRO A 39 -17.098 -5.597 -4.794 1.00 0.00 C ATOM 552 CG PRO A 39 -17.701 -4.895 -3.627 1.00 0.00 C ATOM 553 CD PRO A 39 -16.811 -5.202 -2.454 1.00 0.00 C ATOM 0 HA PRO A 39 -15.056 -6.433 -4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.352 -5.099 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.461 -6.622 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.757 -3.821 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.718 -5.242 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.774 -4.371 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.161 -6.074 -1.901 1.00 0.00 H new ATOM 561 N ALA A 40 -14.591 -4.570 -6.512 1.00 0.00 N ATOM 562 CA ALA A 40 -13.977 -3.514 -7.306 1.00 0.00 C ATOM 563 C ALA A 40 -14.990 -2.428 -7.652 1.00 0.00 C ATOM 564 O ALA A 40 -16.162 -2.699 -7.913 1.00 0.00 O ATOM 565 CB ALA A 40 -13.367 -4.093 -8.574 1.00 0.00 C ATOM 0 H ALA A 40 -14.710 -5.454 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.185 -3.060 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.912 -3.292 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.606 -4.827 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.146 -4.575 -9.165 1.00 0.00 H new ATOM 571 N PRO A 41 -14.530 -1.168 -7.655 1.00 0.00 N ATOM 572 CA PRO A 41 -15.381 -0.015 -7.968 1.00 0.00 C ATOM 573 C PRO A 41 -15.785 0.025 -9.437 1.00 0.00 C ATOM 574 O PRO A 41 -15.071 -0.460 -10.316 1.00 0.00 O ATOM 575 CB PRO A 41 -14.494 1.184 -7.623 1.00 0.00 C ATOM 576 CG PRO A 41 -13.100 0.676 -7.761 1.00 0.00 C ATOM 577 CD PRO A 41 -13.144 -0.771 -7.353 1.00 0.00 C ATOM 0 HA PRO A 41 -16.321 -0.040 -7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.679 2.020 -8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.687 1.541 -6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.746 0.782 -8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.415 1.239 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.424 -1.368 -7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.911 -0.898 -6.296 1.00 0.00 H new ATOM 585 N PRO A 42 -16.956 0.617 -9.714 1.00 0.00 N ATOM 586 CA PRO A 42 -17.480 0.736 -11.078 1.00 0.00 C ATOM 587 C PRO A 42 -16.674 1.714 -11.926 1.00 0.00 C ATOM 588 O PRO A 42 -15.634 2.213 -11.496 1.00 0.00 O ATOM 589 CB PRO A 42 -18.903 1.259 -10.866 1.00 0.00 C ATOM 590 CG PRO A 42 -18.856 1.966 -9.556 1.00 0.00 C ATOM 591 CD PRO A 42 -17.858 1.217 -8.717 1.00 0.00 C ATOM 0 HA PRO A 42 -17.434 -0.211 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.201 1.933 -11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.626 0.444 -10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.556 3.006 -9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.837 1.974 -9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.323 1.882 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.340 0.457 -8.102 1.00 0.00 H new ATOM 599 N VAL A 43 -17.161 1.984 -13.133 1.00 0.00 N ATOM 600 CA VAL A 43 -16.486 2.903 -14.041 1.00 0.00 C ATOM 601 C VAL A 43 -16.653 4.348 -13.584 1.00 0.00 C ATOM 602 O VAL A 43 -15.897 5.229 -13.991 1.00 0.00 O ATOM 603 CB VAL A 43 -17.021 2.766 -15.479 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.541 2.707 -15.480 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.522 3.913 -16.344 1.00 0.00 C ATOM 0 H VAL A 43 -18.020 1.579 -13.504 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.428 2.640 -14.029 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.646 1.834 -15.901 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.901 2.610 -16.504 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.872 1.848 -14.896 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.941 3.620 -15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.909 3.800 -17.357 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.866 4.860 -15.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.432 3.902 -16.369 1.00 0.00 H new ATOM 615 N GLU A 44 -17.650 4.584 -12.736 1.00 0.00 N ATOM 616 CA GLU A 44 -17.916 5.923 -12.225 1.00 0.00 C ATOM 617 C GLU A 44 -17.337 6.095 -10.823 1.00 0.00 C ATOM 618 O GLU A 44 -16.323 6.770 -10.636 1.00 0.00 O ATOM 619 CB GLU A 44 -19.422 6.194 -12.203 1.00 0.00 C ATOM 620 CG GLU A 44 -20.030 6.364 -13.585 1.00 0.00 C ATOM 621 CD GLU A 44 -19.850 7.766 -14.134 1.00 0.00 C ATOM 622 OE1 GLU A 44 -20.094 8.732 -13.381 1.00 0.00 O ATOM 623 OE2 GLU A 44 -19.466 7.896 -15.314 1.00 0.00 O ATOM 0 H GLU A 44 -18.286 3.866 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.434 6.640 -12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.923 5.371 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.612 7.094 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.573 5.649 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.093 6.129 -13.541 1.00 0.00 H new ATOM 630 N THR A 45 -17.988 5.481 -9.840 1.00 0.00 N ATOM 631 CA THR A 45 -17.539 5.567 -8.456 1.00 0.00 C ATOM 632 C THR A 45 -16.120 5.033 -8.304 1.00 0.00 C ATOM 633 O THR A 45 -15.784 3.972 -8.832 1.00 0.00 O ATOM 634 CB THR A 45 -18.474 4.785 -7.514 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.838 5.129 -7.780 1.00 0.00 O ATOM 636 CG2 THR A 45 -18.145 5.080 -6.058 1.00 0.00 C ATOM 0 H THR A 45 -18.828 4.919 -9.977 1.00 0.00 H new ATOM 0 HA THR A 45 -17.558 6.622 -8.182 1.00 0.00 H new ATOM 0 HB THR A 45 -18.327 3.720 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.426 4.626 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.818 4.517 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.115 4.789 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.266 6.146 -5.867 1.00 0.00 H new ATOM 644 N THR A 46 -15.288 5.774 -7.578 1.00 0.00 N ATOM 645 CA THR A 46 -13.904 5.375 -7.356 1.00 0.00 C ATOM 646 C THR A 46 -13.510 5.548 -5.894 1.00 0.00 C ATOM 647 O THR A 46 -14.009 6.440 -5.207 1.00 0.00 O ATOM 648 CB THR A 46 -12.937 6.189 -8.236 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.595 5.730 -8.044 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.023 7.672 -7.906 1.00 0.00 C ATOM 0 H THR A 46 -15.549 6.654 -7.134 1.00 0.00 H new ATOM 0 HA THR A 46 -13.831 4.322 -7.627 1.00 0.00 H new ATOM 0 HB THR A 46 -13.223 6.047 -9.278 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.987 6.252 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.331 8.227 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.039 8.025 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.760 7.828 -6.860 1.00 0.00 H new ATOM 658 N TYR A 47 -12.612 4.690 -5.423 1.00 0.00 N ATOM 659 CA TYR A 47 -12.152 4.746 -4.041 1.00 0.00 C ATOM 660 C TYR A 47 -10.859 5.549 -3.929 1.00 0.00 C ATOM 661 O TYR A 47 -10.205 5.835 -4.931 1.00 0.00 O ATOM 662 CB TYR A 47 -11.937 3.334 -3.494 1.00 0.00 C ATOM 663 CG TYR A 47 -13.158 2.450 -3.604 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.422 2.936 -3.292 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.049 1.129 -4.019 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.541 2.131 -3.390 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.162 0.317 -4.121 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.406 0.823 -3.805 1.00 0.00 C ATOM 669 OH TYR A 47 -16.518 0.019 -3.905 1.00 0.00 O ATOM 0 H TYR A 47 -12.188 3.947 -5.979 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.921 5.244 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.111 2.867 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.640 3.400 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.532 3.960 -2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.077 0.729 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.516 2.524 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.059 -0.708 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.251 -0.872 -4.212 1.00 0.00 H new ATOM 679 N ASN A 48 -10.498 5.910 -2.702 1.00 0.00 N ATOM 680 CA ASN A 48 -9.284 6.679 -2.458 1.00 0.00 C ATOM 681 C ASN A 48 -8.179 5.789 -1.896 1.00 0.00 C ATOM 682 O ASN A 48 -8.426 4.944 -1.035 1.00 0.00 O ATOM 683 CB ASN A 48 -9.570 7.829 -1.489 1.00 0.00 C ATOM 684 CG ASN A 48 -10.151 9.043 -2.187 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.427 9.819 -2.811 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.464 9.212 -2.086 1.00 0.00 N ATOM 0 H ASN A 48 -11.029 5.682 -1.861 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.947 7.089 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.264 7.489 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.647 8.112 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.912 10.010 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.025 8.543 -1.558 1.00 0.00 H new ATOM 693 N TYR A 49 -6.961 5.985 -2.389 1.00 0.00 N ATOM 694 CA TYR A 49 -5.819 5.200 -1.938 1.00 0.00 C ATOM 695 C TYR A 49 -4.797 6.082 -1.227 1.00 0.00 C ATOM 696 O TYR A 49 -4.094 6.868 -1.860 1.00 0.00 O ATOM 697 CB TYR A 49 -5.160 4.492 -3.124 1.00 0.00 C ATOM 698 CG TYR A 49 -6.087 3.550 -3.858 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.884 4.002 -4.903 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.166 2.208 -3.507 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.733 3.145 -5.576 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.011 1.343 -4.176 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.793 1.817 -5.209 1.00 0.00 C ATOM 704 OH TYR A 49 -8.637 0.959 -5.877 1.00 0.00 O ATOM 0 H TYR A 49 -6.740 6.681 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.181 4.453 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.789 5.241 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.295 3.933 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.839 5.041 -5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.557 1.834 -2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.346 3.513 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.059 0.302 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.110 0.263 -6.323 1.00 0.00 H new ATOM 714 N GLU A 50 -4.723 5.944 0.093 1.00 0.00 N ATOM 715 CA GLU A 50 -3.788 6.729 0.891 1.00 0.00 C ATOM 716 C GLU A 50 -2.803 5.821 1.623 1.00 0.00 C ATOM 717 O GLU A 50 -3.204 4.922 2.363 1.00 0.00 O ATOM 718 CB GLU A 50 -4.546 7.595 1.899 1.00 0.00 C ATOM 719 CG GLU A 50 -3.714 8.729 2.473 1.00 0.00 C ATOM 720 CD GLU A 50 -3.850 10.014 1.678 1.00 0.00 C ATOM 721 OE1 GLU A 50 -3.133 10.163 0.667 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.672 10.869 2.068 1.00 0.00 O ATOM 0 H GLU A 50 -5.298 5.297 0.632 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.227 7.376 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.429 8.012 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.898 6.964 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.017 8.911 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.666 8.430 2.496 1.00 0.00 H new ATOM 729 N TRP A 51 -1.515 6.064 1.411 1.00 0.00 N ATOM 730 CA TRP A 51 -0.472 5.269 2.050 1.00 0.00 C ATOM 731 C TRP A 51 0.228 6.068 3.143 1.00 0.00 C ATOM 732 O TRP A 51 0.256 7.297 3.105 1.00 0.00 O ATOM 733 CB TRP A 51 0.547 4.799 1.011 1.00 0.00 C ATOM 734 CG TRP A 51 -0.006 3.792 0.049 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.676 4.050 -1.113 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.060 2.366 0.167 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.030 2.872 -1.724 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.589 1.824 -0.960 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.607 1.496 1.113 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.705 0.452 -1.162 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.490 0.134 0.911 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.161 -0.378 -0.220 1.00 0.00 C ATOM 0 H TRP A 51 -1.167 6.805 0.802 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.941 4.398 2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.911 5.662 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.406 4.367 1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.895 5.036 -1.495 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.539 2.791 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.112 1.881 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.207 0.056 -2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.907 -0.548 1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.235 -1.448 -0.350 1.00 0.00 H new ATOM 753 N ASN A 52 0.794 5.361 4.116 1.00 0.00 N ATOM 754 CA ASN A 52 1.495 6.006 5.220 1.00 0.00 C ATOM 755 C ASN A 52 2.516 5.059 5.843 1.00 0.00 C ATOM 756 O ASN A 52 2.231 3.882 6.069 1.00 0.00 O ATOM 757 CB ASN A 52 0.498 6.470 6.284 1.00 0.00 C ATOM 758 CG ASN A 52 -0.082 7.837 5.975 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.541 8.863 6.247 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.281 7.856 5.404 1.00 0.00 N ATOM 0 H ASN A 52 0.781 4.342 4.162 1.00 0.00 H new ATOM 0 HA ASN A 52 2.024 6.873 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.311 5.744 6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.994 6.499 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.722 8.746 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.761 6.980 5.196 1.00 0.00 H new ATOM 767 N LEU A 53 3.707 5.580 6.120 1.00 0.00 N ATOM 768 CA LEU A 53 4.771 4.781 6.718 1.00 0.00 C ATOM 769 C LEU A 53 4.695 4.826 8.241 1.00 0.00 C ATOM 770 O LEU A 53 5.012 5.843 8.858 1.00 0.00 O ATOM 771 CB LEU A 53 6.137 5.284 6.250 1.00 0.00 C ATOM 772 CG LEU A 53 7.345 4.459 6.695 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.244 3.037 6.166 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.638 5.112 6.229 1.00 0.00 C ATOM 0 H LEU A 53 3.960 6.552 5.940 1.00 0.00 H new ATOM 0 HA LEU A 53 4.641 3.748 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.133 5.326 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.268 6.305 6.608 1.00 0.00 H new ATOM 0 HG LEU A 53 7.353 4.420 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.112 2.465 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.337 2.570 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.211 3.056 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.487 4.511 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.639 5.182 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.716 6.112 6.657 1.00 0.00 H new ATOM 786 N ILE A 54 4.275 3.717 8.840 1.00 0.00 N ATOM 787 CA ILE A 54 4.161 3.629 10.290 1.00 0.00 C ATOM 788 C ILE A 54 5.368 2.920 10.895 1.00 0.00 C ATOM 789 O ILE A 54 5.752 3.188 12.033 1.00 0.00 O ATOM 790 CB ILE A 54 2.879 2.885 10.710 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.788 1.536 9.992 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.652 3.733 10.413 1.00 0.00 C ATOM 793 CD1 ILE A 54 2.088 1.611 8.653 1.00 0.00 C ATOM 0 H ILE A 54 4.008 2.867 8.343 1.00 0.00 H new ATOM 0 HA ILE A 54 4.118 4.651 10.665 1.00 0.00 H new ATOM 0 HB ILE A 54 2.918 2.702 11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.794 1.143 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.259 0.829 10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.755 3.193 10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.715 4.670 10.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.606 3.944 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.060 0.619 8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.070 1.974 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.629 2.293 7.997 1.00 0.00 H new ATOM 805 N SER A 55 5.963 2.016 10.124 1.00 0.00 N ATOM 806 CA SER A 55 7.127 1.266 10.584 1.00 0.00 C ATOM 807 C SER A 55 8.343 1.563 9.712 1.00 0.00 C ATOM 808 O SER A 55 8.346 1.280 8.513 1.00 0.00 O ATOM 809 CB SER A 55 6.830 -0.234 10.572 1.00 0.00 C ATOM 810 OG SER A 55 7.567 -0.908 11.579 1.00 0.00 O ATOM 0 H SER A 55 5.659 1.785 9.178 1.00 0.00 H new ATOM 0 HA SER A 55 7.349 1.577 11.605 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.763 -0.398 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.079 -0.649 9.595 1.00 0.00 H new ATOM 0 HG SER A 55 7.358 -1.865 11.552 1.00 0.00 H new ATOM 816 N HIS A 56 9.376 2.135 10.323 1.00 0.00 N ATOM 817 CA HIS A 56 10.600 2.470 9.603 1.00 0.00 C ATOM 818 C HIS A 56 11.764 2.660 10.571 1.00 0.00 C ATOM 819 O HIS A 56 11.608 3.189 11.672 1.00 0.00 O ATOM 820 CB HIS A 56 10.398 3.738 8.774 1.00 0.00 C ATOM 821 CG HIS A 56 10.263 4.979 9.602 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.344 5.723 10.026 1.00 0.00 N ATOM 823 CD2 HIS A 56 9.165 5.608 10.082 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.917 6.754 10.732 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.598 6.708 10.781 1.00 0.00 N ATOM 0 H HIS A 56 9.390 2.376 11.314 1.00 0.00 H new ATOM 0 HA HIS A 56 10.838 1.643 8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.241 3.855 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.505 3.622 8.159 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.321 5.510 9.825 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.139 5.302 9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.540 7.507 11.191 1.00 0.00 H new ATOM 834 N PRO A 57 12.960 2.218 10.153 1.00 0.00 N ATOM 835 CA PRO A 57 14.173 2.328 10.968 1.00 0.00 C ATOM 836 C PRO A 57 14.647 3.771 11.110 1.00 0.00 C ATOM 837 O PRO A 57 14.324 4.626 10.285 1.00 0.00 O ATOM 838 CB PRO A 57 15.200 1.503 10.189 1.00 0.00 C ATOM 839 CG PRO A 57 14.720 1.535 8.779 1.00 0.00 C ATOM 840 CD PRO A 57 13.219 1.577 8.853 1.00 0.00 C ATOM 0 HA PRO A 57 14.011 1.980 11.988 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.199 1.929 10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.255 0.482 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.109 2.407 8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.059 0.656 8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.792 2.150 8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.786 0.578 8.804 1.00 0.00 H new ATOM 848 N THR A 58 15.414 4.036 12.163 1.00 0.00 N ATOM 849 CA THR A 58 15.931 5.375 12.414 1.00 0.00 C ATOM 850 C THR A 58 16.817 5.846 11.266 1.00 0.00 C ATOM 851 O THR A 58 16.895 7.041 10.980 1.00 0.00 O ATOM 852 CB THR A 58 16.737 5.430 13.725 1.00 0.00 C ATOM 853 OG1 THR A 58 16.738 6.764 14.245 1.00 0.00 O ATOM 854 CG2 THR A 58 18.169 4.967 13.500 1.00 0.00 C ATOM 0 H THR A 58 15.691 3.340 12.856 1.00 0.00 H new ATOM 0 HA THR A 58 15.068 6.036 12.499 1.00 0.00 H new ATOM 0 HB THR A 58 16.264 4.761 14.444 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.251 6.789 15.079 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.719 5.015 14.440 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.166 3.941 13.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.649 5.614 12.766 1.00 0.00 H new ATOM 862 N ASP A 59 17.483 4.901 10.613 1.00 0.00 N ATOM 863 CA ASP A 59 18.363 5.219 9.494 1.00 0.00 C ATOM 864 C ASP A 59 17.579 5.855 8.350 1.00 0.00 C ATOM 865 O ASP A 59 18.126 6.627 7.563 1.00 0.00 O ATOM 866 CB ASP A 59 19.074 3.958 9.002 1.00 0.00 C ATOM 867 CG ASP A 59 20.283 3.608 9.848 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.114 3.405 11.068 1.00 0.00 O ATOM 869 OD2 ASP A 59 21.398 3.538 9.290 1.00 0.00 O ATOM 0 H ASP A 59 17.431 3.908 10.839 1.00 0.00 H new ATOM 0 HA ASP A 59 19.108 5.934 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.374 3.123 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.387 4.101 7.968 1.00 0.00 H new ATOM 874 N TYR A 60 16.295 5.524 8.264 1.00 0.00 N ATOM 875 CA TYR A 60 15.436 6.060 7.214 1.00 0.00 C ATOM 876 C TYR A 60 14.652 7.268 7.716 1.00 0.00 C ATOM 877 O TYR A 60 14.112 7.256 8.821 1.00 0.00 O ATOM 878 CB TYR A 60 14.471 4.982 6.717 1.00 0.00 C ATOM 879 CG TYR A 60 13.966 5.224 5.312 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.706 4.822 4.208 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.748 5.855 5.090 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.249 5.041 2.923 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.282 6.077 3.809 1.00 0.00 C ATOM 884 CZ TYR A 60 13.036 5.669 2.728 1.00 0.00 C ATOM 885 OH TYR A 60 12.576 5.890 1.450 1.00 0.00 O ATOM 0 H TYR A 60 15.826 4.887 8.908 1.00 0.00 H new ATOM 0 HA TYR A 60 16.071 6.380 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.971 4.014 6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.620 4.927 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.656 4.329 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.156 6.177 5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.838 4.722 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.332 6.567 3.654 1.00 0.00 H new ATOM 0 HH TYR A 60 11.707 6.341 1.489 1.00 0.00 H new ATOM 934 N ILE A 64 7.506 9.566 1.416 1.00 0.00 N ATOM 935 CA ILE A 64 6.565 8.881 0.539 1.00 0.00 C ATOM 936 C ILE A 64 5.389 9.784 0.182 1.00 0.00 C ATOM 937 O ILE A 64 4.911 10.557 1.013 1.00 0.00 O ATOM 938 CB ILE A 64 6.030 7.590 1.186 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.188 6.737 1.708 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.195 6.804 0.186 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.741 5.562 2.550 1.00 0.00 C ATOM 0 HA ILE A 64 7.110 8.623 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 64 5.394 7.860 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.767 6.368 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.854 7.365 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.824 5.894 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.352 7.412 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.810 6.541 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.614 5.002 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.187 5.925 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.099 4.912 1.956 1.00 0.00 H new ATOM 953 N LYS A 65 4.924 9.678 -1.058 1.00 0.00 N ATOM 954 CA LYS A 65 3.801 10.482 -1.525 1.00 0.00 C ATOM 955 C LYS A 65 2.473 9.828 -1.157 1.00 0.00 C ATOM 956 O LYS A 65 1.466 10.022 -1.837 1.00 0.00 O ATOM 957 CB LYS A 65 3.882 10.676 -3.041 1.00 0.00 C ATOM 958 CG LYS A 65 4.934 11.685 -3.470 1.00 0.00 C ATOM 959 CD LYS A 65 4.467 13.111 -3.236 1.00 0.00 C ATOM 960 CE LYS A 65 3.561 13.592 -4.360 1.00 0.00 C ATOM 961 NZ LYS A 65 4.334 13.949 -5.582 1.00 0.00 N ATOM 0 H LYS A 65 5.308 9.043 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 65 3.855 11.455 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.098 9.716 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.909 10.999 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.856 11.508 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.164 11.545 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.934 13.169 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.332 13.770 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.838 12.813 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.994 14.460 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.698 14.382 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.085 14.624 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.760 13.091 -5.987 1.00 0.00 H new ATOM 975 N GLN A 66 2.480 9.055 -0.076 1.00 0.00 N ATOM 976 CA GLN A 66 1.275 8.373 0.383 1.00 0.00 C ATOM 977 C GLN A 66 0.542 7.720 -0.784 1.00 0.00 C ATOM 978 O GLN A 66 -0.668 7.502 -0.726 1.00 0.00 O ATOM 979 CB GLN A 66 0.347 9.358 1.096 1.00 0.00 C ATOM 980 CG GLN A 66 0.984 10.029 2.302 1.00 0.00 C ATOM 981 CD GLN A 66 0.446 11.426 2.544 1.00 0.00 C ATOM 982 OE1 GLN A 66 1.045 12.416 2.121 1.00 0.00 O ATOM 983 NE2 GLN A 66 -0.689 11.514 3.227 1.00 0.00 N ATOM 0 H GLN A 66 3.306 8.885 0.498 1.00 0.00 H new ATOM 0 HA GLN A 66 1.573 7.593 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.032 10.125 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.552 8.831 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.809 9.418 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.063 10.079 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.152 10.668 3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.098 12.428 3.420 1.00 0.00 H new ATOM 992 N GLY A 67 1.283 7.409 -1.843 1.00 0.00 N ATOM 993 CA GLY A 67 0.686 6.784 -3.009 1.00 0.00 C ATOM 994 C GLY A 67 -0.746 7.226 -3.235 1.00 0.00 C ATOM 995 O GLY A 67 -1.687 6.510 -2.890 1.00 0.00 O ATOM 0 H GLY A 67 2.286 7.579 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.280 7.024 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.714 5.701 -2.891 1.00 0.00 H new ATOM 999 N HIS A 68 -0.913 8.411 -3.814 1.00 0.00 N ATOM 1000 CA HIS A 68 -2.242 8.949 -4.084 1.00 0.00 C ATOM 1001 C HIS A 68 -3.047 7.994 -4.960 1.00 0.00 C ATOM 1002 O HIS A 68 -4.256 8.156 -5.126 1.00 0.00 O ATOM 1003 CB HIS A 68 -2.133 10.315 -4.764 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.927 11.446 -3.805 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.327 11.289 -2.573 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -2.241 12.759 -3.904 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -1.284 12.456 -1.955 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.832 13.365 -2.741 1.00 0.00 N ATOM 0 H HIS A 68 -0.145 9.017 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.761 9.065 -3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.304 10.294 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.040 10.498 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.723 13.241 -4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.871 12.636 -0.974 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.935 14.356 -2.520 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.368 6.999 -5.521 1.00 0.00 N ATOM 1018 CA LYS A 69 -3.019 6.017 -6.380 1.00 0.00 C ATOM 1019 C LYS A 69 -3.149 4.673 -5.669 1.00 0.00 C ATOM 1020 O LYS A 69 -2.817 4.551 -4.490 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.230 5.843 -7.680 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.624 6.830 -8.766 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.453 7.149 -9.680 1.00 0.00 C ATOM 1024 CE LYS A 69 -0.640 8.322 -9.155 1.00 0.00 C ATOM 1025 NZ LYS A 69 0.333 7.900 -8.111 1.00 0.00 N ATOM 0 H LYS A 69 -1.366 6.851 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.019 6.383 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.167 5.954 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.377 4.829 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.444 6.418 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.991 7.749 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.812 6.272 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.822 7.379 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.106 8.792 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.312 9.074 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.107 8.593 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.148 7.845 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.721 6.966 -8.355 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.632 3.670 -6.394 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.804 2.335 -5.831 1.00 0.00 C ATOM 1041 C GLN A 70 -2.470 1.600 -5.756 1.00 0.00 C ATOM 1042 O GLN A 70 -2.367 0.540 -5.137 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.798 1.530 -6.670 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.959 0.091 -6.207 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.954 -0.685 -7.047 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -7.033 -0.187 -7.371 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.596 -1.912 -7.406 1.00 0.00 N ATOM 0 H GLN A 70 -3.911 3.755 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.196 2.442 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.769 2.023 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.470 1.534 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.991 -0.409 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.283 0.082 -5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.692 -2.285 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.225 -2.481 -7.972 1.00 0.00 H new ATOM 1056 N THR A 71 -1.450 2.169 -6.391 1.00 0.00 N ATOM 1057 CA THR A 71 -0.123 1.566 -6.397 1.00 0.00 C ATOM 1058 C THR A 71 0.928 2.545 -5.884 1.00 0.00 C ATOM 1059 O THR A 71 0.959 3.707 -6.292 1.00 0.00 O ATOM 1060 CB THR A 71 0.275 1.098 -7.810 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.275 1.983 -8.792 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.213 -0.320 -8.067 1.00 0.00 C ATOM 0 H THR A 71 -1.518 3.046 -6.907 1.00 0.00 H new ATOM 0 HA THR A 71 -0.166 0.702 -5.734 1.00 0.00 H new ATOM 0 HB THR A 71 1.363 1.109 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.016 1.680 -9.687 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.079 -0.629 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.230 -0.996 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.299 -0.353 -7.979 1.00 0.00 H new ATOM 1070 N LEU A 72 1.786 2.069 -4.989 1.00 0.00 N ATOM 1071 CA LEU A 72 2.840 2.903 -4.421 1.00 0.00 C ATOM 1072 C LEU A 72 4.218 2.385 -4.819 1.00 0.00 C ATOM 1073 O LEU A 72 4.564 1.237 -4.543 1.00 0.00 O ATOM 1074 CB LEU A 72 2.718 2.944 -2.897 1.00 0.00 C ATOM 1075 CG LEU A 72 3.875 3.608 -2.149 1.00 0.00 C ATOM 1076 CD1 LEU A 72 4.046 5.050 -2.602 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.645 3.544 -0.646 1.00 0.00 C ATOM 0 H LEU A 72 1.773 1.110 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 72 2.724 3.912 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.797 3.468 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.615 1.922 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 72 4.791 3.065 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.874 5.506 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.257 5.073 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.130 5.606 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.478 4.021 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.719 4.062 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.573 2.502 -0.333 1.00 0.00 H new ATOM 1089 N ASN A 73 5.002 3.241 -5.467 1.00 0.00 N ATOM 1090 CA ASN A 73 6.344 2.870 -5.901 1.00 0.00 C ATOM 1091 C ASN A 73 7.400 3.475 -4.981 1.00 0.00 C ATOM 1092 O ASN A 73 7.360 4.667 -4.672 1.00 0.00 O ATOM 1093 CB ASN A 73 6.582 3.330 -7.341 1.00 0.00 C ATOM 1094 CG ASN A 73 5.298 3.397 -8.146 1.00 0.00 C ATOM 1095 OD1 ASN A 73 4.930 4.453 -8.661 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.610 2.267 -8.257 1.00 0.00 N ATOM 0 H ASN A 73 4.731 4.196 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 73 6.427 1.784 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.054 4.312 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.278 2.646 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.738 2.251 -8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.953 1.415 -7.813 1.00 0.00 H new ATOM 1103 N LEU A 74 8.343 2.647 -4.548 1.00 0.00 N ATOM 1104 CA LEU A 74 9.411 3.099 -3.663 1.00 0.00 C ATOM 1105 C LEU A 74 10.768 3.002 -4.353 1.00 0.00 C ATOM 1106 O LEU A 74 10.942 2.229 -5.296 1.00 0.00 O ATOM 1107 CB LEU A 74 9.420 2.271 -2.377 1.00 0.00 C ATOM 1108 CG LEU A 74 8.522 2.776 -1.247 1.00 0.00 C ATOM 1109 CD1 LEU A 74 8.866 4.215 -0.893 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.056 2.658 -1.639 1.00 0.00 C ATOM 0 H LEU A 74 8.390 1.659 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 74 9.224 4.144 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.122 1.252 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.444 2.223 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 74 8.695 2.156 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.216 4.557 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.906 4.272 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.723 4.849 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.431 3.022 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.869 3.253 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.817 1.614 -1.842 1.00 0.00 H new ATOM 1122 N SER A 75 11.727 3.789 -3.877 1.00 0.00 N ATOM 1123 CA SER A 75 13.068 3.793 -4.449 1.00 0.00 C ATOM 1124 C SER A 75 14.114 4.100 -3.381 1.00 0.00 C ATOM 1125 O SER A 75 13.779 4.510 -2.270 1.00 0.00 O ATOM 1126 CB SER A 75 13.160 4.820 -5.579 1.00 0.00 C ATOM 1127 OG SER A 75 12.157 4.597 -6.554 1.00 0.00 O ATOM 0 H SER A 75 11.600 4.433 -3.096 1.00 0.00 H new ATOM 0 HA SER A 75 13.267 2.800 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.057 5.825 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.144 4.765 -6.045 1.00 0.00 H new ATOM 0 HG SER A 75 12.237 5.267 -7.264 1.00 0.00 H new ATOM 1133 N GLN A 76 15.381 3.897 -3.727 1.00 0.00 N ATOM 1134 CA GLN A 76 16.476 4.151 -2.798 1.00 0.00 C ATOM 1135 C GLN A 76 16.147 3.614 -1.409 1.00 0.00 C ATOM 1136 O GLN A 76 16.596 4.158 -0.399 1.00 0.00 O ATOM 1137 CB GLN A 76 16.770 5.650 -2.722 1.00 0.00 C ATOM 1138 CG GLN A 76 17.078 6.279 -4.071 1.00 0.00 C ATOM 1139 CD GLN A 76 17.885 7.556 -3.949 1.00 0.00 C ATOM 1140 OE1 GLN A 76 18.685 7.713 -3.026 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.679 8.478 -4.883 1.00 0.00 N ATOM 0 H GLN A 76 15.675 3.558 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 76 17.361 3.633 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.912 6.158 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.615 5.813 -2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.627 5.564 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.143 6.492 -4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.006 8.306 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.194 9.358 -4.853 1.00 0.00 H new ATOM 1150 N LEU A 77 15.360 2.544 -1.365 1.00 0.00 N ATOM 1151 CA LEU A 77 14.970 1.933 -0.099 1.00 0.00 C ATOM 1152 C LEU A 77 16.169 1.279 0.582 1.00 0.00 C ATOM 1153 O LEU A 77 16.568 0.170 0.227 1.00 0.00 O ATOM 1154 CB LEU A 77 13.870 0.895 -0.328 1.00 0.00 C ATOM 1155 CG LEU A 77 12.457 1.446 -0.518 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.524 0.359 -1.029 1.00 0.00 C ATOM 1157 CD2 LEU A 77 11.933 2.033 0.785 1.00 0.00 C ATOM 0 H LEU A 77 14.980 2.082 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 77 14.589 2.719 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.131 0.307 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.861 0.211 0.521 1.00 0.00 H new ATOM 0 HG LEU A 77 12.495 2.242 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.523 0.770 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.889 -0.014 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.490 -0.459 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.926 2.420 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.910 1.257 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.587 2.842 1.109 1.00 0.00 H new ATOM 1169 N SER A 78 16.736 1.973 1.563 1.00 0.00 N ATOM 1170 CA SER A 78 17.890 1.460 2.293 1.00 0.00 C ATOM 1171 C SER A 78 17.573 0.112 2.933 1.00 0.00 C ATOM 1172 O SER A 78 16.419 -0.317 2.966 1.00 0.00 O ATOM 1173 CB SER A 78 18.324 2.458 3.369 1.00 0.00 C ATOM 1174 OG SER A 78 17.419 2.457 4.460 1.00 0.00 O ATOM 0 H SER A 78 16.416 2.891 1.871 1.00 0.00 H new ATOM 0 HA SER A 78 18.706 1.323 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.324 2.205 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.380 3.458 2.940 1.00 0.00 H new ATOM 0 HG SER A 78 16.509 2.304 4.130 1.00 0.00 H new ATOM 1180 N VAL A 79 18.606 -0.553 3.440 1.00 0.00 N ATOM 1181 CA VAL A 79 18.440 -1.853 4.079 1.00 0.00 C ATOM 1182 C VAL A 79 17.699 -1.722 5.405 1.00 0.00 C ATOM 1183 O VAL A 79 18.278 -1.325 6.415 1.00 0.00 O ATOM 1184 CB VAL A 79 19.798 -2.534 4.328 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.605 -3.872 5.026 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.554 -2.710 3.020 1.00 0.00 C ATOM 0 H VAL A 79 19.567 -0.213 3.421 1.00 0.00 H new ATOM 0 HA VAL A 79 17.854 -2.468 3.397 1.00 0.00 H new ATOM 0 HB VAL A 79 20.391 -1.893 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.576 -4.338 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.108 -3.715 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.993 -4.523 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.511 -3.193 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.967 -3.329 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.726 -1.735 2.565 1.00 0.00 H new ATOM 1196 N GLY A 80 16.412 -2.059 5.394 1.00 0.00 N ATOM 1197 CA GLY A 80 15.612 -1.973 6.602 1.00 0.00 C ATOM 1198 C GLY A 80 14.175 -2.397 6.376 1.00 0.00 C ATOM 1199 O GLY A 80 13.774 -2.686 5.247 1.00 0.00 O ATOM 0 H GLY A 80 15.910 -2.390 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.056 -2.602 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.631 -0.949 6.975 1.00 0.00 H new ATOM 1203 N LEU A 81 13.396 -2.437 7.451 1.00 0.00 N ATOM 1204 CA LEU A 81 11.994 -2.831 7.366 1.00 0.00 C ATOM 1205 C LEU A 81 11.102 -1.618 7.118 1.00 0.00 C ATOM 1206 O LEU A 81 11.276 -0.569 7.738 1.00 0.00 O ATOM 1207 CB LEU A 81 11.564 -3.539 8.652 1.00 0.00 C ATOM 1208 CG LEU A 81 10.166 -4.159 8.642 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.957 -4.983 7.380 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.953 -5.016 9.881 1.00 0.00 C ATOM 0 H LEU A 81 13.711 -2.201 8.392 1.00 0.00 H new ATOM 0 HA LEU A 81 11.885 -3.518 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.287 -4.325 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.616 -2.823 9.472 1.00 0.00 H new ATOM 0 HG LEU A 81 9.432 -3.353 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.957 -5.417 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.066 -4.342 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.698 -5.781 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.953 -5.449 9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.694 -5.815 9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.059 -4.399 10.773 1.00 0.00 H new ATOM 1222 N TYR A 82 10.145 -1.771 6.209 1.00 0.00 N ATOM 1223 CA TYR A 82 9.225 -0.689 5.879 1.00 0.00 C ATOM 1224 C TYR A 82 7.794 -1.205 5.769 1.00 0.00 C ATOM 1225 O TYR A 82 7.472 -1.996 4.882 1.00 0.00 O ATOM 1226 CB TYR A 82 9.640 -0.022 4.566 1.00 0.00 C ATOM 1227 CG TYR A 82 11.089 0.409 4.538 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.520 1.515 5.259 1.00 0.00 C ATOM 1229 CD2 TYR A 82 12.028 -0.291 3.790 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.843 1.913 5.235 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.353 0.098 3.761 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.755 1.201 4.485 1.00 0.00 C ATOM 1233 OH TYR A 82 15.074 1.593 4.460 1.00 0.00 O ATOM 0 H TYR A 82 9.986 -2.633 5.688 1.00 0.00 H new ATOM 0 HA TYR A 82 9.266 0.047 6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.459 -0.714 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.007 0.849 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.809 2.074 5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.716 -1.155 3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.161 2.777 5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.070 -0.458 3.175 1.00 0.00 H new ATOM 0 HH TYR A 82 15.639 0.826 4.231 1.00 0.00 H new ATOM 1243 N VAL A 83 6.937 -0.750 6.678 1.00 0.00 N ATOM 1244 CA VAL A 83 5.538 -1.164 6.684 1.00 0.00 C ATOM 1245 C VAL A 83 4.629 -0.031 6.221 1.00 0.00 C ATOM 1246 O VAL A 83 4.545 1.015 6.863 1.00 0.00 O ATOM 1247 CB VAL A 83 5.095 -1.622 8.086 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.603 -1.918 8.104 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.894 -2.839 8.526 1.00 0.00 C ATOM 0 H VAL A 83 7.186 -0.095 7.419 1.00 0.00 H new ATOM 0 HA VAL A 83 5.452 -2.002 5.992 1.00 0.00 H new ATOM 0 HB VAL A 83 5.289 -0.814 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.308 -2.240 9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.050 -1.018 7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.380 -2.708 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.568 -3.149 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.734 -3.654 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.954 -2.587 8.555 1.00 0.00 H new ATOM 1259 N PHE A 84 3.948 -0.248 5.100 1.00 0.00 N ATOM 1260 CA PHE A 84 3.044 0.754 4.549 1.00 0.00 C ATOM 1261 C PHE A 84 1.589 0.327 4.719 1.00 0.00 C ATOM 1262 O PHE A 84 1.218 -0.801 4.394 1.00 0.00 O ATOM 1263 CB PHE A 84 3.348 0.987 3.068 1.00 0.00 C ATOM 1264 CG PHE A 84 4.816 0.980 2.749 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.469 -0.206 2.456 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.543 2.160 2.744 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.820 -0.216 2.163 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.894 2.156 2.451 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.533 0.967 2.161 1.00 0.00 C ATOM 0 H PHE A 84 4.005 -1.109 4.556 1.00 0.00 H new ATOM 0 HA PHE A 84 3.198 1.684 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.852 0.216 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.923 1.944 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.916 -1.134 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.049 3.093 2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.317 -1.147 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.449 3.082 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.589 0.962 1.933 1.00 0.00 H new ATOM 1279 N LYS A 85 0.767 1.236 5.233 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.647 0.956 5.447 1.00 0.00 C ATOM 1281 C LYS A 85 -1.515 1.798 4.517 1.00 0.00 C ATOM 1282 O LYS A 85 -1.580 3.020 4.648 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.028 1.231 6.904 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.527 1.321 7.134 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.846 1.823 8.532 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.960 3.339 8.568 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.353 3.797 8.313 1.00 0.00 N ATOM 0 H LYS A 85 1.057 2.174 5.509 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.821 -0.097 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.619 0.440 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.563 2.164 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.970 1.990 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.978 0.340 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.780 1.379 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.067 1.499 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.630 3.705 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.293 3.771 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.505 4.718 8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.505 3.892 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.023 3.102 8.700 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.183 1.135 3.577 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.049 1.822 2.627 1.00 0.00 C ATOM 1303 C VAL A 86 -4.471 1.939 3.165 1.00 0.00 C ATOM 1304 O VAL A 86 -5.206 0.953 3.231 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.084 1.093 1.270 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.263 -0.404 1.473 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.189 1.657 0.391 1.00 0.00 C ATOM 0 H VAL A 86 -2.140 0.123 3.454 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.634 2.820 2.485 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.132 1.255 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.285 -0.902 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.433 -0.793 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.199 -0.590 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.199 1.131 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.151 1.527 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.010 2.718 0.218 1.00 0.00 H new ATOM 1317 N THR A 87 -4.855 3.153 3.548 1.00 0.00 N ATOM 1318 CA THR A 87 -6.189 3.400 4.081 1.00 0.00 C ATOM 1319 C THR A 87 -7.143 3.858 2.983 1.00 0.00 C ATOM 1320 O THR A 87 -7.149 5.028 2.600 1.00 0.00 O ATOM 1321 CB THR A 87 -6.161 4.461 5.197 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.916 4.398 5.901 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.311 4.254 6.170 1.00 0.00 C ATOM 0 H THR A 87 -4.261 3.981 3.499 1.00 0.00 H new ATOM 0 HA THR A 87 -6.543 2.457 4.497 1.00 0.00 H new ATOM 0 HB THR A 87 -6.269 5.443 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.670 5.294 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.270 5.015 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.258 4.332 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.231 3.266 6.624 1.00 0.00 H new ATOM 1331 N VAL A 88 -7.950 2.928 2.481 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.911 3.237 1.429 1.00 0.00 C ATOM 1333 C VAL A 88 -10.336 3.246 1.970 1.00 0.00 C ATOM 1334 O VAL A 88 -10.906 2.195 2.264 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.819 2.226 0.271 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -9.878 2.520 -0.780 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.428 2.243 -0.343 1.00 0.00 C ATOM 0 H VAL A 88 -7.957 1.955 2.786 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.662 4.230 1.055 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.003 1.228 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.797 1.795 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.868 2.451 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.729 3.525 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.382 1.522 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.212 3.240 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.692 1.979 0.416 1.00 0.00 H new ATOM 1347 N SER A 89 -10.906 4.440 2.100 1.00 0.00 N ATOM 1348 CA SER A 89 -12.265 4.586 2.610 1.00 0.00 C ATOM 1349 C SER A 89 -13.045 5.609 1.790 1.00 0.00 C ATOM 1350 O SER A 89 -12.480 6.581 1.289 1.00 0.00 O ATOM 1351 CB SER A 89 -12.237 5.008 4.080 1.00 0.00 C ATOM 1352 OG SER A 89 -11.546 6.233 4.247 1.00 0.00 O ATOM 0 H SER A 89 -10.449 5.319 1.860 1.00 0.00 H new ATOM 0 HA SER A 89 -12.765 3.621 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.257 5.109 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.756 4.232 4.675 1.00 0.00 H new ATOM 0 HG SER A 89 -11.544 6.481 5.195 1.00 0.00 H new ATOM 1358 N SER A 90 -14.348 5.382 1.658 1.00 0.00 N ATOM 1359 CA SER A 90 -15.207 6.280 0.896 1.00 0.00 C ATOM 1360 C SER A 90 -16.284 6.890 1.788 1.00 0.00 C ATOM 1361 O SER A 90 -16.381 6.564 2.971 1.00 0.00 O ATOM 1362 CB SER A 90 -15.858 5.532 -0.270 1.00 0.00 C ATOM 1363 OG SER A 90 -14.997 5.493 -1.395 1.00 0.00 O ATOM 0 H SER A 90 -14.832 4.584 2.069 1.00 0.00 H new ATOM 0 HA SER A 90 -14.588 7.085 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.105 4.516 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.794 6.019 -0.541 1.00 0.00 H new ATOM 0 HG SER A 90 -15.520 5.629 -2.212 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.090 7.776 1.212 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.159 8.432 1.956 1.00 0.00 C ATOM 1371 C GLU A 91 -18.934 7.422 2.798 1.00 0.00 C ATOM 1372 O GLU A 91 -19.090 7.596 4.006 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.111 9.150 0.997 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.126 10.037 1.698 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.163 10.602 0.746 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.751 9.815 -0.025 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -21.386 11.831 0.772 1.00 0.00 O ATOM 0 H GLU A 91 -17.023 8.056 0.233 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.706 9.165 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.527 9.757 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.641 8.407 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -20.628 9.463 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.606 10.858 2.192 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.419 6.368 2.150 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.179 5.331 2.839 1.00 0.00 C ATOM 1386 C ASN A 92 -19.445 3.994 2.788 1.00 0.00 C ATOM 1387 O ASN A 92 -20.054 2.948 2.571 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.567 5.187 2.213 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.483 4.302 3.036 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.905 3.236 2.586 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.796 4.740 4.250 1.00 0.00 N ATOM 0 H ASN A 92 -19.300 6.209 1.150 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.287 5.627 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.019 6.173 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.469 4.771 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -23.409 4.187 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.424 5.629 4.583 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.132 4.038 2.991 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.315 2.831 2.971 1.00 0.00 C ATOM 1400 C ALA A 93 -15.971 3.067 3.652 1.00 0.00 C ATOM 1401 O ALA A 93 -15.543 4.208 3.825 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.109 2.357 1.540 1.00 0.00 C ATOM 0 H ALA A 93 -17.612 4.897 3.171 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.842 2.055 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.497 1.455 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.076 2.140 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.606 3.136 0.967 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.309 1.980 4.036 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.014 2.069 4.700 1.00 0.00 C ATOM 1410 C PHE A 94 -13.231 0.769 4.540 1.00 0.00 C ATOM 1411 O PHE A 94 -13.802 -0.320 4.570 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.198 2.388 6.185 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.904 2.528 6.933 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.269 3.756 7.022 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.321 1.431 7.547 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -11.078 3.889 7.710 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.130 1.558 8.237 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.507 2.788 8.318 1.00 0.00 C ATOM 0 H PHE A 94 -15.648 1.028 3.899 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.448 2.874 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.766 3.313 6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.792 1.599 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.710 4.620 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.802 0.466 7.486 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.594 4.853 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.687 0.696 8.713 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.576 2.889 8.855 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.918 0.893 4.371 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.077 -0.279 4.208 1.00 0.00 C ATOM 1430 C GLY A 95 -9.604 0.070 4.128 1.00 0.00 C ATOM 1431 O GLY A 95 -9.201 0.899 3.312 1.00 0.00 O ATOM 0 H GLY A 95 -11.422 1.784 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.241 -0.959 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.371 -0.810 3.303 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.800 -0.561 4.977 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.364 -0.310 5.000 1.00 0.00 C ATOM 1437 C GLU A 96 -6.585 -1.614 5.139 1.00 0.00 C ATOM 1438 O GLU A 96 -6.994 -2.520 5.865 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.007 0.636 6.149 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.417 0.114 7.516 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.535 0.642 8.630 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.492 0.016 8.910 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.889 1.684 9.222 1.00 0.00 O ATOM 0 H GLU A 96 -9.119 -1.250 5.658 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.088 0.158 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.931 0.811 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.487 1.599 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.452 0.395 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.378 -0.975 7.512 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.460 -1.703 4.437 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.641 -2.900 4.495 1.00 0.00 C ATOM 1452 C GLY A 97 -3.294 -2.651 5.145 1.00 0.00 C ATOM 1453 O GLY A 97 -3.053 -1.578 5.698 1.00 0.00 O ATOM 0 H GLY A 97 -5.101 -0.967 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.172 -3.673 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.489 -3.281 3.485 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.415 -3.644 5.079 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.085 -3.529 5.668 1.00 0.00 C ATOM 1459 C PHE A 98 -0.082 -4.402 4.920 1.00 0.00 C ATOM 1460 O PHE A 98 -0.273 -5.610 4.784 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.122 -3.925 7.145 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.807 -2.914 8.020 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.179 -2.960 8.212 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.079 -1.919 8.651 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.811 -2.031 9.016 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.706 -0.987 9.457 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.074 -1.044 9.640 1.00 0.00 C ATOM 0 H PHE A 98 -2.599 -4.538 4.624 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.767 -2.490 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.632 -4.883 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.102 -4.069 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.760 -3.731 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.009 -1.871 8.512 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.881 -2.077 9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.127 -0.215 9.943 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.566 -0.318 10.270 1.00 0.00 H new ATOM 1477 N VAL A 99 0.989 -3.780 4.437 1.00 0.00 N ATOM 1478 CA VAL A 99 2.024 -4.499 3.704 1.00 0.00 C ATOM 1479 C VAL A 99 3.414 -4.005 4.088 1.00 0.00 C ATOM 1480 O VAL A 99 3.642 -2.803 4.221 1.00 0.00 O ATOM 1481 CB VAL A 99 1.841 -4.349 2.182 1.00 0.00 C ATOM 1482 CG1 VAL A 99 1.753 -2.880 1.797 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.976 -5.037 1.438 1.00 0.00 C ATOM 0 H VAL A 99 1.162 -2.780 4.540 1.00 0.00 H new ATOM 0 HA VAL A 99 1.928 -5.551 3.973 1.00 0.00 H new ATOM 0 HB VAL A 99 0.906 -4.831 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.624 -2.794 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.903 -2.422 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.669 -2.370 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.830 -4.921 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.926 -4.586 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.986 -6.097 1.690 1.00 0.00 H new ATOM 1493 N ASN A 100 4.341 -4.941 4.265 1.00 0.00 N ATOM 1494 CA ASN A 100 5.710 -4.601 4.634 1.00 0.00 C ATOM 1495 C ASN A 100 6.687 -5.001 3.532 1.00 0.00 C ATOM 1496 O ASN A 100 6.417 -5.911 2.749 1.00 0.00 O ATOM 1497 CB ASN A 100 6.093 -5.290 5.945 1.00 0.00 C ATOM 1498 CG ASN A 100 6.563 -6.717 5.733 1.00 0.00 C ATOM 1499 OD1 ASN A 100 6.225 -7.351 4.733 1.00 0.00 O ATOM 1500 ND2 ASN A 100 7.346 -7.228 6.675 1.00 0.00 N ATOM 0 H ASN A 100 4.169 -5.941 4.159 1.00 0.00 H new ATOM 0 HA ASN A 100 5.765 -3.521 4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.882 -4.720 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.235 -5.289 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.693 -8.183 6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.601 -6.666 7.487 1.00 0.00 H new ATOM 1507 N VAL A 101 7.823 -4.313 3.478 1.00 0.00 N ATOM 1508 CA VAL A 101 8.841 -4.598 2.474 1.00 0.00 C ATOM 1509 C VAL A 101 10.239 -4.554 3.080 1.00 0.00 C ATOM 1510 O VAL A 101 10.710 -3.500 3.510 1.00 0.00 O ATOM 1511 CB VAL A 101 8.770 -3.598 1.304 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.954 -3.786 0.368 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.456 -3.751 0.552 1.00 0.00 C ATOM 0 H VAL A 101 8.061 -3.555 4.117 1.00 0.00 H new ATOM 0 HA VAL A 101 8.642 -5.602 2.098 1.00 0.00 H new ATOM 0 HB VAL A 101 8.815 -2.587 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.887 -3.071 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.881 -3.622 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.944 -4.800 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.423 -3.037 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.379 -4.764 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.624 -3.562 1.231 1.00 0.00 H new ATOM 1523 N THR A 102 10.901 -5.707 3.112 1.00 0.00 N ATOM 1524 CA THR A 102 12.245 -5.801 3.666 1.00 0.00 C ATOM 1525 C THR A 102 13.301 -5.646 2.578 1.00 0.00 C ATOM 1526 O THR A 102 13.164 -6.192 1.483 1.00 0.00 O ATOM 1527 CB THR A 102 12.462 -7.145 4.388 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.637 -7.212 5.557 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.922 -7.318 4.781 1.00 0.00 C ATOM 0 H THR A 102 10.527 -6.589 2.760 1.00 0.00 H new ATOM 0 HA THR A 102 12.347 -4.989 4.386 1.00 0.00 H new ATOM 0 HB THR A 102 12.188 -7.948 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.779 -8.070 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.051 -8.274 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.545 -7.295 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.217 -6.509 5.449 1.00 0.00 H new ATOM 1537 N VAL A 103 14.357 -4.899 2.886 1.00 0.00 N ATOM 1538 CA VAL A 103 15.438 -4.673 1.933 1.00 0.00 C ATOM 1539 C VAL A 103 16.724 -5.350 2.393 1.00 0.00 C ATOM 1540 O VAL A 103 17.386 -4.885 3.321 1.00 0.00 O ATOM 1541 CB VAL A 103 15.704 -3.170 1.733 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.911 -2.957 0.832 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.474 -2.482 1.161 1.00 0.00 C ATOM 0 H VAL A 103 14.487 -4.440 3.788 1.00 0.00 H new ATOM 0 HA VAL A 103 15.121 -5.107 0.984 1.00 0.00 H new ATOM 0 HB VAL A 103 15.922 -2.725 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.084 -1.889 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.790 -3.414 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.725 -3.415 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.681 -1.420 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.222 -2.928 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.636 -2.604 1.848 1.00 0.00 H new ATOM 1553 N LYS A 104 17.074 -6.450 1.736 1.00 0.00 N ATOM 1554 CA LYS A 104 18.283 -7.192 2.074 1.00 0.00 C ATOM 1555 C LYS A 104 19.496 -6.616 1.350 1.00 0.00 C ATOM 1556 O LYS A 104 19.387 -6.045 0.264 1.00 0.00 O ATOM 1557 CB LYS A 104 18.117 -8.670 1.716 1.00 0.00 C ATOM 1558 CG LYS A 104 16.978 -9.351 2.455 1.00 0.00 C ATOM 1559 CD LYS A 104 17.447 -9.957 3.767 1.00 0.00 C ATOM 1560 CE LYS A 104 16.343 -9.945 4.813 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.368 -8.701 5.631 1.00 0.00 N ATOM 0 H LYS A 104 16.537 -6.848 0.965 1.00 0.00 H new ATOM 0 HA LYS A 104 18.446 -7.101 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.947 -8.758 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.047 -9.195 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.186 -8.628 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.550 -10.131 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.778 -10.982 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.308 -9.401 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.375 -10.036 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.452 -10.811 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.570 -8.708 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.262 -8.652 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.290 -7.873 5.006 1.00 0.00 H new ATOM 1575 N PRO A 105 20.680 -6.768 1.961 1.00 0.00 N ATOM 1576 CA PRO A 105 21.935 -6.272 1.391 1.00 0.00 C ATOM 1577 C PRO A 105 22.362 -7.057 0.155 1.00 0.00 C ATOM 1578 O PRO A 105 21.979 -8.214 -0.019 1.00 0.00 O ATOM 1579 CB PRO A 105 22.944 -6.471 2.525 1.00 0.00 C ATOM 1580 CG PRO A 105 22.378 -7.579 3.344 1.00 0.00 C ATOM 1581 CD PRO A 105 20.884 -7.438 3.257 1.00 0.00 C ATOM 0 HA PRO A 105 21.848 -5.239 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.930 -6.729 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 105 23.061 -5.562 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.701 -8.549 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.717 -7.512 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.386 -8.407 3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.487 -6.846 4.082 1.00 0.00 H new ATOM 1589 N ALA A 106 23.157 -6.422 -0.699 1.00 0.00 N ATOM 1590 CA ALA A 106 23.637 -7.063 -1.917 1.00 0.00 C ATOM 1591 C ALA A 106 24.490 -8.285 -1.595 1.00 0.00 C ATOM 1592 O ALA A 106 25.598 -8.160 -1.073 1.00 0.00 O ATOM 1593 CB ALA A 106 24.427 -6.072 -2.758 1.00 0.00 C ATOM 0 H ALA A 106 23.483 -5.464 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 106 22.771 -7.398 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.780 -6.564 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.787 -5.231 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.281 -5.709 -2.186 1.00 0.00 H new