USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 469 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 22 CYS SG : rot 179:sc= 0.194 USER MOD Set 1.2: A 71 TYR OH : rot -124:sc= 0.212 USER MOD Set 2.1: A 9 THR OG1 : rot -68:sc= 1.2 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.1: A 10 GLN : amide:sc= 0 X(o=-0.016,f=-0.4) USER MOD Set 3.2: A 12 MET CE :methyl -158:sc= -0.0157 (180deg=-0.297) USER MOD Set 3.3: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 179:sc= -0.0455 (180deg=-0.0582) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 9:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -130:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00259) USER MOD Single : A 56 GLN : amide:sc=-0.00461 X(o=-0.0046,f=-0.39) USER MOD Single : A 58 SER OG : rot 114:sc= 1.29 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -7.353 -3.700 -17.255 1.00 0.00 N ATOM 2 CA PRO A 6 -7.302 -4.837 -16.312 1.00 0.00 C ATOM 3 C PRO A 6 -6.450 -4.522 -15.080 1.00 0.00 C ATOM 4 O PRO A 6 -5.772 -3.496 -15.045 1.00 0.00 O ATOM 5 CB PRO A 6 -6.791 -6.063 -17.091 1.00 0.00 C ATOM 6 CG PRO A 6 -6.674 -5.581 -18.540 1.00 0.00 C ATOM 7 CD PRO A 6 -7.568 -4.348 -18.555 1.00 0.00 C ATOM 0 HA PRO A 6 -8.296 -5.045 -15.917 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.829 -6.403 -16.708 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.482 -6.902 -17.007 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.645 -5.338 -18.804 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.015 -6.337 -19.247 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.305 -3.681 -19.376 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.614 -4.622 -18.690 1.00 0.00 H new ATOM 13 N LEU A 7 -6.433 -5.423 -14.093 1.00 0.00 N ATOM 14 CA LEU A 7 -5.496 -5.375 -12.977 1.00 0.00 C ATOM 15 C LEU A 7 -4.035 -5.314 -13.448 1.00 0.00 C ATOM 16 O LEU A 7 -3.645 -5.954 -14.430 1.00 0.00 O ATOM 17 CB LEU A 7 -5.783 -6.516 -11.973 1.00 0.00 C ATOM 18 CG LEU A 7 -5.399 -7.956 -12.394 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.671 -8.915 -11.225 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.172 -8.472 -13.617 1.00 0.00 C ATOM 0 H LEU A 7 -7.078 -6.212 -14.050 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.653 -4.441 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.259 -6.286 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.849 -6.505 -11.748 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.343 -7.922 -12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.402 -9.930 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.075 -8.616 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.729 -8.881 -10.965 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.848 -9.486 -13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.240 -8.473 -13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.977 -7.823 -14.471 1.00 0.00 H new ATOM 31 N LYS A 8 -3.224 -4.540 -12.731 1.00 0.00 N ATOM 32 CA LYS A 8 -1.799 -4.333 -13.011 1.00 0.00 C ATOM 33 C LYS A 8 -0.999 -4.187 -11.705 1.00 0.00 C ATOM 34 O LYS A 8 -1.522 -3.680 -10.705 1.00 0.00 O ATOM 35 CB LYS A 8 -1.611 -3.129 -13.957 1.00 0.00 C ATOM 36 CG LYS A 8 -2.142 -1.803 -13.396 1.00 0.00 C ATOM 37 CD LYS A 8 -1.731 -0.597 -14.251 1.00 0.00 C ATOM 38 CE LYS A 8 -2.026 0.675 -13.448 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.505 1.901 -14.095 1.00 0.00 N ATOM 0 H LYS A 8 -3.547 -4.022 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.405 -5.212 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.550 -3.018 -14.180 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.115 -3.340 -14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.229 -1.847 -13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.771 -1.667 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.672 -0.652 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.282 -0.591 -15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.103 0.772 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.588 0.581 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.734 2.728 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.473 1.826 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.942 2.011 -15.032 1.00 0.00 H new ATOM 49 N THR A 9 0.254 -4.649 -11.711 1.00 0.00 N ATOM 50 CA THR A 9 1.148 -4.713 -10.543 1.00 0.00 C ATOM 51 C THR A 9 2.034 -3.467 -10.497 1.00 0.00 C ATOM 52 O THR A 9 2.383 -2.922 -11.544 1.00 0.00 O ATOM 53 CB THR A 9 1.967 -6.010 -10.606 1.00 0.00 C ATOM 54 OG1 THR A 9 1.062 -7.090 -10.716 1.00 0.00 O ATOM 55 CG2 THR A 9 2.823 -6.251 -9.361 1.00 0.00 C ATOM 0 H THR A 9 0.694 -5.003 -12.560 1.00 0.00 H new ATOM 0 HA THR A 9 0.568 -4.728 -9.620 1.00 0.00 H new ATOM 0 HB THR A 9 2.641 -5.926 -11.458 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.554 -7.178 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.375 -7.184 -9.474 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.526 -5.427 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.179 -6.314 -8.484 1.00 0.00 H new ATOM 63 N GLN A 10 2.399 -3.012 -9.296 1.00 0.00 N ATOM 64 CA GLN A 10 3.276 -1.866 -9.076 1.00 0.00 C ATOM 65 C GLN A 10 3.831 -1.903 -7.648 1.00 0.00 C ATOM 66 O GLN A 10 3.288 -2.607 -6.789 1.00 0.00 O ATOM 67 CB GLN A 10 2.550 -0.538 -9.373 1.00 0.00 C ATOM 68 CG GLN A 10 1.433 -0.164 -8.390 1.00 0.00 C ATOM 69 CD GLN A 10 0.909 1.230 -8.720 1.00 0.00 C ATOM 70 OE1 GLN A 10 1.453 2.244 -8.295 1.00 0.00 O ATOM 71 NE2 GLN A 10 -0.131 1.354 -9.513 1.00 0.00 N ATOM 0 H GLN A 10 2.083 -3.444 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 10 4.114 -1.927 -9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.287 0.265 -9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.125 -0.592 -10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.624 -0.892 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.810 -0.189 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.597 0.523 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.472 2.282 -9.765 1.00 0.00 H new ATOM 78 N GLN A 11 4.880 -1.118 -7.390 1.00 0.00 N ATOM 79 CA GLN A 11 5.515 -0.994 -6.077 1.00 0.00 C ATOM 80 C GLN A 11 5.858 0.462 -5.739 1.00 0.00 C ATOM 81 O GLN A 11 6.023 1.301 -6.632 1.00 0.00 O ATOM 82 CB GLN A 11 6.742 -1.926 -5.972 1.00 0.00 C ATOM 83 CG GLN A 11 7.877 -1.637 -6.971 1.00 0.00 C ATOM 84 CD GLN A 11 9.141 -2.449 -6.671 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.130 -3.673 -6.573 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.284 -1.811 -6.523 1.00 0.00 N ATOM 0 H GLN A 11 5.321 -0.538 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 11 4.794 -1.316 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.144 -1.857 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.409 -2.954 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.535 -1.863 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.117 -0.574 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.314 -0.794 -6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.139 -2.334 -6.331 1.00 0.00 H new ATOM 93 N MET A 12 5.981 0.763 -4.444 1.00 0.00 N ATOM 94 CA MET A 12 6.135 2.116 -3.901 1.00 0.00 C ATOM 95 C MET A 12 6.786 2.115 -2.509 1.00 0.00 C ATOM 96 O MET A 12 6.899 1.076 -1.857 1.00 0.00 O ATOM 97 CB MET A 12 4.774 2.842 -3.899 1.00 0.00 C ATOM 98 CG MET A 12 3.717 2.256 -2.949 1.00 0.00 C ATOM 99 SD MET A 12 2.811 0.792 -3.525 1.00 0.00 S ATOM 100 CE MET A 12 1.857 1.532 -4.875 1.00 0.00 C ATOM 0 H MET A 12 5.976 0.046 -3.718 1.00 0.00 H new ATOM 0 HA MET A 12 6.817 2.664 -4.551 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.938 3.886 -3.633 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.373 2.831 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.209 2.002 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.991 3.038 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.984 0.914 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.533 2.532 -4.586 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.479 1.596 -5.768 1.00 0.00 H new ATOM 108 N GLN A 13 7.196 3.294 -2.043 1.00 0.00 N ATOM 109 CA GLN A 13 7.809 3.510 -0.730 1.00 0.00 C ATOM 110 C GLN A 13 6.770 3.976 0.306 1.00 0.00 C ATOM 111 O GLN A 13 5.645 4.331 -0.053 1.00 0.00 O ATOM 112 CB GLN A 13 8.954 4.523 -0.900 1.00 0.00 C ATOM 113 CG GLN A 13 10.231 3.837 -1.403 1.00 0.00 C ATOM 114 CD GLN A 13 11.363 4.841 -1.578 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.585 5.365 -2.663 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.111 5.155 -0.544 1.00 0.00 N ATOM 0 H GLN A 13 7.109 4.154 -2.585 1.00 0.00 H new ATOM 0 HA GLN A 13 8.211 2.573 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.654 5.300 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.153 5.014 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.533 3.063 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.031 3.341 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.934 4.724 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.869 5.830 -0.649 1.00 0.00 H new ATOM 123 N VAL A 14 7.127 3.983 1.597 1.00 0.00 N ATOM 124 CA VAL A 14 6.158 4.209 2.685 1.00 0.00 C ATOM 125 C VAL A 14 6.820 4.666 3.989 1.00 0.00 C ATOM 126 O VAL A 14 7.850 4.131 4.398 1.00 0.00 O ATOM 127 CB VAL A 14 5.284 2.947 2.913 1.00 0.00 C ATOM 128 CG1 VAL A 14 6.050 1.733 3.450 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.057 3.246 3.777 1.00 0.00 C ATOM 0 H VAL A 14 8.084 3.834 1.918 1.00 0.00 H new ATOM 0 HA VAL A 14 5.513 5.028 2.366 1.00 0.00 H new ATOM 0 HB VAL A 14 4.945 2.666 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.362 0.897 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.831 1.454 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.502 1.983 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.475 2.334 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.379 3.616 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.442 4.001 3.287 1.00 0.00 H new ATOM 139 N GLY A 15 6.197 5.633 4.672 1.00 0.00 N ATOM 140 CA GLY A 15 6.593 6.058 6.016 1.00 0.00 C ATOM 141 C GLY A 15 6.231 5.009 7.071 1.00 0.00 C ATOM 142 O GLY A 15 5.194 4.356 6.985 1.00 0.00 O ATOM 0 H GLY A 15 5.397 6.146 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.667 6.241 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.104 7.002 6.258 1.00 0.00 H new ATOM 146 N GLY A 16 7.089 4.843 8.074 1.00 0.00 N ATOM 147 CA GLY A 16 6.833 4.041 9.275 1.00 0.00 C ATOM 148 C GLY A 16 6.912 2.517 9.149 1.00 0.00 C ATOM 149 O GLY A 16 7.070 1.872 10.186 1.00 0.00 O ATOM 0 H GLY A 16 8.013 5.276 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.544 4.350 10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.838 4.295 9.641 1.00 0.00 H new ATOM 153 N MET A 17 6.812 1.903 7.956 1.00 0.00 N ATOM 154 CA MET A 17 6.684 0.429 7.861 1.00 0.00 C ATOM 155 C MET A 17 7.991 -0.373 8.038 1.00 0.00 C ATOM 156 O MET A 17 7.987 -1.583 7.814 1.00 0.00 O ATOM 157 CB MET A 17 5.945 0.013 6.579 1.00 0.00 C ATOM 158 CG MET A 17 4.624 0.767 6.377 1.00 0.00 C ATOM 159 SD MET A 17 3.417 0.587 7.710 1.00 0.00 S ATOM 160 CE MET A 17 2.390 2.015 7.306 1.00 0.00 C ATOM 0 H MET A 17 6.817 2.388 7.059 1.00 0.00 H new ATOM 0 HA MET A 17 6.084 0.158 8.730 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.592 0.189 5.720 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.744 -1.058 6.613 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.846 1.827 6.251 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.168 0.424 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.561 2.078 8.010 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.989 2.923 7.369 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.999 1.908 6.294 1.00 0.00 H new ATOM 168 N ARG A 18 9.102 0.251 8.448 1.00 0.00 N ATOM 169 CA ARG A 18 10.352 -0.454 8.787 1.00 0.00 C ATOM 170 C ARG A 18 10.360 -0.934 10.248 1.00 0.00 C ATOM 171 O ARG A 18 9.629 -0.397 11.088 1.00 0.00 O ATOM 172 CB ARG A 18 11.568 0.442 8.505 1.00 0.00 C ATOM 173 CG ARG A 18 11.674 0.846 7.027 1.00 0.00 C ATOM 174 CD ARG A 18 12.920 1.722 6.827 1.00 0.00 C ATOM 175 NE ARG A 18 13.131 2.126 5.425 1.00 0.00 N ATOM 176 CZ ARG A 18 14.100 2.928 4.992 1.00 0.00 C ATOM 177 NH1 ARG A 18 15.033 3.380 5.801 1.00 0.00 N ATOM 178 NH2 ARG A 18 14.138 3.296 3.728 1.00 0.00 N ATOM 0 H ARG A 18 9.163 1.263 8.556 1.00 0.00 H new ATOM 0 HA ARG A 18 10.412 -1.339 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.503 1.340 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.477 -0.082 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.736 -0.043 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.780 1.390 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.831 2.615 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.798 1.178 7.177 1.00 0.00 H new ATOM 0 HE ARG A 18 12.480 1.760 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.025 3.117 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.765 3.994 5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.424 2.966 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.882 3.911 3.398 1.00 0.00 H new ATOM 189 N CYS A 19 11.217 -1.916 10.564 1.00 0.00 N ATOM 190 CA CYS A 19 11.549 -2.412 11.912 1.00 0.00 C ATOM 191 C CYS A 19 10.405 -3.239 12.543 1.00 0.00 C ATOM 192 O CYS A 19 10.493 -4.469 12.628 1.00 0.00 O ATOM 193 CB CYS A 19 12.038 -1.218 12.769 1.00 0.00 C ATOM 194 SG CYS A 19 12.437 -1.719 14.462 1.00 0.00 S ATOM 0 H CYS A 19 11.731 -2.418 9.840 1.00 0.00 H new ATOM 0 HA CYS A 19 12.365 -3.132 11.853 1.00 0.00 H new ATOM 0 HB2 CYS A 19 12.919 -0.775 12.305 1.00 0.00 H new ATOM 0 HB3 CYS A 19 11.267 -0.447 12.791 1.00 0.00 H new ATOM 0 HG CYS A 19 12.843 -0.684 15.136 1.00 0.00 H new ATOM 199 N ALA A 20 9.346 -2.556 12.973 1.00 0.00 N ATOM 200 CA ALA A 20 8.205 -3.072 13.732 1.00 0.00 C ATOM 201 C ALA A 20 7.226 -3.919 12.890 1.00 0.00 C ATOM 202 O ALA A 20 7.453 -4.174 11.703 1.00 0.00 O ATOM 203 CB ALA A 20 7.535 -1.833 14.350 1.00 0.00 C ATOM 0 H ALA A 20 9.255 -1.557 12.788 1.00 0.00 H new ATOM 0 HA ALA A 20 8.540 -3.775 14.495 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.669 -2.142 14.935 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.246 -1.320 14.997 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.215 -1.159 13.556 1.00 0.00 H new ATOM 209 N ALA A 21 6.104 -4.325 13.493 1.00 0.00 N ATOM 210 CA ALA A 21 4.993 -5.041 12.848 1.00 0.00 C ATOM 211 C ALA A 21 3.996 -4.133 12.082 1.00 0.00 C ATOM 212 O ALA A 21 2.932 -4.600 11.667 1.00 0.00 O ATOM 213 CB ALA A 21 4.297 -5.874 13.936 1.00 0.00 C ATOM 0 H ALA A 21 5.936 -4.158 14.485 1.00 0.00 H new ATOM 0 HA ALA A 21 5.402 -5.678 12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.464 -6.423 13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.009 -6.579 14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.924 -5.212 14.718 1.00 0.00 H new ATOM 219 N CYS A 22 4.309 -2.843 11.897 1.00 0.00 N ATOM 220 CA CYS A 22 3.439 -1.815 11.304 1.00 0.00 C ATOM 221 C CYS A 22 2.859 -2.181 9.930 1.00 0.00 C ATOM 222 O CYS A 22 1.661 -2.001 9.702 1.00 0.00 O ATOM 223 CB CYS A 22 4.236 -0.496 11.232 1.00 0.00 C ATOM 224 SG CYS A 22 4.615 0.077 12.913 1.00 0.00 S ATOM 0 H CYS A 22 5.218 -2.469 12.169 1.00 0.00 H new ATOM 0 HA CYS A 22 2.565 -1.717 11.948 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.159 -0.647 10.671 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.660 0.261 10.700 1.00 0.00 H new ATOM 0 HG CYS A 22 5.307 1.176 12.851 1.00 0.00 H new ATOM 229 N ALA A 23 3.678 -2.763 9.052 1.00 0.00 N ATOM 230 CA ALA A 23 3.285 -3.299 7.753 1.00 0.00 C ATOM 231 C ALA A 23 2.064 -4.237 7.844 1.00 0.00 C ATOM 232 O ALA A 23 1.233 -4.257 6.938 1.00 0.00 O ATOM 233 CB ALA A 23 4.510 -4.022 7.195 1.00 0.00 C ATOM 0 H ALA A 23 4.675 -2.877 9.237 1.00 0.00 H new ATOM 0 HA ALA A 23 2.969 -2.492 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.270 -4.444 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.334 -3.316 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.801 -4.823 7.875 1.00 0.00 H new ATOM 239 N SER A 24 1.892 -4.962 8.954 1.00 0.00 N ATOM 240 CA SER A 24 0.790 -5.921 9.118 1.00 0.00 C ATOM 241 C SER A 24 -0.557 -5.223 9.364 1.00 0.00 C ATOM 242 O SER A 24 -1.592 -5.725 8.945 1.00 0.00 O ATOM 243 CB SER A 24 1.102 -6.926 10.238 1.00 0.00 C ATOM 244 OG SER A 24 2.370 -7.546 10.048 1.00 0.00 O ATOM 0 H SER A 24 2.510 -4.902 9.763 1.00 0.00 H new ATOM 0 HA SER A 24 0.698 -6.467 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.087 -6.415 11.201 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.324 -7.689 10.270 1.00 0.00 H new ATOM 0 HG SER A 24 2.538 -8.178 10.778 1.00 0.00 H new ATOM 249 N SER A 25 -0.565 -4.016 9.939 1.00 0.00 N ATOM 250 CA SER A 25 -1.780 -3.194 10.107 1.00 0.00 C ATOM 251 C SER A 25 -2.266 -2.584 8.789 1.00 0.00 C ATOM 252 O SER A 25 -3.392 -2.095 8.692 1.00 0.00 O ATOM 253 CB SER A 25 -1.549 -2.074 11.137 1.00 0.00 C ATOM 254 OG SER A 25 -0.984 -2.581 12.335 1.00 0.00 O ATOM 0 H SER A 25 0.277 -3.573 10.306 1.00 0.00 H new ATOM 0 HA SER A 25 -2.556 -3.868 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.888 -1.318 10.713 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.496 -1.581 11.359 1.00 0.00 H new ATOM 0 HG SER A 25 -0.847 -1.846 12.969 1.00 0.00 H new ATOM 259 N ILE A 26 -1.426 -2.635 7.754 1.00 0.00 N ATOM 260 CA ILE A 26 -1.804 -2.360 6.369 1.00 0.00 C ATOM 261 C ILE A 26 -2.197 -3.672 5.682 1.00 0.00 C ATOM 262 O ILE A 26 -3.301 -3.768 5.152 1.00 0.00 O ATOM 263 CB ILE A 26 -0.632 -1.651 5.658 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.093 -0.408 6.402 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.972 -1.300 4.205 1.00 0.00 C ATOM 266 CD1 ILE A 26 -1.146 0.664 6.700 1.00 0.00 C ATOM 0 H ILE A 26 -0.440 -2.875 7.859 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.668 -1.697 6.325 1.00 0.00 H new ATOM 0 HB ILE A 26 0.175 -2.383 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.355 -0.730 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.703 0.039 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.120 -0.803 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.203 -2.212 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.836 -0.635 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.678 1.498 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.578 1.019 5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.932 0.239 7.325 1.00 0.00 H new ATOM 277 N GLU A 27 -1.330 -4.688 5.724 1.00 0.00 N ATOM 278 CA GLU A 27 -1.489 -5.948 4.987 1.00 0.00 C ATOM 279 C GLU A 27 -2.772 -6.701 5.381 1.00 0.00 C ATOM 280 O GLU A 27 -3.508 -7.150 4.499 1.00 0.00 O ATOM 281 CB GLU A 27 -0.236 -6.822 5.181 1.00 0.00 C ATOM 282 CG GLU A 27 -0.153 -7.953 4.144 1.00 0.00 C ATOM 283 CD GLU A 27 1.059 -8.860 4.348 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.315 -9.295 5.495 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.721 -9.207 3.342 1.00 0.00 O ATOM 0 H GLU A 27 -0.478 -4.658 6.284 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.595 -5.710 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.655 -6.198 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.245 -7.250 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.062 -8.553 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.112 -7.520 3.144 1.00 0.00 H new ATOM 290 N ARG A 28 -3.095 -6.759 6.683 1.00 0.00 N ATOM 291 CA ARG A 28 -4.308 -7.413 7.204 1.00 0.00 C ATOM 292 C ARG A 28 -5.603 -6.858 6.588 1.00 0.00 C ATOM 293 O ARG A 28 -6.571 -7.605 6.424 1.00 0.00 O ATOM 294 CB ARG A 28 -4.316 -7.269 8.735 1.00 0.00 C ATOM 295 CG ARG A 28 -5.495 -7.968 9.428 1.00 0.00 C ATOM 296 CD ARG A 28 -5.365 -7.807 10.943 1.00 0.00 C ATOM 297 NE ARG A 28 -6.503 -8.400 11.663 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.809 -8.191 12.938 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.045 -7.473 13.733 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.899 -8.714 13.446 1.00 0.00 N ATOM 0 H ARG A 28 -2.514 -6.348 7.414 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.280 -8.465 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.385 -7.674 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.337 -6.209 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.437 -7.540 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.511 -9.025 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.440 -8.276 11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.293 -6.748 11.190 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.111 -9.027 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.186 -7.056 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.312 -7.334 14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.512 -9.282 12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.133 -8.553 14.426 1.00 0.00 H new ATOM 311 N ALA A 29 -5.618 -5.569 6.230 1.00 0.00 N ATOM 312 CA ALA A 29 -6.715 -4.915 5.516 1.00 0.00 C ATOM 313 C ALA A 29 -6.544 -4.993 3.989 1.00 0.00 C ATOM 314 O ALA A 29 -7.532 -5.121 3.271 1.00 0.00 O ATOM 315 CB ALA A 29 -6.786 -3.456 5.982 1.00 0.00 C ATOM 0 H ALA A 29 -4.845 -4.936 6.436 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.646 -5.434 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.598 -2.947 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.967 -3.426 7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.843 -2.957 5.759 1.00 0.00 H new ATOM 321 N LEU A 30 -5.310 -4.940 3.476 1.00 0.00 N ATOM 322 CA LEU A 30 -4.996 -4.905 2.042 1.00 0.00 C ATOM 323 C LEU A 30 -5.303 -6.222 1.306 1.00 0.00 C ATOM 324 O LEU A 30 -5.525 -6.199 0.098 1.00 0.00 O ATOM 325 CB LEU A 30 -3.527 -4.465 1.894 1.00 0.00 C ATOM 326 CG LEU A 30 -3.061 -4.130 0.464 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.901 -3.026 -0.191 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.594 -3.677 0.515 1.00 0.00 C ATOM 0 H LEU A 30 -4.477 -4.920 4.064 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.652 -4.184 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.366 -3.588 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.890 -5.258 2.286 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.180 -5.030 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.527 -2.832 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.942 -3.345 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.832 -2.115 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.252 -3.437 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.508 -2.794 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.980 -4.479 0.925 1.00 0.00 H new ATOM 339 N GLU A 31 -5.409 -7.355 2.009 1.00 0.00 N ATOM 340 CA GLU A 31 -5.999 -8.573 1.435 1.00 0.00 C ATOM 341 C GLU A 31 -7.542 -8.550 1.410 1.00 0.00 C ATOM 342 O GLU A 31 -8.152 -9.453 0.835 1.00 0.00 O ATOM 343 CB GLU A 31 -5.424 -9.848 2.081 1.00 0.00 C ATOM 344 CG GLU A 31 -5.629 -10.013 3.591 1.00 0.00 C ATOM 345 CD GLU A 31 -4.929 -11.281 4.088 1.00 0.00 C ATOM 346 OE1 GLU A 31 -3.680 -11.307 4.179 1.00 0.00 O ATOM 347 OE2 GLU A 31 -5.622 -12.272 4.423 1.00 0.00 O ATOM 0 H GLU A 31 -5.095 -7.456 2.974 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.701 -8.594 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.867 -10.710 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.353 -9.878 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.235 -9.143 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.694 -10.065 3.816 1.00 0.00 H new ATOM 352 N ARG A 32 -8.191 -7.543 2.020 1.00 0.00 N ATOM 353 CA ARG A 32 -9.654 -7.436 2.172 1.00 0.00 C ATOM 354 C ARG A 32 -10.312 -6.241 1.441 1.00 0.00 C ATOM 355 O ARG A 32 -11.528 -6.288 1.216 1.00 0.00 O ATOM 356 CB ARG A 32 -10.033 -7.373 3.671 1.00 0.00 C ATOM 357 CG ARG A 32 -9.478 -8.478 4.597 1.00 0.00 C ATOM 358 CD ARG A 32 -10.069 -9.881 4.386 1.00 0.00 C ATOM 359 NE ARG A 32 -9.702 -10.431 3.076 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.174 -11.517 2.490 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.934 -12.392 3.107 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.859 -11.720 1.237 1.00 0.00 N ATOM 0 H ARG A 32 -7.695 -6.754 2.435 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.045 -8.335 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.702 -6.411 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.120 -7.389 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.398 -8.534 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.653 -8.182 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.715 -10.547 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.155 -9.835 4.471 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.996 -9.911 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.186 -12.249 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.273 -13.215 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.267 -11.051 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.205 -12.548 0.752 1.00 0.00 H new ATOM 373 N LEU A 33 -9.571 -5.179 1.079 1.00 0.00 N ATOM 374 CA LEU A 33 -10.101 -3.999 0.358 1.00 0.00 C ATOM 375 C LEU A 33 -10.760 -4.362 -0.991 1.00 0.00 C ATOM 376 O LEU A 33 -10.489 -5.406 -1.592 1.00 0.00 O ATOM 377 CB LEU A 33 -8.995 -2.938 0.128 1.00 0.00 C ATOM 378 CG LEU A 33 -8.270 -2.352 1.357 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.238 -1.307 0.902 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.208 -1.701 2.380 1.00 0.00 C ATOM 0 H LEU A 33 -8.573 -5.111 1.280 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.876 -3.582 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.240 -3.381 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.441 -2.108 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.791 -3.196 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.728 -0.896 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.508 -1.779 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.745 -0.505 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.624 -1.313 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.752 -0.883 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.917 -2.443 2.748 1.00 0.00 H new ATOM 391 N LYS A 34 -11.600 -3.461 -1.506 1.00 0.00 N ATOM 392 CA LYS A 34 -12.114 -3.516 -2.882 1.00 0.00 C ATOM 393 C LYS A 34 -11.012 -3.211 -3.922 1.00 0.00 C ATOM 394 O LYS A 34 -9.985 -2.599 -3.618 1.00 0.00 O ATOM 395 CB LYS A 34 -13.312 -2.551 -3.021 1.00 0.00 C ATOM 396 CG LYS A 34 -14.675 -3.191 -2.696 1.00 0.00 C ATOM 397 CD LYS A 34 -14.946 -3.527 -1.222 1.00 0.00 C ATOM 398 CE LYS A 34 -15.050 -2.256 -0.369 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.473 -2.558 1.017 1.00 0.00 N ATOM 0 H LYS A 34 -11.948 -2.662 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.453 -4.531 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.156 -1.698 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.338 -2.165 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.458 -2.516 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.767 -4.109 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.871 -4.098 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.146 -4.160 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.085 -1.749 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.763 -1.569 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.532 -1.674 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.405 -3.019 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.780 -3.193 1.461 1.00 0.00 H new ATOM 409 N GLY A 35 -11.192 -3.650 -5.174 1.00 0.00 N ATOM 410 CA GLY A 35 -10.350 -3.307 -6.338 1.00 0.00 C ATOM 411 C GLY A 35 -8.977 -3.984 -6.394 1.00 0.00 C ATOM 412 O GLY A 35 -8.543 -4.382 -7.476 1.00 0.00 O ATOM 0 H GLY A 35 -11.957 -4.279 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.897 -3.563 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.202 -2.227 -6.349 1.00 0.00 H new ATOM 416 N VAL A 36 -8.308 -4.136 -5.254 1.00 0.00 N ATOM 417 CA VAL A 36 -7.070 -4.922 -5.090 1.00 0.00 C ATOM 418 C VAL A 36 -7.318 -6.424 -5.295 1.00 0.00 C ATOM 419 O VAL A 36 -8.402 -6.924 -4.987 1.00 0.00 O ATOM 420 CB VAL A 36 -6.404 -4.683 -3.712 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.975 -3.214 -3.552 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.334 -5.049 -2.546 1.00 0.00 C ATOM 0 H VAL A 36 -8.617 -3.703 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.386 -4.573 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.529 -5.333 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.511 -3.075 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.260 -2.956 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.850 -2.569 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.823 -4.864 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.237 -4.440 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.604 -6.103 -2.613 1.00 0.00 H new ATOM 432 N ALA A 37 -6.309 -7.133 -5.813 1.00 0.00 N ATOM 433 CA ALA A 37 -6.351 -8.575 -6.097 1.00 0.00 C ATOM 434 C ALA A 37 -5.096 -9.353 -5.641 1.00 0.00 C ATOM 435 O ALA A 37 -5.136 -10.585 -5.558 1.00 0.00 O ATOM 436 CB ALA A 37 -6.576 -8.734 -7.607 1.00 0.00 C ATOM 0 H ALA A 37 -5.413 -6.708 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.164 -9.013 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.613 -9.794 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.517 -8.261 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.757 -8.261 -8.149 1.00 0.00 H new ATOM 442 N GLU A 38 -3.988 -8.671 -5.340 1.00 0.00 N ATOM 443 CA GLU A 38 -2.769 -9.251 -4.768 1.00 0.00 C ATOM 444 C GLU A 38 -1.943 -8.130 -4.129 1.00 0.00 C ATOM 445 O GLU A 38 -1.986 -7.002 -4.613 1.00 0.00 O ATOM 446 CB GLU A 38 -1.933 -9.989 -5.836 1.00 0.00 C ATOM 447 CG GLU A 38 -1.140 -11.161 -5.240 1.00 0.00 C ATOM 448 CD GLU A 38 -0.049 -11.677 -6.181 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.286 -11.814 -7.405 1.00 0.00 O ATOM 450 OE2 GLU A 38 1.077 -11.955 -5.694 1.00 0.00 O ATOM 0 H GLU A 38 -3.912 -7.665 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.051 -9.987 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.593 -10.360 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.244 -9.287 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.685 -10.846 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.825 -11.975 -5.004 1.00 0.00 H new ATOM 455 N ALA A 39 -1.167 -8.425 -3.085 1.00 0.00 N ATOM 456 CA ALA A 39 -0.266 -7.473 -2.432 1.00 0.00 C ATOM 457 C ALA A 39 0.747 -8.180 -1.524 1.00 0.00 C ATOM 458 O ALA A 39 0.506 -9.306 -1.081 1.00 0.00 O ATOM 459 CB ALA A 39 -1.089 -6.457 -1.628 1.00 0.00 C ATOM 0 H ALA A 39 -1.147 -9.352 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 39 0.300 -6.954 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.418 -5.749 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.760 -5.920 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.674 -6.980 -0.872 1.00 0.00 H new ATOM 465 N SER A 40 1.859 -7.525 -1.196 1.00 0.00 N ATOM 466 CA SER A 40 2.872 -8.010 -0.241 1.00 0.00 C ATOM 467 C SER A 40 3.816 -6.890 0.223 1.00 0.00 C ATOM 468 O SER A 40 4.215 -6.026 -0.562 1.00 0.00 O ATOM 469 CB SER A 40 3.682 -9.165 -0.846 1.00 0.00 C ATOM 470 OG SER A 40 2.908 -10.353 -0.906 1.00 0.00 O ATOM 0 H SER A 40 2.093 -6.616 -1.595 1.00 0.00 H new ATOM 0 HA SER A 40 2.333 -8.372 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.016 -8.894 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.576 -9.339 -0.248 1.00 0.00 H new ATOM 0 HG SER A 40 1.975 -10.147 -0.687 1.00 0.00 H new ATOM 475 N VAL A 41 4.187 -6.910 1.505 1.00 0.00 N ATOM 476 CA VAL A 41 5.014 -5.884 2.168 1.00 0.00 C ATOM 477 C VAL A 41 6.497 -6.287 2.176 1.00 0.00 C ATOM 478 O VAL A 41 6.816 -7.478 2.140 1.00 0.00 O ATOM 479 CB VAL A 41 4.513 -5.589 3.608 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.067 -5.055 3.579 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.562 -6.808 4.546 1.00 0.00 C ATOM 0 H VAL A 41 3.914 -7.663 2.136 1.00 0.00 H new ATOM 0 HA VAL A 41 4.916 -4.965 1.590 1.00 0.00 H new ATOM 0 HB VAL A 41 5.200 -4.841 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.733 -4.854 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.031 -4.134 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.414 -5.799 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.197 -6.523 5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.935 -7.603 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.589 -7.163 4.628 1.00 0.00 H new ATOM 491 N THR A 42 7.394 -5.292 2.245 1.00 0.00 N ATOM 492 CA THR A 42 8.839 -5.488 2.456 1.00 0.00 C ATOM 493 C THR A 42 9.300 -4.546 3.563 1.00 0.00 C ATOM 494 O THR A 42 9.609 -3.381 3.316 1.00 0.00 O ATOM 495 CB THR A 42 9.622 -5.294 1.153 1.00 0.00 C ATOM 496 OG1 THR A 42 9.205 -6.289 0.246 1.00 0.00 O ATOM 497 CG2 THR A 42 11.127 -5.507 1.335 1.00 0.00 C ATOM 0 H THR A 42 7.132 -4.310 2.154 1.00 0.00 H new ATOM 0 HA THR A 42 9.035 -6.514 2.769 1.00 0.00 H new ATOM 0 HB THR A 42 9.437 -4.275 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.691 -6.186 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.634 -5.357 0.382 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.510 -4.794 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.311 -6.522 1.688 1.00 0.00 H new ATOM 505 N VAL A 43 9.334 -5.062 4.790 1.00 0.00 N ATOM 506 CA VAL A 43 9.697 -4.321 6.013 1.00 0.00 C ATOM 507 C VAL A 43 11.194 -3.942 6.017 1.00 0.00 C ATOM 508 O VAL A 43 11.565 -2.905 6.569 1.00 0.00 O ATOM 509 CB VAL A 43 9.345 -5.161 7.270 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.868 -4.570 8.593 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.817 -5.287 7.399 1.00 0.00 C ATOM 0 H VAL A 43 9.103 -6.038 4.974 1.00 0.00 H new ATOM 0 HA VAL A 43 9.121 -3.396 6.032 1.00 0.00 H new ATOM 0 HB VAL A 43 9.833 -6.124 7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.579 -5.218 9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.955 -4.495 8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.441 -3.578 8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.574 -5.877 8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.377 -4.294 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.416 -5.779 6.513 1.00 0.00 H new ATOM 521 N ALA A 44 12.071 -4.742 5.385 1.00 0.00 N ATOM 522 CA ALA A 44 13.528 -4.531 5.385 1.00 0.00 C ATOM 523 C ALA A 44 13.960 -3.172 4.802 1.00 0.00 C ATOM 524 O ALA A 44 14.911 -2.563 5.302 1.00 0.00 O ATOM 525 CB ALA A 44 14.183 -5.680 4.607 1.00 0.00 C ATOM 0 H ALA A 44 11.783 -5.564 4.853 1.00 0.00 H new ATOM 0 HA ALA A 44 13.859 -4.519 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.264 -5.542 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.943 -6.628 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.807 -5.687 3.584 1.00 0.00 H new ATOM 531 N THR A 45 13.246 -2.697 3.774 1.00 0.00 N ATOM 532 CA THR A 45 13.461 -1.414 3.080 1.00 0.00 C ATOM 533 C THR A 45 12.303 -0.437 3.266 1.00 0.00 C ATOM 534 O THR A 45 12.463 0.750 2.986 1.00 0.00 O ATOM 535 CB THR A 45 13.669 -1.663 1.582 1.00 0.00 C ATOM 536 OG1 THR A 45 12.608 -2.451 1.093 1.00 0.00 O ATOM 537 CG2 THR A 45 14.976 -2.406 1.308 1.00 0.00 C ATOM 0 H THR A 45 12.463 -3.220 3.382 1.00 0.00 H new ATOM 0 HA THR A 45 14.348 -0.961 3.524 1.00 0.00 H new ATOM 0 HB THR A 45 13.706 -0.693 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.969 -3.206 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.087 -2.563 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.815 -1.815 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.960 -3.370 1.816 1.00 0.00 H new ATOM 545 N GLY A 46 11.138 -0.890 3.737 1.00 0.00 N ATOM 546 CA GLY A 46 9.939 -0.060 3.863 1.00 0.00 C ATOM 547 C GLY A 46 9.345 0.240 2.489 1.00 0.00 C ATOM 548 O GLY A 46 9.250 1.404 2.095 1.00 0.00 O ATOM 0 H GLY A 46 11.000 -1.853 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.200 -0.571 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.188 0.873 4.369 1.00 0.00 H new ATOM 552 N ARG A 47 8.956 -0.815 1.769 1.00 0.00 N ATOM 553 CA ARG A 47 8.199 -0.729 0.515 1.00 0.00 C ATOM 554 C ARG A 47 6.907 -1.550 0.582 1.00 0.00 C ATOM 555 O ARG A 47 6.749 -2.438 1.425 1.00 0.00 O ATOM 556 CB ARG A 47 9.009 -1.265 -0.675 1.00 0.00 C ATOM 557 CG ARG A 47 10.320 -0.546 -1.021 1.00 0.00 C ATOM 558 CD ARG A 47 10.852 -1.056 -2.374 1.00 0.00 C ATOM 559 NE ARG A 47 10.918 -2.531 -2.438 1.00 0.00 N ATOM 560 CZ ARG A 47 11.962 -3.315 -2.204 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.170 -2.853 -1.952 1.00 0.00 N ATOM 562 NH2 ARG A 47 11.809 -4.617 -2.199 1.00 0.00 N ATOM 0 H ARG A 47 9.162 -1.775 2.047 1.00 0.00 H new ATOM 0 HA ARG A 47 7.975 0.329 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.241 -2.312 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.369 -1.240 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.154 0.530 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.059 -0.721 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.209 -0.689 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.846 -0.643 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 47 10.052 -3.006 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.337 -1.847 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.938 -3.501 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.890 -5.023 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.609 -5.224 -2.020 1.00 0.00 H new ATOM 573 N LEU A 48 6.018 -1.294 -0.376 1.00 0.00 N ATOM 574 CA LEU A 48 4.836 -2.098 -0.674 1.00 0.00 C ATOM 575 C LEU A 48 4.801 -2.437 -2.170 1.00 0.00 C ATOM 576 O LEU A 48 5.277 -1.655 -2.993 1.00 0.00 O ATOM 577 CB LEU A 48 3.581 -1.319 -0.215 1.00 0.00 C ATOM 578 CG LEU A 48 2.751 -2.108 0.808 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.713 -1.182 1.441 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.029 -3.307 0.176 1.00 0.00 C ATOM 0 H LEU A 48 6.106 -0.486 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 48 4.864 -3.045 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.885 -0.368 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.962 -1.088 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 48 3.441 -2.492 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.123 -1.740 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.219 -0.357 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.056 -0.788 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.456 -3.831 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.355 -2.955 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.763 -3.986 -0.257 1.00 0.00 H new ATOM 591 N THR A 49 4.209 -3.586 -2.505 1.00 0.00 N ATOM 592 CA THR A 49 3.932 -4.059 -3.871 1.00 0.00 C ATOM 593 C THR A 49 2.489 -4.528 -3.887 1.00 0.00 C ATOM 594 O THR A 49 2.048 -5.196 -2.952 1.00 0.00 O ATOM 595 CB THR A 49 4.890 -5.188 -4.272 1.00 0.00 C ATOM 596 OG1 THR A 49 6.212 -4.713 -4.172 1.00 0.00 O ATOM 597 CG2 THR A 49 4.687 -5.635 -5.722 1.00 0.00 C ATOM 0 H THR A 49 3.892 -4.248 -1.797 1.00 0.00 H new ATOM 0 HA THR A 49 4.085 -3.259 -4.596 1.00 0.00 H new ATOM 0 HB THR A 49 4.694 -6.031 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.836 -5.426 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.388 -6.436 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.667 -5.996 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.861 -4.792 -6.390 1.00 0.00 H new ATOM 605 N VAL A 50 1.758 -4.141 -4.926 1.00 0.00 N ATOM 606 CA VAL A 50 0.295 -4.281 -5.002 1.00 0.00 C ATOM 607 C VAL A 50 -0.166 -4.458 -6.449 1.00 0.00 C ATOM 608 O VAL A 50 0.380 -3.839 -7.363 1.00 0.00 O ATOM 609 CB VAL A 50 -0.411 -3.090 -4.302 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.093 -1.732 -4.958 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.937 -3.267 -4.220 1.00 0.00 C ATOM 0 H VAL A 50 2.165 -3.713 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 50 0.008 -5.185 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.005 -3.088 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.616 -0.939 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.981 -1.551 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.419 -1.745 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.377 -2.404 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.348 -3.353 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.169 -4.170 -3.655 1.00 0.00 H new ATOM 621 N THR A 51 -1.180 -5.307 -6.640 1.00 0.00 N ATOM 622 CA THR A 51 -1.890 -5.555 -7.895 1.00 0.00 C ATOM 623 C THR A 51 -3.343 -5.145 -7.704 1.00 0.00 C ATOM 624 O THR A 51 -4.054 -5.747 -6.900 1.00 0.00 O ATOM 625 CB THR A 51 -1.785 -7.035 -8.283 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.423 -7.368 -8.450 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.479 -7.313 -9.621 1.00 0.00 C ATOM 0 H THR A 51 -1.548 -5.873 -5.875 1.00 0.00 H new ATOM 0 HA THR A 51 -1.446 -4.973 -8.703 1.00 0.00 H new ATOM 0 HB THR A 51 -2.258 -7.620 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.345 -8.313 -8.697 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.386 -8.371 -9.866 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.534 -7.050 -9.545 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.011 -6.716 -10.404 1.00 0.00 H new ATOM 635 N TYR A 52 -3.795 -4.141 -8.459 1.00 0.00 N ATOM 636 CA TYR A 52 -5.161 -3.599 -8.379 1.00 0.00 C ATOM 637 C TYR A 52 -5.740 -3.194 -9.742 1.00 0.00 C ATOM 638 O TYR A 52 -4.995 -2.951 -10.693 1.00 0.00 O ATOM 639 CB TYR A 52 -5.217 -2.438 -7.367 1.00 0.00 C ATOM 640 CG TYR A 52 -4.566 -1.115 -7.756 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.244 -0.205 -8.593 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.320 -0.747 -7.208 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.693 1.061 -8.866 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.769 0.527 -7.462 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.467 1.446 -8.278 1.00 0.00 C ATOM 646 OH TYR A 52 -2.986 2.703 -8.496 1.00 0.00 O ATOM 0 H TYR A 52 -3.216 -3.672 -9.155 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.801 -4.406 -8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.265 -2.241 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.752 -2.779 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.193 -0.482 -9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.782 -1.448 -6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.209 1.741 -9.528 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.816 0.799 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.135 2.814 -8.023 1.00 0.00 H new ATOM 655 N ASP A 53 -7.072 -3.121 -9.831 1.00 0.00 N ATOM 656 CA ASP A 53 -7.822 -2.752 -11.023 1.00 0.00 C ATOM 657 C ASP A 53 -8.035 -1.221 -11.082 1.00 0.00 C ATOM 658 O ASP A 53 -8.689 -0.663 -10.187 1.00 0.00 O ATOM 659 CB ASP A 53 -9.147 -3.519 -10.998 1.00 0.00 C ATOM 660 CG ASP A 53 -9.968 -3.218 -12.244 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.760 -2.254 -12.211 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.796 -3.928 -13.258 1.00 0.00 O ATOM 0 H ASP A 53 -7.678 -3.328 -9.037 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.270 -3.018 -11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.952 -4.590 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.714 -3.246 -10.108 1.00 0.00 H new ATOM 666 N PRO A 54 -7.523 -0.535 -12.127 1.00 0.00 N ATOM 667 CA PRO A 54 -7.518 0.924 -12.231 1.00 0.00 C ATOM 668 C PRO A 54 -8.899 1.520 -12.559 1.00 0.00 C ATOM 669 O PRO A 54 -8.987 2.721 -12.827 1.00 0.00 O ATOM 670 CB PRO A 54 -6.478 1.234 -13.319 1.00 0.00 C ATOM 671 CG PRO A 54 -6.582 0.034 -14.252 1.00 0.00 C ATOM 672 CD PRO A 54 -6.841 -1.113 -13.279 1.00 0.00 C ATOM 0 HA PRO A 54 -7.266 1.383 -11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.702 2.167 -13.836 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.476 1.334 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.393 0.148 -14.972 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.667 -0.117 -14.824 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.453 -1.885 -13.745 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.906 -1.585 -12.979 1.00 0.00 H new ATOM 677 N LYS A 55 -9.966 0.708 -12.545 1.00 0.00 N ATOM 678 CA LYS A 55 -11.351 1.136 -12.825 1.00 0.00 C ATOM 679 C LYS A 55 -12.215 0.992 -11.569 1.00 0.00 C ATOM 680 O LYS A 55 -12.985 1.893 -11.235 1.00 0.00 O ATOM 681 CB LYS A 55 -11.969 0.312 -13.975 1.00 0.00 C ATOM 682 CG LYS A 55 -11.198 0.396 -15.299 1.00 0.00 C ATOM 683 CD LYS A 55 -11.893 -0.449 -16.376 1.00 0.00 C ATOM 684 CE LYS A 55 -11.102 -0.508 -17.688 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.996 0.817 -18.334 1.00 0.00 N ATOM 0 H LYS A 55 -9.892 -0.287 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.321 2.183 -13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.027 -0.732 -13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.991 0.652 -14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.136 1.434 -15.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.176 0.045 -15.155 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.038 -1.461 -15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.883 -0.037 -16.572 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.102 -0.896 -17.491 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.586 -1.206 -18.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.468 0.727 -19.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.949 1.184 -18.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.496 1.473 -17.701 1.00 0.00 H new ATOM 695 N GLN A 56 -12.029 -0.104 -10.825 1.00 0.00 N ATOM 696 CA GLN A 56 -12.592 -0.271 -9.487 1.00 0.00 C ATOM 697 C GLN A 56 -11.998 0.741 -8.496 1.00 0.00 C ATOM 698 O GLN A 56 -12.751 1.282 -7.685 1.00 0.00 O ATOM 699 CB GLN A 56 -12.351 -1.703 -8.981 1.00 0.00 C ATOM 700 CG GLN A 56 -13.085 -2.788 -9.789 1.00 0.00 C ATOM 701 CD GLN A 56 -12.986 -4.145 -9.094 1.00 0.00 C ATOM 702 OE1 GLN A 56 -11.994 -4.862 -9.180 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.987 -4.523 -8.335 1.00 0.00 N ATOM 0 H GLN A 56 -11.479 -0.904 -11.140 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.664 -0.089 -9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.281 -1.910 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.665 -1.766 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.133 -2.512 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.657 -2.855 -10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.817 -3.935 -8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.935 -5.404 -7.824 1.00 0.00 H new ATOM 710 N VAL A 57 -10.687 1.038 -8.554 1.00 0.00 N ATOM 711 CA VAL A 57 -10.003 1.939 -7.587 1.00 0.00 C ATOM 712 C VAL A 57 -8.827 2.704 -8.224 1.00 0.00 C ATOM 713 O VAL A 57 -8.545 2.535 -9.407 1.00 0.00 O ATOM 714 CB VAL A 57 -9.531 1.194 -6.305 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.693 0.560 -5.518 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.464 0.124 -6.601 1.00 0.00 C ATOM 0 H VAL A 57 -10.065 0.664 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.756 2.669 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.081 1.968 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.302 0.055 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.392 1.338 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.209 -0.162 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.171 -0.364 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.873 -0.618 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.592 0.595 -7.054 1.00 0.00 H new ATOM 726 N SER A 58 -8.140 3.541 -7.443 1.00 0.00 N ATOM 727 CA SER A 58 -6.822 4.116 -7.756 1.00 0.00 C ATOM 728 C SER A 58 -5.957 4.162 -6.479 1.00 0.00 C ATOM 729 O SER A 58 -6.402 3.708 -5.419 1.00 0.00 O ATOM 730 CB SER A 58 -6.975 5.504 -8.416 1.00 0.00 C ATOM 731 OG SER A 58 -7.300 6.556 -7.517 1.00 0.00 O ATOM 0 H SER A 58 -8.497 3.851 -6.539 1.00 0.00 H new ATOM 0 HA SER A 58 -6.310 3.481 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.044 5.754 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.750 5.445 -9.180 1.00 0.00 H new ATOM 0 HG SER A 58 -6.555 7.191 -7.473 1.00 0.00 H new ATOM 736 N GLU A 59 -4.750 4.740 -6.549 1.00 0.00 N ATOM 737 CA GLU A 59 -3.845 4.964 -5.404 1.00 0.00 C ATOM 738 C GLU A 59 -4.543 5.479 -4.133 1.00 0.00 C ATOM 739 O GLU A 59 -4.191 5.045 -3.039 1.00 0.00 O ATOM 740 CB GLU A 59 -2.663 5.897 -5.760 1.00 0.00 C ATOM 741 CG GLU A 59 -2.784 6.812 -6.989 1.00 0.00 C ATOM 742 CD GLU A 59 -3.811 7.929 -6.828 1.00 0.00 C ATOM 743 OE1 GLU A 59 -5.033 7.652 -6.886 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.411 9.116 -6.729 1.00 0.00 O ATOM 0 H GLU A 59 -4.361 5.076 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.462 3.969 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.471 6.531 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.781 5.273 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.810 7.254 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.052 6.207 -7.855 1.00 0.00 H new ATOM 749 N ILE A 60 -5.562 6.336 -4.267 1.00 0.00 N ATOM 750 CA ILE A 60 -6.465 6.783 -3.186 1.00 0.00 C ATOM 751 C ILE A 60 -6.814 5.662 -2.193 1.00 0.00 C ATOM 752 O ILE A 60 -6.682 5.859 -0.983 1.00 0.00 O ATOM 753 CB ILE A 60 -7.743 7.394 -3.823 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.509 8.832 -4.337 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.966 7.339 -2.889 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.318 9.904 -3.252 1.00 0.00 C ATOM 0 H ILE A 60 -5.794 6.758 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.945 7.539 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.969 6.763 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.628 8.830 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.357 9.118 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.827 7.781 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.185 6.301 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.752 7.896 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.161 10.874 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.206 9.946 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.451 9.653 -2.641 1.00 0.00 H new ATOM 767 N THR A 61 -7.236 4.493 -2.695 1.00 0.00 N ATOM 768 CA THR A 61 -7.749 3.381 -1.875 1.00 0.00 C ATOM 769 C THR A 61 -6.708 2.835 -0.906 1.00 0.00 C ATOM 770 O THR A 61 -7.069 2.452 0.205 1.00 0.00 O ATOM 771 CB THR A 61 -8.313 2.301 -2.805 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.620 2.718 -3.134 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.381 0.893 -2.203 1.00 0.00 C ATOM 0 H THR A 61 -7.232 4.288 -3.694 1.00 0.00 H new ATOM 0 HA THR A 61 -8.551 3.754 -1.238 1.00 0.00 H new ATOM 0 HB THR A 61 -7.641 2.210 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.219 1.942 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.793 0.202 -2.939 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.379 0.568 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.019 0.906 -1.319 1.00 0.00 H new ATOM 781 N ILE A 62 -5.433 2.810 -1.301 1.00 0.00 N ATOM 782 CA ILE A 62 -4.321 2.337 -0.459 1.00 0.00 C ATOM 783 C ILE A 62 -3.639 3.495 0.292 1.00 0.00 C ATOM 784 O ILE A 62 -3.263 3.323 1.452 1.00 0.00 O ATOM 785 CB ILE A 62 -3.361 1.467 -1.312 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.265 0.827 -0.434 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.760 2.221 -2.514 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.446 -0.248 -1.161 1.00 0.00 C ATOM 0 H ILE A 62 -5.135 3.121 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.705 1.696 0.334 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.967 0.667 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.592 1.608 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.729 0.384 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.098 1.555 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.563 2.561 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.193 3.081 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.695 -0.654 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.108 -1.049 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.953 0.194 -2.027 1.00 0.00 H new ATOM 799 N GLN A 63 -3.575 4.689 -0.307 1.00 0.00 N ATOM 800 CA GLN A 63 -3.149 5.940 0.332 1.00 0.00 C ATOM 801 C GLN A 63 -3.904 6.179 1.639 1.00 0.00 C ATOM 802 O GLN A 63 -3.266 6.392 2.672 1.00 0.00 O ATOM 803 CB GLN A 63 -3.392 7.117 -0.633 1.00 0.00 C ATOM 804 CG GLN A 63 -2.253 7.287 -1.645 1.00 0.00 C ATOM 805 CD GLN A 63 -2.492 8.385 -2.684 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.572 8.951 -2.850 1.00 0.00 O ATOM 807 NE2 GLN A 63 -1.466 8.736 -3.422 1.00 0.00 N ATOM 0 H GLN A 63 -3.828 4.816 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.087 5.864 0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.329 6.958 -1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.505 8.037 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.333 7.509 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.099 6.340 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.565 8.275 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.569 9.470 -4.123 1.00 0.00 H new ATOM 814 N GLU A 64 -5.236 6.074 1.604 1.00 0.00 N ATOM 815 CA GLU A 64 -6.122 6.183 2.766 1.00 0.00 C ATOM 816 C GLU A 64 -5.848 5.130 3.846 1.00 0.00 C ATOM 817 O GLU A 64 -6.044 5.423 5.025 1.00 0.00 O ATOM 818 CB GLU A 64 -7.575 6.070 2.274 1.00 0.00 C ATOM 819 CG GLU A 64 -8.120 7.412 1.768 1.00 0.00 C ATOM 820 CD GLU A 64 -8.713 8.218 2.922 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.842 7.885 3.357 1.00 0.00 O ATOM 822 OE2 GLU A 64 -8.076 9.168 3.438 1.00 0.00 O ATOM 0 H GLU A 64 -5.744 5.905 0.736 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.936 7.148 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.630 5.332 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.205 5.707 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.320 7.980 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.882 7.239 1.008 1.00 0.00 H new ATOM 827 N ARG A 65 -5.379 3.924 3.502 1.00 0.00 N ATOM 828 CA ARG A 65 -5.050 2.895 4.499 1.00 0.00 C ATOM 829 C ARG A 65 -3.722 3.197 5.195 1.00 0.00 C ATOM 830 O ARG A 65 -3.645 3.081 6.416 1.00 0.00 O ATOM 831 CB ARG A 65 -5.083 1.505 3.838 1.00 0.00 C ATOM 832 CG ARG A 65 -4.869 0.308 4.788 1.00 0.00 C ATOM 833 CD ARG A 65 -5.710 0.285 6.075 1.00 0.00 C ATOM 834 NE ARG A 65 -7.139 0.577 5.823 1.00 0.00 N ATOM 835 CZ ARG A 65 -8.155 0.480 6.675 1.00 0.00 C ATOM 836 NH1 ARG A 65 -8.054 -0.058 7.870 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.319 0.960 6.302 1.00 0.00 N ATOM 0 H ARG A 65 -5.218 3.635 2.537 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.803 2.902 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.045 1.383 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.316 1.473 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.073 -0.607 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.816 0.282 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.620 -0.694 6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.312 1.016 6.779 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.373 0.891 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.159 -0.430 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.871 -0.104 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.422 1.391 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.120 0.902 6.931 1.00 0.00 H new ATOM 848 N ILE A 66 -2.693 3.646 4.470 1.00 0.00 N ATOM 849 CA ILE A 66 -1.439 4.098 5.107 1.00 0.00 C ATOM 850 C ILE A 66 -1.668 5.379 5.925 1.00 0.00 C ATOM 851 O ILE A 66 -1.190 5.472 7.057 1.00 0.00 O ATOM 852 CB ILE A 66 -0.298 4.227 4.069 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.266 2.851 3.633 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.888 5.007 4.661 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.574 2.078 2.616 1.00 0.00 C ATOM 0 H ILE A 66 -2.696 3.708 3.452 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.114 3.337 5.817 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.738 4.740 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.260 3.004 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.387 2.231 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.679 5.087 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.559 6.005 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.267 4.482 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.085 1.132 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.562 1.883 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.675 2.667 1.705 1.00 0.00 H new ATOM 866 N ALA A 67 -2.436 6.336 5.396 1.00 0.00 N ATOM 867 CA ALA A 67 -2.746 7.584 6.087 1.00 0.00 C ATOM 868 C ALA A 67 -3.592 7.352 7.354 1.00 0.00 C ATOM 869 O ALA A 67 -3.402 8.059 8.343 1.00 0.00 O ATOM 870 CB ALA A 67 -3.469 8.521 5.111 1.00 0.00 C ATOM 0 H ALA A 67 -2.861 6.263 4.471 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.813 8.040 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.707 9.458 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.825 8.722 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.390 8.049 4.769 1.00 0.00 H new ATOM 876 N ALA A 68 -4.493 6.358 7.368 1.00 0.00 N ATOM 877 CA ALA A 68 -5.338 6.036 8.522 1.00 0.00 C ATOM 878 C ALA A 68 -4.579 5.304 9.640 1.00 0.00 C ATOM 879 O ALA A 68 -4.990 5.367 10.801 1.00 0.00 O ATOM 880 CB ALA A 68 -6.553 5.242 8.036 1.00 0.00 C ATOM 0 H ALA A 68 -4.655 5.749 6.566 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.671 6.969 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.190 4.996 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.117 5.841 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.218 4.323 7.555 1.00 0.00 H new ATOM 886 N LEU A 69 -3.437 4.683 9.323 1.00 0.00 N ATOM 887 CA LEU A 69 -2.431 4.282 10.318 1.00 0.00 C ATOM 888 C LEU A 69 -1.530 5.446 10.788 1.00 0.00 C ATOM 889 O LEU A 69 -0.700 5.254 11.681 1.00 0.00 O ATOM 890 CB LEU A 69 -1.638 3.063 9.799 1.00 0.00 C ATOM 891 CG LEU A 69 -2.248 1.689 10.158 1.00 0.00 C ATOM 892 CD1 LEU A 69 -2.381 1.509 11.678 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.612 1.435 9.507 1.00 0.00 C ATOM 0 H LEU A 69 -3.182 4.443 8.365 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.958 3.980 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.557 3.136 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.625 3.110 10.199 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.546 0.958 9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.813 0.532 11.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.396 1.579 12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.028 2.288 12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.979 0.452 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.318 2.199 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.510 1.472 8.422 1.00 0.00 H new ATOM 904 N GLY A 70 -1.716 6.661 10.260 1.00 0.00 N ATOM 905 CA GLY A 70 -1.073 7.905 10.717 1.00 0.00 C ATOM 906 C GLY A 70 0.222 8.261 9.983 1.00 0.00 C ATOM 907 O GLY A 70 0.851 9.264 10.326 1.00 0.00 O ATOM 0 H GLY A 70 -2.343 6.814 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.779 8.727 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.859 7.818 11.782 1.00 0.00 H new ATOM 911 N TYR A 71 0.627 7.455 8.998 1.00 0.00 N ATOM 912 CA TYR A 71 1.858 7.628 8.216 1.00 0.00 C ATOM 913 C TYR A 71 1.588 8.336 6.869 1.00 0.00 C ATOM 914 O TYR A 71 0.627 9.109 6.760 1.00 0.00 O ATOM 915 CB TYR A 71 2.506 6.244 8.038 1.00 0.00 C ATOM 916 CG TYR A 71 2.795 5.511 9.331 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.841 5.948 10.163 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.026 4.393 9.702 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.135 5.252 11.348 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.323 3.684 10.881 1.00 0.00 C ATOM 921 CZ TYR A 71 3.384 4.110 11.711 1.00 0.00 C ATOM 922 OH TYR A 71 3.648 3.453 12.874 1.00 0.00 O ATOM 0 H TYR A 71 0.090 6.636 8.712 1.00 0.00 H new ATOM 0 HA TYR A 71 2.550 8.282 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.850 5.627 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.439 6.363 7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.419 6.819 9.891 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.203 4.077 9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.939 5.591 11.985 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.741 2.815 11.151 1.00 0.00 H new ATOM 0 HH TYR A 71 3.837 2.511 12.682 1.00 0.00 H new ATOM 931 N THR A 72 2.407 8.066 5.837 1.00 0.00 N ATOM 932 CA THR A 72 2.207 8.591 4.474 1.00 0.00 C ATOM 933 C THR A 72 2.882 7.718 3.413 1.00 0.00 C ATOM 934 O THR A 72 4.054 7.360 3.553 1.00 0.00 O ATOM 935 CB THR A 72 2.697 10.050 4.325 1.00 0.00 C ATOM 936 OG1 THR A 72 3.285 10.570 5.504 1.00 0.00 O ATOM 937 CG2 THR A 72 1.519 10.938 3.927 1.00 0.00 C ATOM 0 H THR A 72 3.232 7.473 5.926 1.00 0.00 H new ATOM 0 HA THR A 72 1.129 8.570 4.311 1.00 0.00 H new ATOM 0 HB THR A 72 3.470 10.045 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.575 11.493 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.859 11.968 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.107 10.592 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.749 10.888 4.697 1.00 0.00 H new ATOM 945 N LEU A 73 2.150 7.398 2.341 1.00 0.00 N ATOM 946 CA LEU A 73 2.620 6.597 1.202 1.00 0.00 C ATOM 947 C LEU A 73 3.375 7.463 0.177 1.00 0.00 C ATOM 948 O LEU A 73 2.934 8.571 -0.149 1.00 0.00 O ATOM 949 CB LEU A 73 1.391 5.914 0.564 1.00 0.00 C ATOM 950 CG LEU A 73 1.708 4.807 -0.465 1.00 0.00 C ATOM 951 CD1 LEU A 73 2.264 3.553 0.223 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.432 4.433 -1.232 1.00 0.00 C ATOM 0 H LEU A 73 1.181 7.699 2.237 1.00 0.00 H new ATOM 0 HA LEU A 73 3.328 5.844 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.782 5.484 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.785 6.677 0.076 1.00 0.00 H new ATOM 0 HG LEU A 73 2.462 5.191 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.478 2.791 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.181 3.806 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.529 3.170 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.659 3.652 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.320 4.070 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.050 5.311 -1.753 1.00 0.00 H new ATOM 963 N ALA A 74 4.476 6.946 -0.377 1.00 0.00 N ATOM 964 CA ALA A 74 5.313 7.618 -1.374 1.00 0.00 C ATOM 965 C ALA A 74 5.238 6.906 -2.742 1.00 0.00 C ATOM 966 O ALA A 74 6.022 6.001 -3.035 1.00 0.00 O ATOM 967 CB ALA A 74 6.740 7.689 -0.812 1.00 0.00 C ATOM 0 H ALA A 74 4.820 6.017 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 74 4.954 8.630 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.390 8.185 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.736 8.252 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.108 6.680 -0.626 1.00 0.00 H new ATOM 973 N GLU A 75 4.277 7.327 -3.574 1.00 0.00 N ATOM 974 CA GLU A 75 4.068 6.869 -4.952 1.00 0.00 C ATOM 975 C GLU A 75 3.951 8.112 -5.864 1.00 0.00 C ATOM 976 O GLU A 75 2.943 8.824 -5.770 1.00 0.00 O ATOM 977 CB GLU A 75 2.804 5.982 -5.006 1.00 0.00 C ATOM 978 CG GLU A 75 2.659 5.130 -6.278 1.00 0.00 C ATOM 979 CD GLU A 75 2.071 5.871 -7.481 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.863 6.209 -7.467 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.783 6.029 -8.499 1.00 0.00 O ATOM 0 H GLU A 75 3.593 8.029 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 75 4.905 6.265 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.807 5.318 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.926 6.621 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.640 4.741 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.027 4.271 -6.053 1.00 0.00 H new ATOM 986 N PRO A 76 4.972 8.430 -6.687 1.00 0.00 N ATOM 987 CA PRO A 76 4.998 9.626 -7.538 1.00 0.00 C ATOM 988 C PRO A 76 4.473 9.377 -8.962 1.00 0.00 C ATOM 989 O PRO A 76 3.460 10.006 -9.348 1.00 0.00 O ATOM 990 CB PRO A 76 6.464 10.071 -7.528 1.00 0.00 C ATOM 991 CG PRO A 76 7.230 8.752 -7.440 1.00 0.00 C ATOM 992 CD PRO A 76 6.316 7.862 -6.595 1.00 0.00 C ATOM 0 HA PRO A 76 4.327 10.396 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.722 10.627 -8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.682 10.720 -6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.406 8.324 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.205 8.885 -6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.328 6.836 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.654 7.834 -5.559 1.00 0.00 H new TER 997 PRO A 76