USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -122:sc= 0.585 USER MOD Set 2.2: A 74 THR OG1 : rot -120:sc= -1.45 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc= -0.768 USER MOD Single : A 25 THR OG1 : rot 41:sc= 0.1 USER MOD Single : A 39 SER OG : rot 29:sc= 0.604 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= -3.79! (180deg=-4.09!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.766 K(o=-0.77,f=-4.5!) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.563 F(o=-1,f=0.56) USER MOD Single : A 59 SER OG : rot -58:sc= 2.06 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.361 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.2!) USER MOD Single : A 87 SER OG : rot -131:sc= 0.00474 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0825 K(o=-0.083,f=-1.8!) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 0.0864 (180deg=-0.791) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.447 3.700 2.869 1.00 0.00 N ATOM 106 CA ALA A 11 4.222 3.167 2.285 1.00 0.00 C ATOM 107 C ALA A 11 3.274 4.289 1.878 1.00 0.00 C ATOM 108 O ALA A 11 2.054 4.143 1.956 1.00 0.00 O ATOM 109 CB ALA A 11 3.538 2.224 3.265 1.00 0.00 C ATOM 0 HA ALA A 11 4.489 2.610 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.625 1.833 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.208 1.398 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.291 2.765 4.178 1.00 0.00 H new ATOM 115 N GLY A 12 3.842 5.410 1.445 1.00 0.00 N ATOM 116 CA GLY A 12 3.032 6.542 1.032 1.00 0.00 C ATOM 117 C GLY A 12 2.193 7.097 2.166 1.00 0.00 C ATOM 118 O GLY A 12 2.022 6.465 3.209 1.00 0.00 O ATOM 0 H GLY A 12 4.849 5.555 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.681 7.328 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.378 6.238 0.215 1.00 0.00 H new ATOM 122 N PRO A 13 1.653 8.309 1.969 1.00 0.00 N ATOM 123 CA PRO A 13 0.819 8.977 2.973 1.00 0.00 C ATOM 124 C PRO A 13 -0.533 8.295 3.150 1.00 0.00 C ATOM 125 O PRO A 13 -0.798 7.254 2.549 1.00 0.00 O ATOM 126 CB PRO A 13 0.637 10.386 2.402 1.00 0.00 C ATOM 127 CG PRO A 13 0.809 10.224 0.931 1.00 0.00 C ATOM 128 CD PRO A 13 1.814 9.120 0.750 1.00 0.00 C ATOM 0 HA PRO A 13 1.278 8.959 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.347 10.787 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.373 11.078 2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.138 9.972 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.160 11.150 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.614 8.538 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.828 9.510 0.658 1.00 0.00 H new ATOM 136 N ASP A 14 -1.386 8.889 3.977 1.00 0.00 N ATOM 137 CA ASP A 14 -2.712 8.340 4.232 1.00 0.00 C ATOM 138 C ASP A 14 -3.517 8.240 2.940 1.00 0.00 C ATOM 139 O ASP A 14 -3.502 9.154 2.115 1.00 0.00 O ATOM 140 CB ASP A 14 -3.460 9.205 5.248 1.00 0.00 C ATOM 141 CG ASP A 14 -3.722 10.607 4.733 1.00 0.00 C ATOM 142 OD1 ASP A 14 -2.847 11.479 4.916 1.00 0.00 O ATOM 143 OD2 ASP A 14 -4.802 10.832 4.147 1.00 0.00 O ATOM 0 H ASP A 14 -1.182 9.751 4.482 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.590 7.337 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.409 8.729 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.880 9.262 6.169 1.00 0.00 H new ATOM 148 N LYS A 15 -4.218 7.125 2.770 1.00 0.00 N ATOM 149 CA LYS A 15 -5.030 6.905 1.579 1.00 0.00 C ATOM 150 C LYS A 15 -6.511 7.097 1.886 1.00 0.00 C ATOM 151 O LYS A 15 -7.076 6.397 2.727 1.00 0.00 O ATOM 152 CB LYS A 15 -4.792 5.497 1.027 1.00 0.00 C ATOM 153 CG LYS A 15 -3.453 5.337 0.326 1.00 0.00 C ATOM 154 CD LYS A 15 -3.554 5.679 -1.151 1.00 0.00 C ATOM 155 CE LYS A 15 -2.191 6.013 -1.740 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.310 6.727 -3.041 1.00 0.00 N ATOM 0 H LYS A 15 -4.240 6.358 3.443 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.734 7.638 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.852 4.780 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.591 5.250 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.713 5.982 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.102 4.312 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.989 4.838 -1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.227 6.526 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.633 6.630 -1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.621 5.095 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.361 6.937 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.821 6.128 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.832 7.616 -2.903 1.00 0.00 H new ATOM 170 N GLU A 16 -7.135 8.049 1.199 1.00 0.00 N ATOM 171 CA GLU A 16 -8.552 8.332 1.400 1.00 0.00 C ATOM 172 C GLU A 16 -9.317 8.236 0.084 1.00 0.00 C ATOM 173 O GLU A 16 -9.206 9.109 -0.778 1.00 0.00 O ATOM 174 CB GLU A 16 -8.735 9.723 2.009 1.00 0.00 C ATOM 175 CG GLU A 16 -10.011 9.868 2.822 1.00 0.00 C ATOM 176 CD GLU A 16 -10.395 11.317 3.052 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.615 12.041 3.706 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.475 11.727 2.578 1.00 0.00 O ATOM 0 H GLU A 16 -6.682 8.637 0.499 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.952 7.587 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.880 9.946 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.738 10.463 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.825 9.358 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.882 9.373 3.785 1.00 0.00 H new ATOM 185 N LEU A 17 -10.095 7.169 -0.065 1.00 0.00 N ATOM 186 CA LEU A 17 -10.880 6.957 -1.276 1.00 0.00 C ATOM 187 C LEU A 17 -12.356 7.245 -1.026 1.00 0.00 C ATOM 188 O LEU A 17 -12.848 7.098 0.094 1.00 0.00 O ATOM 189 CB LEU A 17 -10.706 5.521 -1.775 1.00 0.00 C ATOM 190 CG LEU A 17 -9.277 4.978 -1.773 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.284 3.458 -1.733 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.514 5.478 -2.990 1.00 0.00 C ATOM 0 H LEU A 17 -10.199 6.437 0.638 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.519 7.647 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.323 4.866 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.094 5.461 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.772 5.342 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.258 3.089 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.792 3.120 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.807 3.073 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.499 5.081 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.017 5.144 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.478 6.567 -2.975 1.00 0.00 H new ATOM 204 N THR A 18 -13.061 7.655 -2.076 1.00 0.00 N ATOM 205 CA THR A 18 -14.481 7.964 -1.971 1.00 0.00 C ATOM 206 C THR A 18 -15.274 7.290 -3.085 1.00 0.00 C ATOM 207 O THR A 18 -15.127 7.630 -4.259 1.00 0.00 O ATOM 208 CB THR A 18 -14.732 9.482 -2.024 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.896 10.151 -1.072 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.192 9.800 -1.736 1.00 0.00 C ATOM 0 H THR A 18 -12.671 7.781 -3.010 1.00 0.00 H new ATOM 0 HA THR A 18 -14.817 7.582 -1.007 1.00 0.00 H new ATOM 0 HB THR A 18 -14.491 9.832 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.061 11.116 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.345 10.878 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.824 9.314 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.455 9.436 -0.743 1.00 0.00 H new ATOM 218 N LEU A 19 -16.115 6.333 -2.710 1.00 0.00 N ATOM 219 CA LEU A 19 -16.933 5.611 -3.679 1.00 0.00 C ATOM 220 C LEU A 19 -17.435 6.547 -4.773 1.00 0.00 C ATOM 221 O LEU A 19 -17.499 7.765 -4.601 1.00 0.00 O ATOM 222 CB LEU A 19 -18.119 4.944 -2.978 1.00 0.00 C ATOM 223 CG LEU A 19 -17.853 3.565 -2.374 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.622 2.537 -3.471 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.660 3.617 -1.430 1.00 0.00 C ATOM 0 H LEU A 19 -16.249 6.039 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.313 4.843 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.465 5.606 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.935 4.853 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.731 3.265 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.434 1.562 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.505 2.480 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.761 2.832 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.485 2.627 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.775 3.939 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.864 4.322 -0.624 1.00 0.00 H new ATOM 237 N PRO A 20 -17.803 5.967 -5.925 1.00 0.00 N ATOM 238 CA PRO A 20 -17.731 4.519 -6.141 1.00 0.00 C ATOM 239 C PRO A 20 -16.295 4.017 -6.234 1.00 0.00 C ATOM 240 O PRO A 20 -16.052 2.816 -6.352 1.00 0.00 O ATOM 241 CB PRO A 20 -18.453 4.323 -7.477 1.00 0.00 C ATOM 242 CG PRO A 20 -18.309 5.629 -8.180 1.00 0.00 C ATOM 243 CD PRO A 20 -18.317 6.681 -7.106 1.00 0.00 C ATOM 0 HA PRO A 20 -18.174 3.962 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.007 3.512 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.502 4.068 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.382 5.664 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.126 5.785 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.685 7.529 -7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.320 7.072 -6.934 1.00 0.00 H new ATOM 251 N VAL A 21 -15.344 4.945 -6.179 1.00 0.00 N ATOM 252 CA VAL A 21 -13.930 4.596 -6.255 1.00 0.00 C ATOM 253 C VAL A 21 -13.569 3.538 -5.219 1.00 0.00 C ATOM 254 O VAL A 21 -13.166 3.860 -4.101 1.00 0.00 O ATOM 255 CB VAL A 21 -13.035 5.832 -6.044 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.566 5.437 -6.067 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.329 6.888 -7.099 1.00 0.00 C ATOM 0 H VAL A 21 -15.527 5.944 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.756 4.196 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.257 6.258 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.949 6.323 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.370 4.718 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.325 4.986 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.688 7.754 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.136 6.476 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.374 7.191 -7.029 1.00 0.00 H new ATOM 267 N ASP A 22 -13.715 2.273 -5.598 1.00 0.00 N ATOM 268 CA ASP A 22 -13.402 1.165 -4.702 1.00 0.00 C ATOM 269 C ASP A 22 -12.082 0.507 -5.092 1.00 0.00 C ATOM 270 O ASP A 22 -11.974 -0.719 -5.121 1.00 0.00 O ATOM 271 CB ASP A 22 -14.528 0.131 -4.723 1.00 0.00 C ATOM 272 CG ASP A 22 -14.969 -0.216 -6.131 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.109 -0.228 -7.037 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.174 -0.477 -6.328 1.00 0.00 O ATOM 0 H ASP A 22 -14.048 1.989 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.304 1.563 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.195 -0.775 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.380 0.515 -4.163 1.00 0.00 H new ATOM 279 N SER A 23 -11.083 1.329 -5.393 1.00 0.00 N ATOM 280 CA SER A 23 -9.771 0.827 -5.786 1.00 0.00 C ATOM 281 C SER A 23 -8.697 1.890 -5.578 1.00 0.00 C ATOM 282 O SER A 23 -8.934 3.080 -5.790 1.00 0.00 O ATOM 283 CB SER A 23 -9.790 0.385 -7.251 1.00 0.00 C ATOM 284 OG SER A 23 -9.741 1.502 -8.121 1.00 0.00 O ATOM 0 H SER A 23 -11.156 2.346 -5.372 1.00 0.00 H new ATOM 0 HA SER A 23 -9.534 -0.031 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.942 -0.270 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.692 -0.194 -7.448 1.00 0.00 H new ATOM 0 HG SER A 23 -9.753 1.193 -9.051 1.00 0.00 H new ATOM 290 N THR A 24 -7.513 1.452 -5.159 1.00 0.00 N ATOM 291 CA THR A 24 -6.402 2.364 -4.920 1.00 0.00 C ATOM 292 C THR A 24 -5.073 1.724 -5.305 1.00 0.00 C ATOM 293 O THR A 24 -5.009 0.531 -5.603 1.00 0.00 O ATOM 294 CB THR A 24 -6.341 2.800 -3.444 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.410 3.877 -3.290 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.932 1.637 -2.553 1.00 0.00 C ATOM 0 H THR A 24 -7.300 0.471 -4.978 1.00 0.00 H new ATOM 0 HA THR A 24 -6.573 3.242 -5.543 1.00 0.00 H new ATOM 0 HB THR A 24 -7.335 3.134 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.601 4.572 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.896 1.969 -1.515 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.659 0.831 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.948 1.277 -2.853 1.00 0.00 H new ATOM 304 N THR A 25 -4.012 2.525 -5.296 1.00 0.00 N ATOM 305 CA THR A 25 -2.683 2.036 -5.644 1.00 0.00 C ATOM 306 C THR A 25 -1.644 2.498 -4.629 1.00 0.00 C ATOM 307 O THR A 25 -1.504 3.694 -4.368 1.00 0.00 O ATOM 308 CB THR A 25 -2.260 2.511 -7.047 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.475 3.921 -7.172 1.00 0.00 O ATOM 310 CG2 THR A 25 -3.041 1.776 -8.125 1.00 0.00 C ATOM 0 H THR A 25 -4.047 3.515 -5.052 1.00 0.00 H new ATOM 0 HA THR A 25 -2.735 0.947 -5.637 1.00 0.00 H new ATOM 0 HB THR A 25 -1.200 2.293 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.202 4.368 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.725 2.128 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.852 0.705 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.106 1.967 -7.996 1.00 0.00 H new ATOM 318 N LEU A 26 -0.916 1.544 -4.059 1.00 0.00 N ATOM 319 CA LEU A 26 0.112 1.853 -3.071 1.00 0.00 C ATOM 320 C LEU A 26 1.488 1.931 -3.725 1.00 0.00 C ATOM 321 O LEU A 26 2.221 0.943 -3.772 1.00 0.00 O ATOM 322 CB LEU A 26 0.119 0.796 -1.965 1.00 0.00 C ATOM 323 CG LEU A 26 -1.228 0.509 -1.302 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.226 -0.871 -0.664 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.552 1.577 -0.267 1.00 0.00 C ATOM 0 H LEU A 26 -1.018 0.550 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.118 2.825 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.501 -0.135 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.821 1.111 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.001 0.530 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.193 -1.057 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.041 -1.625 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.442 -0.921 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.514 1.356 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.776 1.589 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.597 2.552 -0.752 1.00 0.00 H new ATOM 337 N ASP A 27 1.833 3.113 -4.224 1.00 0.00 N ATOM 338 CA ASP A 27 3.123 3.321 -4.872 1.00 0.00 C ATOM 339 C ASP A 27 4.221 3.544 -3.837 1.00 0.00 C ATOM 340 O ASP A 27 4.305 4.608 -3.225 1.00 0.00 O ATOM 341 CB ASP A 27 3.053 4.516 -5.824 1.00 0.00 C ATOM 342 CG ASP A 27 4.356 4.745 -6.564 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.418 4.744 -5.908 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.314 4.927 -7.799 1.00 0.00 O ATOM 0 H ASP A 27 1.238 3.941 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 27 3.363 2.424 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.252 4.355 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.797 5.412 -5.259 1.00 0.00 H new ATOM 349 N GLY A 28 5.062 2.532 -3.646 1.00 0.00 N ATOM 350 CA GLY A 28 6.143 2.637 -2.683 1.00 0.00 C ATOM 351 C GLY A 28 7.498 2.784 -3.347 1.00 0.00 C ATOM 352 O GLY A 28 8.514 2.359 -2.799 1.00 0.00 O ATOM 0 H GLY A 28 5.014 1.641 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.965 3.494 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.147 1.751 -2.048 1.00 0.00 H new ATOM 493 N ILE A 38 15.895 -4.286 -2.968 1.00 0.00 N ATOM 494 CA ILE A 38 15.691 -5.461 -3.805 1.00 0.00 C ATOM 495 C ILE A 38 14.663 -6.403 -3.189 1.00 0.00 C ATOM 496 O ILE A 38 14.788 -7.624 -3.284 1.00 0.00 O ATOM 497 CB ILE A 38 17.007 -6.230 -4.027 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.549 -6.752 -2.694 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.034 -5.338 -4.709 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.675 -7.750 -2.849 1.00 0.00 C ATOM 0 HA ILE A 38 15.322 -5.103 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 38 16.807 -7.083 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.901 -5.909 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.736 -7.218 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.958 -5.896 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.648 -5.010 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.233 -4.468 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.010 -8.077 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.322 -8.611 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.506 -7.282 -3.378 1.00 0.00 H new ATOM 512 N SER A 39 13.644 -5.828 -2.558 1.00 0.00 N ATOM 513 CA SER A 39 12.594 -6.616 -1.924 1.00 0.00 C ATOM 514 C SER A 39 11.324 -5.788 -1.750 1.00 0.00 C ATOM 515 O SER A 39 11.378 -4.621 -1.362 1.00 0.00 O ATOM 516 CB SER A 39 13.067 -7.136 -0.566 1.00 0.00 C ATOM 517 OG SER A 39 13.748 -8.371 -0.703 1.00 0.00 O ATOM 0 H SER A 39 13.524 -4.819 -2.472 1.00 0.00 H new ATOM 0 HA SER A 39 12.369 -7.464 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.727 -6.403 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.211 -7.260 0.098 1.00 0.00 H new ATOM 0 HG SER A 39 14.170 -8.416 -1.587 1.00 0.00 H new ATOM 523 N TYR A 40 10.182 -6.401 -2.040 1.00 0.00 N ATOM 524 CA TYR A 40 8.897 -5.722 -1.918 1.00 0.00 C ATOM 525 C TYR A 40 7.791 -6.708 -1.557 1.00 0.00 C ATOM 526 O TYR A 40 7.637 -7.749 -2.198 1.00 0.00 O ATOM 527 CB TYR A 40 8.550 -5.005 -3.224 1.00 0.00 C ATOM 528 CG TYR A 40 9.550 -3.941 -3.616 1.00 0.00 C ATOM 529 CD1 TYR A 40 10.665 -4.256 -4.383 1.00 0.00 C ATOM 530 CD2 TYR A 40 9.380 -2.620 -3.219 1.00 0.00 C ATOM 531 CE1 TYR A 40 11.582 -3.287 -4.743 1.00 0.00 C ATOM 532 CE2 TYR A 40 10.291 -1.645 -3.575 1.00 0.00 C ATOM 533 CZ TYR A 40 11.391 -1.983 -4.336 1.00 0.00 C ATOM 534 OH TYR A 40 12.301 -1.015 -4.693 1.00 0.00 O ATOM 0 H TYR A 40 10.120 -7.367 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 40 8.978 -4.987 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.482 -5.741 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.565 -4.548 -3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.818 -5.276 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.521 -2.351 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.443 -3.549 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.143 -0.623 -3.259 1.00 0.00 H new ATOM 0 HH TYR A 40 12.019 -0.150 -4.327 1.00 0.00 H new ATOM 544 N LEU A 41 7.023 -6.374 -0.526 1.00 0.00 N ATOM 545 CA LEU A 41 5.929 -7.229 -0.077 1.00 0.00 C ATOM 546 C LEU A 41 4.750 -6.393 0.411 1.00 0.00 C ATOM 547 O LEU A 41 4.894 -5.563 1.309 1.00 0.00 O ATOM 548 CB LEU A 41 6.408 -8.158 1.039 1.00 0.00 C ATOM 549 CG LEU A 41 5.374 -9.148 1.578 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.848 -10.032 0.458 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.974 -9.993 2.691 1.00 0.00 C ATOM 0 H LEU A 41 7.137 -5.517 0.015 1.00 0.00 H new ATOM 0 HA LEU A 41 5.598 -7.830 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.265 -8.722 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.761 -7.545 1.868 1.00 0.00 H new ATOM 0 HG LEU A 41 4.538 -8.583 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.114 -10.730 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.379 -9.411 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.674 -10.589 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.224 -10.691 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.828 -10.549 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.300 -9.345 3.504 1.00 0.00 H new ATOM 563 N TRP A 42 3.585 -6.620 -0.185 1.00 0.00 N ATOM 564 CA TRP A 42 2.380 -5.889 0.191 1.00 0.00 C ATOM 565 C TRP A 42 1.317 -6.836 0.735 1.00 0.00 C ATOM 566 O TRP A 42 0.869 -7.746 0.038 1.00 0.00 O ATOM 567 CB TRP A 42 1.829 -5.120 -1.011 1.00 0.00 C ATOM 568 CG TRP A 42 2.596 -3.869 -1.318 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.593 -3.725 -2.240 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.428 -2.588 -0.701 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.056 -2.431 -2.233 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.357 -1.714 -1.299 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.583 -2.094 0.295 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.463 -0.375 -0.930 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.689 -0.766 0.661 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.623 0.081 0.049 1.00 0.00 C ATOM 0 H TRP A 42 3.449 -7.304 -0.930 1.00 0.00 H new ATOM 0 HA TRP A 42 2.645 -5.181 0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.842 -5.770 -1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.787 -4.862 -0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.963 -4.512 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.800 -2.064 -2.827 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.859 -2.739 0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.182 0.280 -1.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.041 -0.374 1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.681 1.115 0.356 1.00 0.00 H new ATOM 587 N GLU A 43 0.917 -6.616 1.984 1.00 0.00 N ATOM 588 CA GLU A 43 -0.094 -7.452 2.620 1.00 0.00 C ATOM 589 C GLU A 43 -0.984 -6.624 3.542 1.00 0.00 C ATOM 590 O GLU A 43 -0.554 -5.609 4.092 1.00 0.00 O ATOM 591 CB GLU A 43 0.570 -8.581 3.412 1.00 0.00 C ATOM 592 CG GLU A 43 1.501 -9.444 2.578 1.00 0.00 C ATOM 593 CD GLU A 43 1.950 -10.694 3.310 1.00 0.00 C ATOM 594 OE1 GLU A 43 2.581 -10.562 4.379 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.668 -11.805 2.812 1.00 0.00 O ATOM 0 H GLU A 43 1.278 -5.867 2.575 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.716 -7.885 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.132 -8.150 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.205 -9.213 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.996 -9.730 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.376 -8.859 2.295 1.00 0.00 H new ATOM 602 N LYS A 44 -2.227 -7.063 3.707 1.00 0.00 N ATOM 603 CA LYS A 44 -3.179 -6.364 4.562 1.00 0.00 C ATOM 604 C LYS A 44 -3.134 -6.910 5.986 1.00 0.00 C ATOM 605 O LYS A 44 -3.569 -8.033 6.245 1.00 0.00 O ATOM 606 CB LYS A 44 -4.595 -6.496 3.998 1.00 0.00 C ATOM 607 CG LYS A 44 -5.672 -5.961 4.926 1.00 0.00 C ATOM 608 CD LYS A 44 -7.053 -6.076 4.303 1.00 0.00 C ATOM 609 CE LYS A 44 -7.528 -7.520 4.263 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.435 -7.774 3.110 1.00 0.00 N ATOM 0 H LYS A 44 -2.599 -7.901 3.259 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.902 -5.310 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.649 -5.965 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.797 -7.546 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.649 -6.511 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.464 -4.917 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.761 -5.475 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.032 -5.671 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.666 -8.184 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.046 -7.758 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.710 -8.777 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.286 -7.183 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.944 -7.540 2.224 1.00 0.00 H new ATOM 624 N THR A 45 -2.608 -6.109 6.907 1.00 0.00 N ATOM 625 CA THR A 45 -2.507 -6.512 8.303 1.00 0.00 C ATOM 626 C THR A 45 -3.867 -6.461 8.990 1.00 0.00 C ATOM 627 O THR A 45 -4.288 -7.427 9.625 1.00 0.00 O ATOM 628 CB THR A 45 -1.520 -5.618 9.077 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.515 -4.299 8.520 1.00 0.00 O ATOM 630 CG2 THR A 45 -0.114 -6.198 9.032 1.00 0.00 C ATOM 0 H THR A 45 -2.245 -5.176 6.710 1.00 0.00 H new ATOM 0 HA THR A 45 -2.138 -7.538 8.309 1.00 0.00 H new ATOM 0 HB THR A 45 -1.844 -5.572 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.607 -4.068 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.565 -5.549 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.115 -7.191 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.217 -6.270 7.996 1.00 0.00 H new ATOM 638 N GLN A 46 -4.549 -5.327 8.858 1.00 0.00 N ATOM 639 CA GLN A 46 -5.862 -5.151 9.466 1.00 0.00 C ATOM 640 C GLN A 46 -6.920 -4.867 8.405 1.00 0.00 C ATOM 641 O GLN A 46 -6.617 -4.801 7.215 1.00 0.00 O ATOM 642 CB GLN A 46 -5.826 -4.011 10.485 1.00 0.00 C ATOM 643 CG GLN A 46 -5.474 -4.463 11.893 1.00 0.00 C ATOM 644 CD GLN A 46 -5.109 -3.308 12.804 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.064 -2.678 12.638 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.971 -3.022 13.773 1.00 0.00 N ATOM 0 H GLN A 46 -4.214 -4.518 8.336 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.125 -6.077 9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.099 -3.267 10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.799 -3.520 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.320 -5.003 12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.639 -5.162 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.825 -3.570 13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.779 -2.254 14.416 1.00 0.00 H new ATOM 655 N GLY A 47 -8.163 -4.701 8.846 1.00 0.00 N ATOM 656 CA GLY A 47 -9.248 -4.427 7.921 1.00 0.00 C ATOM 657 C GLY A 47 -10.031 -5.674 7.560 1.00 0.00 C ATOM 658 O GLY A 47 -9.630 -6.796 7.870 1.00 0.00 O ATOM 0 H GLY A 47 -8.438 -4.751 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.922 -3.694 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.843 -3.980 7.013 1.00 0.00 H new ATOM 662 N PRO A 48 -11.177 -5.484 6.891 1.00 0.00 N ATOM 663 CA PRO A 48 -12.043 -6.591 6.474 1.00 0.00 C ATOM 664 C PRO A 48 -11.419 -7.428 5.363 1.00 0.00 C ATOM 665 O PRO A 48 -10.767 -6.897 4.464 1.00 0.00 O ATOM 666 CB PRO A 48 -13.303 -5.884 5.967 1.00 0.00 C ATOM 667 CG PRO A 48 -12.838 -4.531 5.552 1.00 0.00 C ATOM 668 CD PRO A 48 -11.717 -4.174 6.488 1.00 0.00 C ATOM 0 HA PRO A 48 -12.229 -7.292 7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.750 -6.423 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.062 -5.820 6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.496 -4.536 4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.647 -3.803 5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.961 -3.563 5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.076 -3.606 7.346 1.00 0.00 H new ATOM 676 N ASP A 49 -11.623 -8.739 5.431 1.00 0.00 N ATOM 677 CA ASP A 49 -11.081 -9.651 4.430 1.00 0.00 C ATOM 678 C ASP A 49 -11.974 -9.692 3.194 1.00 0.00 C ATOM 679 O ASP A 49 -13.148 -10.050 3.275 1.00 0.00 O ATOM 680 CB ASP A 49 -10.934 -11.056 5.015 1.00 0.00 C ATOM 681 CG ASP A 49 -10.041 -11.944 4.171 1.00 0.00 C ATOM 682 OD1 ASP A 49 -9.065 -11.424 3.590 1.00 0.00 O ATOM 683 OD2 ASP A 49 -10.319 -13.159 4.091 1.00 0.00 O ATOM 0 H ASP A 49 -12.160 -9.194 6.169 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.098 -9.285 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.524 -10.986 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.919 -11.515 5.103 1.00 0.00 H new ATOM 688 N GLY A 50 -11.408 -9.322 2.048 1.00 0.00 N ATOM 689 CA GLY A 50 -12.167 -9.323 0.812 1.00 0.00 C ATOM 690 C GLY A 50 -11.413 -8.675 -0.332 1.00 0.00 C ATOM 691 O GLY A 50 -11.289 -9.255 -1.411 1.00 0.00 O ATOM 0 H GLY A 50 -10.438 -9.022 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.416 -10.349 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.109 -8.796 0.967 1.00 0.00 H new ATOM 695 N VAL A 51 -10.907 -7.468 -0.098 1.00 0.00 N ATOM 696 CA VAL A 51 -10.161 -6.740 -1.117 1.00 0.00 C ATOM 697 C VAL A 51 -9.197 -7.662 -1.856 1.00 0.00 C ATOM 698 O VAL A 51 -8.793 -8.701 -1.333 1.00 0.00 O ATOM 699 CB VAL A 51 -9.368 -5.571 -0.504 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.294 -4.645 0.270 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.254 -6.094 0.390 1.00 0.00 C ATOM 0 H VAL A 51 -11.001 -6.974 0.789 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.892 -6.343 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.915 -4.998 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.716 -3.825 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.052 -4.243 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.779 -5.202 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.704 -5.254 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.683 -6.691 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.575 -6.712 -0.198 1.00 0.00 H new ATOM 711 N GLN A 52 -8.832 -7.275 -3.073 1.00 0.00 N ATOM 712 CA GLN A 52 -7.915 -8.067 -3.884 1.00 0.00 C ATOM 713 C GLN A 52 -6.639 -7.287 -4.181 1.00 0.00 C ATOM 714 O GLN A 52 -6.681 -6.212 -4.780 1.00 0.00 O ATOM 715 CB GLN A 52 -8.588 -8.484 -5.193 1.00 0.00 C ATOM 716 CG GLN A 52 -9.321 -9.813 -5.103 1.00 0.00 C ATOM 717 CD GLN A 52 -8.377 -10.998 -5.053 1.00 0.00 C ATOM 718 OE1 GLN A 52 -7.417 -11.010 -4.282 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.646 -12.005 -5.877 1.00 0.00 N ATOM 0 H GLN A 52 -9.157 -6.418 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.650 -8.961 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.293 -7.709 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.833 -8.547 -5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.950 -9.817 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.983 -9.917 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.452 -11.953 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.046 -12.830 -5.887 1.00 0.00 H new ATOM 728 N LEU A 53 -5.505 -7.835 -3.759 1.00 0.00 N ATOM 729 CA LEU A 53 -4.215 -7.191 -3.980 1.00 0.00 C ATOM 730 C LEU A 53 -3.523 -7.764 -5.213 1.00 0.00 C ATOM 731 O LEU A 53 -3.435 -8.980 -5.377 1.00 0.00 O ATOM 732 CB LEU A 53 -3.319 -7.365 -2.752 1.00 0.00 C ATOM 733 CG LEU A 53 -3.420 -6.272 -1.687 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.129 -6.843 -0.308 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.467 -5.129 -2.005 1.00 0.00 C ATOM 0 H LEU A 53 -5.453 -8.724 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.392 -6.128 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.557 -8.321 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.284 -7.423 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.438 -5.882 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.205 -6.051 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.851 -7.627 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.122 -7.260 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.552 -4.360 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.444 -5.505 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.721 -4.702 -2.975 1.00 0.00 H new ATOM 747 N GLU A 54 -3.034 -6.879 -6.075 1.00 0.00 N ATOM 748 CA GLU A 54 -2.349 -7.298 -7.293 1.00 0.00 C ATOM 749 C GLU A 54 -0.911 -6.787 -7.312 1.00 0.00 C ATOM 750 O GLU A 54 -0.643 -5.644 -6.945 1.00 0.00 O ATOM 751 CB GLU A 54 -3.099 -6.790 -8.526 1.00 0.00 C ATOM 752 CG GLU A 54 -4.217 -7.712 -8.981 1.00 0.00 C ATOM 753 CD GLU A 54 -5.524 -7.444 -8.260 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.159 -6.408 -8.548 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.911 -8.270 -7.408 1.00 0.00 O ATOM 0 H GLU A 54 -3.099 -5.868 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.329 -8.388 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.516 -5.807 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.390 -6.661 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.367 -7.593 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.920 -8.747 -8.814 1.00 0.00 H new ATOM 762 N ASN A 55 0.009 -7.644 -7.742 1.00 0.00 N ATOM 763 CA ASN A 55 1.420 -7.280 -7.808 1.00 0.00 C ATOM 764 C ASN A 55 1.962 -6.950 -6.420 1.00 0.00 C ATOM 765 O ASN A 55 2.813 -6.074 -6.267 1.00 0.00 O ATOM 766 CB ASN A 55 1.617 -6.085 -8.742 1.00 0.00 C ATOM 767 CG ASN A 55 1.797 -6.505 -10.188 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.918 -6.716 -10.650 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.689 -6.628 -10.910 1.00 0.00 N ATOM 0 H ASN A 55 -0.197 -8.594 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 55 1.972 -8.134 -8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.756 -5.421 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.489 -5.516 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.747 -6.908 -11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.220 -6.443 -10.485 1.00 0.00 H new ATOM 776 N ALA A 56 1.464 -7.659 -5.412 1.00 0.00 N ATOM 777 CA ALA A 56 1.900 -7.443 -4.038 1.00 0.00 C ATOM 778 C ALA A 56 3.417 -7.545 -3.921 1.00 0.00 C ATOM 779 O ALA A 56 4.028 -6.904 -3.067 1.00 0.00 O ATOM 780 CB ALA A 56 1.229 -8.444 -3.109 1.00 0.00 C ATOM 0 H ALA A 56 0.759 -8.388 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 56 1.606 -6.436 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.563 -8.272 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.147 -8.322 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.495 -9.457 -3.412 1.00 0.00 H new ATOM 786 N ASN A 57 4.020 -8.356 -4.785 1.00 0.00 N ATOM 787 CA ASN A 57 5.466 -8.542 -4.777 1.00 0.00 C ATOM 788 C ASN A 57 6.156 -7.486 -5.636 1.00 0.00 C ATOM 789 O ASN A 57 7.176 -7.755 -6.269 1.00 0.00 O ATOM 790 CB ASN A 57 5.824 -9.941 -5.284 1.00 0.00 C ATOM 791 CG ASN A 57 7.218 -10.368 -4.867 1.00 0.00 C ATOM 792 OD1 ASN A 57 7.294 -11.363 -3.991 1.00 0.00 O flip ATOM 793 ND2 ASN A 57 8.214 -9.811 -5.327 1.00 0.00 N flip ATOM 0 H ASN A 57 3.529 -8.894 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 57 5.815 -8.434 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.098 -10.659 -4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.751 -9.960 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.109 -9.050 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.145 -10.110 -5.037 1.00 0.00 H new ATOM 800 N SER A 58 5.590 -6.283 -5.651 1.00 0.00 N ATOM 801 CA SER A 58 6.148 -5.186 -6.434 1.00 0.00 C ATOM 802 C SER A 58 6.050 -3.869 -5.671 1.00 0.00 C ATOM 803 O SER A 58 5.180 -3.697 -4.817 1.00 0.00 O ATOM 804 CB SER A 58 5.421 -5.067 -7.775 1.00 0.00 C ATOM 805 OG SER A 58 5.769 -6.134 -8.640 1.00 0.00 O ATOM 0 H SER A 58 4.746 -6.043 -5.130 1.00 0.00 H new ATOM 0 HA SER A 58 7.201 -5.402 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.344 -5.066 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.672 -4.116 -8.245 1.00 0.00 H new ATOM 0 HG SER A 58 5.290 -6.036 -9.489 1.00 0.00 H new ATOM 811 N SER A 59 6.950 -2.942 -5.984 1.00 0.00 N ATOM 812 CA SER A 59 6.969 -1.641 -5.326 1.00 0.00 C ATOM 813 C SER A 59 5.602 -0.969 -5.412 1.00 0.00 C ATOM 814 O SER A 59 5.201 -0.234 -4.510 1.00 0.00 O ATOM 815 CB SER A 59 8.032 -0.741 -5.958 1.00 0.00 C ATOM 816 OG SER A 59 9.213 -1.471 -6.243 1.00 0.00 O ATOM 0 H SER A 59 7.676 -3.068 -6.690 1.00 0.00 H new ATOM 0 HA SER A 59 7.213 -1.797 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.642 -0.301 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.264 0.083 -5.283 1.00 0.00 H new ATOM 0 HG SER A 59 9.555 -1.875 -5.418 1.00 0.00 H new ATOM 822 N VAL A 60 4.890 -1.228 -6.505 1.00 0.00 N ATOM 823 CA VAL A 60 3.567 -0.650 -6.710 1.00 0.00 C ATOM 824 C VAL A 60 2.489 -1.728 -6.706 1.00 0.00 C ATOM 825 O VAL A 60 2.400 -2.533 -7.633 1.00 0.00 O ATOM 826 CB VAL A 60 3.494 0.129 -8.036 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.145 0.817 -8.179 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.629 1.139 -8.124 1.00 0.00 C ATOM 0 H VAL A 60 5.207 -1.834 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 60 3.391 0.038 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 60 3.603 -0.578 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.113 1.362 -9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.352 0.069 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.002 1.513 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.562 1.681 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.554 1.843 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.585 0.618 -8.072 1.00 0.00 H new ATOM 838 N ALA A 61 1.673 -1.738 -5.658 1.00 0.00 N ATOM 839 CA ALA A 61 0.599 -2.716 -5.535 1.00 0.00 C ATOM 840 C ALA A 61 -0.762 -2.068 -5.761 1.00 0.00 C ATOM 841 O ALA A 61 -0.922 -0.859 -5.595 1.00 0.00 O ATOM 842 CB ALA A 61 0.648 -3.384 -4.168 1.00 0.00 C ATOM 0 H ALA A 61 1.735 -1.080 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 61 0.742 -3.475 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.159 -4.112 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.606 -3.890 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.533 -2.629 -3.390 1.00 0.00 H new ATOM 848 N THR A 62 -1.743 -2.881 -6.144 1.00 0.00 N ATOM 849 CA THR A 62 -3.091 -2.386 -6.395 1.00 0.00 C ATOM 850 C THR A 62 -4.125 -3.188 -5.613 1.00 0.00 C ATOM 851 O THR A 62 -4.108 -4.418 -5.622 1.00 0.00 O ATOM 852 CB THR A 62 -3.439 -2.444 -7.894 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.541 -1.613 -8.638 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.872 -1.993 -8.134 1.00 0.00 C ATOM 0 H THR A 62 -1.629 -3.884 -6.287 1.00 0.00 H new ATOM 0 HA THR A 62 -3.114 -1.348 -6.064 1.00 0.00 H new ATOM 0 HB THR A 62 -3.339 -3.477 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.768 -1.657 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.095 -2.042 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.555 -2.645 -7.590 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.994 -0.968 -7.785 1.00 0.00 H new ATOM 862 N VAL A 63 -5.027 -2.482 -4.938 1.00 0.00 N ATOM 863 CA VAL A 63 -6.071 -3.128 -4.152 1.00 0.00 C ATOM 864 C VAL A 63 -7.456 -2.774 -4.681 1.00 0.00 C ATOM 865 O VAL A 63 -7.874 -1.616 -4.635 1.00 0.00 O ATOM 866 CB VAL A 63 -5.984 -2.729 -2.667 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.055 -3.445 -1.858 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.598 -3.030 -2.116 1.00 0.00 C ATOM 0 H VAL A 63 -5.055 -1.463 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.915 -4.203 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.158 -1.656 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.978 -3.151 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.040 -3.175 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.916 -4.523 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.554 -2.742 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.393 -4.097 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.853 -2.467 -2.678 1.00 0.00 H new ATOM 878 N THR A 64 -8.167 -3.778 -5.184 1.00 0.00 N ATOM 879 CA THR A 64 -9.505 -3.574 -5.723 1.00 0.00 C ATOM 880 C THR A 64 -10.565 -4.172 -4.806 1.00 0.00 C ATOM 881 O THR A 64 -10.268 -5.030 -3.976 1.00 0.00 O ATOM 882 CB THR A 64 -9.647 -4.194 -7.126 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.552 -5.620 -7.043 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.573 -3.663 -8.064 1.00 0.00 C ATOM 0 H THR A 64 -7.837 -4.742 -5.229 1.00 0.00 H new ATOM 0 HA THR A 64 -9.656 -2.497 -5.793 1.00 0.00 H new ATOM 0 HB THR A 64 -10.623 -3.918 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.645 -6.007 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.694 -4.115 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.666 -2.580 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.589 -3.913 -7.668 1.00 0.00 H new ATOM 892 N GLY A 65 -11.803 -3.714 -4.962 1.00 0.00 N ATOM 893 CA GLY A 65 -12.889 -4.217 -4.140 1.00 0.00 C ATOM 894 C GLY A 65 -12.860 -3.654 -2.733 1.00 0.00 C ATOM 895 O GLY A 65 -13.039 -4.387 -1.759 1.00 0.00 O ATOM 0 H GLY A 65 -12.074 -3.004 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.841 -3.967 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.832 -5.305 -4.094 1.00 0.00 H new ATOM 899 N LEU A 66 -12.632 -2.350 -2.624 1.00 0.00 N ATOM 900 CA LEU A 66 -12.578 -1.689 -1.325 1.00 0.00 C ATOM 901 C LEU A 66 -13.959 -1.192 -0.909 1.00 0.00 C ATOM 902 O LEU A 66 -14.749 -0.756 -1.745 1.00 0.00 O ATOM 903 CB LEU A 66 -11.593 -0.519 -1.366 1.00 0.00 C ATOM 904 CG LEU A 66 -10.110 -0.889 -1.351 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.290 0.163 -2.082 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.616 -1.054 0.078 1.00 0.00 C ATOM 0 H LEU A 66 -12.482 -1.729 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.237 -2.417 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.792 0.066 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.794 0.129 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.987 -1.840 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.237 -0.117 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.626 0.233 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.418 1.129 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.558 -1.317 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.753 -0.118 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.183 -1.845 0.570 1.00 0.00 H new ATOM 918 N GLN A 67 -14.240 -1.259 0.388 1.00 0.00 N ATOM 919 CA GLN A 67 -15.525 -0.814 0.915 1.00 0.00 C ATOM 920 C GLN A 67 -15.332 0.151 2.079 1.00 0.00 C ATOM 921 O GLN A 67 -14.228 0.293 2.605 1.00 0.00 O ATOM 922 CB GLN A 67 -16.359 -2.015 1.365 1.00 0.00 C ATOM 923 CG GLN A 67 -16.723 -2.962 0.233 1.00 0.00 C ATOM 924 CD GLN A 67 -17.752 -3.996 0.645 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.342 -3.907 1.722 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.974 -4.985 -0.213 1.00 0.00 N ATOM 0 H GLN A 67 -13.596 -1.617 1.093 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.054 -0.291 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.806 -2.567 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.274 -1.655 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.109 -2.386 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.823 -3.469 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.462 -5.020 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.656 -5.710 0.010 1.00 0.00 H new ATOM 935 N VAL A 68 -16.413 0.814 2.478 1.00 0.00 N ATOM 936 CA VAL A 68 -16.362 1.766 3.582 1.00 0.00 C ATOM 937 C VAL A 68 -15.795 1.119 4.840 1.00 0.00 C ATOM 938 O VAL A 68 -16.520 0.489 5.608 1.00 0.00 O ATOM 939 CB VAL A 68 -17.758 2.336 3.896 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.678 3.358 5.020 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.375 2.951 2.648 1.00 0.00 C ATOM 0 H VAL A 68 -17.335 0.710 2.053 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.707 2.579 3.269 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.399 1.519 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.674 3.749 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.281 2.882 5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.022 4.176 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.361 3.349 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.737 3.757 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.470 2.188 1.875 1.00 0.00 H new ATOM 951 N GLY A 69 -14.491 1.280 5.045 1.00 0.00 N ATOM 952 CA GLY A 69 -13.847 0.706 6.212 1.00 0.00 C ATOM 953 C GLY A 69 -12.394 1.121 6.336 1.00 0.00 C ATOM 954 O GLY A 69 -11.950 2.060 5.675 1.00 0.00 O ATOM 0 H GLY A 69 -13.869 1.798 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.387 1.012 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.908 -0.381 6.159 1.00 0.00 H new ATOM 958 N THR A 70 -11.651 0.421 7.187 1.00 0.00 N ATOM 959 CA THR A 70 -10.241 0.723 7.398 1.00 0.00 C ATOM 960 C THR A 70 -9.358 -0.445 6.974 1.00 0.00 C ATOM 961 O THR A 70 -9.455 -1.541 7.527 1.00 0.00 O ATOM 962 CB THR A 70 -9.953 1.061 8.873 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.941 1.971 9.369 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.569 1.673 9.028 1.00 0.00 C ATOM 0 H THR A 70 -12.003 -0.359 7.742 1.00 0.00 H new ATOM 0 HA THR A 70 -10.009 1.592 6.782 1.00 0.00 H new ATOM 0 HB THR A 70 -9.990 0.136 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.752 2.179 10.308 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.388 1.903 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.817 0.966 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.508 2.589 8.440 1.00 0.00 H new ATOM 972 N TYR A 71 -8.498 -0.204 5.992 1.00 0.00 N ATOM 973 CA TYR A 71 -7.598 -1.238 5.493 1.00 0.00 C ATOM 974 C TYR A 71 -6.143 -0.872 5.765 1.00 0.00 C ATOM 975 O TYR A 71 -5.643 0.141 5.275 1.00 0.00 O ATOM 976 CB TYR A 71 -7.811 -1.449 3.993 1.00 0.00 C ATOM 977 CG TYR A 71 -9.195 -1.948 3.642 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.252 -1.063 3.473 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.444 -3.305 3.479 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.518 -1.514 3.153 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.706 -3.766 3.158 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.740 -2.866 2.996 1.00 0.00 C ATOM 983 OH TYR A 71 -12.999 -3.321 2.677 1.00 0.00 O ATOM 0 H TYR A 71 -8.404 0.698 5.525 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.824 -2.165 6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.630 -0.508 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.073 -2.162 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.081 -0.003 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.637 -4.012 3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.329 -0.812 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.883 -4.824 3.035 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.943 -4.250 2.370 1.00 0.00 H new ATOM 993 N VAL A 72 -5.466 -1.704 6.550 1.00 0.00 N ATOM 994 CA VAL A 72 -4.067 -1.471 6.887 1.00 0.00 C ATOM 995 C VAL A 72 -3.151 -2.418 6.119 1.00 0.00 C ATOM 996 O VAL A 72 -3.171 -3.629 6.337 1.00 0.00 O ATOM 997 CB VAL A 72 -3.817 -1.644 8.397 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.468 -1.058 8.785 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.938 -1.000 9.199 1.00 0.00 C ATOM 0 H VAL A 72 -5.865 -2.546 6.965 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.841 -0.443 6.604 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.803 -2.710 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.309 -1.189 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.678 -1.569 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.450 0.005 8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.746 -1.132 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.986 0.064 8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.887 -1.471 8.941 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.349 -1.857 5.221 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.425 -2.652 4.420 1.00 0.00 C ATOM 1011 C PHE A 73 0.019 -2.395 4.840 1.00 0.00 C ATOM 1012 O PHE A 73 0.510 -1.268 4.761 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.600 -2.332 2.934 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.011 -2.499 2.447 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.484 -3.744 2.067 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.864 -1.410 2.368 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.782 -3.902 1.619 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.163 -1.561 1.921 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.623 -2.808 1.545 1.00 0.00 C ATOM 0 H PHE A 73 -2.320 -0.856 5.029 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.652 -3.705 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.280 -1.306 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.944 -2.979 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.830 -4.602 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.510 -0.432 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.138 -4.879 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.818 -0.704 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.637 -2.928 1.194 1.00 0.00 H new ATOM 1029 N THR A 74 0.695 -3.448 5.288 1.00 0.00 N ATOM 1030 CA THR A 74 2.082 -3.337 5.723 1.00 0.00 C ATOM 1031 C THR A 74 3.043 -3.627 4.576 1.00 0.00 C ATOM 1032 O THR A 74 2.881 -4.610 3.850 1.00 0.00 O ATOM 1033 CB THR A 74 2.384 -4.301 6.886 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.357 -4.207 7.880 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.733 -3.985 7.514 1.00 0.00 C ATOM 0 H THR A 74 0.305 -4.388 5.359 1.00 0.00 H new ATOM 0 HA THR A 74 2.226 -2.311 6.063 1.00 0.00 H new ATOM 0 HB THR A 74 2.414 -5.316 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.752 -3.929 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.925 -4.679 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.516 -4.085 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.726 -2.965 7.897 1.00 0.00 H new ATOM 1043 N LEU A 75 4.043 -2.768 4.416 1.00 0.00 N ATOM 1044 CA LEU A 75 5.031 -2.932 3.356 1.00 0.00 C ATOM 1045 C LEU A 75 6.378 -3.360 3.930 1.00 0.00 C ATOM 1046 O LEU A 75 7.092 -2.559 4.533 1.00 0.00 O ATOM 1047 CB LEU A 75 5.189 -1.628 2.572 1.00 0.00 C ATOM 1048 CG LEU A 75 6.367 -1.568 1.599 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.239 -2.652 0.539 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.455 -0.194 0.951 1.00 0.00 C ATOM 0 H LEU A 75 4.191 -1.950 5.007 1.00 0.00 H new ATOM 0 HA LEU A 75 4.679 -3.713 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.271 -1.451 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.290 -0.809 3.284 1.00 0.00 H new ATOM 0 HG LEU A 75 7.285 -1.742 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.086 -2.594 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.226 -3.631 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.313 -2.509 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.299 -0.170 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.534 0.010 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.595 0.564 1.722 1.00 0.00 H new ATOM 1062 N THR A 76 6.722 -4.630 3.735 1.00 0.00 N ATOM 1063 CA THR A 76 7.983 -5.165 4.232 1.00 0.00 C ATOM 1064 C THR A 76 9.014 -5.270 3.114 1.00 0.00 C ATOM 1065 O THR A 76 8.870 -6.080 2.197 1.00 0.00 O ATOM 1066 CB THR A 76 7.792 -6.554 4.871 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.904 -6.460 5.990 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.126 -7.130 5.321 1.00 0.00 C ATOM 0 H THR A 76 6.144 -5.307 3.236 1.00 0.00 H new ATOM 0 HA THR A 76 8.343 -4.471 4.991 1.00 0.00 H new ATOM 0 HB THR A 76 7.362 -7.219 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.786 -7.347 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.966 -8.111 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.789 -7.227 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.580 -6.465 6.056 1.00 0.00 H new ATOM 1076 N VAL A 77 10.054 -4.447 3.195 1.00 0.00 N ATOM 1077 CA VAL A 77 11.111 -4.449 2.190 1.00 0.00 C ATOM 1078 C VAL A 77 12.469 -4.736 2.821 1.00 0.00 C ATOM 1079 O VAL A 77 12.600 -4.787 4.044 1.00 0.00 O ATOM 1080 CB VAL A 77 11.178 -3.104 1.443 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.821 -2.753 0.852 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.664 -2.002 2.373 1.00 0.00 C ATOM 0 H VAL A 77 10.188 -3.770 3.946 1.00 0.00 H new ATOM 0 HA VAL A 77 10.870 -5.239 1.479 1.00 0.00 H new ATOM 0 HB VAL A 77 11.891 -3.198 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.888 -1.800 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.517 -3.531 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.085 -2.676 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.705 -1.059 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.977 -1.906 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.658 -2.251 2.744 1.00 0.00 H new ATOM 1092 N LYS A 78 13.479 -4.923 1.978 1.00 0.00 N ATOM 1093 CA LYS A 78 14.829 -5.203 2.451 1.00 0.00 C ATOM 1094 C LYS A 78 15.868 -4.516 1.571 1.00 0.00 C ATOM 1095 O LYS A 78 15.653 -4.325 0.374 1.00 0.00 O ATOM 1096 CB LYS A 78 15.081 -6.713 2.472 1.00 0.00 C ATOM 1097 CG LYS A 78 14.704 -7.374 3.786 1.00 0.00 C ATOM 1098 CD LYS A 78 14.633 -8.886 3.649 1.00 0.00 C ATOM 1099 CE LYS A 78 14.315 -9.552 4.979 1.00 0.00 C ATOM 1100 NZ LYS A 78 14.111 -11.019 4.830 1.00 0.00 N ATOM 0 H LYS A 78 13.388 -4.886 0.963 1.00 0.00 H new ATOM 0 HA LYS A 78 14.921 -4.811 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.515 -7.179 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.136 -6.900 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.436 -7.111 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.740 -6.993 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.870 -9.151 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.583 -9.263 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.128 -9.368 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.418 -9.102 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.897 -11.436 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.318 -11.195 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.975 -11.453 4.447 1.00 0.00 H new ATOM 1114 N ASP A 79 16.994 -4.147 2.172 1.00 0.00 N ATOM 1115 CA ASP A 79 18.068 -3.482 1.441 1.00 0.00 C ATOM 1116 C ASP A 79 19.270 -4.408 1.282 1.00 0.00 C ATOM 1117 O ASP A 79 19.282 -5.520 1.807 1.00 0.00 O ATOM 1118 CB ASP A 79 18.487 -2.200 2.163 1.00 0.00 C ATOM 1119 CG ASP A 79 17.376 -1.170 2.204 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.322 -1.457 2.808 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.559 -0.075 1.630 1.00 0.00 O ATOM 0 H ASP A 79 17.187 -4.297 3.162 1.00 0.00 H new ATOM 0 HA ASP A 79 17.696 -3.226 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.791 -2.443 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.357 -1.773 1.664 1.00 0.00 H new ATOM 1126 N GLU A 80 20.279 -3.939 0.554 1.00 0.00 N ATOM 1127 CA GLU A 80 21.485 -4.726 0.325 1.00 0.00 C ATOM 1128 C GLU A 80 22.019 -5.297 1.635 1.00 0.00 C ATOM 1129 O GLU A 80 22.614 -6.375 1.658 1.00 0.00 O ATOM 1130 CB GLU A 80 22.560 -3.869 -0.346 1.00 0.00 C ATOM 1131 CG GLU A 80 23.721 -4.675 -0.904 1.00 0.00 C ATOM 1132 CD GLU A 80 24.963 -3.834 -1.125 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.831 -2.704 -1.640 1.00 0.00 O ATOM 1134 OE2 GLU A 80 26.067 -4.306 -0.782 1.00 0.00 O ATOM 0 H GLU A 80 20.285 -3.019 0.113 1.00 0.00 H new ATOM 0 HA GLU A 80 21.227 -5.555 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.104 -3.297 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.943 -3.149 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.956 -5.489 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.422 -5.130 -1.848 1.00 0.00 H new ATOM 1141 N ARG A 81 21.802 -4.567 2.724 1.00 0.00 N ATOM 1142 CA ARG A 81 22.263 -4.999 4.038 1.00 0.00 C ATOM 1143 C ARG A 81 21.201 -5.846 4.735 1.00 0.00 C ATOM 1144 O ARG A 81 21.081 -5.824 5.959 1.00 0.00 O ATOM 1145 CB ARG A 81 22.613 -3.787 4.904 1.00 0.00 C ATOM 1146 CG ARG A 81 23.877 -3.068 4.462 1.00 0.00 C ATOM 1147 CD ARG A 81 23.830 -1.590 4.817 1.00 0.00 C ATOM 1148 NE ARG A 81 25.085 -0.912 4.503 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.293 0.383 4.713 1.00 0.00 C ATOM 1150 NH1 ARG A 81 24.334 1.136 5.234 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.462 0.927 4.402 1.00 0.00 N ATOM 0 H ARG A 81 21.310 -3.674 2.722 1.00 0.00 H new ATOM 0 HA ARG A 81 23.156 -5.608 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.780 -3.084 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.732 -4.112 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.744 -3.530 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.004 -3.181 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.014 -1.112 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.614 -1.479 5.880 1.00 0.00 H new ATOM 0 HE ARG A 81 25.843 -1.463 4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 81 23.434 0.721 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 81 24.496 2.130 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.202 0.351 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 81 26.621 1.922 4.564 1.00 0.00 H new ATOM 1165 N ASN A 82 20.434 -6.591 3.946 1.00 0.00 N ATOM 1166 CA ASN A 82 19.382 -7.444 4.487 1.00 0.00 C ATOM 1167 C ASN A 82 18.661 -6.753 5.641 1.00 0.00 C ATOM 1168 O ASN A 82 18.258 -7.398 6.610 1.00 0.00 O ATOM 1169 CB ASN A 82 19.969 -8.775 4.961 1.00 0.00 C ATOM 1170 CG ASN A 82 21.028 -9.309 4.016 1.00 0.00 C ATOM 1171 OD1 ASN A 82 22.197 -9.431 4.381 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.622 -9.630 2.793 1.00 0.00 N ATOM 0 H ASN A 82 20.521 -6.621 2.930 1.00 0.00 H new ATOM 0 HA ASN A 82 18.660 -7.635 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.403 -8.645 5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.168 -9.508 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.290 -9.994 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.643 -9.512 2.534 1.00 0.00 H new ATOM 1179 N LEU A 83 18.502 -5.439 5.530 1.00 0.00 N ATOM 1180 CA LEU A 83 17.830 -4.660 6.564 1.00 0.00 C ATOM 1181 C LEU A 83 16.320 -4.876 6.513 1.00 0.00 C ATOM 1182 O LEU A 83 15.674 -4.568 5.512 1.00 0.00 O ATOM 1183 CB LEU A 83 18.149 -3.173 6.398 1.00 0.00 C ATOM 1184 CG LEU A 83 19.441 -2.687 7.056 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.764 -1.268 6.614 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.329 -2.763 8.572 1.00 0.00 C ATOM 0 H LEU A 83 18.829 -4.891 4.735 1.00 0.00 H new ATOM 0 HA LEU A 83 18.195 -4.998 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.201 -2.950 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.318 -2.596 6.804 1.00 0.00 H new ATOM 0 HG LEU A 83 20.255 -3.339 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.687 -0.939 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.888 -1.243 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.949 -0.603 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.257 -2.413 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.503 -2.135 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.146 -3.795 8.872 1.00 0.00 H new ATOM 1198 N GLN A 84 15.767 -5.405 7.599 1.00 0.00 N ATOM 1199 CA GLN A 84 14.333 -5.661 7.678 1.00 0.00 C ATOM 1200 C GLN A 84 13.588 -4.429 8.183 1.00 0.00 C ATOM 1201 O GLN A 84 13.774 -4.003 9.322 1.00 0.00 O ATOM 1202 CB GLN A 84 14.056 -6.851 8.597 1.00 0.00 C ATOM 1203 CG GLN A 84 12.771 -7.591 8.263 1.00 0.00 C ATOM 1204 CD GLN A 84 12.132 -8.229 9.481 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.521 -9.319 9.901 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.144 -7.552 10.055 1.00 0.00 N ATOM 0 H GLN A 84 16.289 -5.665 8.436 1.00 0.00 H new ATOM 0 HA GLN A 84 13.975 -5.895 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.892 -7.547 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.006 -6.500 9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.064 -6.897 7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.982 -8.362 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.854 -6.652 9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.676 -7.932 10.877 1.00 0.00 H new ATOM 1215 N SER A 85 12.744 -3.862 7.326 1.00 0.00 N ATOM 1216 CA SER A 85 11.974 -2.677 7.684 1.00 0.00 C ATOM 1217 C SER A 85 10.487 -2.894 7.415 1.00 0.00 C ATOM 1218 O SER A 85 10.109 -3.754 6.620 1.00 0.00 O ATOM 1219 CB SER A 85 12.473 -1.462 6.900 1.00 0.00 C ATOM 1220 OG SER A 85 12.158 -0.256 7.573 1.00 0.00 O ATOM 0 H SER A 85 12.577 -4.204 6.380 1.00 0.00 H new ATOM 0 HA SER A 85 12.110 -2.494 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.552 -1.533 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.023 -1.456 5.907 1.00 0.00 H new ATOM 0 HG SER A 85 12.489 0.505 7.052 1.00 0.00 H new ATOM 1226 N GLN A 86 9.651 -2.108 8.085 1.00 0.00 N ATOM 1227 CA GLN A 86 8.206 -2.214 7.919 1.00 0.00 C ATOM 1228 C GLN A 86 7.564 -0.833 7.843 1.00 0.00 C ATOM 1229 O GLN A 86 8.047 0.122 8.452 1.00 0.00 O ATOM 1230 CB GLN A 86 7.596 -3.010 9.074 1.00 0.00 C ATOM 1231 CG GLN A 86 6.200 -3.536 8.780 1.00 0.00 C ATOM 1232 CD GLN A 86 5.621 -4.329 9.935 1.00 0.00 C ATOM 1233 OE1 GLN A 86 4.941 -3.779 10.802 1.00 0.00 O ATOM 1234 NE2 GLN A 86 5.887 -5.630 9.952 1.00 0.00 N ATOM 0 H GLN A 86 9.949 -1.392 8.747 1.00 0.00 H new ATOM 0 HA GLN A 86 8.011 -2.737 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.249 -3.850 9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.557 -2.377 9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.541 -2.698 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.233 -4.166 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.455 -6.044 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.523 -6.215 10.704 1.00 0.00 H new ATOM 1243 N SER A 87 6.472 -0.734 7.090 1.00 0.00 N ATOM 1244 CA SER A 87 5.766 0.532 6.931 1.00 0.00 C ATOM 1245 C SER A 87 4.334 0.300 6.460 1.00 0.00 C ATOM 1246 O SER A 87 4.102 -0.125 5.328 1.00 0.00 O ATOM 1247 CB SER A 87 6.503 1.430 5.935 1.00 0.00 C ATOM 1248 OG SER A 87 6.180 2.794 6.142 1.00 0.00 O ATOM 0 H SER A 87 6.058 -1.515 6.581 1.00 0.00 H new ATOM 0 HA SER A 87 5.735 1.027 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.579 1.288 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.241 1.141 4.917 1.00 0.00 H new ATOM 0 HG SER A 87 5.944 3.208 5.286 1.00 0.00 H new ATOM 1254 N SER A 88 3.376 0.581 7.337 1.00 0.00 N ATOM 1255 CA SER A 88 1.966 0.399 7.014 1.00 0.00 C ATOM 1256 C SER A 88 1.317 1.730 6.646 1.00 0.00 C ATOM 1257 O SER A 88 1.880 2.797 6.890 1.00 0.00 O ATOM 1258 CB SER A 88 1.227 -0.232 8.195 1.00 0.00 C ATOM 1259 OG SER A 88 1.463 0.492 9.390 1.00 0.00 O ATOM 0 H SER A 88 3.551 0.936 8.277 1.00 0.00 H new ATOM 0 HA SER A 88 1.899 -0.268 6.155 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.157 -0.258 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.552 -1.265 8.322 1.00 0.00 H new ATOM 0 HG SER A 88 0.978 0.070 10.130 1.00 0.00 H new ATOM 1265 N VAL A 89 0.127 1.659 6.058 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.601 2.857 5.657 1.00 0.00 C ATOM 1267 C VAL A 89 -2.095 2.705 5.916 1.00 0.00 C ATOM 1268 O VAL A 89 -2.688 1.674 5.601 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.379 3.176 4.166 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.814 2.004 3.299 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.124 4.444 3.777 1.00 0.00 C ATOM 0 H VAL A 89 -0.354 0.784 5.849 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.213 3.679 6.259 1.00 0.00 H new ATOM 0 HB VAL A 89 0.686 3.343 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.650 2.247 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.232 1.121 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.873 1.803 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.956 4.655 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.191 4.308 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.759 5.279 4.376 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.699 3.739 6.493 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.125 3.721 6.795 1.00 0.00 C ATOM 1283 C ASN A 90 -4.947 4.085 5.562 1.00 0.00 C ATOM 1284 O ASN A 90 -4.851 5.198 5.045 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.439 4.690 7.936 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.252 4.057 9.301 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.918 2.877 9.410 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.468 4.840 10.351 1.00 0.00 N ATOM 0 H ASN A 90 -2.222 4.600 6.761 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.393 2.710 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.795 5.565 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.467 5.040 7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.358 4.469 11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.743 5.812 10.214 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.756 3.139 5.096 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.597 3.360 3.926 1.00 0.00 C ATOM 1297 C VAL A 91 -8.063 3.502 4.320 1.00 0.00 C ATOM 1298 O VAL A 91 -8.735 2.512 4.612 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.458 2.211 2.910 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.296 2.489 1.671 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.998 2.000 2.540 1.00 0.00 C ATOM 0 H VAL A 91 -5.847 2.212 5.511 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.258 4.287 3.464 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.828 1.295 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.185 1.666 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.344 2.585 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.960 3.415 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.919 1.184 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.599 2.913 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.428 1.751 3.435 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.551 4.737 4.327 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.938 5.007 4.684 1.00 0.00 C ATOM 1313 C ILE A 92 -10.812 5.132 3.440 1.00 0.00 C ATOM 1314 O ILE A 92 -10.395 5.699 2.430 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.064 6.296 5.517 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.211 6.196 6.784 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.520 6.558 5.872 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.714 7.534 7.284 1.00 0.00 C ATOM 0 H ILE A 92 -8.007 5.567 4.090 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.280 4.162 5.282 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.700 7.133 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.796 5.718 7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.355 5.550 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.592 7.472 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.103 6.668 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.909 5.721 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.117 7.387 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.102 8.005 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.565 8.175 7.514 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.028 4.601 3.522 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.962 4.655 2.404 1.00 0.00 C ATOM 1332 C VAL A 93 -14.257 5.354 2.804 1.00 0.00 C ATOM 1333 O VAL A 93 -15.023 4.847 3.623 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.294 3.245 1.881 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.266 3.323 0.714 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -12.023 2.513 1.479 1.00 0.00 C ATOM 0 H VAL A 93 -12.389 4.129 4.351 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.475 5.223 1.612 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.772 2.682 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.489 2.317 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.188 3.805 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.819 3.903 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.277 1.518 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.515 3.071 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.366 2.424 2.344 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.496 6.523 2.219 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.699 7.294 2.511 1.00 0.00 C ATOM 1348 C LYS A 94 -16.808 6.968 1.516 1.00 0.00 C ATOM 1349 O LYS A 94 -16.570 6.323 0.497 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.390 8.792 2.476 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.836 9.330 3.783 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.321 9.221 3.833 1.00 0.00 C ATOM 1353 CE LYS A 94 -12.779 9.605 5.201 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.741 11.082 5.389 1.00 0.00 N ATOM 0 H LYS A 94 -13.872 6.958 1.539 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.041 7.024 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.672 8.988 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.301 9.336 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.131 10.373 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.269 8.778 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.021 8.201 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.883 9.868 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.400 9.156 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.775 9.198 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.920 11.336 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.663 11.548 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.613 11.394 5.862 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.021 7.421 1.820 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.166 7.178 0.951 1.00 0.00 C ATOM 1370 C GLU A 95 -19.276 8.260 -0.120 1.00 0.00 C ATOM 1371 O GLU A 95 -18.876 9.403 0.096 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.456 7.126 1.773 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.690 5.787 2.453 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.010 5.734 3.197 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.198 6.543 4.130 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.855 4.884 2.847 1.00 0.00 O ATOM 0 H GLU A 95 -18.235 7.958 2.661 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.018 6.217 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.426 7.909 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.302 7.346 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.667 4.995 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.876 5.591 3.151 1.00 0.00 H new