USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 61 THR OG1 : rot -157:sc= 0.146 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -4.63! C(o=-4.5!,f=-5.2!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -157:sc= 0.462 (180deg=0.222) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 42:sc= 0.432 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 91:sc= -0.0256 USER MOD Single : A 62 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -170:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.247 -7.794 -6.727 1.00 0.62 N ATOM 136 CA LYS A 13 -14.913 -7.410 -6.161 1.00 0.55 C ATOM 137 C LYS A 13 -13.800 -8.199 -6.865 1.00 0.49 C ATOM 138 O LYS A 13 -14.036 -9.238 -7.459 1.00 0.56 O ATOM 139 CB LYS A 13 -14.877 -7.724 -4.659 1.00 0.63 C ATOM 140 CG LYS A 13 -16.072 -7.067 -3.955 1.00 0.87 C ATOM 141 CD LYS A 13 -15.661 -6.607 -2.549 1.00 0.99 C ATOM 142 CE LYS A 13 -16.448 -7.393 -1.497 1.00 1.28 C ATOM 143 NZ LYS A 13 -15.501 -7.936 -0.483 1.00 2.03 N ATOM 0 HA LYS A 13 -14.758 -6.342 -6.317 1.00 0.55 H new ATOM 0 HB2 LYS A 13 -14.902 -8.803 -4.504 1.00 0.63 H new ATOM 0 HB3 LYS A 13 -13.945 -7.361 -4.226 1.00 0.63 H new ATOM 0 HG2 LYS A 13 -16.425 -6.216 -4.537 1.00 0.87 H new ATOM 0 HG3 LYS A 13 -16.900 -7.773 -3.889 1.00 0.87 H new ATOM 0 HD2 LYS A 13 -14.591 -6.758 -2.405 1.00 0.99 H new ATOM 0 HD3 LYS A 13 -15.850 -5.539 -2.436 1.00 0.99 H new ATOM 0 HE2 LYS A 13 -17.183 -6.747 -1.017 1.00 1.28 H new ATOM 0 HE3 LYS A 13 -16.999 -8.206 -1.970 1.00 1.28 H new ATOM 0 HZ1 LYS A 13 -16.030 -8.471 0.235 1.00 2.03 H new ATOM 0 HZ2 LYS A 13 -14.816 -8.565 -0.949 1.00 2.03 H new ATOM 0 HZ3 LYS A 13 -14.994 -7.151 -0.026 1.00 2.03 H new ATOM 157 N VAL A 14 -12.583 -7.710 -6.796 1.00 0.59 N ATOM 158 CA VAL A 14 -11.435 -8.415 -7.452 1.00 0.60 C ATOM 159 C VAL A 14 -10.466 -8.942 -6.383 1.00 0.62 C ATOM 160 O VAL A 14 -10.074 -8.227 -5.477 1.00 0.66 O ATOM 161 CB VAL A 14 -10.696 -7.449 -8.392 1.00 0.64 C ATOM 162 CG1 VAL A 14 -11.588 -7.117 -9.589 1.00 0.62 C ATOM 163 CG2 VAL A 14 -10.347 -6.151 -7.654 1.00 0.67 C ATOM 0 H VAL A 14 -12.335 -6.848 -6.311 1.00 0.59 H new ATOM 0 HA VAL A 14 -11.819 -9.254 -8.032 1.00 0.60 H new ATOM 0 HB VAL A 14 -9.777 -7.927 -8.733 1.00 0.64 H new ATOM 0 HG11 VAL A 14 -11.063 -6.432 -10.255 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -11.830 -8.033 -10.128 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -12.508 -6.649 -9.239 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -9.824 -5.476 -8.332 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -11.262 -5.675 -7.303 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.706 -6.378 -6.802 1.00 0.67 H new ATOM 173 N THR A 15 -10.075 -10.191 -6.488 1.00 0.64 N ATOM 174 CA THR A 15 -9.129 -10.780 -5.489 1.00 0.67 C ATOM 175 C THR A 15 -7.706 -10.804 -6.070 1.00 0.58 C ATOM 176 O THR A 15 -7.516 -10.832 -7.274 1.00 0.60 O ATOM 177 CB THR A 15 -9.582 -12.205 -5.129 1.00 0.78 C ATOM 178 OG1 THR A 15 -8.759 -12.715 -4.087 1.00 0.84 O ATOM 179 CG2 THR A 15 -9.486 -13.122 -6.355 1.00 0.82 C ATOM 0 H THR A 15 -10.372 -10.829 -7.226 1.00 0.64 H new ATOM 0 HA THR A 15 -9.128 -10.169 -4.586 1.00 0.67 H new ATOM 0 HB THR A 15 -10.619 -12.172 -4.796 1.00 0.78 H new ATOM 0 HG1 THR A 15 -9.048 -13.622 -3.856 1.00 0.84 H new ATOM 0 HG21 THR A 15 -9.810 -14.127 -6.084 1.00 0.82 H new ATOM 0 HG22 THR A 15 -10.126 -12.736 -7.149 1.00 0.82 H new ATOM 0 HG23 THR A 15 -8.454 -13.155 -6.704 1.00 0.82 H new ATOM 187 N PHE A 16 -6.707 -10.788 -5.218 1.00 0.57 N ATOM 188 CA PHE A 16 -5.294 -10.803 -5.708 1.00 0.51 C ATOM 189 C PHE A 16 -4.475 -11.826 -4.915 1.00 0.55 C ATOM 190 O PHE A 16 -4.583 -11.922 -3.705 1.00 0.70 O ATOM 191 CB PHE A 16 -4.665 -9.416 -5.530 1.00 0.47 C ATOM 192 CG PHE A 16 -5.463 -8.382 -6.293 1.00 0.50 C ATOM 193 CD1 PHE A 16 -5.360 -8.306 -7.687 1.00 0.56 C ATOM 194 CD2 PHE A 16 -6.302 -7.497 -5.603 1.00 0.59 C ATOM 195 CE1 PHE A 16 -6.096 -7.346 -8.392 1.00 0.64 C ATOM 196 CE2 PHE A 16 -7.037 -6.537 -6.309 1.00 0.67 C ATOM 197 CZ PHE A 16 -6.933 -6.463 -7.703 1.00 0.67 C ATOM 0 H PHE A 16 -6.811 -10.765 -4.204 1.00 0.57 H new ATOM 0 HA PHE A 16 -5.294 -11.074 -6.764 1.00 0.51 H new ATOM 0 HB2 PHE A 16 -4.634 -9.155 -4.472 1.00 0.47 H new ATOM 0 HB3 PHE A 16 -3.635 -9.427 -5.886 1.00 0.47 H new ATOM 0 HD1 PHE A 16 -4.713 -8.988 -8.219 1.00 0.56 H new ATOM 0 HD2 PHE A 16 -6.382 -7.555 -4.528 1.00 0.59 H new ATOM 0 HE1 PHE A 16 -6.017 -7.288 -9.468 1.00 0.64 H new ATOM 0 HE2 PHE A 16 -7.684 -5.854 -5.778 1.00 0.67 H new ATOM 0 HZ PHE A 16 -7.500 -5.723 -8.247 1.00 0.67 H new ATOM 207 N LYS A 17 -3.646 -12.574 -5.598 1.00 0.53 N ATOM 208 CA LYS A 17 -2.787 -13.590 -4.918 1.00 0.57 C ATOM 209 C LYS A 17 -1.321 -13.183 -5.101 1.00 0.51 C ATOM 210 O LYS A 17 -0.787 -13.241 -6.193 1.00 0.54 O ATOM 211 CB LYS A 17 -3.029 -14.969 -5.545 1.00 0.67 C ATOM 212 CG LYS A 17 -2.692 -16.067 -4.528 1.00 0.75 C ATOM 213 CD LYS A 17 -1.202 -16.419 -4.613 1.00 0.79 C ATOM 214 CE LYS A 17 -0.929 -17.207 -5.899 1.00 0.92 C ATOM 215 NZ LYS A 17 0.125 -16.518 -6.703 1.00 1.10 N ATOM 0 H LYS A 17 -3.527 -12.523 -6.610 1.00 0.53 H new ATOM 0 HA LYS A 17 -3.029 -13.640 -3.856 1.00 0.57 H new ATOM 0 HB2 LYS A 17 -4.069 -15.058 -5.860 1.00 0.67 H new ATOM 0 HB3 LYS A 17 -2.415 -15.086 -6.438 1.00 0.67 H new ATOM 0 HG2 LYS A 17 -2.938 -15.730 -3.521 1.00 0.75 H new ATOM 0 HG3 LYS A 17 -3.296 -16.953 -4.724 1.00 0.75 H new ATOM 0 HD2 LYS A 17 -0.602 -15.509 -4.599 1.00 0.79 H new ATOM 0 HD3 LYS A 17 -0.908 -17.008 -3.745 1.00 0.79 H new ATOM 0 HE2 LYS A 17 -0.608 -18.220 -5.654 1.00 0.92 H new ATOM 0 HE3 LYS A 17 -1.845 -17.295 -6.483 1.00 0.92 H new ATOM 0 HZ1 LYS A 17 0.040 -16.800 -7.701 1.00 1.10 H new ATOM 0 HZ2 LYS A 17 0.005 -15.488 -6.623 1.00 1.10 H new ATOM 0 HZ3 LYS A 17 1.064 -16.786 -6.346 1.00 1.10 H new ATOM 229 N ILE A 18 -0.674 -12.755 -4.042 1.00 0.49 N ATOM 230 CA ILE A 18 0.754 -12.322 -4.151 1.00 0.45 C ATOM 231 C ILE A 18 1.655 -13.274 -3.355 1.00 0.45 C ATOM 232 O ILE A 18 1.451 -13.495 -2.176 1.00 0.55 O ATOM 233 CB ILE A 18 0.898 -10.895 -3.601 1.00 0.45 C ATOM 234 CG1 ILE A 18 -0.052 -9.954 -4.355 1.00 0.51 C ATOM 235 CG2 ILE A 18 2.341 -10.412 -3.788 1.00 0.53 C ATOM 236 CD1 ILE A 18 -1.223 -9.569 -3.449 1.00 0.70 C ATOM 0 H ILE A 18 -1.075 -12.687 -3.107 1.00 0.49 H new ATOM 0 HA ILE A 18 1.055 -12.343 -5.198 1.00 0.45 H new ATOM 0 HB ILE A 18 0.648 -10.894 -2.540 1.00 0.45 H new ATOM 0 HG12 ILE A 18 0.483 -9.060 -4.673 1.00 0.51 H new ATOM 0 HG13 ILE A 18 -0.422 -10.442 -5.257 1.00 0.51 H new ATOM 0 HG21 ILE A 18 2.439 -9.399 -3.397 1.00 0.53 H new ATOM 0 HG22 ILE A 18 3.019 -11.076 -3.252 1.00 0.53 H new ATOM 0 HG23 ILE A 18 2.592 -10.417 -4.849 1.00 0.53 H new ATOM 0 HD11 ILE A 18 -1.895 -8.901 -3.987 1.00 0.70 H new ATOM 0 HD12 ILE A 18 -1.765 -10.467 -3.153 1.00 0.70 H new ATOM 0 HD13 ILE A 18 -0.845 -9.064 -2.560 1.00 0.70 H new ATOM 248 N THR A 19 2.655 -13.827 -4.000 1.00 0.42 N ATOM 249 CA THR A 19 3.595 -14.760 -3.303 1.00 0.43 C ATOM 250 C THR A 19 5.038 -14.310 -3.572 1.00 0.35 C ATOM 251 O THR A 19 5.398 -13.997 -4.693 1.00 0.37 O ATOM 252 CB THR A 19 3.390 -16.189 -3.826 1.00 0.53 C ATOM 253 OG1 THR A 19 2.039 -16.578 -3.618 1.00 0.67 O ATOM 254 CG2 THR A 19 4.318 -17.152 -3.080 1.00 0.65 C ATOM 0 H THR A 19 2.861 -13.670 -4.987 1.00 0.42 H new ATOM 0 HA THR A 19 3.400 -14.745 -2.231 1.00 0.43 H new ATOM 0 HB THR A 19 3.621 -16.220 -4.891 1.00 0.53 H new ATOM 0 HG1 THR A 19 1.906 -17.489 -3.953 1.00 0.67 H new ATOM 0 HG21 THR A 19 4.169 -18.165 -3.455 1.00 0.65 H new ATOM 0 HG22 THR A 19 5.355 -16.855 -3.239 1.00 0.65 H new ATOM 0 HG23 THR A 19 4.092 -17.123 -2.014 1.00 0.65 H new ATOM 407 N LYS A 29 -0.468 -14.375 -0.331 1.00 0.65 N ATOM 408 CA LYS A 29 -1.271 -13.249 0.240 1.00 0.62 C ATOM 409 C LYS A 29 -2.550 -13.073 -0.588 1.00 0.60 C ATOM 410 O LYS A 29 -2.505 -12.664 -1.735 1.00 0.66 O ATOM 411 CB LYS A 29 -0.438 -11.959 0.200 1.00 0.68 C ATOM 412 CG LYS A 29 -1.277 -10.771 0.683 1.00 0.70 C ATOM 413 CD LYS A 29 -1.270 -10.727 2.213 1.00 0.80 C ATOM 414 CE LYS A 29 -2.664 -10.362 2.724 1.00 1.05 C ATOM 415 NZ LYS A 29 -2.572 -9.840 4.117 1.00 1.34 N ATOM 0 HA LYS A 29 -1.538 -13.469 1.273 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.446 -12.069 0.829 1.00 0.68 H new ATOM 0 HB3 LYS A 29 -0.086 -11.776 -0.815 1.00 0.68 H new ATOM 0 HG2 LYS A 29 -0.875 -9.841 0.280 1.00 0.70 H new ATOM 0 HG3 LYS A 29 -2.299 -10.862 0.316 1.00 0.70 H new ATOM 0 HD2 LYS A 29 -0.967 -11.695 2.613 1.00 0.80 H new ATOM 0 HD3 LYS A 29 -0.541 -9.996 2.562 1.00 0.80 H new ATOM 0 HE2 LYS A 29 -3.114 -9.612 2.074 1.00 1.05 H new ATOM 0 HE3 LYS A 29 -3.312 -11.238 2.696 1.00 1.05 H new ATOM 0 HZ1 LYS A 29 -3.523 -9.594 4.459 1.00 1.34 H new ATOM 0 HZ2 LYS A 29 -2.160 -10.569 4.734 1.00 1.34 H new ATOM 0 HZ3 LYS A 29 -1.969 -8.993 4.131 1.00 1.34 H new ATOM 429 N VAL A 30 -3.687 -13.381 -0.011 1.00 0.59 N ATOM 430 CA VAL A 30 -4.977 -13.235 -0.751 1.00 0.60 C ATOM 431 C VAL A 30 -5.661 -11.931 -0.318 1.00 0.60 C ATOM 432 O VAL A 30 -6.005 -11.756 0.838 1.00 0.68 O ATOM 433 CB VAL A 30 -5.890 -14.432 -0.444 1.00 0.63 C ATOM 434 CG1 VAL A 30 -7.162 -14.343 -1.294 1.00 0.74 C ATOM 435 CG2 VAL A 30 -5.156 -15.738 -0.769 1.00 0.69 C ATOM 0 H VAL A 30 -3.776 -13.728 0.944 1.00 0.59 H new ATOM 0 HA VAL A 30 -4.783 -13.205 -1.823 1.00 0.60 H new ATOM 0 HB VAL A 30 -6.156 -14.416 0.613 1.00 0.63 H new ATOM 0 HG11 VAL A 30 -7.807 -15.194 -1.074 1.00 0.74 H new ATOM 0 HG12 VAL A 30 -7.690 -13.418 -1.063 1.00 0.74 H new ATOM 0 HG13 VAL A 30 -6.895 -14.354 -2.351 1.00 0.74 H new ATOM 0 HG21 VAL A 30 -5.806 -16.585 -0.550 1.00 0.69 H new ATOM 0 HG22 VAL A 30 -4.886 -15.751 -1.825 1.00 0.69 H new ATOM 0 HG23 VAL A 30 -4.253 -15.808 -0.163 1.00 0.69 H new ATOM 445 N LEU A 31 -5.854 -11.017 -1.242 1.00 0.60 N ATOM 446 CA LEU A 31 -6.509 -9.716 -0.902 1.00 0.62 C ATOM 447 C LEU A 31 -7.810 -9.571 -1.705 1.00 0.60 C ATOM 448 O LEU A 31 -7.787 -9.404 -2.913 1.00 0.65 O ATOM 449 CB LEU A 31 -5.557 -8.563 -1.246 1.00 0.68 C ATOM 450 CG LEU A 31 -4.747 -8.178 -0.006 1.00 0.69 C ATOM 451 CD1 LEU A 31 -3.285 -7.955 -0.400 1.00 0.69 C ATOM 452 CD2 LEU A 31 -5.314 -6.889 0.595 1.00 1.17 C ATOM 0 H LEU A 31 -5.584 -11.119 -2.220 1.00 0.60 H new ATOM 0 HA LEU A 31 -6.740 -9.690 0.163 1.00 0.62 H new ATOM 0 HB2 LEU A 31 -4.887 -8.860 -2.053 1.00 0.68 H new ATOM 0 HB3 LEU A 31 -6.125 -7.704 -1.603 1.00 0.68 H new ATOM 0 HG LEU A 31 -4.808 -8.980 0.730 1.00 0.69 H new ATOM 0 HD11 LEU A 31 -2.708 -7.681 0.483 1.00 0.69 H new ATOM 0 HD12 LEU A 31 -2.880 -8.872 -0.828 1.00 0.69 H new ATOM 0 HD13 LEU A 31 -3.225 -7.153 -1.136 1.00 0.69 H new ATOM 0 HD21 LEU A 31 -4.737 -6.615 1.478 1.00 1.17 H new ATOM 0 HD22 LEU A 31 -5.254 -6.087 -0.141 1.00 1.17 H new ATOM 0 HD23 LEU A 31 -6.355 -7.046 0.876 1.00 1.17 H new ATOM 464 N SER A 32 -8.940 -9.636 -1.039 1.00 0.62 N ATOM 465 CA SER A 32 -10.252 -9.504 -1.750 1.00 0.62 C ATOM 466 C SER A 32 -10.822 -8.096 -1.522 1.00 0.62 C ATOM 467 O SER A 32 -11.351 -7.791 -0.467 1.00 0.70 O ATOM 468 CB SER A 32 -11.237 -10.560 -1.224 1.00 0.69 C ATOM 469 OG SER A 32 -11.274 -10.518 0.199 1.00 0.76 O ATOM 0 H SER A 32 -9.009 -9.775 -0.031 1.00 0.62 H new ATOM 0 HA SER A 32 -10.101 -9.661 -2.818 1.00 0.62 H new ATOM 0 HB2 SER A 32 -12.232 -10.376 -1.628 1.00 0.69 H new ATOM 0 HB3 SER A 32 -10.935 -11.552 -1.560 1.00 0.69 H new ATOM 0 HG SER A 32 -11.280 -9.585 0.499 1.00 0.76 H new ATOM 475 N VAL A 33 -10.709 -7.239 -2.510 1.00 0.57 N ATOM 476 CA VAL A 33 -11.235 -5.841 -2.377 1.00 0.58 C ATOM 477 C VAL A 33 -11.968 -5.439 -3.667 1.00 0.58 C ATOM 478 O VAL A 33 -11.754 -6.032 -4.707 1.00 0.57 O ATOM 479 CB VAL A 33 -10.071 -4.863 -2.132 1.00 0.57 C ATOM 480 CG1 VAL A 33 -9.507 -5.070 -0.723 1.00 0.70 C ATOM 481 CG2 VAL A 33 -8.962 -5.101 -3.166 1.00 0.57 C ATOM 0 H VAL A 33 -10.273 -7.449 -3.408 1.00 0.57 H new ATOM 0 HA VAL A 33 -11.925 -5.802 -1.534 1.00 0.58 H new ATOM 0 HB VAL A 33 -10.441 -3.842 -2.228 1.00 0.57 H new ATOM 0 HG11 VAL A 33 -8.684 -4.376 -0.555 1.00 0.70 H new ATOM 0 HG12 VAL A 33 -10.291 -4.889 0.013 1.00 0.70 H new ATOM 0 HG13 VAL A 33 -9.145 -6.093 -0.623 1.00 0.70 H new ATOM 0 HG21 VAL A 33 -8.142 -4.406 -2.987 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -8.596 -6.124 -3.078 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -9.359 -4.943 -4.169 1.00 0.57 H new ATOM 491 N PRO A 34 -12.807 -4.430 -3.560 1.00 0.61 N ATOM 492 CA PRO A 34 -13.579 -3.914 -4.709 1.00 0.63 C ATOM 493 C PRO A 34 -12.679 -3.081 -5.635 1.00 0.57 C ATOM 494 O PRO A 34 -11.588 -2.682 -5.262 1.00 0.53 O ATOM 495 CB PRO A 34 -14.659 -3.045 -4.057 1.00 0.70 C ATOM 496 CG PRO A 34 -14.121 -2.657 -2.660 1.00 0.71 C ATOM 497 CD PRO A 34 -13.061 -3.711 -2.292 1.00 0.66 C ATOM 0 HA PRO A 34 -13.998 -4.703 -5.333 1.00 0.63 H new ATOM 0 HB2 PRO A 34 -14.858 -2.157 -4.657 1.00 0.70 H new ATOM 0 HB3 PRO A 34 -15.599 -3.591 -3.974 1.00 0.70 H new ATOM 0 HG2 PRO A 34 -13.686 -1.658 -2.676 1.00 0.71 H new ATOM 0 HG3 PRO A 34 -14.925 -2.643 -1.925 1.00 0.71 H new ATOM 0 HD2 PRO A 34 -12.153 -3.245 -1.910 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.424 -4.386 -1.517 1.00 0.66 H new ATOM 505 N GLU A 35 -13.132 -2.821 -6.841 1.00 0.61 N ATOM 506 CA GLU A 35 -12.315 -2.017 -7.809 1.00 0.60 C ATOM 507 C GLU A 35 -12.020 -0.619 -7.237 1.00 0.58 C ATOM 508 O GLU A 35 -11.044 0.009 -7.608 1.00 0.59 O ATOM 509 CB GLU A 35 -13.069 -1.884 -9.141 1.00 0.68 C ATOM 510 CG GLU A 35 -14.418 -1.187 -8.918 1.00 0.77 C ATOM 511 CD GLU A 35 -14.400 0.197 -9.577 1.00 0.88 C ATOM 512 OE1 GLU A 35 -14.699 0.276 -10.757 1.00 1.03 O ATOM 513 OE2 GLU A 35 -14.090 1.157 -8.887 1.00 1.02 O ATOM 0 H GLU A 35 -14.036 -3.132 -7.197 1.00 0.61 H new ATOM 0 HA GLU A 35 -11.369 -2.532 -7.977 1.00 0.60 H new ATOM 0 HB2 GLU A 35 -12.470 -1.314 -9.851 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -13.228 -2.870 -9.577 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -15.223 -1.790 -9.338 1.00 0.77 H new ATOM 0 HG3 GLU A 35 -14.616 -1.090 -7.851 1.00 0.77 H new ATOM 520 N SER A 36 -12.852 -0.130 -6.339 1.00 0.59 N ATOM 521 CA SER A 36 -12.621 1.223 -5.739 1.00 0.61 C ATOM 522 C SER A 36 -11.271 1.247 -5.007 1.00 0.56 C ATOM 523 O SER A 36 -10.541 2.218 -5.082 1.00 0.60 O ATOM 524 CB SER A 36 -13.744 1.543 -4.748 1.00 0.67 C ATOM 525 OG SER A 36 -14.489 2.655 -5.225 1.00 1.25 O ATOM 0 H SER A 36 -13.682 -0.614 -5.998 1.00 0.59 H new ATOM 0 HA SER A 36 -12.612 1.969 -6.534 1.00 0.61 H new ATOM 0 HB2 SER A 36 -14.396 0.678 -4.628 1.00 0.67 H new ATOM 0 HB3 SER A 36 -13.326 1.765 -3.766 1.00 0.67 H new ATOM 0 HG SER A 36 -15.210 2.861 -4.594 1.00 1.25 H new ATOM 531 N THR A 37 -10.937 0.183 -4.307 1.00 0.53 N ATOM 532 CA THR A 37 -9.632 0.136 -3.575 1.00 0.50 C ATOM 533 C THR A 37 -8.482 0.121 -4.597 1.00 0.46 C ATOM 534 O THR A 37 -8.449 -0.725 -5.470 1.00 0.46 O ATOM 535 CB THR A 37 -9.574 -1.129 -2.707 1.00 0.51 C ATOM 536 OG1 THR A 37 -10.571 -1.055 -1.696 1.00 0.59 O ATOM 537 CG2 THR A 37 -8.195 -1.249 -2.051 1.00 0.57 C ATOM 0 H THR A 37 -11.514 -0.653 -4.213 1.00 0.53 H new ATOM 0 HA THR A 37 -9.538 1.012 -2.933 1.00 0.50 H new ATOM 0 HB THR A 37 -9.751 -2.002 -3.335 1.00 0.51 H new ATOM 0 HG1 THR A 37 -10.536 -1.863 -1.142 1.00 0.59 H new ATOM 0 HG21 THR A 37 -8.161 -2.149 -1.437 1.00 0.57 H new ATOM 0 HG22 THR A 37 -7.428 -1.308 -2.824 1.00 0.57 H new ATOM 0 HG23 THR A 37 -8.013 -0.375 -1.425 1.00 0.57 H new ATOM 545 N PRO A 38 -7.577 1.065 -4.460 1.00 0.45 N ATOM 546 CA PRO A 38 -6.416 1.196 -5.365 1.00 0.44 C ATOM 547 C PRO A 38 -5.326 0.167 -5.027 1.00 0.41 C ATOM 548 O PRO A 38 -5.317 -0.424 -3.956 1.00 0.42 O ATOM 549 CB PRO A 38 -5.918 2.622 -5.105 1.00 0.48 C ATOM 550 CG PRO A 38 -6.436 3.017 -3.702 1.00 0.52 C ATOM 551 CD PRO A 38 -7.626 2.089 -3.393 1.00 0.49 C ATOM 0 HA PRO A 38 -6.675 1.017 -6.409 1.00 0.44 H new ATOM 0 HB2 PRO A 38 -4.830 2.666 -5.144 1.00 0.48 H new ATOM 0 HB3 PRO A 38 -6.292 3.308 -5.865 1.00 0.48 H new ATOM 0 HG2 PRO A 38 -5.652 2.903 -2.954 1.00 0.52 H new ATOM 0 HG3 PRO A 38 -6.745 4.062 -3.683 1.00 0.52 H new ATOM 0 HD2 PRO A 38 -7.533 1.639 -2.405 1.00 0.49 H new ATOM 0 HD3 PRO A 38 -8.570 2.634 -3.408 1.00 0.49 H new ATOM 559 N PHE A 39 -4.396 -0.039 -5.936 1.00 0.40 N ATOM 560 CA PHE A 39 -3.292 -1.015 -5.681 1.00 0.38 C ATOM 561 C PHE A 39 -2.393 -0.499 -4.546 1.00 0.37 C ATOM 562 O PHE A 39 -1.642 -1.255 -3.962 1.00 0.37 O ATOM 563 CB PHE A 39 -2.463 -1.209 -6.957 1.00 0.39 C ATOM 564 CG PHE A 39 -1.835 -2.586 -6.949 1.00 0.41 C ATOM 565 CD1 PHE A 39 -2.646 -3.728 -6.914 1.00 0.50 C ATOM 566 CD2 PHE A 39 -0.442 -2.720 -6.979 1.00 0.45 C ATOM 567 CE1 PHE A 39 -2.065 -5.001 -6.908 1.00 0.55 C ATOM 568 CE2 PHE A 39 0.139 -3.994 -6.974 1.00 0.51 C ATOM 569 CZ PHE A 39 -0.673 -5.134 -6.938 1.00 0.54 C ATOM 0 H PHE A 39 -4.358 0.429 -6.842 1.00 0.40 H new ATOM 0 HA PHE A 39 -3.722 -1.973 -5.388 1.00 0.38 H new ATOM 0 HB2 PHE A 39 -3.097 -1.092 -7.836 1.00 0.39 H new ATOM 0 HB3 PHE A 39 -1.688 -0.445 -7.019 1.00 0.39 H new ATOM 0 HD1 PHE A 39 -3.721 -3.626 -6.892 1.00 0.50 H new ATOM 0 HD2 PHE A 39 0.185 -1.841 -7.006 1.00 0.45 H new ATOM 0 HE1 PHE A 39 -2.691 -5.880 -6.880 1.00 0.55 H new ATOM 0 HE2 PHE A 39 1.214 -4.097 -6.998 1.00 0.51 H new ATOM 0 HZ PHE A 39 -0.224 -6.116 -6.933 1.00 0.54 H new ATOM 579 N THR A 40 -2.476 0.776 -4.216 1.00 0.39 N ATOM 580 CA THR A 40 -1.644 1.327 -3.100 1.00 0.41 C ATOM 581 C THR A 40 -2.021 0.604 -1.802 1.00 0.41 C ATOM 582 O THR A 40 -1.166 0.208 -1.032 1.00 0.44 O ATOM 583 CB THR A 40 -1.906 2.833 -2.938 1.00 0.45 C ATOM 584 OG1 THR A 40 -3.307 3.079 -2.913 1.00 0.48 O ATOM 585 CG2 THR A 40 -1.276 3.595 -4.105 1.00 0.54 C ATOM 0 H THR A 40 -3.085 1.454 -4.674 1.00 0.39 H new ATOM 0 HA THR A 40 -0.588 1.175 -3.325 1.00 0.41 H new ATOM 0 HB THR A 40 -1.463 3.173 -2.002 1.00 0.45 H new ATOM 0 HG1 THR A 40 -3.469 4.040 -2.808 1.00 0.48 H new ATOM 0 HG21 THR A 40 -1.464 4.662 -3.987 1.00 0.54 H new ATOM 0 HG22 THR A 40 -0.201 3.415 -4.119 1.00 0.54 H new ATOM 0 HG23 THR A 40 -1.713 3.251 -5.042 1.00 0.54 H new ATOM 593 N ALA A 41 -3.304 0.420 -1.571 1.00 0.42 N ATOM 594 CA ALA A 41 -3.765 -0.289 -0.340 1.00 0.46 C ATOM 595 C ALA A 41 -3.546 -1.799 -0.511 1.00 0.45 C ATOM 596 O ALA A 41 -3.152 -2.479 0.418 1.00 0.47 O ATOM 597 CB ALA A 41 -5.252 -0.009 -0.114 1.00 0.52 C ATOM 0 H ALA A 41 -4.052 0.734 -2.189 1.00 0.42 H new ATOM 0 HA ALA A 41 -3.197 0.066 0.520 1.00 0.46 H new ATOM 0 HB1 ALA A 41 -5.587 -0.527 0.785 1.00 0.52 H new ATOM 0 HB2 ALA A 41 -5.406 1.063 0.006 1.00 0.52 H new ATOM 0 HB3 ALA A 41 -5.823 -0.364 -0.972 1.00 0.52 H new ATOM 603 N VAL A 42 -3.793 -2.322 -1.696 1.00 0.44 N ATOM 604 CA VAL A 42 -3.591 -3.789 -1.937 1.00 0.46 C ATOM 605 C VAL A 42 -2.118 -4.142 -1.681 1.00 0.43 C ATOM 606 O VAL A 42 -1.812 -5.049 -0.928 1.00 0.47 O ATOM 607 CB VAL A 42 -3.958 -4.131 -3.389 1.00 0.48 C ATOM 608 CG1 VAL A 42 -3.701 -5.619 -3.651 1.00 0.55 C ATOM 609 CG2 VAL A 42 -5.441 -3.826 -3.631 1.00 0.55 C ATOM 0 H VAL A 42 -4.125 -1.795 -2.503 1.00 0.44 H new ATOM 0 HA VAL A 42 -4.229 -4.362 -1.264 1.00 0.46 H new ATOM 0 HB VAL A 42 -3.346 -3.531 -4.062 1.00 0.48 H new ATOM 0 HG11 VAL A 42 -3.963 -5.857 -4.682 1.00 0.55 H new ATOM 0 HG12 VAL A 42 -2.647 -5.841 -3.483 1.00 0.55 H new ATOM 0 HG13 VAL A 42 -4.310 -6.218 -2.974 1.00 0.55 H new ATOM 0 HG21 VAL A 42 -5.699 -4.069 -4.662 1.00 0.55 H new ATOM 0 HG22 VAL A 42 -6.051 -4.424 -2.953 1.00 0.55 H new ATOM 0 HG23 VAL A 42 -5.629 -2.768 -3.450 1.00 0.55 H new ATOM 619 N LEU A 43 -1.210 -3.415 -2.295 1.00 0.40 N ATOM 620 CA LEU A 43 0.250 -3.674 -2.093 1.00 0.39 C ATOM 621 C LEU A 43 0.615 -3.424 -0.623 1.00 0.40 C ATOM 622 O LEU A 43 1.484 -4.077 -0.075 1.00 0.43 O ATOM 623 CB LEU A 43 1.063 -2.728 -2.985 1.00 0.41 C ATOM 624 CG LEU A 43 2.493 -3.258 -3.136 1.00 0.40 C ATOM 625 CD1 LEU A 43 2.911 -3.189 -4.606 1.00 0.51 C ATOM 626 CD2 LEU A 43 3.448 -2.406 -2.293 1.00 0.58 C ATOM 0 H LEU A 43 -1.423 -2.648 -2.932 1.00 0.40 H new ATOM 0 HA LEU A 43 0.475 -4.708 -2.354 1.00 0.39 H new ATOM 0 HB2 LEU A 43 0.592 -2.642 -3.964 1.00 0.41 H new ATOM 0 HB3 LEU A 43 1.080 -1.728 -2.551 1.00 0.41 H new ATOM 0 HG LEU A 43 2.533 -4.292 -2.795 1.00 0.40 H new ATOM 0 HD11 LEU A 43 3.928 -3.566 -4.713 1.00 0.51 H new ATOM 0 HD12 LEU A 43 2.234 -3.797 -5.206 1.00 0.51 H new ATOM 0 HD13 LEU A 43 2.869 -2.155 -4.948 1.00 0.51 H new ATOM 0 HD21 LEU A 43 4.465 -2.784 -2.401 1.00 0.58 H new ATOM 0 HD22 LEU A 43 3.408 -1.371 -2.632 1.00 0.58 H new ATOM 0 HD23 LEU A 43 3.152 -2.456 -1.245 1.00 0.58 H new ATOM 638 N LYS A 44 -0.046 -2.482 0.013 1.00 0.44 N ATOM 639 CA LYS A 44 0.244 -2.176 1.448 1.00 0.47 C ATOM 640 C LYS A 44 -0.059 -3.409 2.308 1.00 0.48 C ATOM 641 O LYS A 44 0.775 -3.863 3.068 1.00 0.51 O ATOM 642 CB LYS A 44 -0.636 -1.006 1.908 1.00 0.53 C ATOM 643 CG LYS A 44 0.243 0.151 2.392 1.00 0.70 C ATOM 644 CD LYS A 44 -0.133 0.512 3.832 1.00 1.15 C ATOM 645 CE LYS A 44 1.107 1.020 4.570 1.00 1.75 C ATOM 646 NZ LYS A 44 0.792 1.211 6.014 1.00 2.15 N ATOM 0 H LYS A 44 -0.779 -1.910 -0.407 1.00 0.44 H new ATOM 0 HA LYS A 44 1.295 -1.908 1.556 1.00 0.47 H new ATOM 0 HB2 LYS A 44 -1.271 -0.673 1.087 1.00 0.53 H new ATOM 0 HB3 LYS A 44 -1.298 -1.331 2.711 1.00 0.53 H new ATOM 0 HG2 LYS A 44 1.295 -0.131 2.339 1.00 0.70 H new ATOM 0 HG3 LYS A 44 0.112 1.017 1.743 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -0.910 1.276 3.836 1.00 1.15 H new ATOM 0 HD3 LYS A 44 -0.541 -0.360 4.342 1.00 1.15 H new ATOM 0 HE2 LYS A 44 1.925 0.309 4.458 1.00 1.75 H new ATOM 0 HE3 LYS A 44 1.441 1.961 4.134 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 1.638 1.556 6.511 1.00 2.15 H new ATOM 0 HZ2 LYS A 44 0.024 1.906 6.113 1.00 2.15 H new ATOM 0 HZ3 LYS A 44 0.494 0.304 6.427 1.00 2.15 H new ATOM 660 N PHE A 45 -1.251 -3.951 2.188 1.00 0.50 N ATOM 661 CA PHE A 45 -1.630 -5.157 2.989 1.00 0.54 C ATOM 662 C PHE A 45 -0.711 -6.335 2.638 1.00 0.51 C ATOM 663 O PHE A 45 -0.275 -7.067 3.509 1.00 0.57 O ATOM 664 CB PHE A 45 -3.082 -5.534 2.681 1.00 0.62 C ATOM 665 CG PHE A 45 -4.003 -4.816 3.638 1.00 0.78 C ATOM 666 CD1 PHE A 45 -4.299 -5.384 4.883 1.00 1.32 C ATOM 667 CD2 PHE A 45 -4.559 -3.581 3.281 1.00 0.99 C ATOM 668 CE1 PHE A 45 -5.151 -4.720 5.771 1.00 1.62 C ATOM 669 CE2 PHE A 45 -5.411 -2.916 4.170 1.00 1.28 C ATOM 670 CZ PHE A 45 -5.708 -3.486 5.414 1.00 1.48 C ATOM 0 H PHE A 45 -1.980 -3.605 1.565 1.00 0.50 H new ATOM 0 HA PHE A 45 -1.524 -4.929 4.050 1.00 0.54 H new ATOM 0 HB2 PHE A 45 -3.328 -5.267 1.653 1.00 0.62 H new ATOM 0 HB3 PHE A 45 -3.216 -6.612 2.771 1.00 0.62 H new ATOM 0 HD1 PHE A 45 -3.869 -6.336 5.158 1.00 1.32 H new ATOM 0 HD2 PHE A 45 -4.330 -3.142 2.321 1.00 0.99 H new ATOM 0 HE1 PHE A 45 -5.379 -5.159 6.731 1.00 1.62 H new ATOM 0 HE2 PHE A 45 -5.839 -1.963 3.897 1.00 1.28 H new ATOM 0 HZ PHE A 45 -6.367 -2.973 6.099 1.00 1.48 H new ATOM 680 N ALA A 46 -0.413 -6.518 1.370 1.00 0.47 N ATOM 681 CA ALA A 46 0.482 -7.644 0.954 1.00 0.48 C ATOM 682 C ALA A 46 1.877 -7.445 1.562 1.00 0.44 C ATOM 683 O ALA A 46 2.489 -8.382 2.041 1.00 0.51 O ATOM 684 CB ALA A 46 0.586 -7.678 -0.575 1.00 0.50 C ATOM 0 H ALA A 46 -0.753 -5.934 0.606 1.00 0.47 H new ATOM 0 HA ALA A 46 0.066 -8.587 1.309 1.00 0.48 H new ATOM 0 HB1 ALA A 46 1.238 -8.498 -0.877 1.00 0.50 H new ATOM 0 HB2 ALA A 46 -0.405 -7.825 -1.004 1.00 0.50 H new ATOM 0 HB3 ALA A 46 1.000 -6.735 -0.933 1.00 0.50 H new ATOM 690 N ALA A 47 2.373 -6.229 1.550 1.00 0.41 N ATOM 691 CA ALA A 47 3.724 -5.947 2.129 1.00 0.43 C ATOM 692 C ALA A 47 3.677 -6.084 3.659 1.00 0.47 C ATOM 693 O ALA A 47 4.645 -6.487 4.276 1.00 0.51 O ATOM 694 CB ALA A 47 4.151 -4.526 1.756 1.00 0.48 C ATOM 0 H ALA A 47 1.896 -5.416 1.161 1.00 0.41 H new ATOM 0 HA ALA A 47 4.442 -6.662 1.728 1.00 0.43 H new ATOM 0 HB1 ALA A 47 5.135 -4.319 2.177 1.00 0.48 H new ATOM 0 HB2 ALA A 47 4.194 -4.432 0.671 1.00 0.48 H new ATOM 0 HB3 ALA A 47 3.429 -3.813 2.154 1.00 0.48 H new ATOM 700 N GLU A 48 2.558 -5.751 4.270 1.00 0.52 N ATOM 701 CA GLU A 48 2.436 -5.862 5.759 1.00 0.61 C ATOM 702 C GLU A 48 2.613 -7.325 6.183 1.00 0.58 C ATOM 703 O GLU A 48 3.390 -7.630 7.070 1.00 0.64 O ATOM 704 CB GLU A 48 1.053 -5.366 6.200 1.00 0.72 C ATOM 705 CG GLU A 48 1.185 -3.992 6.866 1.00 0.92 C ATOM 706 CD GLU A 48 0.107 -3.049 6.323 1.00 1.31 C ATOM 707 OE1 GLU A 48 -1.012 -3.114 6.808 1.00 1.56 O ATOM 708 OE2 GLU A 48 0.418 -2.275 5.432 1.00 1.91 O ATOM 0 H GLU A 48 1.723 -5.406 3.796 1.00 0.52 H new ATOM 0 HA GLU A 48 3.207 -5.253 6.230 1.00 0.61 H new ATOM 0 HB2 GLU A 48 0.388 -5.301 5.339 1.00 0.72 H new ATOM 0 HB3 GLU A 48 0.606 -6.076 6.895 1.00 0.72 H new ATOM 0 HG2 GLU A 48 1.085 -4.090 7.947 1.00 0.92 H new ATOM 0 HG3 GLU A 48 2.175 -3.578 6.674 1.00 0.92 H new ATOM 715 N GLU A 49 1.905 -8.229 5.544 1.00 0.57 N ATOM 716 CA GLU A 49 2.030 -9.681 5.889 1.00 0.60 C ATOM 717 C GLU A 49 3.414 -10.195 5.455 1.00 0.56 C ATOM 718 O GLU A 49 3.968 -11.091 6.066 1.00 0.65 O ATOM 719 CB GLU A 49 0.934 -10.469 5.158 1.00 0.66 C ATOM 720 CG GLU A 49 0.949 -11.934 5.612 1.00 0.80 C ATOM 721 CD GLU A 49 1.335 -12.836 4.433 1.00 0.93 C ATOM 722 OE1 GLU A 49 0.441 -13.264 3.721 1.00 1.14 O ATOM 723 OE2 GLU A 49 2.518 -13.085 4.263 1.00 1.03 O ATOM 0 H GLU A 49 1.244 -8.021 4.796 1.00 0.57 H new ATOM 0 HA GLU A 49 1.919 -9.814 6.965 1.00 0.60 H new ATOM 0 HB2 GLU A 49 -0.041 -10.027 5.362 1.00 0.66 H new ATOM 0 HB3 GLU A 49 1.091 -10.412 4.081 1.00 0.66 H new ATOM 0 HG2 GLU A 49 1.658 -12.064 6.430 1.00 0.80 H new ATOM 0 HG3 GLU A 49 -0.032 -12.217 5.993 1.00 0.80 H new ATOM 730 N PHE A 50 3.968 -9.630 4.404 1.00 0.49 N ATOM 731 CA PHE A 50 5.311 -10.073 3.911 1.00 0.53 C ATOM 732 C PHE A 50 6.438 -9.473 4.773 1.00 0.58 C ATOM 733 O PHE A 50 7.590 -9.839 4.622 1.00 0.66 O ATOM 734 CB PHE A 50 5.488 -9.613 2.460 1.00 0.52 C ATOM 735 CG PHE A 50 4.868 -10.623 1.521 1.00 0.52 C ATOM 736 CD1 PHE A 50 3.607 -11.175 1.799 1.00 0.61 C ATOM 737 CD2 PHE A 50 5.556 -11.007 0.365 1.00 0.59 C ATOM 738 CE1 PHE A 50 3.044 -12.105 0.921 1.00 0.65 C ATOM 739 CE2 PHE A 50 4.990 -11.936 -0.511 1.00 0.66 C ATOM 740 CZ PHE A 50 3.735 -12.485 -0.235 1.00 0.64 C ATOM 0 H PHE A 50 3.542 -8.876 3.865 1.00 0.49 H new ATOM 0 HA PHE A 50 5.366 -11.160 3.975 1.00 0.53 H new ATOM 0 HB2 PHE A 50 5.022 -8.638 2.319 1.00 0.52 H new ATOM 0 HB3 PHE A 50 6.548 -9.495 2.233 1.00 0.52 H new ATOM 0 HD1 PHE A 50 3.073 -10.881 2.690 1.00 0.61 H new ATOM 0 HD2 PHE A 50 6.526 -10.584 0.150 1.00 0.59 H new ATOM 0 HE1 PHE A 50 2.075 -12.531 1.135 1.00 0.65 H new ATOM 0 HE2 PHE A 50 5.523 -12.230 -1.403 1.00 0.66 H new ATOM 0 HZ PHE A 50 3.298 -13.203 -0.914 1.00 0.64 H new ATOM 750 N LYS A 51 6.118 -8.560 5.670 1.00 0.59 N ATOM 751 CA LYS A 51 7.163 -7.935 6.542 1.00 0.68 C ATOM 752 C LYS A 51 8.109 -7.063 5.692 1.00 0.67 C ATOM 753 O LYS A 51 9.303 -6.999 5.933 1.00 0.77 O ATOM 754 CB LYS A 51 7.952 -9.037 7.268 1.00 0.79 C ATOM 755 CG LYS A 51 7.987 -8.738 8.771 1.00 1.15 C ATOM 756 CD LYS A 51 6.873 -9.518 9.485 1.00 1.91 C ATOM 757 CE LYS A 51 7.479 -10.695 10.257 1.00 2.31 C ATOM 758 NZ LYS A 51 6.519 -11.834 10.260 1.00 3.12 N ATOM 0 H LYS A 51 5.169 -8.222 5.832 1.00 0.59 H new ATOM 0 HA LYS A 51 6.682 -7.297 7.284 1.00 0.68 H new ATOM 0 HB2 LYS A 51 7.488 -10.007 7.091 1.00 0.79 H new ATOM 0 HB3 LYS A 51 8.967 -9.092 6.874 1.00 0.79 H new ATOM 0 HG2 LYS A 51 8.958 -9.014 9.183 1.00 1.15 H new ATOM 0 HG3 LYS A 51 7.861 -7.669 8.941 1.00 1.15 H new ATOM 0 HD2 LYS A 51 6.336 -8.860 10.169 1.00 1.91 H new ATOM 0 HD3 LYS A 51 6.148 -9.883 8.758 1.00 1.91 H new ATOM 0 HE2 LYS A 51 8.419 -10.999 9.798 1.00 2.31 H new ATOM 0 HE3 LYS A 51 7.706 -10.394 11.280 1.00 2.31 H new ATOM 0 HZ1 LYS A 51 6.930 -12.633 10.784 1.00 3.12 H new ATOM 0 HZ2 LYS A 51 5.632 -11.540 10.717 1.00 3.12 H new ATOM 0 HZ3 LYS A 51 6.323 -12.126 9.281 1.00 3.12 H new ATOM 772 N VAL A 52 7.570 -6.379 4.708 1.00 0.59 N ATOM 773 CA VAL A 52 8.403 -5.490 3.835 1.00 0.61 C ATOM 774 C VAL A 52 7.702 -4.130 3.684 1.00 0.57 C ATOM 775 O VAL A 52 6.503 -4.030 3.879 1.00 0.54 O ATOM 776 CB VAL A 52 8.577 -6.125 2.444 1.00 0.60 C ATOM 777 CG1 VAL A 52 9.474 -7.360 2.540 1.00 0.72 C ATOM 778 CG2 VAL A 52 7.210 -6.533 1.884 1.00 0.60 C ATOM 0 H VAL A 52 6.578 -6.400 4.471 1.00 0.59 H new ATOM 0 HA VAL A 52 9.383 -5.358 4.293 1.00 0.61 H new ATOM 0 HB VAL A 52 9.039 -5.395 1.780 1.00 0.60 H new ATOM 0 HG11 VAL A 52 9.591 -7.802 1.551 1.00 0.72 H new ATOM 0 HG12 VAL A 52 10.451 -7.071 2.926 1.00 0.72 H new ATOM 0 HG13 VAL A 52 9.020 -8.088 3.212 1.00 0.72 H new ATOM 0 HG21 VAL A 52 7.339 -6.982 0.899 1.00 0.60 H new ATOM 0 HG22 VAL A 52 6.743 -7.256 2.554 1.00 0.60 H new ATOM 0 HG23 VAL A 52 6.573 -5.652 1.800 1.00 0.60 H new ATOM 788 N PRO A 53 8.467 -3.119 3.331 1.00 0.63 N ATOM 789 CA PRO A 53 7.939 -1.755 3.136 1.00 0.66 C ATOM 790 C PRO A 53 7.218 -1.648 1.788 1.00 0.61 C ATOM 791 O PRO A 53 7.775 -1.955 0.751 1.00 0.63 O ATOM 792 CB PRO A 53 9.188 -0.874 3.169 1.00 0.78 C ATOM 793 CG PRO A 53 10.382 -1.795 2.819 1.00 0.81 C ATOM 794 CD PRO A 53 9.923 -3.239 3.097 1.00 0.73 C ATOM 0 HA PRO A 53 7.207 -1.466 3.890 1.00 0.66 H new ATOM 0 HB2 PRO A 53 9.105 -0.056 2.453 1.00 0.78 H new ATOM 0 HB3 PRO A 53 9.320 -0.424 4.153 1.00 0.78 H new ATOM 0 HG2 PRO A 53 10.670 -1.675 1.775 1.00 0.81 H new ATOM 0 HG3 PRO A 53 11.255 -1.543 3.422 1.00 0.81 H new ATOM 0 HD2 PRO A 53 10.138 -3.895 2.253 1.00 0.73 H new ATOM 0 HD3 PRO A 53 10.432 -3.659 3.964 1.00 0.73 H new ATOM 802 N ALA A 54 5.981 -1.214 1.807 1.00 0.62 N ATOM 803 CA ALA A 54 5.191 -1.080 0.539 1.00 0.63 C ATOM 804 C ALA A 54 5.782 0.028 -0.347 1.00 0.69 C ATOM 805 O ALA A 54 5.733 -0.053 -1.561 1.00 0.73 O ATOM 806 CB ALA A 54 3.739 -0.732 0.881 1.00 0.72 C ATOM 0 H ALA A 54 5.479 -0.944 2.653 1.00 0.62 H new ATOM 0 HA ALA A 54 5.231 -2.025 -0.003 1.00 0.63 H new ATOM 0 HB1 ALA A 54 3.162 -0.634 -0.039 1.00 0.72 H new ATOM 0 HB2 ALA A 54 3.310 -1.523 1.496 1.00 0.72 H new ATOM 0 HB3 ALA A 54 3.710 0.209 1.430 1.00 0.72 H new ATOM 812 N ALA A 55 6.331 1.061 0.253 1.00 0.78 N ATOM 813 CA ALA A 55 6.921 2.185 -0.543 1.00 0.90 C ATOM 814 C ALA A 55 8.197 1.724 -1.265 1.00 0.85 C ATOM 815 O ALA A 55 8.512 2.206 -2.338 1.00 0.95 O ATOM 816 CB ALA A 55 7.266 3.342 0.400 1.00 1.07 C ATOM 0 H ALA A 55 6.395 1.173 1.265 1.00 0.78 H new ATOM 0 HA ALA A 55 6.194 2.509 -1.287 1.00 0.90 H new ATOM 0 HB1 ALA A 55 7.696 4.163 -0.174 1.00 1.07 H new ATOM 0 HB2 ALA A 55 6.361 3.685 0.902 1.00 1.07 H new ATOM 0 HB3 ALA A 55 7.987 3.003 1.144 1.00 1.07 H new ATOM 822 N THR A 56 8.933 0.801 -0.684 1.00 0.79 N ATOM 823 CA THR A 56 10.197 0.316 -1.329 1.00 0.82 C ATOM 824 C THR A 56 9.977 -1.062 -1.988 1.00 0.81 C ATOM 825 O THR A 56 10.858 -1.576 -2.653 1.00 1.36 O ATOM 826 CB THR A 56 11.301 0.200 -0.266 1.00 0.85 C ATOM 827 OG1 THR A 56 11.261 1.335 0.592 1.00 0.91 O ATOM 828 CG2 THR A 56 12.671 0.127 -0.946 1.00 0.94 C ATOM 0 H THR A 56 8.711 0.363 0.210 1.00 0.79 H new ATOM 0 HA THR A 56 10.493 1.030 -2.098 1.00 0.82 H new ATOM 0 HB THR A 56 11.138 -0.705 0.319 1.00 0.85 H new ATOM 0 HG1 THR A 56 11.965 1.258 1.270 1.00 0.91 H new ATOM 0 HG21 THR A 56 13.450 0.045 -0.188 1.00 0.94 H new ATOM 0 HG22 THR A 56 12.707 -0.745 -1.599 1.00 0.94 H new ATOM 0 HG23 THR A 56 12.833 1.029 -1.536 1.00 0.94 H new ATOM 836 N SER A 57 8.820 -1.664 -1.808 1.00 0.53 N ATOM 837 CA SER A 57 8.562 -3.006 -2.422 1.00 0.51 C ATOM 838 C SER A 57 7.622 -2.869 -3.625 1.00 0.41 C ATOM 839 O SER A 57 6.844 -1.935 -3.723 1.00 0.60 O ATOM 840 CB SER A 57 7.918 -3.929 -1.386 1.00 0.66 C ATOM 841 OG SER A 57 8.926 -4.447 -0.527 1.00 0.91 O ATOM 0 H SER A 57 8.047 -1.283 -1.263 1.00 0.53 H new ATOM 0 HA SER A 57 9.511 -3.426 -2.755 1.00 0.51 H new ATOM 0 HB2 SER A 57 7.176 -3.381 -0.806 1.00 0.66 H new ATOM 0 HB3 SER A 57 7.394 -4.745 -1.884 1.00 0.66 H new ATOM 0 HG SER A 57 9.028 -3.858 0.250 1.00 0.91 H new ATOM 847 N ALA A 58 7.693 -3.807 -4.538 1.00 0.38 N ATOM 848 CA ALA A 58 6.817 -3.773 -5.748 1.00 0.32 C ATOM 849 C ALA A 58 6.176 -5.152 -5.956 1.00 0.31 C ATOM 850 O ALA A 58 6.594 -6.134 -5.368 1.00 0.36 O ATOM 851 CB ALA A 58 7.664 -3.414 -6.972 1.00 0.39 C ATOM 0 H ALA A 58 8.329 -4.604 -4.494 1.00 0.38 H new ATOM 0 HA ALA A 58 6.033 -3.028 -5.612 1.00 0.32 H new ATOM 0 HB1 ALA A 58 7.030 -3.388 -7.858 1.00 0.39 H new ATOM 0 HB2 ALA A 58 8.121 -2.436 -6.824 1.00 0.39 H new ATOM 0 HB3 ALA A 58 8.445 -4.163 -7.107 1.00 0.39 H new ATOM 857 N ILE A 59 5.166 -5.235 -6.788 1.00 0.32 N ATOM 858 CA ILE A 59 4.504 -6.551 -7.036 1.00 0.34 C ATOM 859 C ILE A 59 4.523 -6.847 -8.539 1.00 0.34 C ATOM 860 O ILE A 59 3.953 -6.121 -9.327 1.00 0.37 O ATOM 861 CB ILE A 59 3.058 -6.507 -6.514 1.00 0.37 C ATOM 862 CG1 ILE A 59 3.059 -6.785 -5.005 1.00 0.43 C ATOM 863 CG2 ILE A 59 2.206 -7.567 -7.225 1.00 0.41 C ATOM 864 CD1 ILE A 59 1.674 -6.489 -4.421 1.00 0.47 C ATOM 0 H ILE A 59 4.773 -4.448 -7.305 1.00 0.32 H new ATOM 0 HA ILE A 59 5.039 -7.342 -6.511 1.00 0.34 H new ATOM 0 HB ILE A 59 2.636 -5.522 -6.712 1.00 0.37 H new ATOM 0 HG12 ILE A 59 3.328 -7.825 -4.818 1.00 0.43 H new ATOM 0 HG13 ILE A 59 3.811 -6.168 -4.513 1.00 0.43 H new ATOM 0 HG21 ILE A 59 1.184 -7.526 -6.847 1.00 0.41 H new ATOM 0 HG22 ILE A 59 2.204 -7.373 -8.298 1.00 0.41 H new ATOM 0 HG23 ILE A 59 2.623 -8.556 -7.036 1.00 0.41 H new ATOM 0 HD11 ILE A 59 1.681 -6.688 -3.349 1.00 0.47 H new ATOM 0 HD12 ILE A 59 1.422 -5.443 -4.594 1.00 0.47 H new ATOM 0 HD13 ILE A 59 0.932 -7.125 -4.904 1.00 0.47 H new ATOM 876 N ILE A 60 5.171 -7.915 -8.934 1.00 0.35 N ATOM 877 CA ILE A 60 5.226 -8.271 -10.387 1.00 0.37 C ATOM 878 C ILE A 60 4.169 -9.342 -10.692 1.00 0.40 C ATOM 879 O ILE A 60 3.574 -9.912 -9.797 1.00 0.47 O ATOM 880 CB ILE A 60 6.620 -8.805 -10.748 1.00 0.38 C ATOM 881 CG1 ILE A 60 6.981 -9.987 -9.839 1.00 0.43 C ATOM 882 CG2 ILE A 60 7.660 -7.694 -10.576 1.00 0.41 C ATOM 883 CD1 ILE A 60 7.505 -11.140 -10.694 1.00 0.62 C ATOM 0 H ILE A 60 5.665 -8.556 -8.313 1.00 0.35 H new ATOM 0 HA ILE A 60 5.024 -7.379 -10.980 1.00 0.37 H new ATOM 0 HB ILE A 60 6.613 -9.139 -11.785 1.00 0.38 H new ATOM 0 HG12 ILE A 60 7.736 -9.685 -9.113 1.00 0.43 H new ATOM 0 HG13 ILE A 60 6.105 -10.307 -9.274 1.00 0.43 H new ATOM 0 HG21 ILE A 60 8.648 -8.077 -10.833 1.00 0.41 H new ATOM 0 HG22 ILE A 60 7.413 -6.859 -11.232 1.00 0.41 H new ATOM 0 HG23 ILE A 60 7.661 -7.354 -9.540 1.00 0.41 H new ATOM 0 HD11 ILE A 60 7.763 -11.982 -10.051 1.00 0.62 H new ATOM 0 HD12 ILE A 60 6.735 -11.447 -11.402 1.00 0.62 H new ATOM 0 HD13 ILE A 60 8.391 -10.815 -11.239 1.00 0.62 H new ATOM 895 N THR A 61 3.934 -9.615 -11.952 1.00 0.42 N ATOM 896 CA THR A 61 2.917 -10.646 -12.330 1.00 0.47 C ATOM 897 C THR A 61 3.622 -11.977 -12.632 1.00 0.49 C ATOM 898 O THR A 61 4.803 -12.010 -12.938 1.00 0.51 O ATOM 899 CB THR A 61 2.146 -10.178 -13.575 1.00 0.52 C ATOM 900 OG1 THR A 61 1.772 -8.812 -13.423 1.00 0.55 O ATOM 901 CG2 THR A 61 0.889 -11.032 -13.760 1.00 0.61 C ATOM 0 H THR A 61 4.404 -9.167 -12.738 1.00 0.42 H new ATOM 0 HA THR A 61 2.219 -10.785 -11.504 1.00 0.47 H new ATOM 0 HB THR A 61 2.787 -10.284 -14.450 1.00 0.52 H new ATOM 0 HG1 THR A 61 1.003 -8.618 -13.998 1.00 0.55 H new ATOM 0 HG21 THR A 61 0.347 -10.695 -14.644 1.00 0.61 H new ATOM 0 HG22 THR A 61 1.174 -12.077 -13.885 1.00 0.61 H new ATOM 0 HG23 THR A 61 0.250 -10.933 -12.883 1.00 0.61 H new ATOM 909 N ASN A 62 2.901 -13.073 -12.551 1.00 0.54 N ATOM 910 CA ASN A 62 3.507 -14.415 -12.834 1.00 0.58 C ATOM 911 C ASN A 62 4.048 -14.456 -14.274 1.00 0.62 C ATOM 912 O ASN A 62 4.943 -15.224 -14.580 1.00 0.68 O ATOM 913 CB ASN A 62 2.444 -15.503 -12.655 1.00 0.66 C ATOM 914 CG ASN A 62 2.534 -16.086 -11.242 1.00 0.67 C ATOM 915 OD1 ASN A 62 3.068 -17.161 -11.049 1.00 0.85 O ATOM 916 ND2 ASN A 62 2.034 -15.419 -10.236 1.00 0.73 N ATOM 0 H ASN A 62 1.913 -13.095 -12.299 1.00 0.54 H new ATOM 0 HA ASN A 62 4.329 -14.589 -12.140 1.00 0.58 H new ATOM 0 HB2 ASN A 62 1.451 -15.086 -12.824 1.00 0.66 H new ATOM 0 HB3 ASN A 62 2.589 -16.291 -13.394 1.00 0.66 H new ATOM 0 HD21 ASN A 62 2.092 -15.800 -9.292 1.00 0.73 H new ATOM 0 HD22 ASN A 62 1.585 -14.517 -10.395 1.00 0.73 H new ATOM 923 N ASP A 63 3.516 -13.635 -15.154 1.00 0.63 N ATOM 924 CA ASP A 63 3.999 -13.617 -16.570 1.00 0.71 C ATOM 925 C ASP A 63 5.306 -12.819 -16.651 1.00 0.69 C ATOM 926 O ASP A 63 6.273 -13.265 -17.241 1.00 0.81 O ATOM 927 CB ASP A 63 2.943 -12.950 -17.463 1.00 0.76 C ATOM 928 CG ASP A 63 2.202 -14.017 -18.275 1.00 1.60 C ATOM 929 OD1 ASP A 63 1.219 -14.538 -17.774 1.00 2.14 O ATOM 930 OD2 ASP A 63 2.628 -14.290 -19.386 1.00 2.18 O ATOM 0 H ASP A 63 2.766 -12.976 -14.948 1.00 0.63 H new ATOM 0 HA ASP A 63 4.171 -14.639 -16.908 1.00 0.71 H new ATOM 0 HB2 ASP A 63 2.236 -12.390 -16.850 1.00 0.76 H new ATOM 0 HB3 ASP A 63 3.420 -12.235 -18.134 1.00 0.76 H new ATOM 935 N GLY A 64 5.337 -11.647 -16.058 1.00 0.63 N ATOM 936 CA GLY A 64 6.575 -10.809 -16.088 1.00 0.62 C ATOM 937 C GLY A 64 6.199 -9.334 -16.259 1.00 0.60 C ATOM 938 O GLY A 64 6.611 -8.687 -17.204 1.00 0.68 O ATOM 0 H GLY A 64 4.552 -11.235 -15.553 1.00 0.63 H new ATOM 0 HA2 GLY A 64 7.140 -10.945 -15.166 1.00 0.62 H new ATOM 0 HA3 GLY A 64 7.220 -11.127 -16.907 1.00 0.62 H new ATOM 942 N VAL A 65 5.419 -8.803 -15.345 1.00 0.54 N ATOM 943 CA VAL A 65 5.006 -7.367 -15.429 1.00 0.52 C ATOM 944 C VAL A 65 5.175 -6.719 -14.050 1.00 0.46 C ATOM 945 O VAL A 65 4.572 -7.142 -13.081 1.00 0.46 O ATOM 946 CB VAL A 65 3.538 -7.272 -15.870 1.00 0.55 C ATOM 947 CG1 VAL A 65 3.175 -5.806 -16.125 1.00 0.63 C ATOM 948 CG2 VAL A 65 3.332 -8.075 -17.159 1.00 0.72 C ATOM 0 H VAL A 65 5.049 -9.308 -14.540 1.00 0.54 H new ATOM 0 HA VAL A 65 5.628 -6.849 -16.159 1.00 0.52 H new ATOM 0 HB VAL A 65 2.900 -7.677 -15.084 1.00 0.55 H new ATOM 0 HG11 VAL A 65 2.133 -5.738 -16.438 1.00 0.63 H new ATOM 0 HG12 VAL A 65 3.317 -5.231 -15.210 1.00 0.63 H new ATOM 0 HG13 VAL A 65 3.816 -5.403 -16.909 1.00 0.63 H new ATOM 0 HG21 VAL A 65 2.289 -8.005 -17.469 1.00 0.72 H new ATOM 0 HG22 VAL A 65 3.971 -7.672 -17.945 1.00 0.72 H new ATOM 0 HG23 VAL A 65 3.589 -9.119 -16.982 1.00 0.72 H new ATOM 958 N GLY A 66 5.997 -5.700 -13.957 1.00 0.46 N ATOM 959 CA GLY A 66 6.228 -5.018 -12.648 1.00 0.43 C ATOM 960 C GLY A 66 5.030 -4.138 -12.295 1.00 0.41 C ATOM 961 O GLY A 66 5.000 -2.961 -12.602 1.00 0.48 O ATOM 0 H GLY A 66 6.521 -5.310 -14.740 1.00 0.46 H new ATOM 0 HA2 GLY A 66 6.387 -5.760 -11.866 1.00 0.43 H new ATOM 0 HA3 GLY A 66 7.132 -4.411 -12.700 1.00 0.43 H new ATOM 965 N VAL A 67 4.049 -4.710 -11.644 1.00 0.38 N ATOM 966 CA VAL A 67 2.834 -3.931 -11.247 1.00 0.41 C ATOM 967 C VAL A 67 3.188 -2.986 -10.090 1.00 0.39 C ATOM 968 O VAL A 67 3.796 -3.385 -9.107 1.00 0.44 O ATOM 969 CB VAL A 67 1.719 -4.888 -10.803 1.00 0.45 C ATOM 970 CG1 VAL A 67 0.401 -4.119 -10.687 1.00 0.50 C ATOM 971 CG2 VAL A 67 1.561 -6.013 -11.830 1.00 0.54 C ATOM 0 H VAL A 67 4.037 -5.692 -11.368 1.00 0.38 H new ATOM 0 HA VAL A 67 2.487 -3.350 -12.102 1.00 0.41 H new ATOM 0 HB VAL A 67 1.980 -5.316 -9.835 1.00 0.45 H new ATOM 0 HG11 VAL A 67 -0.390 -4.799 -10.372 1.00 0.50 H new ATOM 0 HG12 VAL A 67 0.509 -3.322 -9.952 1.00 0.50 H new ATOM 0 HG13 VAL A 67 0.145 -3.688 -11.655 1.00 0.50 H new ATOM 0 HG21 VAL A 67 0.768 -6.689 -11.510 1.00 0.54 H new ATOM 0 HG22 VAL A 67 1.305 -5.587 -12.800 1.00 0.54 H new ATOM 0 HG23 VAL A 67 2.497 -6.565 -11.912 1.00 0.54 H new ATOM 981 N ASN A 68 2.809 -1.738 -10.208 1.00 0.40 N ATOM 982 CA ASN A 68 3.108 -0.742 -9.134 1.00 0.40 C ATOM 983 C ASN A 68 1.805 -0.328 -8.432 1.00 0.36 C ATOM 984 O ASN A 68 0.727 -0.511 -8.970 1.00 0.36 O ATOM 985 CB ASN A 68 3.762 0.495 -9.761 1.00 0.47 C ATOM 986 CG ASN A 68 5.251 0.228 -9.995 1.00 0.59 C ATOM 987 OD1 ASN A 68 6.048 0.332 -9.084 1.00 0.82 O ATOM 988 ND2 ASN A 68 5.662 -0.113 -11.186 1.00 0.71 N ATOM 0 H ASN A 68 2.301 -1.364 -11.009 1.00 0.40 H new ATOM 0 HA ASN A 68 3.784 -1.188 -8.404 1.00 0.40 H new ATOM 0 HB2 ASN A 68 3.273 0.738 -10.705 1.00 0.47 H new ATOM 0 HB3 ASN A 68 3.636 1.357 -9.106 1.00 0.47 H new ATOM 0 HD21 ASN A 68 6.652 -0.292 -11.352 1.00 0.71 H new ATOM 0 HD22 ASN A 68 4.993 -0.200 -11.951 1.00 0.71 H new ATOM 995 N PRO A 69 1.950 0.230 -7.248 1.00 0.39 N ATOM 996 CA PRO A 69 0.809 0.700 -6.439 1.00 0.42 C ATOM 997 C PRO A 69 0.305 2.046 -6.985 1.00 0.43 C ATOM 998 O PRO A 69 0.405 3.075 -6.339 1.00 0.51 O ATOM 999 CB PRO A 69 1.402 0.844 -5.031 1.00 0.50 C ATOM 1000 CG PRO A 69 2.929 1.004 -5.216 1.00 0.51 C ATOM 1001 CD PRO A 69 3.266 0.445 -6.611 1.00 0.45 C ATOM 0 HA PRO A 69 -0.049 0.028 -6.454 1.00 0.42 H new ATOM 0 HB2 PRO A 69 0.980 1.708 -4.518 1.00 0.50 H new ATOM 0 HB3 PRO A 69 1.174 -0.031 -4.422 1.00 0.50 H new ATOM 0 HG2 PRO A 69 3.221 2.051 -5.138 1.00 0.51 H new ATOM 0 HG3 PRO A 69 3.472 0.463 -4.441 1.00 0.51 H new ATOM 0 HD2 PRO A 69 3.875 1.145 -7.183 1.00 0.45 H new ATOM 0 HD3 PRO A 69 3.830 -0.485 -6.541 1.00 0.45 H new ATOM 1009 N ALA A 70 -0.219 2.037 -8.187 1.00 0.42 N ATOM 1010 CA ALA A 70 -0.726 3.300 -8.812 1.00 0.50 C ATOM 1011 C ALA A 70 -2.105 3.062 -9.446 1.00 0.49 C ATOM 1012 O ALA A 70 -2.992 3.889 -9.333 1.00 0.60 O ATOM 1013 CB ALA A 70 0.259 3.755 -9.895 1.00 0.56 C ATOM 0 H ALA A 70 -0.318 1.203 -8.766 1.00 0.42 H new ATOM 0 HA ALA A 70 -0.817 4.068 -8.044 1.00 0.50 H new ATOM 0 HB1 ALA A 70 -0.104 4.674 -10.354 1.00 0.56 H new ATOM 0 HB2 ALA A 70 1.236 3.935 -9.446 1.00 0.56 H new ATOM 0 HB3 ALA A 70 0.347 2.980 -10.656 1.00 0.56 H new ATOM 1019 N GLN A 71 -2.288 1.944 -10.115 1.00 0.44 N ATOM 1020 CA GLN A 71 -3.605 1.648 -10.764 1.00 0.47 C ATOM 1021 C GLN A 71 -4.600 1.123 -9.717 1.00 0.43 C ATOM 1022 O GLN A 71 -4.201 0.663 -8.663 1.00 0.42 O ATOM 1023 CB GLN A 71 -3.409 0.587 -11.854 1.00 0.53 C ATOM 1024 CG GLN A 71 -2.459 1.119 -12.932 1.00 0.68 C ATOM 1025 CD GLN A 71 -1.103 0.417 -12.809 1.00 0.79 C ATOM 1026 OE1 GLN A 71 -0.180 0.951 -12.224 1.00 1.08 O ATOM 1027 NE2 GLN A 71 -0.941 -0.766 -13.338 1.00 0.81 N ATOM 0 H GLN A 71 -1.577 1.223 -10.238 1.00 0.44 H new ATOM 0 HA GLN A 71 -3.999 2.563 -11.206 1.00 0.47 H new ATOM 0 HB2 GLN A 71 -3.003 -0.326 -11.417 1.00 0.53 H new ATOM 0 HB3 GLN A 71 -4.370 0.328 -12.299 1.00 0.53 H new ATOM 0 HG2 GLN A 71 -2.882 0.946 -13.922 1.00 0.68 H new ATOM 0 HG3 GLN A 71 -2.334 2.196 -12.822 1.00 0.68 H new ATOM 0 HE21 GLN A 71 -1.714 -1.215 -13.829 1.00 0.81 H new ATOM 0 HE22 GLN A 71 -0.042 -1.241 -13.260 1.00 0.81 H new ATOM 1036 N PRO A 72 -5.871 1.205 -10.044 1.00 0.43 N ATOM 1037 CA PRO A 72 -6.958 0.741 -9.155 1.00 0.43 C ATOM 1038 C PRO A 72 -7.071 -0.791 -9.194 1.00 0.42 C ATOM 1039 O PRO A 72 -6.637 -1.430 -10.136 1.00 0.46 O ATOM 1040 CB PRO A 72 -8.210 1.398 -9.742 1.00 0.48 C ATOM 1041 CG PRO A 72 -7.882 1.724 -11.218 1.00 0.50 C ATOM 1042 CD PRO A 72 -6.346 1.767 -11.328 1.00 0.48 C ATOM 0 HA PRO A 72 -6.796 1.004 -8.110 1.00 0.43 H new ATOM 0 HB2 PRO A 72 -9.068 0.729 -9.674 1.00 0.48 H new ATOM 0 HB3 PRO A 72 -8.467 2.303 -9.192 1.00 0.48 H new ATOM 0 HG2 PRO A 72 -8.297 0.967 -11.884 1.00 0.50 H new ATOM 0 HG3 PRO A 72 -8.318 2.679 -11.510 1.00 0.50 H new ATOM 0 HD2 PRO A 72 -5.991 1.179 -12.175 1.00 0.48 H new ATOM 0 HD3 PRO A 72 -5.986 2.785 -11.474 1.00 0.48 H new ATOM 1050 N ALA A 73 -7.652 -1.378 -8.171 1.00 0.43 N ATOM 1051 CA ALA A 73 -7.804 -2.868 -8.123 1.00 0.45 C ATOM 1052 C ALA A 73 -8.542 -3.367 -9.375 1.00 0.48 C ATOM 1053 O ALA A 73 -8.206 -4.401 -9.924 1.00 0.54 O ATOM 1054 CB ALA A 73 -8.599 -3.260 -6.875 1.00 0.51 C ATOM 0 H ALA A 73 -8.029 -0.884 -7.362 1.00 0.43 H new ATOM 0 HA ALA A 73 -6.814 -3.324 -8.088 1.00 0.45 H new ATOM 0 HB1 ALA A 73 -8.710 -4.344 -6.840 1.00 0.51 H new ATOM 0 HB2 ALA A 73 -8.070 -2.920 -5.985 1.00 0.51 H new ATOM 0 HB3 ALA A 73 -9.584 -2.796 -6.911 1.00 0.51 H new ATOM 1060 N GLY A 74 -9.539 -2.639 -9.828 1.00 0.51 N ATOM 1061 CA GLY A 74 -10.302 -3.061 -11.044 1.00 0.58 C ATOM 1062 C GLY A 74 -9.357 -3.161 -12.250 1.00 0.57 C ATOM 1063 O GLY A 74 -9.389 -4.128 -12.988 1.00 0.63 O ATOM 0 H GLY A 74 -9.856 -1.767 -9.404 1.00 0.51 H new ATOM 0 HA2 GLY A 74 -10.781 -4.024 -10.866 1.00 0.58 H new ATOM 0 HA3 GLY A 74 -11.096 -2.344 -11.252 1.00 0.58 H new ATOM 1067 N ASN A 75 -8.516 -2.169 -12.448 1.00 0.57 N ATOM 1068 CA ASN A 75 -7.561 -2.195 -13.603 1.00 0.61 C ATOM 1069 C ASN A 75 -6.494 -3.276 -13.376 1.00 0.57 C ATOM 1070 O ASN A 75 -6.088 -3.956 -14.301 1.00 0.62 O ATOM 1071 CB ASN A 75 -6.882 -0.829 -13.736 1.00 0.65 C ATOM 1072 CG ASN A 75 -6.323 -0.664 -15.151 1.00 0.98 C ATOM 1073 OD1 ASN A 75 -7.037 -0.280 -16.057 1.00 1.29 O ATOM 1074 ND2 ASN A 75 -5.067 -0.939 -15.382 1.00 1.34 N ATOM 0 H ASN A 75 -8.451 -1.341 -11.856 1.00 0.57 H new ATOM 0 HA ASN A 75 -8.111 -2.421 -14.516 1.00 0.61 H new ATOM 0 HB2 ASN A 75 -7.597 -0.035 -13.523 1.00 0.65 H new ATOM 0 HB3 ASN A 75 -6.079 -0.739 -13.005 1.00 0.65 H new ATOM 0 HD21 ASN A 75 -4.686 -0.831 -16.322 1.00 1.34 H new ATOM 0 HD22 ASN A 75 -4.467 -1.261 -14.622 1.00 1.34 H new ATOM 1081 N ILE A 76 -6.040 -3.436 -12.152 1.00 0.53 N ATOM 1082 CA ILE A 76 -4.998 -4.472 -11.851 1.00 0.52 C ATOM 1083 C ILE A 76 -5.555 -5.869 -12.165 1.00 0.54 C ATOM 1084 O ILE A 76 -4.881 -6.689 -12.759 1.00 0.60 O ATOM 1085 CB ILE A 76 -4.611 -4.393 -10.367 1.00 0.53 C ATOM 1086 CG1 ILE A 76 -3.964 -3.030 -10.073 1.00 0.52 C ATOM 1087 CG2 ILE A 76 -3.627 -5.518 -10.020 1.00 0.57 C ATOM 1088 CD1 ILE A 76 -2.633 -2.904 -10.823 1.00 0.57 C ATOM 0 H ILE A 76 -6.348 -2.891 -11.347 1.00 0.53 H new ATOM 0 HA ILE A 76 -4.116 -4.289 -12.465 1.00 0.52 H new ATOM 0 HB ILE A 76 -5.509 -4.506 -9.759 1.00 0.53 H new ATOM 0 HG12 ILE A 76 -4.637 -2.227 -10.374 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.798 -2.922 -9.001 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -3.358 -5.454 -8.966 1.00 0.57 H new ATOM 0 HG22 ILE A 76 -4.093 -6.483 -10.218 1.00 0.57 H new ATOM 0 HG23 ILE A 76 -2.729 -5.417 -10.630 1.00 0.57 H new ATOM 0 HD11 ILE A 76 -2.184 -1.935 -10.607 1.00 0.57 H new ATOM 0 HD12 ILE A 76 -1.957 -3.697 -10.501 1.00 0.57 H new ATOM 0 HD13 ILE A 76 -2.810 -2.991 -11.895 1.00 0.57 H new ATOM 1100 N PHE A 77 -6.780 -6.138 -11.771 1.00 0.53 N ATOM 1101 CA PHE A 77 -7.392 -7.476 -12.043 1.00 0.57 C ATOM 1102 C PHE A 77 -7.695 -7.614 -13.543 1.00 0.62 C ATOM 1103 O PHE A 77 -7.561 -8.681 -14.114 1.00 0.70 O ATOM 1104 CB PHE A 77 -8.689 -7.616 -11.239 1.00 0.60 C ATOM 1105 CG PHE A 77 -9.084 -9.073 -11.155 1.00 0.64 C ATOM 1106 CD1 PHE A 77 -8.582 -9.878 -10.125 1.00 0.67 C ATOM 1107 CD2 PHE A 77 -9.952 -9.617 -12.109 1.00 0.75 C ATOM 1108 CE1 PHE A 77 -8.950 -11.227 -10.050 1.00 0.73 C ATOM 1109 CE2 PHE A 77 -10.319 -10.964 -12.034 1.00 0.81 C ATOM 1110 CZ PHE A 77 -9.818 -11.770 -11.003 1.00 0.76 C ATOM 0 H PHE A 77 -7.382 -5.484 -11.271 1.00 0.53 H new ATOM 0 HA PHE A 77 -6.695 -8.260 -11.747 1.00 0.57 H new ATOM 0 HB2 PHE A 77 -8.553 -7.208 -10.237 1.00 0.60 H new ATOM 0 HB3 PHE A 77 -9.485 -7.041 -11.712 1.00 0.60 H new ATOM 0 HD1 PHE A 77 -7.912 -9.459 -9.389 1.00 0.67 H new ATOM 0 HD2 PHE A 77 -10.338 -8.996 -12.903 1.00 0.75 H new ATOM 0 HE1 PHE A 77 -8.563 -11.849 -9.256 1.00 0.73 H new ATOM 0 HE2 PHE A 77 -10.988 -11.383 -12.771 1.00 0.81 H new ATOM 0 HZ PHE A 77 -10.102 -12.810 -10.944 1.00 0.76 H new ATOM 1120 N LEU A 78 -8.101 -6.541 -14.184 1.00 0.63 N ATOM 1121 CA LEU A 78 -8.414 -6.597 -15.647 1.00 0.70 C ATOM 1122 C LEU A 78 -7.136 -6.879 -16.452 1.00 0.73 C ATOM 1123 O LEU A 78 -7.181 -7.531 -17.480 1.00 0.87 O ATOM 1124 CB LEU A 78 -9.000 -5.249 -16.094 1.00 0.72 C ATOM 1125 CG LEU A 78 -10.510 -5.376 -16.335 1.00 0.80 C ATOM 1126 CD1 LEU A 78 -10.768 -6.272 -17.550 1.00 0.94 C ATOM 1127 CD2 LEU A 78 -11.183 -5.985 -15.100 1.00 0.84 C ATOM 0 H LEU A 78 -8.229 -5.625 -13.753 1.00 0.63 H new ATOM 0 HA LEU A 78 -9.134 -7.396 -15.824 1.00 0.70 H new ATOM 0 HB2 LEU A 78 -8.809 -4.492 -15.333 1.00 0.72 H new ATOM 0 HB3 LEU A 78 -8.506 -4.915 -17.007 1.00 0.72 H new ATOM 0 HG LEU A 78 -10.925 -4.385 -16.522 1.00 0.80 H new ATOM 0 HD11 LEU A 78 -11.842 -6.359 -17.717 1.00 0.94 H new ATOM 0 HD12 LEU A 78 -10.298 -5.835 -18.431 1.00 0.94 H new ATOM 0 HD13 LEU A 78 -10.348 -7.261 -17.368 1.00 0.94 H new ATOM 0 HD21 LEU A 78 -12.255 -6.073 -15.276 1.00 0.84 H new ATOM 0 HD22 LEU A 78 -10.764 -6.973 -14.908 1.00 0.84 H new ATOM 0 HD23 LEU A 78 -11.009 -5.343 -14.237 1.00 0.84 H new ATOM 1139 N LYS A 79 -6.004 -6.381 -16.005 1.00 0.69 N ATOM 1140 CA LYS A 79 -4.728 -6.600 -16.755 1.00 0.74 C ATOM 1141 C LYS A 79 -4.004 -7.856 -16.253 1.00 0.72 C ATOM 1142 O LYS A 79 -3.732 -8.764 -17.018 1.00 0.86 O ATOM 1143 CB LYS A 79 -3.813 -5.385 -16.567 1.00 0.75 C ATOM 1144 CG LYS A 79 -3.480 -4.781 -17.929 1.00 1.13 C ATOM 1145 CD LYS A 79 -3.745 -3.274 -17.900 1.00 1.78 C ATOM 1146 CE LYS A 79 -3.761 -2.736 -19.332 1.00 2.40 C ATOM 1147 NZ LYS A 79 -5.116 -2.209 -19.665 1.00 3.25 N ATOM 0 H LYS A 79 -5.912 -5.831 -15.151 1.00 0.69 H new ATOM 0 HA LYS A 79 -4.968 -6.734 -17.810 1.00 0.74 H new ATOM 0 HB2 LYS A 79 -4.303 -4.642 -15.938 1.00 0.75 H new ATOM 0 HB3 LYS A 79 -2.897 -5.682 -16.056 1.00 0.75 H new ATOM 0 HG2 LYS A 79 -2.436 -4.972 -18.178 1.00 1.13 H new ATOM 0 HG3 LYS A 79 -4.084 -5.252 -18.705 1.00 1.13 H new ATOM 0 HD2 LYS A 79 -4.698 -3.070 -17.412 1.00 1.78 H new ATOM 0 HD3 LYS A 79 -2.974 -2.769 -17.318 1.00 1.78 H new ATOM 0 HE2 LYS A 79 -3.018 -1.946 -19.441 1.00 2.40 H new ATOM 0 HE3 LYS A 79 -3.488 -3.528 -20.030 1.00 2.40 H new ATOM 0 HZ1 LYS A 79 -5.117 -1.846 -20.639 1.00 3.25 H new ATOM 0 HZ2 LYS A 79 -5.816 -2.973 -19.579 1.00 3.25 H new ATOM 0 HZ3 LYS A 79 -5.360 -1.440 -19.009 1.00 3.25 H new ATOM 1161 N HIS A 80 -3.673 -7.906 -14.985 1.00 0.63 N ATOM 1162 CA HIS A 80 -2.941 -9.093 -14.439 1.00 0.69 C ATOM 1163 C HIS A 80 -3.943 -10.122 -13.901 1.00 0.70 C ATOM 1164 O HIS A 80 -3.885 -11.288 -14.248 1.00 0.85 O ATOM 1165 CB HIS A 80 -1.998 -8.647 -13.309 1.00 0.73 C ATOM 1166 CG HIS A 80 -1.335 -7.343 -13.675 1.00 0.78 C ATOM 1167 ND1 HIS A 80 -0.402 -7.242 -14.697 1.00 0.85 N ATOM 1168 CD2 HIS A 80 -1.472 -6.074 -13.168 1.00 0.86 C ATOM 1169 CE1 HIS A 80 -0.018 -5.955 -14.769 1.00 0.92 C ATOM 1170 NE2 HIS A 80 -0.640 -5.200 -13.860 1.00 0.93 N ATOM 0 H HIS A 80 -3.878 -7.175 -14.304 1.00 0.63 H new ATOM 0 HA HIS A 80 -2.355 -9.549 -15.237 1.00 0.69 H new ATOM 0 HB2 HIS A 80 -2.558 -8.532 -12.381 1.00 0.73 H new ATOM 0 HB3 HIS A 80 -1.242 -9.412 -13.132 1.00 0.73 H new ATOM 0 HD2 HIS A 80 -2.127 -5.797 -12.355 1.00 0.86 H new ATOM 0 HE1 HIS A 80 0.706 -5.578 -15.476 1.00 0.92 H new ATOM 0 HE2 HIS A 80 -0.529 -4.198 -13.706 1.00 0.93 H new ATOM 1178 N GLY A 81 -4.861 -9.699 -13.060 1.00 0.64 N ATOM 1179 CA GLY A 81 -5.873 -10.646 -12.498 1.00 0.66 C ATOM 1180 C GLY A 81 -5.532 -10.963 -11.039 1.00 0.64 C ATOM 1181 O GLY A 81 -5.401 -10.074 -10.218 1.00 0.71 O ATOM 0 H GLY A 81 -4.950 -8.735 -12.740 1.00 0.64 H new ATOM 0 HA2 GLY A 81 -6.869 -10.208 -12.561 1.00 0.66 H new ATOM 0 HA3 GLY A 81 -5.891 -11.564 -13.085 1.00 0.66 H new ATOM 1185 N SER A 82 -5.396 -12.229 -10.716 1.00 0.67 N ATOM 1186 CA SER A 82 -5.069 -12.625 -9.310 1.00 0.68 C ATOM 1187 C SER A 82 -3.636 -13.172 -9.234 1.00 0.67 C ATOM 1188 O SER A 82 -2.929 -12.923 -8.276 1.00 0.69 O ATOM 1189 CB SER A 82 -6.057 -13.698 -8.844 1.00 0.73 C ATOM 1190 OG SER A 82 -6.184 -13.636 -7.428 1.00 0.81 O ATOM 0 H SER A 82 -5.498 -13.006 -11.369 1.00 0.67 H new ATOM 0 HA SER A 82 -5.146 -11.751 -8.664 1.00 0.68 H new ATOM 0 HB2 SER A 82 -7.028 -13.544 -9.315 1.00 0.73 H new ATOM 0 HB3 SER A 82 -5.709 -14.686 -9.147 1.00 0.73 H new ATOM 0 HG SER A 82 -6.687 -14.415 -7.110 1.00 0.81 H new ATOM 1196 N GLU A 83 -3.206 -13.917 -10.231 1.00 0.71 N ATOM 1197 CA GLU A 83 -1.819 -14.485 -10.217 1.00 0.73 C ATOM 1198 C GLU A 83 -0.789 -13.345 -10.165 1.00 0.64 C ATOM 1199 O GLU A 83 -0.498 -12.709 -11.163 1.00 0.70 O ATOM 1200 CB GLU A 83 -1.601 -15.328 -11.481 1.00 0.85 C ATOM 1201 CG GLU A 83 -1.944 -16.792 -11.186 1.00 0.96 C ATOM 1202 CD GLU A 83 -0.687 -17.532 -10.718 1.00 1.09 C ATOM 1203 OE1 GLU A 83 -0.437 -17.539 -9.524 1.00 1.22 O ATOM 1204 OE2 GLU A 83 0.005 -18.080 -11.562 1.00 1.25 O ATOM 0 H GLU A 83 -3.759 -14.155 -11.054 1.00 0.71 H new ATOM 0 HA GLU A 83 -1.694 -15.115 -9.336 1.00 0.73 H new ATOM 0 HB2 GLU A 83 -2.225 -14.954 -12.292 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -0.566 -15.246 -11.811 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -2.717 -16.847 -10.419 1.00 0.96 H new ATOM 0 HG3 GLU A 83 -2.347 -17.269 -12.080 1.00 0.96 H new ATOM 1211 N LEU A 84 -0.241 -13.087 -8.997 1.00 0.57 N ATOM 1212 CA LEU A 84 0.771 -11.993 -8.845 1.00 0.51 C ATOM 1213 C LEU A 84 1.908 -12.458 -7.922 1.00 0.45 C ATOM 1214 O LEU A 84 1.787 -13.445 -7.216 1.00 0.48 O ATOM 1215 CB LEU A 84 0.097 -10.757 -8.238 1.00 0.50 C ATOM 1216 CG LEU A 84 -0.687 -10.012 -9.324 1.00 0.58 C ATOM 1217 CD1 LEU A 84 -1.969 -9.426 -8.724 1.00 0.93 C ATOM 1218 CD2 LEU A 84 0.177 -8.879 -9.888 1.00 0.62 C ATOM 0 H LEU A 84 -0.455 -13.593 -8.137 1.00 0.57 H new ATOM 0 HA LEU A 84 1.181 -11.745 -9.824 1.00 0.51 H new ATOM 0 HB2 LEU A 84 -0.573 -11.055 -7.432 1.00 0.50 H new ATOM 0 HB3 LEU A 84 0.848 -10.099 -7.801 1.00 0.50 H new ATOM 0 HG LEU A 84 -0.947 -10.706 -10.123 1.00 0.58 H new ATOM 0 HD11 LEU A 84 -2.524 -8.897 -9.498 1.00 0.93 H new ATOM 0 HD12 LEU A 84 -2.584 -10.231 -8.322 1.00 0.93 H new ATOM 0 HD13 LEU A 84 -1.712 -8.732 -7.924 1.00 0.93 H new ATOM 0 HD21 LEU A 84 -0.379 -8.348 -10.661 1.00 0.62 H new ATOM 0 HD22 LEU A 84 0.437 -8.187 -9.087 1.00 0.62 H new ATOM 0 HD23 LEU A 84 1.088 -9.296 -10.318 1.00 0.62 H new ATOM 1230 N ARG A 85 3.015 -11.752 -7.929 1.00 0.43 N ATOM 1231 CA ARG A 85 4.176 -12.141 -7.066 1.00 0.39 C ATOM 1232 C ARG A 85 4.764 -10.896 -6.389 1.00 0.35 C ATOM 1233 O ARG A 85 4.708 -9.804 -6.924 1.00 0.39 O ATOM 1234 CB ARG A 85 5.257 -12.804 -7.928 1.00 0.42 C ATOM 1235 CG ARG A 85 4.631 -13.897 -8.804 1.00 0.60 C ATOM 1236 CD ARG A 85 5.461 -15.178 -8.703 1.00 1.01 C ATOM 1237 NE ARG A 85 4.697 -16.213 -7.948 1.00 1.35 N ATOM 1238 CZ ARG A 85 5.327 -17.230 -7.419 1.00 1.38 C ATOM 1239 NH1 ARG A 85 5.829 -17.132 -6.214 1.00 1.24 N ATOM 1240 NH2 ARG A 85 5.457 -18.341 -8.101 1.00 2.04 N ATOM 0 H ARG A 85 3.164 -10.919 -8.498 1.00 0.43 H new ATOM 0 HA ARG A 85 3.833 -12.840 -6.303 1.00 0.39 H new ATOM 0 HB2 ARG A 85 5.742 -12.057 -8.556 1.00 0.42 H new ATOM 0 HB3 ARG A 85 6.029 -13.235 -7.290 1.00 0.42 H new ATOM 0 HG2 ARG A 85 3.607 -14.090 -8.485 1.00 0.60 H new ATOM 0 HG3 ARG A 85 4.584 -13.563 -9.841 1.00 0.60 H new ATOM 0 HD2 ARG A 85 5.703 -15.546 -9.700 1.00 1.01 H new ATOM 0 HD3 ARG A 85 6.406 -14.972 -8.201 1.00 1.01 H new ATOM 0 HE ARG A 85 3.686 -16.128 -7.844 1.00 1.35 H new ATOM 0 HH11 ARG A 85 5.729 -16.263 -5.689 1.00 1.24 H new ATOM 0 HH12 ARG A 85 6.320 -17.924 -5.800 1.00 1.24 H new ATOM 0 HH21 ARG A 85 5.068 -18.411 -9.041 1.00 2.04 H new ATOM 0 HH22 ARG A 85 5.948 -19.136 -7.692 1.00 2.04 H new ATOM 1254 N LEU A 86 5.334 -11.058 -5.217 1.00 0.33 N ATOM 1255 CA LEU A 86 5.936 -9.892 -4.498 1.00 0.32 C ATOM 1256 C LEU A 86 7.452 -9.869 -4.727 1.00 0.33 C ATOM 1257 O LEU A 86 8.101 -10.901 -4.779 1.00 0.44 O ATOM 1258 CB LEU A 86 5.650 -10.001 -2.997 1.00 0.35 C ATOM 1259 CG LEU A 86 5.511 -8.596 -2.397 1.00 0.44 C ATOM 1260 CD1 LEU A 86 4.298 -8.552 -1.463 1.00 0.45 C ATOM 1261 CD2 LEU A 86 6.777 -8.249 -1.607 1.00 0.61 C ATOM 0 H LEU A 86 5.408 -11.950 -4.728 1.00 0.33 H new ATOM 0 HA LEU A 86 5.496 -8.972 -4.883 1.00 0.32 H new ATOM 0 HB2 LEU A 86 4.736 -10.571 -2.831 1.00 0.35 H new ATOM 0 HB3 LEU A 86 6.456 -10.541 -2.501 1.00 0.35 H new ATOM 0 HG LEU A 86 5.374 -7.873 -3.201 1.00 0.44 H new ATOM 0 HD11 LEU A 86 4.202 -7.553 -1.038 1.00 0.45 H new ATOM 0 HD12 LEU A 86 3.397 -8.795 -2.025 1.00 0.45 H new ATOM 0 HD13 LEU A 86 4.431 -9.276 -0.660 1.00 0.45 H new ATOM 0 HD21 LEU A 86 6.678 -7.251 -1.181 1.00 0.61 H new ATOM 0 HD22 LEU A 86 6.915 -8.974 -0.805 1.00 0.61 H new ATOM 0 HD23 LEU A 86 7.640 -8.275 -2.273 1.00 0.61 H new ATOM 1273 N ILE A 87 8.014 -8.693 -4.863 1.00 0.34 N ATOM 1274 CA ILE A 87 9.487 -8.568 -5.094 1.00 0.37 C ATOM 1275 C ILE A 87 9.954 -7.178 -4.618 1.00 0.37 C ATOM 1276 O ILE A 87 9.258 -6.197 -4.811 1.00 0.36 O ATOM 1277 CB ILE A 87 9.775 -8.749 -6.597 1.00 0.39 C ATOM 1278 CG1 ILE A 87 11.283 -8.650 -6.860 1.00 0.49 C ATOM 1279 CG2 ILE A 87 9.045 -7.672 -7.407 1.00 0.42 C ATOM 1280 CD1 ILE A 87 11.567 -8.906 -8.343 1.00 0.55 C ATOM 0 H ILE A 87 7.511 -7.807 -4.823 1.00 0.34 H new ATOM 0 HA ILE A 87 10.027 -9.332 -4.535 1.00 0.37 H new ATOM 0 HB ILE A 87 9.419 -9.733 -6.903 1.00 0.39 H new ATOM 0 HG12 ILE A 87 11.647 -7.663 -6.575 1.00 0.49 H new ATOM 0 HG13 ILE A 87 11.817 -9.376 -6.247 1.00 0.49 H new ATOM 0 HG21 ILE A 87 9.255 -7.809 -8.468 1.00 0.42 H new ATOM 0 HG22 ILE A 87 7.972 -7.754 -7.237 1.00 0.42 H new ATOM 0 HG23 ILE A 87 9.388 -6.686 -7.094 1.00 0.42 H new ATOM 0 HD11 ILE A 87 12.639 -8.835 -8.526 1.00 0.55 H new ATOM 0 HD12 ILE A 87 11.218 -9.903 -8.613 1.00 0.55 H new ATOM 0 HD13 ILE A 87 11.046 -8.163 -8.947 1.00 0.55 H new ATOM 1292 N PRO A 88 11.123 -7.130 -4.010 1.00 0.44 N ATOM 1293 CA PRO A 88 11.698 -5.868 -3.503 1.00 0.49 C ATOM 1294 C PRO A 88 12.205 -5.025 -4.675 1.00 0.45 C ATOM 1295 O PRO A 88 13.020 -5.475 -5.463 1.00 0.46 O ATOM 1296 CB PRO A 88 12.849 -6.328 -2.600 1.00 0.61 C ATOM 1297 CG PRO A 88 13.225 -7.750 -3.071 1.00 0.62 C ATOM 1298 CD PRO A 88 11.980 -8.315 -3.783 1.00 0.53 C ATOM 0 HA PRO A 88 10.983 -5.245 -2.966 1.00 0.49 H new ATOM 0 HB2 PRO A 88 13.701 -5.653 -2.681 1.00 0.61 H new ATOM 0 HB3 PRO A 88 12.545 -6.332 -1.553 1.00 0.61 H new ATOM 0 HG2 PRO A 88 14.080 -7.722 -3.747 1.00 0.62 H new ATOM 0 HG3 PRO A 88 13.507 -8.377 -2.226 1.00 0.62 H new ATOM 0 HD2 PRO A 88 12.244 -8.801 -4.722 1.00 0.53 H new ATOM 0 HD3 PRO A 88 11.474 -9.061 -3.169 1.00 0.53 H new