USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot 122:sc= 1.28 USER MOD Set 1.2: A 48 THR OG1 : rot -151:sc= 1.26 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.217 (180deg=-1.4) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0197 USER MOD Single : A 18 ASN : amide:sc= 1.38 K(o=1.4,f=-8.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.278 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 82:sc= 0.0408 USER MOD Single : A 50 SER OG : rot -4:sc= -0.0133 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.1!) USER MOD Single : A 57 GLN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 170:sc= 0 USER MOD Single : A 83 TYR OH : rot 150:sc= 0.779 USER MOD Single : A 85 CYS SG : rot -150:sc= -0.904 USER MOD Single : A 87 SER OG : rot 123:sc= -1.67 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.85 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc=-0.00206 X(o=-0.0021,f=0.23) USER MOD Single : A 101 ASN : amide:sc= -1.94 K(o=-1.9,f=-1.4) USER MOD Single : A 103 ASN : amide:sc= 0.893 K(o=0.89,f=-0.41) USER MOD Single : A 105 SER OG : rot 70:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.547 4.788 11.772 1.00 0.00 N ATOM 113 CA ALA A 10 -7.351 4.314 11.086 1.00 0.00 C ATOM 114 C ALA A 10 -7.691 3.758 9.707 1.00 0.00 C ATOM 115 O ALA A 10 -8.467 2.811 9.583 1.00 0.00 O ATOM 116 CB ALA A 10 -6.647 3.257 11.924 1.00 0.00 C ATOM 0 HA ALA A 10 -6.680 5.162 10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.756 2.912 11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.360 3.686 12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.320 2.416 12.089 1.00 0.00 H new ATOM 122 N LYS A 11 -7.104 4.354 8.674 1.00 0.00 N ATOM 123 CA LYS A 11 -7.345 3.920 7.303 1.00 0.00 C ATOM 124 C LYS A 11 -6.425 2.759 6.933 1.00 0.00 C ATOM 125 O LYS A 11 -5.202 2.871 7.021 1.00 0.00 O ATOM 126 CB LYS A 11 -7.137 5.085 6.333 1.00 0.00 C ATOM 127 CG LYS A 11 -8.436 5.678 5.808 1.00 0.00 C ATOM 128 CD LYS A 11 -8.473 7.188 5.982 1.00 0.00 C ATOM 129 CE LYS A 11 -7.790 7.900 4.826 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.478 9.172 4.472 1.00 0.00 N ATOM 0 H LYS A 11 -6.458 5.139 8.761 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.378 3.579 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.566 5.867 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.537 4.743 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.549 5.430 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.280 5.230 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.508 7.521 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.984 7.459 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.753 8.109 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.771 7.244 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.981 9.627 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.460 8.970 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.474 9.809 5.294 1.00 0.00 H new ATOM 144 N LYS A 12 -7.023 1.648 6.516 1.00 0.00 N ATOM 145 CA LYS A 12 -6.257 0.467 6.131 1.00 0.00 C ATOM 146 C LYS A 12 -5.874 0.526 4.656 1.00 0.00 C ATOM 147 O LYS A 12 -6.735 0.654 3.784 1.00 0.00 O ATOM 148 CB LYS A 12 -7.064 -0.802 6.410 1.00 0.00 C ATOM 149 CG LYS A 12 -6.917 -1.315 7.834 1.00 0.00 C ATOM 150 CD LYS A 12 -5.652 -2.142 7.999 1.00 0.00 C ATOM 151 CE LYS A 12 -4.977 -1.865 9.334 1.00 0.00 C ATOM 152 NZ LYS A 12 -3.680 -2.588 9.461 1.00 0.00 N ATOM 0 H LYS A 12 -8.034 1.540 6.436 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.343 0.446 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.117 -0.604 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.750 -1.582 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.895 -0.472 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.785 -1.920 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.896 -3.202 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.961 -1.918 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.807 -0.793 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.640 -2.164 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.452 -2.718 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.754 -3.517 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.927 -2.034 9.005 1.00 0.00 H new ATOM 166 N VAL A 13 -4.577 0.432 4.383 1.00 0.00 N ATOM 167 CA VAL A 13 -4.079 0.475 3.013 1.00 0.00 C ATOM 168 C VAL A 13 -2.969 -0.547 2.799 1.00 0.00 C ATOM 169 O VAL A 13 -2.154 -0.788 3.690 1.00 0.00 O ATOM 170 CB VAL A 13 -3.551 1.875 2.651 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.694 2.872 2.559 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.514 2.333 3.667 1.00 0.00 C ATOM 0 H VAL A 13 -3.852 0.326 5.092 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.920 0.234 2.363 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.071 1.820 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.299 3.855 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.396 2.551 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.207 2.927 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.152 3.324 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.967 2.371 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.680 1.632 3.677 1.00 0.00 H new ATOM 182 N ARG A 14 -2.941 -1.144 1.613 1.00 0.00 N ATOM 183 CA ARG A 14 -1.929 -2.140 1.280 1.00 0.00 C ATOM 184 C ARG A 14 -0.978 -1.616 0.209 1.00 0.00 C ATOM 185 O ARG A 14 -1.372 -0.826 -0.651 1.00 0.00 O ATOM 186 CB ARG A 14 -2.593 -3.432 0.801 1.00 0.00 C ATOM 187 CG ARG A 14 -1.860 -4.691 1.234 1.00 0.00 C ATOM 188 CD ARG A 14 -2.824 -5.841 1.476 1.00 0.00 C ATOM 189 NE ARG A 14 -2.296 -6.805 2.439 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.782 -8.033 2.602 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.806 -8.451 1.867 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.244 -8.845 3.500 1.00 0.00 N ATOM 0 H ARG A 14 -3.608 -0.955 0.865 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.352 -2.348 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.614 -3.468 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.658 -3.415 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.138 -4.975 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.296 -4.490 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.773 -5.448 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.029 -6.347 0.532 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.508 -6.520 3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.223 -7.830 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.175 -9.393 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.457 -8.529 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.617 -9.786 3.625 1.00 0.00 H new ATOM 206 N PHE A 15 0.273 -2.059 0.265 1.00 0.00 N ATOM 207 CA PHE A 15 1.279 -1.634 -0.701 1.00 0.00 C ATOM 208 C PHE A 15 2.057 -2.832 -1.237 1.00 0.00 C ATOM 209 O PHE A 15 2.727 -3.538 -0.483 1.00 0.00 O ATOM 210 CB PHE A 15 2.241 -0.632 -0.061 1.00 0.00 C ATOM 211 CG PHE A 15 1.581 0.652 0.356 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.221 1.600 -0.590 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.321 0.911 1.692 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.614 2.782 -0.210 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.715 2.092 2.077 1.00 0.00 C ATOM 216 CZ PHE A 15 0.360 3.028 1.125 1.00 0.00 C ATOM 0 H PHE A 15 0.615 -2.713 0.970 1.00 0.00 H new ATOM 0 HA PHE A 15 0.766 -1.153 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.705 -1.092 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.041 -0.407 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.417 1.412 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.595 0.182 2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.339 3.513 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.519 2.283 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.115 3.950 1.424 1.00 0.00 H new ATOM 226 N TYR A 16 1.966 -3.053 -2.544 1.00 0.00 N ATOM 227 CA TYR A 16 2.661 -4.166 -3.181 1.00 0.00 C ATOM 228 C TYR A 16 3.980 -3.705 -3.792 1.00 0.00 C ATOM 229 O TYR A 16 4.325 -2.524 -3.732 1.00 0.00 O ATOM 230 CB TYR A 16 1.779 -4.797 -4.260 1.00 0.00 C ATOM 231 CG TYR A 16 0.557 -5.497 -3.710 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.647 -6.775 -3.173 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.688 -4.879 -3.727 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.467 -7.418 -2.670 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.807 -5.515 -3.224 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.692 -6.784 -2.697 1.00 0.00 C ATOM 237 OH TYR A 16 -2.803 -7.421 -2.196 1.00 0.00 O ATOM 0 H TYR A 16 1.418 -2.477 -3.183 1.00 0.00 H new ATOM 0 HA TYR A 16 2.876 -4.912 -2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.460 -4.021 -4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.372 -5.513 -4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.604 -7.274 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.782 -3.886 -4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.380 -8.412 -2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.767 -5.021 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.585 -6.837 -2.290 1.00 0.00 H new ATOM 247 N ARG A 17 4.715 -4.644 -4.379 1.00 0.00 N ATOM 248 CA ARG A 17 5.997 -4.334 -5.001 1.00 0.00 C ATOM 249 C ARG A 17 5.852 -4.212 -6.515 1.00 0.00 C ATOM 250 O ARG A 17 5.443 -5.158 -7.188 1.00 0.00 O ATOM 251 CB ARG A 17 7.027 -5.413 -4.657 1.00 0.00 C ATOM 252 CG ARG A 17 8.159 -4.912 -3.774 1.00 0.00 C ATOM 253 CD ARG A 17 8.789 -6.043 -2.976 1.00 0.00 C ATOM 254 NE ARG A 17 10.233 -6.120 -3.182 1.00 0.00 N ATOM 255 CZ ARG A 17 10.966 -7.195 -2.899 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.396 -8.284 -2.401 1.00 0.00 N ATOM 257 NH2 ARG A 17 12.275 -7.179 -3.117 1.00 0.00 N ATOM 0 H ARG A 17 4.445 -5.626 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 17 6.342 -3.376 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.523 -6.238 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.447 -5.811 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.919 -4.435 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.780 -4.152 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.581 -5.898 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.331 -6.989 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 17 10.708 -5.302 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.390 -8.302 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.963 -9.104 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.718 -6.344 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.838 -8.002 -2.901 1.00 0.00 H new ATOM 271 N ASN A 18 6.190 -3.040 -7.044 1.00 0.00 N ATOM 272 CA ASN A 18 6.098 -2.795 -8.479 1.00 0.00 C ATOM 273 C ASN A 18 7.058 -3.698 -9.247 1.00 0.00 C ATOM 274 O ASN A 18 8.210 -3.336 -9.484 1.00 0.00 O ATOM 275 CB ASN A 18 6.403 -1.328 -8.786 1.00 0.00 C ATOM 276 CG ASN A 18 5.928 -0.914 -10.165 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.085 -1.579 -10.768 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.470 0.187 -10.673 1.00 0.00 N ATOM 0 H ASN A 18 6.530 -2.246 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 18 5.081 -3.022 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.927 -0.696 -8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.477 -1.159 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.191 0.513 -11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.165 0.707 -10.138 1.00 0.00 H new ATOM 285 N GLY A 19 6.573 -4.874 -9.633 1.00 0.00 N ATOM 286 CA GLY A 19 7.402 -5.811 -10.370 1.00 0.00 C ATOM 287 C GLY A 19 7.517 -7.162 -9.686 1.00 0.00 C ATOM 288 O GLY A 19 8.233 -8.044 -10.161 1.00 0.00 O ATOM 0 H GLY A 19 5.622 -5.195 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.987 -5.949 -11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.398 -5.387 -10.495 1.00 0.00 H new ATOM 292 N ASP A 20 6.814 -7.328 -8.567 1.00 0.00 N ATOM 293 CA ASP A 20 6.846 -8.583 -7.825 1.00 0.00 C ATOM 294 C ASP A 20 5.434 -9.099 -7.566 1.00 0.00 C ATOM 295 O ASP A 20 4.598 -8.391 -7.006 1.00 0.00 O ATOM 296 CB ASP A 20 7.585 -8.395 -6.499 1.00 0.00 C ATOM 297 CG ASP A 20 8.978 -7.826 -6.688 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.096 -6.731 -7.276 1.00 0.00 O ATOM 299 OD2 ASP A 20 9.950 -8.475 -6.247 1.00 0.00 O ATOM 0 H ASP A 20 6.217 -6.610 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 20 7.376 -9.320 -8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.008 -7.730 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.654 -9.354 -5.986 1.00 0.00 H new ATOM 304 N ARG A 21 5.177 -10.336 -7.978 1.00 0.00 N ATOM 305 CA ARG A 21 3.867 -10.946 -7.790 1.00 0.00 C ATOM 306 C ARG A 21 3.887 -11.933 -6.627 1.00 0.00 C ATOM 307 O ARG A 21 2.878 -12.127 -5.947 1.00 0.00 O ATOM 308 CB ARG A 21 3.425 -11.657 -9.071 1.00 0.00 C ATOM 309 CG ARG A 21 4.308 -12.835 -9.450 1.00 0.00 C ATOM 310 CD ARG A 21 4.180 -13.179 -10.926 1.00 0.00 C ATOM 311 NE ARG A 21 2.843 -13.666 -11.262 1.00 0.00 N ATOM 312 CZ ARG A 21 1.872 -12.901 -11.761 1.00 0.00 C ATOM 313 NH1 ARG A 21 2.074 -11.607 -11.980 1.00 0.00 N ATOM 314 NH2 ARG A 21 0.691 -13.434 -12.041 1.00 0.00 N ATOM 0 H ARG A 21 5.859 -10.935 -8.444 1.00 0.00 H new ATOM 0 HA ARG A 21 3.155 -10.154 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.400 -12.007 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.419 -10.939 -9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.347 -12.600 -9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.036 -13.703 -8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.405 -12.296 -11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.918 -13.938 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 21 2.640 -14.653 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.979 -11.189 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.324 -11.031 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.527 -14.427 -11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.054 -12.851 -12.423 1.00 0.00 H new ATOM 328 N TYR A 22 5.039 -12.555 -6.404 1.00 0.00 N ATOM 329 CA TYR A 22 5.190 -13.522 -5.322 1.00 0.00 C ATOM 330 C TYR A 22 4.928 -12.870 -3.968 1.00 0.00 C ATOM 331 O TYR A 22 4.456 -13.522 -3.036 1.00 0.00 O ATOM 332 CB TYR A 22 6.595 -14.129 -5.346 1.00 0.00 C ATOM 333 CG TYR A 22 6.928 -14.836 -6.641 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.615 -16.177 -6.822 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.555 -14.162 -7.680 1.00 0.00 C ATOM 336 CE1 TYR A 22 6.918 -16.826 -8.004 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.861 -14.804 -8.865 1.00 0.00 C ATOM 338 CZ TYR A 22 7.541 -16.136 -9.022 1.00 0.00 C ATOM 339 OH TYR A 22 7.843 -16.779 -10.200 1.00 0.00 O ATOM 0 H TYR A 22 5.883 -12.407 -6.958 1.00 0.00 H new ATOM 0 HA TYR A 22 4.456 -14.314 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.326 -13.339 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.691 -14.835 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.127 -16.721 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.808 -13.119 -7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.668 -17.869 -8.130 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.348 -14.265 -9.664 1.00 0.00 H new ATOM 0 HH TYR A 22 8.279 -16.151 -10.813 1.00 0.00 H new ATOM 349 N PHE A 23 5.239 -11.582 -3.865 1.00 0.00 N ATOM 350 CA PHE A 23 5.036 -10.843 -2.624 1.00 0.00 C ATOM 351 C PHE A 23 3.569 -10.865 -2.210 1.00 0.00 C ATOM 352 O PHE A 23 2.674 -10.837 -3.054 1.00 0.00 O ATOM 353 CB PHE A 23 5.511 -9.398 -2.784 1.00 0.00 C ATOM 354 CG PHE A 23 5.719 -8.686 -1.477 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.526 -9.234 -0.495 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.106 -7.467 -1.233 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.720 -8.581 0.708 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.295 -6.809 -0.033 1.00 0.00 C ATOM 359 CZ PHE A 23 6.103 -7.367 0.939 1.00 0.00 C ATOM 0 H PHE A 23 5.633 -11.028 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 23 5.622 -11.327 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.446 -9.391 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.780 -8.847 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.010 -10.183 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.473 -7.027 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.353 -9.019 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.812 -5.860 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.252 -6.855 1.878 1.00 0.00 H new ATOM 369 N LYS A 24 3.329 -10.917 -0.904 1.00 0.00 N ATOM 370 CA LYS A 24 1.969 -10.945 -0.377 1.00 0.00 C ATOM 371 C LYS A 24 1.441 -9.530 -0.161 1.00 0.00 C ATOM 372 O LYS A 24 0.241 -9.280 -0.278 1.00 0.00 O ATOM 373 CB LYS A 24 1.925 -11.723 0.940 1.00 0.00 C ATOM 374 CG LYS A 24 2.309 -13.186 0.793 1.00 0.00 C ATOM 375 CD LYS A 24 2.425 -13.870 2.146 1.00 0.00 C ATOM 376 CE LYS A 24 3.590 -14.846 2.179 1.00 0.00 C ATOM 377 NZ LYS A 24 3.938 -15.249 3.569 1.00 0.00 N ATOM 0 H LYS A 24 4.058 -10.941 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 24 1.333 -11.445 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.597 -11.249 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.920 -11.660 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.563 -13.700 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.258 -13.263 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.556 -13.119 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.499 -14.400 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.338 -15.732 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.459 -14.390 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.737 -15.915 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.204 -14.407 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.117 -15.707 4.013 1.00 0.00 H new ATOM 391 N GLY A 25 2.344 -8.608 0.155 1.00 0.00 N ATOM 392 CA GLY A 25 1.950 -7.230 0.383 1.00 0.00 C ATOM 393 C GLY A 25 2.025 -6.839 1.845 1.00 0.00 C ATOM 394 O GLY A 25 2.066 -7.701 2.723 1.00 0.00 O ATOM 0 H GLY A 25 3.342 -8.790 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.593 -6.571 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.932 -7.082 0.023 1.00 0.00 H new ATOM 398 N ILE A 26 2.043 -5.537 2.107 1.00 0.00 N ATOM 399 CA ILE A 26 2.114 -5.034 3.473 1.00 0.00 C ATOM 400 C ILE A 26 0.995 -4.033 3.748 1.00 0.00 C ATOM 401 O ILE A 26 0.543 -3.329 2.846 1.00 0.00 O ATOM 402 CB ILE A 26 3.475 -4.364 3.755 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.567 -3.935 5.221 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.682 -3.171 2.834 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.988 -3.729 5.702 1.00 0.00 C ATOM 0 H ILE A 26 2.009 -4.811 1.391 1.00 0.00 H new ATOM 0 HA ILE A 26 1.998 -5.892 4.135 1.00 0.00 H new ATOM 0 HB ILE A 26 4.265 -5.090 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.008 -3.009 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.087 -4.690 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.647 -2.710 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.660 -3.504 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.888 -2.442 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.977 -3.426 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.546 -4.660 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.465 -2.952 5.105 1.00 0.00 H new ATOM 417 N VAL A 27 0.553 -3.977 5.001 1.00 0.00 N ATOM 418 CA VAL A 27 -0.513 -3.064 5.394 1.00 0.00 C ATOM 419 C VAL A 27 0.027 -1.927 6.255 1.00 0.00 C ATOM 420 O VAL A 27 1.094 -2.044 6.856 1.00 0.00 O ATOM 421 CB VAL A 27 -1.624 -3.796 6.169 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.814 -2.877 6.395 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.047 -5.058 5.432 1.00 0.00 C ATOM 0 H VAL A 27 0.917 -4.553 5.760 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.932 -2.654 4.475 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.230 -4.087 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.588 -3.413 6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.498 -2.007 6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.210 -2.552 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.833 -5.562 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.421 -4.794 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.190 -5.724 5.329 1.00 0.00 H new ATOM 433 N TYR A 28 -0.718 -0.828 6.310 1.00 0.00 N ATOM 434 CA TYR A 28 -0.314 0.331 7.098 1.00 0.00 C ATOM 435 C TYR A 28 -1.533 1.084 7.622 1.00 0.00 C ATOM 436 O TYR A 28 -2.417 1.463 6.855 1.00 0.00 O ATOM 437 CB TYR A 28 0.556 1.267 6.258 1.00 0.00 C ATOM 438 CG TYR A 28 2.021 0.893 6.254 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.529 0.005 5.316 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.896 1.430 7.191 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.868 -0.339 5.309 1.00 0.00 C ATOM 442 CE2 TYR A 28 4.236 1.092 7.190 1.00 0.00 C ATOM 443 CZ TYR A 28 4.717 0.207 6.248 1.00 0.00 C ATOM 444 OH TYR A 28 6.050 -0.132 6.245 1.00 0.00 O ATOM 0 H TYR A 28 -1.605 -0.715 5.818 1.00 0.00 H new ATOM 0 HA TYR A 28 0.265 -0.024 7.950 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.187 1.268 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.451 2.284 6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.867 -0.425 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.523 2.122 7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.247 -1.032 4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.904 1.519 7.924 1.00 0.00 H new ATOM 0 HH TYR A 28 6.593 0.677 6.139 1.00 0.00 H new ATOM 454 N ALA A 29 -1.572 1.298 8.933 1.00 0.00 N ATOM 455 CA ALA A 29 -2.681 2.006 9.559 1.00 0.00 C ATOM 456 C ALA A 29 -2.434 3.510 9.573 1.00 0.00 C ATOM 457 O ALA A 29 -1.626 4.009 10.358 1.00 0.00 O ATOM 458 CB ALA A 29 -2.904 1.492 10.974 1.00 0.00 C ATOM 0 H ALA A 29 -0.848 0.991 9.582 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.579 1.817 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.735 2.030 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.134 0.427 10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.002 1.650 11.565 1.00 0.00 H new ATOM 464 N ILE A 30 -3.135 4.229 8.702 1.00 0.00 N ATOM 465 CA ILE A 30 -2.990 5.677 8.614 1.00 0.00 C ATOM 466 C ILE A 30 -3.765 6.374 9.728 1.00 0.00 C ATOM 467 O ILE A 30 -4.915 6.773 9.543 1.00 0.00 O ATOM 468 CB ILE A 30 -3.481 6.209 7.255 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.874 5.390 6.113 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.128 7.681 7.104 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.365 5.467 6.050 1.00 0.00 C ATOM 0 H ILE A 30 -3.809 3.832 8.047 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.927 5.896 8.720 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.566 6.109 7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.172 4.348 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.287 5.739 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.481 8.043 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.603 8.253 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.047 7.804 7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.004 4.863 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.059 6.503 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.942 5.090 6.981 1.00 0.00 H new ATOM 483 N SER A 31 -3.126 6.519 10.885 1.00 0.00 N ATOM 484 CA SER A 31 -3.754 7.169 12.029 1.00 0.00 C ATOM 485 C SER A 31 -3.080 8.505 12.334 1.00 0.00 C ATOM 486 O SER A 31 -1.879 8.666 12.121 1.00 0.00 O ATOM 487 CB SER A 31 -3.690 6.260 13.257 1.00 0.00 C ATOM 488 OG SER A 31 -4.877 5.495 13.390 1.00 0.00 O ATOM 0 H SER A 31 -2.174 6.195 11.054 1.00 0.00 H new ATOM 0 HA SER A 31 -4.798 7.358 11.780 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.832 5.593 13.175 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.541 6.863 14.152 1.00 0.00 H new ATOM 0 HG SER A 31 -4.809 4.921 14.182 1.00 0.00 H new ATOM 494 N PRO A 32 -3.849 9.485 12.840 1.00 0.00 N ATOM 495 CA PRO A 32 -3.319 10.812 13.173 1.00 0.00 C ATOM 496 C PRO A 32 -2.104 10.736 14.092 1.00 0.00 C ATOM 497 O PRO A 32 -1.073 11.354 13.827 1.00 0.00 O ATOM 498 CB PRO A 32 -4.486 11.496 13.887 1.00 0.00 C ATOM 499 CG PRO A 32 -5.703 10.804 13.376 1.00 0.00 C ATOM 500 CD PRO A 32 -5.292 9.380 13.125 1.00 0.00 C ATOM 0 HA PRO A 32 -2.974 11.345 12.287 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.400 11.398 14.969 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.515 12.563 13.665 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.515 10.854 14.102 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.064 11.273 12.461 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.485 8.748 13.991 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.837 8.947 12.286 1.00 0.00 H new ATOM 508 N ASP A 33 -2.233 9.974 15.173 1.00 0.00 N ATOM 509 CA ASP A 33 -1.145 9.818 16.132 1.00 0.00 C ATOM 510 C ASP A 33 0.019 9.048 15.516 1.00 0.00 C ATOM 511 O ASP A 33 1.183 9.322 15.811 1.00 0.00 O ATOM 512 CB ASP A 33 -1.643 9.099 17.387 1.00 0.00 C ATOM 513 CG ASP A 33 -1.156 9.758 18.662 1.00 0.00 C ATOM 514 OD1 ASP A 33 -1.341 10.985 18.804 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.590 9.047 19.520 1.00 0.00 O ATOM 0 H ASP A 33 -3.079 9.455 15.407 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.792 10.812 16.408 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.733 9.081 17.384 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.307 8.062 17.366 1.00 0.00 H new ATOM 520 N ARG A 34 -0.303 8.085 14.659 1.00 0.00 N ATOM 521 CA ARG A 34 0.717 7.275 14.001 1.00 0.00 C ATOM 522 C ARG A 34 1.452 8.086 12.939 1.00 0.00 C ATOM 523 O ARG A 34 2.628 8.414 13.096 1.00 0.00 O ATOM 524 CB ARG A 34 0.084 6.034 13.369 1.00 0.00 C ATOM 525 CG ARG A 34 0.884 4.762 13.595 1.00 0.00 C ATOM 526 CD ARG A 34 0.305 3.593 12.814 1.00 0.00 C ATOM 527 NE ARG A 34 1.229 2.463 12.753 1.00 0.00 N ATOM 528 CZ ARG A 34 1.410 1.599 13.750 1.00 0.00 C ATOM 529 NH1 ARG A 34 0.734 1.733 14.884 1.00 0.00 N ATOM 530 NH2 ARG A 34 2.271 0.599 13.612 1.00 0.00 N ATOM 0 H ARG A 34 -1.261 7.846 14.404 1.00 0.00 H new ATOM 0 HA ARG A 34 1.439 6.960 14.755 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.918 5.900 13.776 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.026 6.198 12.297 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.919 4.924 13.295 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.894 4.521 14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.628 3.274 13.278 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.062 3.918 11.802 1.00 0.00 H new ATOM 0 HE ARG A 34 1.767 2.328 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.072 2.501 14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.877 1.068 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.794 0.492 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.410 -0.063 14.375 1.00 0.00 H new ATOM 544 N PHE A 35 0.751 8.406 11.856 1.00 0.00 N ATOM 545 CA PHE A 35 1.336 9.179 10.766 1.00 0.00 C ATOM 546 C PHE A 35 0.728 10.577 10.704 1.00 0.00 C ATOM 547 O PHE A 35 -0.466 10.733 10.451 1.00 0.00 O ATOM 548 CB PHE A 35 1.128 8.461 9.432 1.00 0.00 C ATOM 549 CG PHE A 35 1.819 7.129 9.353 1.00 0.00 C ATOM 550 CD1 PHE A 35 1.175 5.974 9.767 1.00 0.00 C ATOM 551 CD2 PHE A 35 3.112 7.033 8.865 1.00 0.00 C ATOM 552 CE1 PHE A 35 1.809 4.748 9.696 1.00 0.00 C ATOM 553 CE2 PHE A 35 3.751 5.809 8.791 1.00 0.00 C ATOM 554 CZ PHE A 35 3.098 4.665 9.207 1.00 0.00 C ATOM 0 H PHE A 35 -0.223 8.142 11.710 1.00 0.00 H new ATOM 0 HA PHE A 35 2.405 9.274 10.955 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.060 8.317 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.491 9.098 8.625 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.167 6.032 10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.627 7.924 8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.297 3.855 10.023 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.759 5.747 8.409 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.594 3.708 9.150 1.00 0.00 H new ATOM 564 N ARG A 36 1.557 11.589 10.939 1.00 0.00 N ATOM 565 CA ARG A 36 1.100 12.973 10.910 1.00 0.00 C ATOM 566 C ARG A 36 1.190 13.548 9.500 1.00 0.00 C ATOM 567 O ARG A 36 0.388 14.398 9.113 1.00 0.00 O ATOM 568 CB ARG A 36 1.926 13.825 11.874 1.00 0.00 C ATOM 569 CG ARG A 36 1.284 15.161 12.209 1.00 0.00 C ATOM 570 CD ARG A 36 0.267 15.026 13.331 1.00 0.00 C ATOM 571 NE ARG A 36 0.895 14.655 14.597 1.00 0.00 N ATOM 572 CZ ARG A 36 0.312 14.802 15.785 1.00 0.00 C ATOM 573 NH1 ARG A 36 -0.911 15.309 15.872 1.00 0.00 N ATOM 574 NH2 ARG A 36 0.953 14.440 16.887 1.00 0.00 N ATOM 0 H ARG A 36 2.548 11.476 11.152 1.00 0.00 H new ATOM 0 HA ARG A 36 0.056 12.990 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.083 13.266 12.796 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.909 14.003 11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.056 15.874 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.796 15.564 11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.265 15.969 13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.474 14.274 13.060 1.00 0.00 H new ATOM 0 HE ARG A 36 1.835 14.260 14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.409 15.588 15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.353 15.420 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.893 14.049 16.825 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.506 14.553 17.797 1.00 0.00 H new ATOM 588 N SER A 37 2.173 13.080 8.737 1.00 0.00 N ATOM 589 CA SER A 37 2.368 13.549 7.371 1.00 0.00 C ATOM 590 C SER A 37 2.883 12.425 6.477 1.00 0.00 C ATOM 591 O SER A 37 3.295 11.372 6.964 1.00 0.00 O ATOM 592 CB SER A 37 3.347 14.724 7.347 1.00 0.00 C ATOM 593 OG SER A 37 4.253 14.655 8.435 1.00 0.00 O ATOM 0 H SER A 37 2.846 12.377 9.042 1.00 0.00 H new ATOM 0 HA SER A 37 1.403 13.881 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.900 14.721 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.795 15.663 7.389 1.00 0.00 H new ATOM 0 HG SER A 37 4.869 15.416 8.396 1.00 0.00 H new ATOM 599 N PHE A 38 2.854 12.655 5.168 1.00 0.00 N ATOM 600 CA PHE A 38 3.317 11.662 4.206 1.00 0.00 C ATOM 601 C PHE A 38 4.790 11.332 4.428 1.00 0.00 C ATOM 602 O PHE A 38 5.245 10.233 4.107 1.00 0.00 O ATOM 603 CB PHE A 38 3.105 12.167 2.778 1.00 0.00 C ATOM 604 CG PHE A 38 2.830 11.069 1.790 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.700 10.276 1.913 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.700 10.832 0.738 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.444 9.265 1.005 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.450 9.824 -0.172 1.00 0.00 C ATOM 609 CZ PHE A 38 2.320 9.039 -0.039 1.00 0.00 C ATOM 0 H PHE A 38 2.514 13.521 4.749 1.00 0.00 H new ATOM 0 HA PHE A 38 2.734 10.753 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.272 12.870 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.990 12.718 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.012 10.450 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.584 11.443 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.561 8.653 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.137 9.649 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.122 8.250 -0.750 1.00 0.00 H new ATOM 619 N GLU A 39 5.533 12.290 4.977 1.00 0.00 N ATOM 620 CA GLU A 39 6.956 12.098 5.239 1.00 0.00 C ATOM 621 C GLU A 39 7.189 10.877 6.124 1.00 0.00 C ATOM 622 O GLU A 39 8.149 10.131 5.927 1.00 0.00 O ATOM 623 CB GLU A 39 7.544 13.343 5.905 1.00 0.00 C ATOM 624 CG GLU A 39 7.380 14.610 5.081 1.00 0.00 C ATOM 625 CD GLU A 39 8.490 15.613 5.327 1.00 0.00 C ATOM 626 OE1 GLU A 39 9.578 15.450 4.735 1.00 0.00 O ATOM 627 OE2 GLU A 39 8.271 16.560 6.110 1.00 0.00 O ATOM 0 H GLU A 39 5.174 13.205 5.248 1.00 0.00 H new ATOM 0 HA GLU A 39 7.456 11.932 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.066 13.486 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.605 13.177 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.358 14.350 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.420 15.070 5.316 1.00 0.00 H new ATOM 634 N ALA A 40 6.305 10.679 7.096 1.00 0.00 N ATOM 635 CA ALA A 40 6.415 9.548 8.010 1.00 0.00 C ATOM 636 C ALA A 40 5.991 8.252 7.330 1.00 0.00 C ATOM 637 O ALA A 40 6.542 7.185 7.604 1.00 0.00 O ATOM 638 CB ALA A 40 5.575 9.793 9.254 1.00 0.00 C ATOM 0 H ALA A 40 5.505 11.287 7.271 1.00 0.00 H new ATOM 0 HA ALA A 40 7.460 9.449 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.666 8.941 9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.925 10.694 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.531 9.920 8.969 1.00 0.00 H new ATOM 644 N LEU A 41 5.007 8.349 6.441 1.00 0.00 N ATOM 645 CA LEU A 41 4.507 7.184 5.722 1.00 0.00 C ATOM 646 C LEU A 41 5.512 6.718 4.673 1.00 0.00 C ATOM 647 O LEU A 41 5.603 5.528 4.371 1.00 0.00 O ATOM 648 CB LEU A 41 3.169 7.506 5.055 1.00 0.00 C ATOM 649 CG LEU A 41 2.521 6.341 4.305 1.00 0.00 C ATOM 650 CD1 LEU A 41 1.904 5.354 5.283 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.473 6.853 3.329 1.00 0.00 C ATOM 0 H LEU A 41 4.540 9.224 6.202 1.00 0.00 H new ATOM 0 HA LEU A 41 4.362 6.379 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.475 7.857 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.318 8.330 4.357 1.00 0.00 H new ATOM 0 HG LEU A 41 3.295 5.823 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.448 4.532 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.679 4.963 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.143 5.859 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.022 6.011 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.701 7.395 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.943 7.521 2.607 1.00 0.00 H new ATOM 663 N LEU A 42 6.263 7.664 4.119 1.00 0.00 N ATOM 664 CA LEU A 42 7.261 7.350 3.103 1.00 0.00 C ATOM 665 C LEU A 42 8.495 6.709 3.729 1.00 0.00 C ATOM 666 O LEU A 42 9.023 5.724 3.216 1.00 0.00 O ATOM 667 CB LEU A 42 7.659 8.616 2.342 1.00 0.00 C ATOM 668 CG LEU A 42 6.660 9.075 1.279 1.00 0.00 C ATOM 669 CD1 LEU A 42 6.944 10.509 0.863 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.704 8.148 0.073 1.00 0.00 C ATOM 0 H LEU A 42 6.200 8.654 4.356 1.00 0.00 H new ATOM 0 HA LEU A 42 6.820 6.638 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.799 9.424 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.623 8.445 1.863 1.00 0.00 H new ATOM 0 HG LEU A 42 5.658 9.036 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.223 10.818 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.861 11.163 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.952 10.576 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.987 8.489 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.706 8.156 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.450 7.135 0.384 1.00 0.00 H new ATOM 682 N ALA A 43 8.950 7.275 4.842 1.00 0.00 N ATOM 683 CA ALA A 43 10.122 6.759 5.538 1.00 0.00 C ATOM 684 C ALA A 43 9.881 5.339 6.041 1.00 0.00 C ATOM 685 O ALA A 43 10.800 4.521 6.082 1.00 0.00 O ATOM 686 CB ALA A 43 10.495 7.674 6.694 1.00 0.00 C ATOM 0 H ALA A 43 8.524 8.091 5.281 1.00 0.00 H new ATOM 0 HA ALA A 43 10.950 6.730 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.372 7.276 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.718 8.670 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.662 7.732 7.395 1.00 0.00 H new ATOM 692 N ASP A 44 8.640 5.055 6.422 1.00 0.00 N ATOM 693 CA ASP A 44 8.280 3.734 6.922 1.00 0.00 C ATOM 694 C ASP A 44 8.197 2.723 5.782 1.00 0.00 C ATOM 695 O ASP A 44 8.558 1.558 5.945 1.00 0.00 O ATOM 696 CB ASP A 44 6.943 3.794 7.663 1.00 0.00 C ATOM 697 CG ASP A 44 7.111 4.132 9.132 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.228 3.950 9.658 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.124 4.578 9.755 1.00 0.00 O ATOM 0 H ASP A 44 7.868 5.721 6.394 1.00 0.00 H new ATOM 0 HA ASP A 44 9.058 3.411 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.303 4.540 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.435 2.834 7.570 1.00 0.00 H new ATOM 704 N LEU A 45 7.720 3.179 4.629 1.00 0.00 N ATOM 705 CA LEU A 45 7.590 2.315 3.461 1.00 0.00 C ATOM 706 C LEU A 45 8.958 1.980 2.877 1.00 0.00 C ATOM 707 O LEU A 45 9.159 0.901 2.319 1.00 0.00 O ATOM 708 CB LEU A 45 6.718 2.987 2.397 1.00 0.00 C ATOM 709 CG LEU A 45 5.211 2.852 2.616 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.451 3.771 1.672 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.773 1.408 2.424 1.00 0.00 C ATOM 0 H LEU A 45 7.417 4.141 4.478 1.00 0.00 H new ATOM 0 HA LEU A 45 7.114 1.387 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.971 4.047 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.968 2.564 1.424 1.00 0.00 H new ATOM 0 HG LEU A 45 4.983 3.147 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.380 3.662 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.744 4.805 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.684 3.506 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.698 1.330 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.014 1.086 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.293 0.772 3.140 1.00 0.00 H new ATOM 723 N THR A 46 9.896 2.912 3.008 1.00 0.00 N ATOM 724 CA THR A 46 11.246 2.715 2.493 1.00 0.00 C ATOM 725 C THR A 46 12.000 1.680 3.321 1.00 0.00 C ATOM 726 O THR A 46 12.863 0.969 2.807 1.00 0.00 O ATOM 727 CB THR A 46 12.012 4.040 2.492 1.00 0.00 C ATOM 728 OG1 THR A 46 11.166 5.108 2.105 1.00 0.00 O ATOM 729 CG2 THR A 46 13.207 4.040 1.564 1.00 0.00 C ATOM 0 H THR A 46 9.746 3.811 3.466 1.00 0.00 H new ATOM 0 HA THR A 46 11.167 2.347 1.470 1.00 0.00 H new ATOM 0 HB THR A 46 12.367 4.169 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.646 5.410 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.705 5.009 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.904 3.259 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.875 3.853 0.543 1.00 0.00 H new ATOM 737 N ARG A 47 11.669 1.600 4.605 1.00 0.00 N ATOM 738 CA ARG A 47 12.316 0.651 5.504 1.00 0.00 C ATOM 739 C ARG A 47 11.861 -0.775 5.213 1.00 0.00 C ATOM 740 O ARG A 47 12.608 -1.731 5.424 1.00 0.00 O ATOM 741 CB ARG A 47 12.013 1.008 6.961 1.00 0.00 C ATOM 742 CG ARG A 47 13.087 0.550 7.935 1.00 0.00 C ATOM 743 CD ARG A 47 12.509 0.273 9.315 1.00 0.00 C ATOM 744 NE ARG A 47 13.048 1.180 10.325 1.00 0.00 N ATOM 745 CZ ARG A 47 12.500 1.364 11.524 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.399 0.706 11.867 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.054 2.208 12.384 1.00 0.00 N ATOM 0 H ARG A 47 10.956 2.181 5.047 1.00 0.00 H new ATOM 0 HA ARG A 47 13.392 0.710 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.895 2.088 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.061 0.560 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.566 -0.352 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.861 1.314 8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.424 0.372 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.726 -0.757 9.599 1.00 0.00 H new ATOM 0 HE ARG A 47 13.894 1.703 10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.968 0.055 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.984 0.851 12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.900 2.716 12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.634 2.349 13.303 1.00 0.00 H new ATOM 761 N THR A 48 10.631 -0.913 4.727 1.00 0.00 N ATOM 762 CA THR A 48 10.078 -2.224 4.408 1.00 0.00 C ATOM 763 C THR A 48 10.189 -2.514 2.914 1.00 0.00 C ATOM 764 O THR A 48 11.044 -3.289 2.485 1.00 0.00 O ATOM 765 CB THR A 48 8.615 -2.304 4.849 1.00 0.00 C ATOM 766 OG1 THR A 48 8.017 -1.020 4.839 1.00 0.00 O ATOM 767 CG2 THR A 48 8.440 -2.882 6.236 1.00 0.00 C ATOM 0 H THR A 48 9.999 -0.133 4.546 1.00 0.00 H new ATOM 0 HA THR A 48 10.655 -2.975 4.948 1.00 0.00 H new ATOM 0 HB THR A 48 8.133 -2.969 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.307 -0.984 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.380 -2.911 6.487 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.847 -3.893 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.967 -2.259 6.959 1.00 0.00 H new ATOM 775 N LEU A 49 9.319 -1.889 2.128 1.00 0.00 N ATOM 776 CA LEU A 49 9.320 -2.082 0.682 1.00 0.00 C ATOM 777 C LEU A 49 10.439 -1.281 0.025 1.00 0.00 C ATOM 778 O LEU A 49 10.224 -0.163 -0.441 1.00 0.00 O ATOM 779 CB LEU A 49 7.969 -1.673 0.092 1.00 0.00 C ATOM 780 CG LEU A 49 6.747 -2.220 0.831 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.473 -1.579 0.304 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.680 -3.735 0.698 1.00 0.00 C ATOM 0 H LEU A 49 8.605 -1.245 2.467 1.00 0.00 H new ATOM 0 HA LEU A 49 9.491 -3.140 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.910 -0.585 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.927 -2.006 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 49 6.842 -1.971 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.614 -1.981 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.521 -0.500 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.369 -1.796 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.805 -4.109 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.607 -4.005 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.580 -4.178 1.125 1.00 0.00 H new ATOM 794 N SER A 50 11.634 -1.862 -0.008 1.00 0.00 N ATOM 795 CA SER A 50 12.789 -1.203 -0.608 1.00 0.00 C ATOM 796 C SER A 50 14.013 -2.113 -0.576 1.00 0.00 C ATOM 797 O SER A 50 14.257 -2.808 0.411 1.00 0.00 O ATOM 798 CB SER A 50 13.095 0.106 0.123 1.00 0.00 C ATOM 799 OG SER A 50 13.854 0.981 -0.694 1.00 0.00 O ATOM 0 H SER A 50 11.828 -2.788 0.374 1.00 0.00 H new ATOM 0 HA SER A 50 12.548 -0.983 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.163 0.591 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.643 -0.106 1.041 1.00 0.00 H new ATOM 0 HG SER A 50 14.082 0.529 -1.533 1.00 0.00 H new ATOM 805 N ASP A 51 14.778 -2.104 -1.662 1.00 0.00 N ATOM 806 CA ASP A 51 15.977 -2.929 -1.759 1.00 0.00 C ATOM 807 C ASP A 51 16.946 -2.356 -2.790 1.00 0.00 C ATOM 808 O ASP A 51 16.683 -1.316 -3.394 1.00 0.00 O ATOM 809 CB ASP A 51 15.605 -4.367 -2.130 1.00 0.00 C ATOM 810 CG ASP A 51 15.828 -5.334 -0.985 1.00 0.00 C ATOM 811 OD1 ASP A 51 14.978 -5.378 -0.070 1.00 0.00 O ATOM 812 OD2 ASP A 51 16.852 -6.050 -1.003 1.00 0.00 O ATOM 0 H ASP A 51 14.590 -1.535 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 51 16.469 -2.931 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.559 -4.402 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.197 -4.683 -2.989 1.00 0.00 H new ATOM 817 N ASN A 52 18.067 -3.042 -2.985 1.00 0.00 N ATOM 818 CA ASN A 52 19.075 -2.602 -3.942 1.00 0.00 C ATOM 819 C ASN A 52 18.940 -3.358 -5.260 1.00 0.00 C ATOM 820 O ASN A 52 19.927 -3.597 -5.955 1.00 0.00 O ATOM 821 CB ASN A 52 20.479 -2.802 -3.361 1.00 0.00 C ATOM 822 CG ASN A 52 21.182 -1.487 -3.086 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.105 -0.948 -1.984 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.874 -0.965 -4.093 1.00 0.00 N ATOM 0 H ASN A 52 18.300 -3.905 -2.493 1.00 0.00 H new ATOM 0 HA ASN A 52 18.919 -1.541 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.409 -3.374 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 52 21.076 -3.392 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.369 -0.082 -3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.910 -1.447 -4.991 1.00 0.00 H new ATOM 831 N VAL A 53 17.709 -3.731 -5.599 1.00 0.00 N ATOM 832 CA VAL A 53 17.446 -4.460 -6.833 1.00 0.00 C ATOM 833 C VAL A 53 16.273 -3.850 -7.595 1.00 0.00 C ATOM 834 O VAL A 53 16.341 -3.659 -8.808 1.00 0.00 O ATOM 835 CB VAL A 53 17.146 -5.944 -6.557 1.00 0.00 C ATOM 836 CG1 VAL A 53 17.073 -6.727 -7.858 1.00 0.00 C ATOM 837 CG2 VAL A 53 18.193 -6.537 -5.627 1.00 0.00 C ATOM 0 H VAL A 53 16.880 -3.540 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 53 18.348 -4.386 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 53 16.176 -6.013 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.860 -7.774 -7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.281 -6.318 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.026 -6.652 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.964 -7.587 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.177 -6.456 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.189 -5.994 -4.682 1.00 0.00 H new ATOM 847 N ASN A 54 15.198 -3.549 -6.875 1.00 0.00 N ATOM 848 CA ASN A 54 14.010 -2.963 -7.485 1.00 0.00 C ATOM 849 C ASN A 54 13.896 -1.480 -7.146 1.00 0.00 C ATOM 850 O ASN A 54 13.706 -0.644 -8.030 1.00 0.00 O ATOM 851 CB ASN A 54 12.755 -3.704 -7.021 1.00 0.00 C ATOM 852 CG ASN A 54 12.290 -4.738 -8.028 1.00 0.00 C ATOM 853 OD1 ASN A 54 12.565 -4.627 -9.222 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.579 -5.753 -7.548 1.00 0.00 N ATOM 0 H ASN A 54 15.125 -3.701 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 54 14.102 -3.061 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.957 -4.193 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.955 -2.985 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.238 -6.480 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.374 -5.805 -6.550 1.00 0.00 H new ATOM 861 N LEU A 55 14.013 -1.158 -5.862 1.00 0.00 N ATOM 862 CA LEU A 55 13.920 0.225 -5.409 1.00 0.00 C ATOM 863 C LEU A 55 15.155 0.620 -4.601 1.00 0.00 C ATOM 864 O LEU A 55 15.102 0.711 -3.374 1.00 0.00 O ATOM 865 CB LEU A 55 12.659 0.423 -4.566 1.00 0.00 C ATOM 866 CG LEU A 55 11.382 -0.172 -5.162 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.459 -0.669 -4.060 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.673 0.854 -6.032 1.00 0.00 C ATOM 0 H LEU A 55 14.172 -1.836 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 55 13.865 0.866 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.824 -0.020 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.507 1.491 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 55 11.657 -1.022 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.556 -1.089 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.968 -1.437 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.190 0.162 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.767 0.414 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.411 1.723 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.333 1.161 -6.843 1.00 0.00 H new ATOM 880 N PRO A 56 16.289 0.862 -5.281 1.00 0.00 N ATOM 881 CA PRO A 56 17.540 1.249 -4.620 1.00 0.00 C ATOM 882 C PRO A 56 17.380 2.511 -3.777 1.00 0.00 C ATOM 883 O PRO A 56 17.629 2.499 -2.572 1.00 0.00 O ATOM 884 CB PRO A 56 18.503 1.505 -5.784 1.00 0.00 C ATOM 885 CG PRO A 56 17.932 0.743 -6.930 1.00 0.00 C ATOM 886 CD PRO A 56 16.442 0.777 -6.744 1.00 0.00 C ATOM 0 HA PRO A 56 17.886 0.481 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.573 2.569 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.510 1.164 -5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.218 1.194 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.301 -0.282 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.993 1.633 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.965 -0.116 -7.148 1.00 0.00 H new ATOM 894 N GLN A 57 16.965 3.597 -4.420 1.00 0.00 N ATOM 895 CA GLN A 57 16.773 4.868 -3.732 1.00 0.00 C ATOM 896 C GLN A 57 15.718 4.739 -2.636 1.00 0.00 C ATOM 897 O GLN A 57 15.984 5.026 -1.469 1.00 0.00 O ATOM 898 CB GLN A 57 16.363 5.955 -4.729 1.00 0.00 C ATOM 899 CG GLN A 57 17.490 6.910 -5.084 1.00 0.00 C ATOM 900 CD GLN A 57 18.588 6.243 -5.891 1.00 0.00 C ATOM 901 OE1 GLN A 57 19.754 6.245 -5.495 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.219 5.667 -7.029 1.00 0.00 N ATOM 0 H GLN A 57 16.755 3.622 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 57 17.719 5.149 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.998 5.482 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.533 6.525 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.086 7.748 -5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.915 7.320 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.241 5.690 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 57 18.913 5.202 -7.614 1.00 0.00 H new ATOM 911 N GLY A 58 14.521 4.307 -3.021 1.00 0.00 N ATOM 912 CA GLY A 58 13.446 4.149 -2.060 1.00 0.00 C ATOM 913 C GLY A 58 12.084 4.419 -2.665 1.00 0.00 C ATOM 914 O GLY A 58 11.943 4.498 -3.886 1.00 0.00 O ATOM 0 H GLY A 58 14.277 4.064 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.468 3.136 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.609 4.827 -1.222 1.00 0.00 H new ATOM 918 N VAL A 59 11.076 4.561 -1.810 1.00 0.00 N ATOM 919 CA VAL A 59 9.717 4.823 -2.267 1.00 0.00 C ATOM 920 C VAL A 59 9.443 6.323 -2.347 1.00 0.00 C ATOM 921 O VAL A 59 9.832 7.082 -1.460 1.00 0.00 O ATOM 922 CB VAL A 59 8.676 4.166 -1.339 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.777 4.731 0.069 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.270 4.349 -1.895 1.00 0.00 C ATOM 0 H VAL A 59 11.175 4.499 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 59 9.627 4.389 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 59 8.887 3.098 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.033 4.253 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.773 4.540 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.597 5.806 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.550 3.878 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.047 5.413 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.205 3.887 -2.880 1.00 0.00 H new ATOM 934 N ARG A 60 8.772 6.741 -3.415 1.00 0.00 N ATOM 935 CA ARG A 60 8.446 8.148 -3.611 1.00 0.00 C ATOM 936 C ARG A 60 7.035 8.308 -4.168 1.00 0.00 C ATOM 937 O ARG A 60 6.227 9.066 -3.632 1.00 0.00 O ATOM 938 CB ARG A 60 9.457 8.801 -4.555 1.00 0.00 C ATOM 939 CG ARG A 60 10.658 9.401 -3.842 1.00 0.00 C ATOM 940 CD ARG A 60 10.609 10.920 -3.845 1.00 0.00 C ATOM 941 NE ARG A 60 10.565 11.464 -5.200 1.00 0.00 N ATOM 942 CZ ARG A 60 10.693 12.759 -5.485 1.00 0.00 C ATOM 943 NH1 ARG A 60 10.875 13.644 -4.513 1.00 0.00 N ATOM 944 NH2 ARG A 60 10.641 13.168 -6.744 1.00 0.00 N ATOM 0 H ARG A 60 8.443 6.125 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 60 8.492 8.644 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.805 8.057 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.956 9.583 -5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.690 9.039 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.575 9.065 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.732 11.255 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.483 11.312 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 60 10.428 10.814 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.917 13.334 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.972 14.634 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.503 12.491 -7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.739 14.159 -6.963 1.00 0.00 H new ATOM 958 N THR A 61 6.746 7.588 -5.247 1.00 0.00 N ATOM 959 CA THR A 61 5.432 7.649 -5.877 1.00 0.00 C ATOM 960 C THR A 61 4.686 6.330 -5.707 1.00 0.00 C ATOM 961 O THR A 61 5.209 5.263 -6.030 1.00 0.00 O ATOM 962 CB THR A 61 5.571 7.983 -7.364 1.00 0.00 C ATOM 963 OG1 THR A 61 6.635 8.894 -7.576 1.00 0.00 O ATOM 964 CG2 THR A 61 4.320 8.590 -7.960 1.00 0.00 C ATOM 0 H THR A 61 7.404 6.956 -5.703 1.00 0.00 H new ATOM 0 HA THR A 61 4.858 8.436 -5.388 1.00 0.00 H new ATOM 0 HB THR A 61 5.763 7.030 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.709 9.094 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.486 8.803 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.491 7.890 -7.857 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.080 9.516 -7.437 1.00 0.00 H new ATOM 972 N ILE A 62 3.461 6.409 -5.199 1.00 0.00 N ATOM 973 CA ILE A 62 2.642 5.222 -4.986 1.00 0.00 C ATOM 974 C ILE A 62 1.367 5.277 -5.820 1.00 0.00 C ATOM 975 O ILE A 62 0.430 6.005 -5.493 1.00 0.00 O ATOM 976 CB ILE A 62 2.264 5.059 -3.501 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.504 5.195 -2.617 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.588 3.715 -3.271 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.184 5.464 -1.162 1.00 0.00 C ATOM 0 H ILE A 62 3.013 7.284 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 62 3.240 4.365 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 62 1.562 5.848 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.093 4.280 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.126 6.005 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.327 3.615 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.684 3.654 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.269 2.912 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.111 5.549 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.622 6.394 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.588 4.643 -0.763 1.00 0.00 H new ATOM 991 N TYR A 63 1.339 4.501 -6.899 1.00 0.00 N ATOM 992 CA TYR A 63 0.178 4.460 -7.781 1.00 0.00 C ATOM 993 C TYR A 63 -0.861 3.469 -7.265 1.00 0.00 C ATOM 994 O TYR A 63 -0.552 2.591 -6.461 1.00 0.00 O ATOM 995 CB TYR A 63 0.601 4.080 -9.200 1.00 0.00 C ATOM 996 CG TYR A 63 1.739 4.919 -9.738 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.492 6.113 -10.405 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.059 4.517 -9.579 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.528 6.882 -10.898 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.101 5.282 -10.068 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.830 6.462 -10.727 1.00 0.00 C ATOM 1002 OH TYR A 63 4.865 7.226 -11.217 1.00 0.00 O ATOM 0 H TYR A 63 2.107 3.892 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.269 5.454 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.896 3.031 -9.213 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.257 4.178 -9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.473 6.445 -10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.275 3.592 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.319 7.807 -11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.122 4.957 -9.935 1.00 0.00 H new ATOM 0 HH TYR A 63 5.719 6.790 -11.012 1.00 0.00 H new ATOM 1012 N THR A 64 -2.096 3.618 -7.735 1.00 0.00 N ATOM 1013 CA THR A 64 -3.182 2.736 -7.321 1.00 0.00 C ATOM 1014 C THR A 64 -2.942 1.312 -7.813 1.00 0.00 C ATOM 1015 O THR A 64 -1.923 1.024 -8.440 1.00 0.00 O ATOM 1016 CB THR A 64 -4.519 3.254 -7.855 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.352 3.857 -9.125 1.00 0.00 O ATOM 1018 CG2 THR A 64 -5.171 4.272 -6.945 1.00 0.00 C ATOM 0 H THR A 64 -2.369 4.340 -8.402 1.00 0.00 H new ATOM 0 HA THR A 64 -3.214 2.725 -6.232 1.00 0.00 H new ATOM 0 HB THR A 64 -5.165 2.378 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.218 4.180 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.115 4.599 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.359 3.821 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.510 5.130 -6.826 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.888 0.424 -7.526 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.779 -0.970 -7.938 1.00 0.00 C ATOM 1028 C ILE A 65 -4.095 -1.132 -9.424 1.00 0.00 C ATOM 1029 O ILE A 65 -3.634 -2.075 -10.066 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.720 -1.875 -7.116 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.532 -3.344 -7.509 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.169 -1.448 -7.302 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -4.273 -4.257 -6.331 1.00 0.00 C ATOM 0 H ILE A 65 -4.739 0.645 -7.009 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.748 -1.275 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.466 -1.769 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.422 -3.688 -8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.699 -3.421 -8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.818 -2.098 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.290 -0.417 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.438 -1.523 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.150 -5.281 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.366 -3.939 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.116 -4.210 -5.642 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.882 -0.206 -9.964 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.257 -0.250 -11.373 1.00 0.00 C ATOM 1047 C ASP A 66 -4.161 0.353 -12.246 1.00 0.00 C ATOM 1048 O ASP A 66 -3.969 -0.056 -13.390 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.573 0.498 -11.596 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.777 -0.421 -11.531 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.987 -1.193 -12.490 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.510 -0.369 -10.521 1.00 0.00 O ATOM 0 H ASP A 66 -5.272 0.583 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.389 -1.294 -11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.675 1.280 -10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.548 0.991 -12.568 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.445 1.331 -11.698 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.378 1.975 -12.440 1.00 0.00 C ATOM 1059 C GLY A 67 -2.870 3.154 -13.256 1.00 0.00 C ATOM 1060 O GLY A 67 -2.699 3.189 -14.475 1.00 0.00 O ATOM 0 H GLY A 67 -3.586 1.688 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.609 2.313 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.910 1.248 -13.103 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.485 4.120 -12.584 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.004 5.307 -13.255 1.00 0.00 C ATOM 1066 C LEU A 68 -3.652 6.570 -12.477 1.00 0.00 C ATOM 1067 O LEU A 68 -3.021 7.483 -13.010 1.00 0.00 O ATOM 1068 CB LEU A 68 -5.522 5.202 -13.420 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.026 3.847 -13.920 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -7.414 3.558 -13.371 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.033 3.810 -15.441 1.00 0.00 C ATOM 0 H LEU A 68 -3.637 4.105 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.541 5.368 -14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.992 5.416 -12.460 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.851 5.974 -14.115 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.348 3.073 -13.561 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.756 2.590 -13.737 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.378 3.542 -12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.104 4.335 -13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.394 2.839 -15.780 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.688 4.594 -15.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.021 3.971 -15.814 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.065 6.617 -11.214 1.00 0.00 N ATOM 1084 CA LYS A 69 -3.792 7.769 -10.363 1.00 0.00 C ATOM 1085 C LYS A 69 -2.543 7.538 -9.518 1.00 0.00 C ATOM 1086 O LYS A 69 -2.042 6.417 -9.426 1.00 0.00 O ATOM 1087 CB LYS A 69 -4.993 8.058 -9.459 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.587 9.442 -9.661 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.210 9.974 -8.381 1.00 0.00 C ATOM 1090 CE LYS A 69 -6.950 11.279 -8.622 1.00 0.00 C ATOM 1091 NZ LYS A 69 -6.911 12.169 -7.428 1.00 0.00 N ATOM 0 H LYS A 69 -4.590 5.871 -10.758 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.617 8.632 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.764 7.310 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.688 7.951 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.810 10.127 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.342 9.404 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.899 9.233 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.432 10.128 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.507 11.795 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.987 11.066 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.427 13.048 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.356 11.687 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.923 12.394 -7.195 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.046 8.605 -8.902 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.855 8.520 -8.064 1.00 0.00 C ATOM 1107 C LYS A 70 -1.095 9.175 -6.708 1.00 0.00 C ATOM 1108 O LYS A 70 -1.551 10.317 -6.632 1.00 0.00 O ATOM 1109 CB LYS A 70 0.333 9.184 -8.761 1.00 0.00 C ATOM 1110 CG LYS A 70 0.079 10.631 -9.150 1.00 0.00 C ATOM 1111 CD LYS A 70 0.720 11.597 -8.163 1.00 0.00 C ATOM 1112 CE LYS A 70 1.981 12.228 -8.735 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.807 13.686 -8.982 1.00 0.00 N ATOM 0 H LYS A 70 -2.450 9.540 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.630 7.466 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.201 9.140 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.583 8.614 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.475 10.815 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.995 10.814 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.007 12.379 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.963 11.068 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.810 12.073 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.245 11.730 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.687 14.080 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.032 13.833 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.580 14.165 -8.087 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.785 8.448 -5.640 1.00 0.00 N ATOM 1128 CA ILE A 71 -0.966 8.959 -4.287 1.00 0.00 C ATOM 1129 C ILE A 71 0.138 9.943 -3.920 1.00 0.00 C ATOM 1130 O ILE A 71 1.308 9.724 -4.234 1.00 0.00 O ATOM 1131 CB ILE A 71 -0.985 7.817 -3.252 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -1.935 6.707 -3.702 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.391 8.349 -1.885 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.380 7.147 -3.799 1.00 0.00 C ATOM 0 H ILE A 71 -0.407 7.502 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.928 9.472 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 71 0.019 7.399 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.611 6.335 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.864 5.874 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.400 7.531 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.678 9.108 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.386 8.789 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.995 6.308 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.722 7.491 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.465 7.960 -4.520 1.00 0.00 H new ATOM 1146 N SER A 72 -0.241 11.029 -3.254 1.00 0.00 N ATOM 1147 CA SER A 72 0.717 12.049 -2.844 1.00 0.00 C ATOM 1148 C SER A 72 0.619 12.316 -1.346 1.00 0.00 C ATOM 1149 O SER A 72 1.633 12.408 -0.653 1.00 0.00 O ATOM 1150 CB SER A 72 0.479 13.345 -3.621 1.00 0.00 C ATOM 1151 OG SER A 72 1.234 14.413 -3.076 1.00 0.00 O ATOM 0 H SER A 72 -1.206 11.225 -2.987 1.00 0.00 H new ATOM 0 HA SER A 72 1.719 11.680 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.750 13.201 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.581 13.597 -3.598 1.00 0.00 H new ATOM 0 HG SER A 72 1.065 15.229 -3.591 1.00 0.00 H new ATOM 1157 N SER A 73 -0.609 12.440 -0.851 1.00 0.00 N ATOM 1158 CA SER A 73 -0.839 12.696 0.567 1.00 0.00 C ATOM 1159 C SER A 73 -1.530 11.508 1.229 1.00 0.00 C ATOM 1160 O SER A 73 -1.825 10.507 0.577 1.00 0.00 O ATOM 1161 CB SER A 73 -1.685 13.958 0.747 1.00 0.00 C ATOM 1162 OG SER A 73 -0.887 15.124 0.662 1.00 0.00 O ATOM 0 H SER A 73 -1.459 12.367 -1.410 1.00 0.00 H new ATOM 0 HA SER A 73 0.129 12.844 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.463 13.990 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.188 13.928 1.714 1.00 0.00 H new ATOM 0 HG SER A 73 -1.452 15.916 0.779 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.782 11.626 2.528 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.437 10.561 3.280 1.00 0.00 C ATOM 1170 C LEU A 74 -3.946 10.587 3.061 1.00 0.00 C ATOM 1171 O LEU A 74 -4.598 9.544 3.038 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.123 10.694 4.771 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.637 10.667 5.125 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.375 11.464 6.393 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.154 9.233 5.284 1.00 0.00 C ATOM 0 H LEU A 74 -1.543 12.448 3.082 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.053 9.607 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.550 11.629 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.623 9.886 5.305 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.080 11.129 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.689 11.433 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.683 12.499 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.942 11.033 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.906 9.232 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.717 8.746 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.305 8.692 4.350 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.496 11.787 2.900 1.00 0.00 N ATOM 1188 CA ASP A 75 -5.929 11.947 2.684 1.00 0.00 C ATOM 1189 C ASP A 75 -6.364 11.268 1.388 1.00 0.00 C ATOM 1190 O ASP A 75 -7.492 10.791 1.274 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.297 13.432 2.646 1.00 0.00 C ATOM 1192 CG ASP A 75 -7.500 13.752 3.512 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -7.675 13.085 4.553 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -8.267 14.667 3.147 1.00 0.00 O ATOM 0 H ASP A 75 -3.971 12.661 2.915 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.452 11.472 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.445 14.023 2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.505 13.726 1.617 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.458 11.226 0.416 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.747 10.604 -0.871 1.00 0.00 C ATOM 1201 C GLN A 76 -5.993 9.107 -0.711 1.00 0.00 C ATOM 1202 O GLN A 76 -6.754 8.508 -1.470 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.594 10.843 -1.847 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.343 12.312 -2.147 1.00 0.00 C ATOM 1205 CD GLN A 76 -4.667 12.679 -3.582 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.812 12.562 -4.022 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.659 13.128 -4.320 1.00 0.00 N ATOM 0 H GLN A 76 -4.518 11.615 0.495 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.652 11.060 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.685 10.405 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.806 10.321 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.945 12.924 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.298 12.547 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.727 13.209 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.817 13.392 -5.292 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.341 8.508 0.281 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.488 7.080 0.540 1.00 0.00 C ATOM 1218 C LEU A 77 -6.943 6.724 0.823 1.00 0.00 C ATOM 1219 O LEU A 77 -7.684 7.515 1.408 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.609 6.662 1.722 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.111 6.598 1.422 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.315 6.462 2.711 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -2.806 5.441 0.481 1.00 0.00 C ATOM 0 H LEU A 77 -4.706 8.989 0.918 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.168 6.540 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.771 7.363 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.937 5.683 2.071 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.817 7.527 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.251 6.418 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.511 7.321 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.612 5.549 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.736 5.410 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.115 4.504 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.349 5.580 -0.454 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.346 5.529 0.405 1.00 0.00 N ATOM 1236 CA VAL A 78 -8.713 5.067 0.614 1.00 0.00 C ATOM 1237 C VAL A 78 -8.752 3.884 1.576 1.00 0.00 C ATOM 1238 O VAL A 78 -7.907 2.991 1.512 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.376 4.655 -0.714 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -10.857 4.374 -0.508 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.172 5.732 -1.769 1.00 0.00 C ATOM 0 H VAL A 78 -6.745 4.863 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.266 5.901 1.045 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.902 3.739 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.308 4.085 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.977 3.565 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.349 5.271 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.647 5.424 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.617 6.666 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.105 5.879 -1.937 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.739 3.883 2.466 1.00 0.00 N ATOM 1252 CA GLU A 79 -9.889 2.810 3.441 1.00 0.00 C ATOM 1253 C GLU A 79 -10.182 1.483 2.748 1.00 0.00 C ATOM 1254 O GLU A 79 -11.219 1.325 2.102 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.008 3.141 4.429 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.728 2.671 5.847 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.327 3.590 6.894 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -11.539 4.781 6.588 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.584 3.116 8.021 1.00 0.00 O ATOM 0 H GLU A 79 -10.447 4.614 2.532 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.950 2.715 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.166 4.219 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.935 2.685 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.129 1.666 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.651 2.607 5.999 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.264 0.533 2.886 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.443 -0.767 2.267 1.00 0.00 C ATOM 1268 C GLY A 80 -9.147 -0.747 0.781 1.00 0.00 C ATOM 1269 O GLY A 80 -10.047 -0.920 -0.041 1.00 0.00 O ATOM 0 H GLY A 80 -8.399 0.640 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.790 -1.491 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.467 -1.104 2.426 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.881 -0.536 0.434 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.469 -0.493 -0.964 1.00 0.00 C ATOM 1275 C GLU A 81 -6.036 -0.992 -1.123 1.00 0.00 C ATOM 1276 O GLU A 81 -5.376 -1.340 -0.144 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.590 0.931 -1.510 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.919 1.208 -2.193 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.155 0.315 -3.394 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.162 -0.137 -4.004 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.333 0.064 -3.727 1.00 0.00 O ATOM 0 H GLU A 81 -7.123 -0.392 1.102 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.129 -1.149 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.457 1.638 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.782 1.109 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.728 1.067 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.951 2.251 -2.509 1.00 0.00 H new ATOM 1288 N SER A 82 -5.560 -1.023 -2.364 1.00 0.00 N ATOM 1289 CA SER A 82 -4.205 -1.479 -2.652 1.00 0.00 C ATOM 1290 C SER A 82 -3.486 -0.498 -3.572 1.00 0.00 C ATOM 1291 O SER A 82 -4.110 0.161 -4.403 1.00 0.00 O ATOM 1292 CB SER A 82 -4.238 -2.867 -3.294 1.00 0.00 C ATOM 1293 OG SER A 82 -4.657 -3.851 -2.363 1.00 0.00 O ATOM 0 H SER A 82 -6.093 -0.738 -3.186 1.00 0.00 H new ATOM 0 HA SER A 82 -3.658 -1.534 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.914 -2.860 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.248 -3.119 -3.673 1.00 0.00 H new ATOM 0 HG SER A 82 -4.825 -4.695 -2.832 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.169 -0.407 -3.417 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.363 0.492 -4.235 1.00 0.00 C ATOM 1301 C TYR A 83 -0.003 -0.124 -4.544 1.00 0.00 C ATOM 1302 O TYR A 83 0.544 -0.880 -3.740 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.179 1.833 -3.522 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.471 2.435 -3.018 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.067 1.972 -1.853 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.094 3.468 -3.709 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.248 2.519 -1.389 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.275 4.021 -3.252 1.00 0.00 C ATOM 1309 CZ TYR A 83 -4.848 3.543 -2.092 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.024 4.090 -1.633 1.00 0.00 O ATOM 0 H TYR A 83 -1.637 -0.945 -2.732 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.888 0.656 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.499 1.697 -2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.703 2.536 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.600 1.171 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.648 3.844 -4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.699 2.147 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.747 4.823 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.073 5.032 -1.900 1.00 0.00 H new ATOM 1320 N VAL A 84 0.537 0.203 -5.713 1.00 0.00 N ATOM 1321 CA VAL A 84 1.833 -0.319 -6.128 1.00 0.00 C ATOM 1322 C VAL A 84 2.946 0.683 -5.840 1.00 0.00 C ATOM 1323 O VAL A 84 3.032 1.732 -6.478 1.00 0.00 O ATOM 1324 CB VAL A 84 1.845 -0.663 -7.629 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.129 -1.388 -8.001 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.627 -1.499 -7.994 1.00 0.00 C ATOM 0 H VAL A 84 0.097 0.827 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 84 2.007 -1.228 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 84 1.803 0.267 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.119 -1.623 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.985 -0.750 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.205 -2.311 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.652 -1.733 -9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.636 -2.425 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.280 -0.939 -7.767 1.00 0.00 H new ATOM 1336 N CYS A 85 3.797 0.352 -4.874 1.00 0.00 N ATOM 1337 CA CYS A 85 4.905 1.223 -4.500 1.00 0.00 C ATOM 1338 C CYS A 85 5.865 1.415 -5.670 1.00 0.00 C ATOM 1339 O CYS A 85 6.416 0.450 -6.198 1.00 0.00 O ATOM 1340 CB CYS A 85 5.655 0.643 -3.300 1.00 0.00 C ATOM 1341 SG CYS A 85 5.037 1.210 -1.699 1.00 0.00 S ATOM 0 H CYS A 85 3.740 -0.513 -4.336 1.00 0.00 H new ATOM 0 HA CYS A 85 4.494 2.195 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.592 -0.445 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.710 0.904 -3.383 1.00 0.00 H new ATOM 0 HG CYS A 85 6.011 1.226 -0.839 1.00 0.00 H new ATOM 1347 N GLY A 86 6.058 2.667 -6.071 1.00 0.00 N ATOM 1348 CA GLY A 86 6.951 2.962 -7.176 1.00 0.00 C ATOM 1349 C GLY A 86 7.930 4.072 -6.848 1.00 0.00 C ATOM 1350 O GLY A 86 7.760 4.788 -5.861 1.00 0.00 O ATOM 0 H GLY A 86 5.612 3.482 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.504 2.061 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.363 3.246 -8.049 1.00 0.00 H new ATOM 1354 N SER A 87 8.960 4.215 -7.678 1.00 0.00 N ATOM 1355 CA SER A 87 9.970 5.246 -7.469 1.00 0.00 C ATOM 1356 C SER A 87 10.294 5.963 -8.777 1.00 0.00 C ATOM 1357 O SER A 87 9.899 7.110 -8.982 1.00 0.00 O ATOM 1358 CB SER A 87 11.242 4.631 -6.882 1.00 0.00 C ATOM 1359 OG SER A 87 12.259 5.607 -6.733 1.00 0.00 O ATOM 0 H SER A 87 9.116 3.631 -8.499 1.00 0.00 H new ATOM 0 HA SER A 87 9.569 5.976 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.019 4.183 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.595 3.830 -7.531 1.00 0.00 H new ATOM 0 HG SER A 87 12.548 5.638 -5.797 1.00 0.00 H new ATOM 1365 N ILE A 88 11.016 5.278 -9.659 1.00 0.00 N ATOM 1366 CA ILE A 88 11.393 5.850 -10.946 1.00 0.00 C ATOM 1367 C ILE A 88 10.838 5.022 -12.100 1.00 0.00 C ATOM 1368 O ILE A 88 10.361 5.566 -13.094 1.00 0.00 O ATOM 1369 CB ILE A 88 12.923 5.949 -11.091 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.536 6.595 -9.847 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.287 6.738 -12.340 1.00 0.00 C ATOM 1372 CD1 ILE A 88 14.097 5.594 -8.861 1.00 0.00 C ATOM 0 H ILE A 88 11.351 4.327 -9.506 1.00 0.00 H new ATOM 0 HA ILE A 88 10.966 6.852 -10.983 1.00 0.00 H new ATOM 0 HB ILE A 88 13.329 4.942 -11.190 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.331 7.275 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.777 7.197 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.372 6.799 -12.428 1.00 0.00 H new ATOM 0 HG22 ILE A 88 12.879 6.238 -13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.871 7.743 -12.269 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.515 6.122 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.301 4.930 -8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.880 5.008 -9.343 1.00 0.00 H new ATOM 1384 N GLU A 89 10.904 3.702 -11.960 1.00 0.00 N ATOM 1385 CA GLU A 89 10.408 2.798 -12.991 1.00 0.00 C ATOM 1386 C GLU A 89 8.905 2.978 -13.195 1.00 0.00 C ATOM 1387 O GLU A 89 8.168 3.228 -12.241 1.00 0.00 O ATOM 1388 CB GLU A 89 10.714 1.346 -12.618 1.00 0.00 C ATOM 1389 CG GLU A 89 10.162 0.939 -11.261 1.00 0.00 C ATOM 1390 CD GLU A 89 11.224 0.928 -10.179 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.037 -0.020 -10.155 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.245 1.868 -9.358 1.00 0.00 O ATOM 0 H GLU A 89 11.296 3.235 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 89 10.915 3.039 -13.925 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.300 0.688 -13.382 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.794 1.198 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.365 1.626 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.716 -0.053 -11.337 1.00 0.00 H new ATOM 1399 N PRO A 90 8.427 2.851 -14.446 1.00 0.00 N ATOM 1400 CA PRO A 90 7.004 3.001 -14.765 1.00 0.00 C ATOM 1401 C PRO A 90 6.121 2.096 -13.912 1.00 0.00 C ATOM 1402 O PRO A 90 6.598 1.443 -12.984 1.00 0.00 O ATOM 1403 CB PRO A 90 6.920 2.592 -16.239 1.00 0.00 C ATOM 1404 CG PRO A 90 8.287 2.832 -16.778 1.00 0.00 C ATOM 1405 CD PRO A 90 9.234 2.553 -15.645 1.00 0.00 C ATOM 0 HA PRO A 90 6.650 4.013 -14.570 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.631 1.546 -16.344 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.175 3.183 -16.772 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.492 2.180 -17.627 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.393 3.858 -17.131 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.576 1.518 -15.652 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.122 3.183 -15.699 1.00 0.00 H new ATOM 1413 N PHE A 91 4.832 2.061 -14.235 1.00 0.00 N ATOM 1414 CA PHE A 91 3.883 1.234 -13.499 1.00 0.00 C ATOM 1415 C PHE A 91 3.697 -0.118 -14.181 1.00 0.00 C ATOM 1416 O PHE A 91 3.371 -0.185 -15.366 1.00 0.00 O ATOM 1417 CB PHE A 91 2.536 1.949 -13.380 1.00 0.00 C ATOM 1418 CG PHE A 91 1.541 1.217 -12.526 1.00 0.00 C ATOM 1419 CD1 PHE A 91 0.739 0.225 -13.067 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.409 1.520 -11.180 1.00 0.00 C ATOM 1421 CE1 PHE A 91 -0.177 -0.451 -12.284 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.494 0.848 -10.390 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.300 -0.138 -10.944 1.00 0.00 C ATOM 0 H PHE A 91 4.421 2.595 -15.001 1.00 0.00 H new ATOM 0 HA PHE A 91 4.285 1.064 -12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.697 2.944 -12.964 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.117 2.085 -14.377 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.831 -0.023 -14.114 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.028 2.290 -10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.795 -1.222 -12.719 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.400 1.093 -9.342 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.016 -0.664 -10.330 1.00 0.00 H new ATOM 1433 N LYS A 92 3.906 -1.191 -13.426 1.00 0.00 N ATOM 1434 CA LYS A 92 3.761 -2.539 -13.959 1.00 0.00 C ATOM 1435 C LYS A 92 2.438 -3.159 -13.523 1.00 0.00 C ATOM 1436 O LYS A 92 2.071 -3.103 -12.348 1.00 0.00 O ATOM 1437 CB LYS A 92 4.926 -3.419 -13.500 1.00 0.00 C ATOM 1438 CG LYS A 92 6.226 -3.138 -14.235 1.00 0.00 C ATOM 1439 CD LYS A 92 7.429 -3.278 -13.314 1.00 0.00 C ATOM 1440 CE LYS A 92 8.717 -2.882 -14.017 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.469 -4.068 -14.512 1.00 0.00 N ATOM 0 H LYS A 92 4.176 -1.153 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 92 3.769 -2.475 -15.047 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.083 -3.271 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.657 -4.466 -13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.327 -3.826 -15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.200 -2.131 -14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.288 -2.654 -12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.505 -4.308 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.485 -2.224 -14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.345 -2.315 -13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.340 -3.754 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.713 -4.684 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.880 -4.596 -15.187 1.00 0.00 H new ATOM 1455 N LYS A 93 1.725 -3.751 -14.476 1.00 0.00 N ATOM 1456 CA LYS A 93 0.441 -4.381 -14.190 1.00 0.00 C ATOM 1457 C LYS A 93 0.621 -5.860 -13.866 1.00 0.00 C ATOM 1458 O LYS A 93 0.933 -6.664 -14.745 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.507 -4.218 -15.380 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.952 -3.970 -14.976 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.917 -4.807 -15.802 1.00 0.00 C ATOM 1462 CE LYS A 93 -4.087 -3.977 -16.305 1.00 0.00 C ATOM 1463 NZ LYS A 93 -5.269 -4.081 -15.406 1.00 0.00 N ATOM 0 H LYS A 93 2.014 -3.808 -15.452 1.00 0.00 H new ATOM 0 HA LYS A 93 0.008 -3.888 -13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.163 -3.388 -15.997 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.460 -5.115 -15.997 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.080 -4.204 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.189 -2.913 -15.100 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.388 -5.243 -16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.290 -5.635 -15.199 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.783 -2.933 -16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.362 -4.307 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.045 -3.501 -15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.575 -5.073 -15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.014 -3.742 -14.457 1.00 0.00 H new ATOM 1477 N LEU A 94 0.422 -6.212 -12.600 1.00 0.00 N ATOM 1478 CA LEU A 94 0.562 -7.595 -12.161 1.00 0.00 C ATOM 1479 C LEU A 94 -0.689 -8.061 -11.422 1.00 0.00 C ATOM 1480 O LEU A 94 -1.436 -7.250 -10.875 1.00 0.00 O ATOM 1481 CB LEU A 94 1.787 -7.744 -11.257 1.00 0.00 C ATOM 1482 CG LEU A 94 3.037 -7.003 -11.735 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.156 -7.132 -10.714 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.484 -7.533 -13.089 1.00 0.00 C ATOM 0 H LEU A 94 0.163 -5.559 -11.861 1.00 0.00 H new ATOM 0 HA LEU A 94 0.693 -8.219 -13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.530 -7.386 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.024 -8.804 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 94 2.792 -5.946 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.037 -6.599 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.833 -6.705 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.401 -8.185 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.374 -6.995 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.712 -8.596 -13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.686 -7.389 -13.818 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.911 -9.371 -11.412 1.00 0.00 N ATOM 1497 CA GLU A 95 -2.071 -9.946 -10.741 1.00 0.00 C ATOM 1498 C GLU A 95 -1.779 -10.194 -9.265 1.00 0.00 C ATOM 1499 O GLU A 95 -1.238 -11.237 -8.896 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.482 -11.253 -11.419 1.00 0.00 C ATOM 1501 CG GLU A 95 -2.897 -11.081 -12.872 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.146 -12.007 -13.808 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.772 -13.117 -13.373 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -1.931 -11.623 -14.977 1.00 0.00 O ATOM 0 H GLU A 95 -0.302 -10.055 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.892 -9.233 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.651 -11.956 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.309 -11.696 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.967 -11.267 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.726 -10.048 -13.175 1.00 0.00 H new ATOM 1511 N TYR A 96 -2.139 -9.229 -8.424 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.915 -9.343 -6.987 1.00 0.00 C ATOM 1513 C TYR A 96 -3.109 -9.992 -6.294 1.00 0.00 C ATOM 1514 O TYR A 96 -2.967 -11.010 -5.617 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.651 -7.963 -6.381 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.552 -7.192 -7.079 1.00 0.00 C ATOM 1517 CD1 TYR A 96 0.785 -7.506 -6.866 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.852 -6.153 -7.950 1.00 0.00 C ATOM 1519 CE1 TYR A 96 1.791 -6.804 -7.501 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.149 -5.447 -8.590 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.468 -5.776 -8.362 1.00 0.00 C ATOM 1522 OH TYR A 96 2.468 -5.076 -8.997 1.00 0.00 O ATOM 0 H TYR A 96 -2.587 -8.359 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.042 -9.977 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.571 -7.379 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -1.388 -8.082 -5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.041 -8.311 -6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.884 -5.892 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.825 -7.059 -7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.101 -4.642 -9.265 1.00 0.00 H new ATOM 0 HH TYR A 96 2.072 -4.386 -9.569 1.00 0.00 H new ATOM 1532 N THR A 97 -4.284 -9.393 -6.466 1.00 0.00 N ATOM 1533 CA THR A 97 -5.507 -9.907 -5.856 1.00 0.00 C ATOM 1534 C THR A 97 -5.694 -11.394 -6.146 1.00 0.00 C ATOM 1535 O THR A 97 -6.338 -12.109 -5.378 1.00 0.00 O ATOM 1536 CB THR A 97 -6.719 -9.123 -6.361 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.834 -9.231 -7.769 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.666 -7.650 -6.016 1.00 0.00 C ATOM 0 H THR A 97 -4.415 -8.549 -7.024 1.00 0.00 H new ATOM 0 HA THR A 97 -5.418 -9.781 -4.777 1.00 0.00 H new ATOM 0 HB THR A 97 -7.579 -9.566 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.616 -8.724 -8.073 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.556 -7.153 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.627 -7.531 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.778 -7.203 -6.463 1.00 0.00 H new ATOM 1546 N LYS A 98 -5.131 -11.854 -7.259 1.00 0.00 N ATOM 1547 CA LYS A 98 -5.241 -13.256 -7.647 1.00 0.00 C ATOM 1548 C LYS A 98 -4.695 -14.173 -6.555 1.00 0.00 C ATOM 1549 O LYS A 98 -5.131 -15.317 -6.417 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.495 -13.503 -8.960 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.326 -14.228 -10.006 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.590 -14.329 -11.332 1.00 0.00 C ATOM 1553 CE LYS A 98 -4.001 -15.717 -11.542 1.00 0.00 C ATOM 1554 NZ LYS A 98 -4.448 -16.321 -12.827 1.00 0.00 N ATOM 0 H LYS A 98 -4.595 -11.277 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.297 -13.484 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.168 -12.546 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.597 -14.086 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.571 -15.228 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.269 -13.701 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.275 -14.097 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.793 -13.586 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.913 -15.655 -11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.294 -16.364 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.025 -17.265 -12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.485 -16.404 -12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.147 -15.717 -13.618 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.740 -13.666 -5.782 1.00 0.00 N ATOM 1569 CA ASN A 99 -3.137 -14.443 -4.703 1.00 0.00 C ATOM 1570 C ASN A 99 -3.254 -13.710 -3.369 1.00 0.00 C ATOM 1571 O ASN A 99 -2.326 -13.721 -2.560 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.667 -14.728 -5.014 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.886 -13.468 -5.328 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.535 -12.701 -4.430 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.610 -13.246 -6.608 1.00 0.00 N ATOM 0 H ASN A 99 -3.367 -12.722 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.676 -15.387 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.210 -15.232 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.604 -15.411 -5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.088 -12.413 -6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.920 -13.908 -7.319 1.00 0.00 H new ATOM 1582 N VAL A 100 -4.401 -13.077 -3.147 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.640 -12.341 -1.910 1.00 0.00 C ATOM 1584 C VAL A 100 -6.129 -12.272 -1.590 1.00 0.00 C ATOM 1585 O VAL A 100 -6.552 -12.602 -0.482 1.00 0.00 O ATOM 1586 CB VAL A 100 -4.075 -10.910 -1.988 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.209 -10.206 -0.645 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.623 -10.933 -2.440 1.00 0.00 C ATOM 0 H VAL A 100 -5.179 -13.059 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.126 -12.883 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.654 -10.352 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.804 -9.197 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.261 -10.155 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.658 -10.762 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.241 -9.913 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.030 -11.509 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.556 -11.393 -3.426 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.919 -11.839 -2.567 1.00 0.00 N ATOM 1599 CA ASN A 101 -8.363 -11.725 -2.389 1.00 0.00 C ATOM 1600 C ASN A 101 -8.699 -10.714 -1.296 1.00 0.00 C ATOM 1601 O ASN A 101 -7.938 -10.541 -0.343 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.965 -13.091 -2.046 1.00 0.00 C ATOM 1603 CG ASN A 101 -10.063 -13.497 -3.009 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -9.807 -13.766 -4.184 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -11.296 -13.545 -2.518 1.00 0.00 N ATOM 0 H ASN A 101 -6.584 -11.561 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.794 -11.373 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.178 -13.845 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.366 -13.064 -1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.075 -13.812 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.464 -13.314 -1.539 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.851 -10.030 -1.418 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.284 -9.032 -0.435 1.00 0.00 C ATOM 1614 C PRO A 102 -10.729 -9.667 0.878 1.00 0.00 C ATOM 1615 O PRO A 102 -11.922 -9.843 1.123 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.464 -8.347 -1.125 1.00 0.00 C ATOM 1617 CG PRO A 102 -12.003 -9.374 -2.059 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.817 -10.176 -2.523 1.00 0.00 C ATOM 0 HA PRO A 102 -9.478 -8.351 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.218 -8.034 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.145 -7.453 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.733 -10.011 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -12.512 -8.906 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -11.080 -11.220 -2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.415 -9.793 -3.461 1.00 0.00 H new ATOM 1626 N ASN A 103 -9.761 -10.009 1.722 1.00 0.00 N ATOM 1627 CA ASN A 103 -10.052 -10.624 3.011 1.00 0.00 C ATOM 1628 C ASN A 103 -9.018 -10.213 4.057 1.00 0.00 C ATOM 1629 O ASN A 103 -8.415 -11.060 4.717 1.00 0.00 O ATOM 1630 CB ASN A 103 -10.086 -12.148 2.878 1.00 0.00 C ATOM 1631 CG ASN A 103 -10.860 -12.809 4.000 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -11.950 -13.339 3.790 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -10.297 -12.782 5.204 1.00 0.00 N ATOM 0 H ASN A 103 -8.768 -9.870 1.536 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.031 -10.275 3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.536 -12.417 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.066 -12.532 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.771 -13.212 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.391 -12.331 5.333 1.00 0.00 H new ATOM 1640 N TRP A 104 -8.818 -8.907 4.202 1.00 0.00 N ATOM 1641 CA TRP A 104 -7.859 -8.383 5.166 1.00 0.00 C ATOM 1642 C TRP A 104 -8.450 -7.208 5.938 1.00 0.00 C ATOM 1643 O TRP A 104 -8.346 -7.143 7.163 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.576 -7.947 4.456 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.816 -6.989 3.330 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.340 -7.280 2.103 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.540 -5.584 3.326 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.408 -6.142 1.337 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.922 -5.087 2.065 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.008 -4.697 4.266 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.788 -3.745 1.722 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.875 -3.363 3.924 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.265 -2.899 2.661 1.00 0.00 C ATOM 0 H TRP A 104 -9.308 -8.192 3.664 1.00 0.00 H new ATOM 0 HA TRP A 104 -7.623 -9.178 5.873 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.908 -7.483 5.182 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.065 -8.829 4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.655 -8.262 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.762 -6.090 0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.706 -5.047 5.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.086 -3.384 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.464 -2.669 4.642 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.150 -1.852 2.424 1.00 0.00 H new ATOM 1664 N SER A 105 -9.070 -6.282 5.215 1.00 0.00 N ATOM 1665 CA SER A 105 -9.679 -5.110 5.832 1.00 0.00 C ATOM 1666 C SER A 105 -11.040 -5.455 6.432 1.00 0.00 C ATOM 1667 O SER A 105 -12.065 -4.906 6.027 1.00 0.00 O ATOM 1668 CB SER A 105 -9.827 -3.987 4.804 1.00 0.00 C ATOM 1669 OG SER A 105 -8.573 -3.396 4.509 1.00 0.00 O ATOM 0 H SER A 105 -9.164 -6.321 4.200 1.00 0.00 H new ATOM 0 HA SER A 105 -9.026 -4.771 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.270 -4.383 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.509 -3.228 5.186 1.00 0.00 H new ATOM 0 HG SER A 105 -8.022 -4.032 4.007 1.00 0.00 H new