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 19 CYS SG : rot 180:sc= 0.258 USER MOD Set 1.2: A 22 CYS SG : rot 99:sc= -0.372 USER MOD Set 2.1: A 10 GLN : amide:sc= 0.658 K(o=1.1,f=-0.53) USER MOD Set 2.2: A 12 MET CE :methyl -141:sc= -0.277 (180deg=-1.12) USER MOD Set 2.3: A 52 TYR OH : rot 16:sc= 0.758 USER MOD Set 3.1: A 9 THR OG1 : rot -67:sc= 1.09 USER MOD Set 3.2: A 51 THR OG1 : rot 128:sc= 2.22 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.065) 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=-0.4) USER MOD Single : A 17 MET CE :methyl -171:sc= -0.0119 (180deg=-0.0867) 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 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -7.674 -3.421 -16.833 1.00 0.00 N ATOM 2 CA PRO A 6 -7.162 -4.688 -16.294 1.00 0.00 C ATOM 3 C PRO A 6 -6.188 -4.484 -15.126 1.00 0.00 C ATOM 4 O PRO A 6 -5.664 -3.385 -14.941 1.00 0.00 O ATOM 5 CB PRO A 6 -6.546 -5.407 -17.496 1.00 0.00 C ATOM 6 CG PRO A 6 -7.356 -4.900 -18.699 1.00 0.00 C ATOM 7 CD PRO A 6 -8.290 -3.849 -18.099 1.00 0.00 C ATOM 0 HA PRO A 6 -7.952 -5.291 -15.845 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.487 -5.170 -17.601 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.622 -6.490 -17.393 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.709 -4.469 -19.463 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.915 -5.707 -19.173 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.411 -3.004 -18.777 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.283 -4.264 -17.927 1.00 0.00 H new ATOM 13 N LEU A 7 -5.947 -5.528 -14.326 1.00 0.00 N ATOM 14 CA LEU A 7 -5.067 -5.467 -13.167 1.00 0.00 C ATOM 15 C LEU A 7 -3.597 -5.413 -13.580 1.00 0.00 C ATOM 16 O LEU A 7 -3.139 -6.124 -14.480 1.00 0.00 O ATOM 17 CB LEU A 7 -5.411 -6.593 -12.176 1.00 0.00 C ATOM 18 CG LEU A 7 -5.090 -8.025 -12.662 1.00 0.00 C ATOM 19 CD1 LEU A 7 -3.710 -8.513 -12.191 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.142 -8.984 -12.107 1.00 0.00 C ATOM 0 H LEU A 7 -6.365 -6.447 -14.472 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.237 -4.532 -12.633 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.871 -6.413 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.474 -6.536 -11.943 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.091 -8.004 -13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.536 -9.524 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.938 -7.848 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.677 -8.514 -11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.925 -9.997 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.124 -8.952 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.129 -8.687 -12.463 1.00 0.00 H new ATOM 31 N LYS A 8 -2.862 -4.564 -12.877 1.00 0.00 N ATOM 32 CA LYS A 8 -1.472 -4.194 -13.152 1.00 0.00 C ATOM 33 C LYS A 8 -0.749 -3.839 -11.844 1.00 0.00 C ATOM 34 O LYS A 8 -1.394 -3.468 -10.858 1.00 0.00 O ATOM 35 CB LYS A 8 -1.433 -3.046 -14.184 1.00 0.00 C ATOM 36 CG LYS A 8 -2.076 -1.754 -13.658 1.00 0.00 C ATOM 37 CD LYS A 8 -2.002 -0.600 -14.667 1.00 0.00 C ATOM 38 CE LYS A 8 -2.727 0.644 -14.133 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.109 1.186 -12.901 1.00 0.00 N ATOM 0 H LYS A 8 -3.234 -4.087 -12.056 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.941 -5.040 -13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.398 -2.846 -14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.949 -3.361 -15.091 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.120 -1.948 -13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.579 -1.456 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.959 -0.358 -14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.449 -0.909 -15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.729 1.416 -14.903 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.768 0.393 -13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.552 2.096 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.250 0.516 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.090 1.327 -13.056 1.00 0.00 H new ATOM 49 N THR A 9 0.574 -3.996 -11.822 1.00 0.00 N ATOM 50 CA THR A 9 1.407 -3.941 -10.609 1.00 0.00 C ATOM 51 C THR A 9 2.164 -2.617 -10.517 1.00 0.00 C ATOM 52 O THR A 9 2.437 -1.974 -11.534 1.00 0.00 O ATOM 53 CB THR A 9 2.332 -5.164 -10.602 1.00 0.00 C ATOM 54 OG1 THR A 9 1.511 -6.311 -10.635 1.00 0.00 O ATOM 55 CG2 THR A 9 3.205 -5.282 -9.357 1.00 0.00 C ATOM 0 H THR A 9 1.116 -4.170 -12.668 1.00 0.00 H new ATOM 0 HA THR A 9 0.781 -3.978 -9.717 1.00 0.00 H new ATOM 0 HB THR A 9 2.998 -5.063 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.008 -6.377 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.828 -6.173 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.841 -4.401 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.571 -5.357 -8.474 1.00 0.00 H new ATOM 63 N GLN A 10 2.501 -2.199 -9.296 1.00 0.00 N ATOM 64 CA GLN A 10 3.252 -0.981 -8.997 1.00 0.00 C ATOM 65 C GLN A 10 3.858 -1.052 -7.592 1.00 0.00 C ATOM 66 O GLN A 10 3.291 -1.686 -6.697 1.00 0.00 O ATOM 67 CB GLN A 10 2.386 0.281 -9.179 1.00 0.00 C ATOM 68 CG GLN A 10 1.034 0.242 -8.440 1.00 0.00 C ATOM 69 CD GLN A 10 0.181 1.476 -8.720 1.00 0.00 C ATOM 70 OE1 GLN A 10 -0.203 2.219 -7.826 1.00 0.00 O ATOM 71 NE2 GLN A 10 -0.152 1.750 -9.962 1.00 0.00 N ATOM 0 H GLN A 10 2.248 -2.720 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 10 4.071 -0.908 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.950 1.146 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.200 0.428 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.485 -0.651 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.212 0.162 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.159 1.142 -10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.721 2.571 -10.168 1.00 0.00 H new ATOM 78 N GLN A 11 5.007 -0.394 -7.415 1.00 0.00 N ATOM 79 CA GLN A 11 5.746 -0.300 -6.159 1.00 0.00 C ATOM 80 C GLN A 11 5.834 1.163 -5.684 1.00 0.00 C ATOM 81 O GLN A 11 6.077 2.073 -6.485 1.00 0.00 O ATOM 82 CB GLN A 11 7.143 -0.920 -6.361 1.00 0.00 C ATOM 83 CG GLN A 11 7.954 -1.047 -5.059 1.00 0.00 C ATOM 84 CD GLN A 11 9.398 -1.476 -5.312 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.756 -2.646 -5.222 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.277 -0.559 -5.656 1.00 0.00 N ATOM 0 H GLN A 11 5.464 0.108 -8.176 1.00 0.00 H new ATOM 0 HA GLN A 11 5.223 -0.852 -5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.032 -1.908 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.703 -0.310 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.948 -0.091 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.472 -1.772 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.992 0.417 -5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.244 -0.824 -5.844 1.00 0.00 H new ATOM 93 N MET A 12 5.698 1.383 -4.371 1.00 0.00 N ATOM 94 CA MET A 12 5.765 2.686 -3.704 1.00 0.00 C ATOM 95 C MET A 12 6.662 2.640 -2.465 1.00 0.00 C ATOM 96 O MET A 12 6.873 1.588 -1.854 1.00 0.00 O ATOM 97 CB MET A 12 4.357 3.200 -3.337 1.00 0.00 C ATOM 98 CG MET A 12 3.459 2.226 -2.555 1.00 0.00 C ATOM 99 SD MET A 12 2.581 0.970 -3.531 1.00 0.00 S ATOM 100 CE MET A 12 1.636 2.036 -4.656 1.00 0.00 C ATOM 0 H MET A 12 5.530 0.620 -3.715 1.00 0.00 H new ATOM 0 HA MET A 12 6.209 3.386 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.468 4.111 -2.749 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.843 3.476 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.074 1.714 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.720 2.810 -2.006 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.641 1.617 -4.805 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.549 3.033 -4.225 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.150 2.099 -5.615 1.00 0.00 H new ATOM 108 N GLN A 13 7.177 3.805 -2.082 1.00 0.00 N ATOM 109 CA GLN A 13 7.999 4.004 -0.895 1.00 0.00 C ATOM 110 C GLN A 13 7.103 4.487 0.258 1.00 0.00 C ATOM 111 O GLN A 13 6.390 5.477 0.100 1.00 0.00 O ATOM 112 CB GLN A 13 9.087 5.034 -1.258 1.00 0.00 C ATOM 113 CG GLN A 13 10.031 5.403 -0.104 1.00 0.00 C ATOM 114 CD GLN A 13 11.069 6.470 -0.477 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.148 6.977 -1.595 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.901 6.868 0.460 1.00 0.00 N ATOM 0 H GLN A 13 7.028 4.666 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 13 8.480 3.082 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.680 4.640 -2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.603 5.942 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.439 5.762 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.550 4.505 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.851 6.460 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.596 7.585 0.254 1.00 0.00 H new ATOM 123 N VAL A 14 7.143 3.824 1.418 1.00 0.00 N ATOM 124 CA VAL A 14 6.274 4.114 2.577 1.00 0.00 C ATOM 125 C VAL A 14 7.124 4.527 3.773 1.00 0.00 C ATOM 126 O VAL A 14 8.058 3.827 4.166 1.00 0.00 O ATOM 127 CB VAL A 14 5.307 2.946 2.919 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.910 1.548 2.722 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.687 3.032 4.327 1.00 0.00 C ATOM 0 H VAL A 14 7.791 3.055 1.587 1.00 0.00 H new ATOM 0 HA VAL A 14 5.628 4.949 2.305 1.00 0.00 H new ATOM 0 HB VAL A 14 4.512 3.080 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.169 0.792 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.205 1.423 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.785 1.435 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.026 2.180 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.480 3.020 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.116 3.956 4.418 1.00 0.00 H new ATOM 139 N GLY A 15 6.774 5.674 4.355 1.00 0.00 N ATOM 140 CA GLY A 15 7.467 6.279 5.484 1.00 0.00 C ATOM 141 C GLY A 15 6.930 5.755 6.807 1.00 0.00 C ATOM 142 O GLY A 15 5.798 6.058 7.188 1.00 0.00 O ATOM 0 H GLY A 15 5.974 6.223 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.534 6.069 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.352 7.362 5.446 1.00 0.00 H new ATOM 146 N GLY A 16 7.767 5.010 7.525 1.00 0.00 N ATOM 147 CA GLY A 16 7.574 4.639 8.928 1.00 0.00 C ATOM 148 C GLY A 16 6.912 3.287 9.203 1.00 0.00 C ATOM 149 O GLY A 16 6.931 2.881 10.366 1.00 0.00 O ATOM 0 H GLY A 16 8.630 4.634 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.548 4.645 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.973 5.414 9.404 1.00 0.00 H new ATOM 153 N MET A 17 6.365 2.554 8.215 1.00 0.00 N ATOM 154 CA MET A 17 5.736 1.248 8.513 1.00 0.00 C ATOM 155 C MET A 17 6.718 0.157 8.985 1.00 0.00 C ATOM 156 O MET A 17 6.267 -0.859 9.507 1.00 0.00 O ATOM 157 CB MET A 17 4.870 0.738 7.344 1.00 0.00 C ATOM 158 CG MET A 17 5.658 0.028 6.232 1.00 0.00 C ATOM 159 SD MET A 17 4.615 -0.845 5.040 1.00 0.00 S ATOM 160 CE MET A 17 5.924 -1.701 4.123 1.00 0.00 C ATOM 0 H MET A 17 6.343 2.829 7.233 1.00 0.00 H new ATOM 0 HA MET A 17 5.085 1.451 9.363 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.120 0.051 7.736 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.334 1.582 6.910 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.262 0.764 5.701 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.348 -0.683 6.686 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.499 -2.173 3.237 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.686 -0.983 3.821 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.375 -2.463 4.759 1.00 0.00 H new ATOM 168 N ARG A 18 8.035 0.338 8.798 1.00 0.00 N ATOM 169 CA ARG A 18 9.107 -0.661 9.000 1.00 0.00 C ATOM 170 C ARG A 18 9.316 -1.215 10.435 1.00 0.00 C ATOM 171 O ARG A 18 10.340 -1.845 10.701 1.00 0.00 O ATOM 172 CB ARG A 18 10.425 -0.125 8.400 1.00 0.00 C ATOM 173 CG ARG A 18 10.939 1.135 9.111 1.00 0.00 C ATOM 174 CD ARG A 18 12.321 1.564 8.606 1.00 0.00 C ATOM 175 NE ARG A 18 12.719 2.809 9.273 1.00 0.00 N ATOM 176 CZ ARG A 18 13.942 3.266 9.493 1.00 0.00 C ATOM 177 NH1 ARG A 18 15.039 2.668 9.095 1.00 0.00 N ATOM 178 NH2 ARG A 18 14.105 4.381 10.155 1.00 0.00 N ATOM 0 H ARG A 18 8.406 1.235 8.484 1.00 0.00 H new ATOM 0 HA ARG A 18 8.757 -1.546 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.186 -0.903 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.273 0.097 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.230 1.949 8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.988 0.950 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.053 0.781 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.297 1.709 7.526 1.00 0.00 H new ATOM 0 HE ARG A 18 11.957 3.397 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.983 1.790 8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.949 3.081 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.293 4.893 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.044 4.739 10.328 1.00 0.00 H new ATOM 189 N CYS A 19 8.376 -1.032 11.364 1.00 0.00 N ATOM 190 CA CYS A 19 8.325 -1.813 12.606 1.00 0.00 C ATOM 191 C CYS A 19 7.676 -3.187 12.335 1.00 0.00 C ATOM 192 O CYS A 19 6.695 -3.281 11.595 1.00 0.00 O ATOM 193 CB CYS A 19 7.608 -0.990 13.684 1.00 0.00 C ATOM 194 SG CYS A 19 7.416 -1.983 15.195 1.00 0.00 S ATOM 0 H CYS A 19 7.630 -0.341 11.279 1.00 0.00 H new ATOM 0 HA CYS A 19 9.327 -2.022 12.981 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.177 -0.086 13.902 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.631 -0.672 13.321 1.00 0.00 H new ATOM 0 HG CYS A 19 6.810 -1.278 16.103 1.00 0.00 H new ATOM 199 N ALA A 20 8.204 -4.254 12.943 1.00 0.00 N ATOM 200 CA ALA A 20 7.871 -5.657 12.656 1.00 0.00 C ATOM 201 C ALA A 20 6.410 -6.084 12.947 1.00 0.00 C ATOM 202 O ALA A 20 6.047 -7.227 12.649 1.00 0.00 O ATOM 203 CB ALA A 20 8.876 -6.527 13.424 1.00 0.00 C ATOM 0 H ALA A 20 8.904 -4.162 13.679 1.00 0.00 H new ATOM 0 HA ALA A 20 7.946 -5.794 11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.663 -7.580 13.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.887 -6.296 13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.792 -6.323 14.492 1.00 0.00 H new ATOM 209 N ALA A 21 5.574 -5.204 13.509 1.00 0.00 N ATOM 210 CA ALA A 21 4.132 -5.400 13.721 1.00 0.00 C ATOM 211 C ALA A 21 3.240 -4.385 12.961 1.00 0.00 C ATOM 212 O ALA A 21 2.019 -4.368 13.165 1.00 0.00 O ATOM 213 CB ALA A 21 3.889 -5.337 15.237 1.00 0.00 C ATOM 0 H ALA A 21 5.896 -4.296 13.844 1.00 0.00 H new ATOM 0 HA ALA A 21 3.844 -6.367 13.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.828 -5.478 15.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.461 -6.123 15.730 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.206 -4.365 15.616 1.00 0.00 H new ATOM 219 N CYS A 22 3.829 -3.519 12.121 1.00 0.00 N ATOM 220 CA CYS A 22 3.180 -2.313 11.590 1.00 0.00 C ATOM 221 C CYS A 22 2.964 -2.327 10.073 1.00 0.00 C ATOM 222 O CYS A 22 1.840 -2.057 9.645 1.00 0.00 O ATOM 223 CB CYS A 22 3.987 -1.093 12.054 1.00 0.00 C ATOM 224 SG CYS A 22 3.980 -1.031 13.872 1.00 0.00 S ATOM 0 H CYS A 22 4.785 -3.641 11.787 1.00 0.00 H new ATOM 0 HA CYS A 22 2.167 -2.270 11.990 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.010 -1.156 11.684 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.556 -0.179 11.645 1.00 0.00 H new ATOM 0 HG CYS A 22 5.087 -1.538 14.328 1.00 0.00 H new ATOM 229 N ALA A 23 3.938 -2.761 9.264 1.00 0.00 N ATOM 230 CA ALA A 23 3.692 -3.177 7.880 1.00 0.00 C ATOM 231 C ALA A 23 2.559 -4.227 7.820 1.00 0.00 C ATOM 232 O ALA A 23 1.720 -4.218 6.922 1.00 0.00 O ATOM 233 CB ALA A 23 5.009 -3.712 7.324 1.00 0.00 C ATOM 0 H ALA A 23 4.915 -2.833 9.550 1.00 0.00 H new ATOM 0 HA ALA A 23 3.357 -2.337 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.865 -4.032 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.764 -2.927 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.340 -4.560 7.924 1.00 0.00 H new ATOM 239 N SER A 24 2.458 -5.060 8.856 1.00 0.00 N ATOM 240 CA SER A 24 1.402 -6.057 9.054 1.00 0.00 C ATOM 241 C SER A 24 -0.005 -5.444 9.132 1.00 0.00 C ATOM 242 O SER A 24 -0.971 -6.096 8.747 1.00 0.00 O ATOM 243 CB SER A 24 1.685 -6.839 10.346 1.00 0.00 C ATOM 244 OG SER A 24 2.884 -7.586 10.236 1.00 0.00 O ATOM 0 H SER A 24 3.140 -5.059 9.615 1.00 0.00 H new ATOM 0 HA SER A 24 1.415 -6.713 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.759 -6.147 11.185 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.853 -7.510 10.559 1.00 0.00 H new ATOM 0 HG SER A 24 3.043 -8.074 11.071 1.00 0.00 H new ATOM 249 N SER A 25 -0.157 -4.195 9.578 1.00 0.00 N ATOM 250 CA SER A 25 -1.447 -3.489 9.563 1.00 0.00 C ATOM 251 C SER A 25 -1.851 -3.120 8.127 1.00 0.00 C ATOM 252 O SER A 25 -3.026 -3.205 7.759 1.00 0.00 O ATOM 253 CB SER A 25 -1.374 -2.214 10.423 1.00 0.00 C ATOM 254 OG SER A 25 -0.854 -2.497 11.714 1.00 0.00 O ATOM 0 H SER A 25 0.609 -3.641 9.961 1.00 0.00 H new ATOM 0 HA SER A 25 -2.200 -4.158 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.745 -1.474 9.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.368 -1.777 10.516 1.00 0.00 H new ATOM 0 HG SER A 25 -0.816 -1.671 12.240 1.00 0.00 H new ATOM 259 N ILE A 26 -0.864 -2.758 7.300 1.00 0.00 N ATOM 260 CA ILE A 26 -1.033 -2.350 5.897 1.00 0.00 C ATOM 261 C ILE A 26 -1.300 -3.565 4.996 1.00 0.00 C ATOM 262 O ILE A 26 -2.125 -3.492 4.080 1.00 0.00 O ATOM 263 CB ILE A 26 0.225 -1.586 5.405 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.835 -0.582 6.413 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.104 -0.881 4.081 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.120 0.488 6.956 1.00 0.00 C ATOM 0 H ILE A 26 0.111 -2.740 7.598 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.897 -1.688 5.839 1.00 0.00 H new ATOM 0 HB ILE A 26 1.000 -2.342 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.238 -1.143 7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.676 -0.081 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.775 -0.341 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.398 -1.622 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.923 -0.179 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.415 1.134 7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.505 1.085 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.950 0.006 7.473 1.00 0.00 H new ATOM 277 N GLU A 27 -0.613 -4.679 5.268 1.00 0.00 N ATOM 278 CA GLU A 27 -0.779 -5.938 4.544 1.00 0.00 C ATOM 279 C GLU A 27 -2.114 -6.605 4.917 1.00 0.00 C ATOM 280 O GLU A 27 -2.885 -6.939 4.020 1.00 0.00 O ATOM 281 CB GLU A 27 0.434 -6.862 4.792 1.00 0.00 C ATOM 282 CG GLU A 27 0.577 -7.932 3.697 1.00 0.00 C ATOM 283 CD GLU A 27 1.958 -8.599 3.685 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.344 -9.243 4.692 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.661 -8.519 2.647 1.00 0.00 O ATOM 0 H GLU A 27 0.085 -4.729 6.010 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.816 -5.735 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.343 -6.263 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.327 -7.348 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.187 -8.695 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.392 -7.475 2.725 1.00 0.00 H new ATOM 290 N ARG A 28 -2.459 -6.731 6.210 1.00 0.00 N ATOM 291 CA ARG A 28 -3.737 -7.326 6.644 1.00 0.00 C ATOM 292 C ARG A 28 -4.960 -6.533 6.161 1.00 0.00 C ATOM 293 O ARG A 28 -5.980 -7.135 5.831 1.00 0.00 O ATOM 294 CB ARG A 28 -3.741 -7.472 8.174 1.00 0.00 C ATOM 295 CG ARG A 28 -5.014 -8.064 8.808 1.00 0.00 C ATOM 296 CD ARG A 28 -5.373 -9.494 8.362 1.00 0.00 C ATOM 297 NE ARG A 28 -6.068 -10.202 9.451 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.910 -11.229 9.410 1.00 0.00 C ATOM 299 NH1 ARG A 28 -7.369 -11.758 8.297 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.318 -11.750 10.546 1.00 0.00 N ATOM 0 H ARG A 28 -1.864 -6.426 6.980 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.817 -8.310 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.896 -8.099 8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.569 -6.488 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.895 -8.059 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.853 -7.408 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.008 -9.459 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.468 -10.035 8.084 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.871 -9.847 10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.080 -11.379 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.014 -12.547 8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.988 -11.365 11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.964 -12.539 10.542 1.00 0.00 H new ATOM 311 N ALA A 29 -4.878 -5.200 6.066 1.00 0.00 N ATOM 312 CA ALA A 29 -6.000 -4.387 5.584 1.00 0.00 C ATOM 313 C ALA A 29 -6.374 -4.655 4.115 1.00 0.00 C ATOM 314 O ALA A 29 -7.543 -4.481 3.777 1.00 0.00 O ATOM 315 CB ALA A 29 -5.701 -2.905 5.821 1.00 0.00 C ATOM 0 H ALA A 29 -4.048 -4.663 6.316 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.877 -4.681 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.536 -2.303 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.559 -2.729 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.795 -2.626 5.283 1.00 0.00 H new ATOM 321 N LEU A 30 -5.439 -5.115 3.263 1.00 0.00 N ATOM 322 CA LEU A 30 -5.699 -5.494 1.860 1.00 0.00 C ATOM 323 C LEU A 30 -6.981 -6.307 1.693 1.00 0.00 C ATOM 324 O LEU A 30 -7.844 -5.946 0.892 1.00 0.00 O ATOM 325 CB LEU A 30 -4.499 -6.326 1.349 1.00 0.00 C ATOM 326 CG LEU A 30 -4.557 -6.939 -0.071 1.00 0.00 C ATOM 327 CD1 LEU A 30 -5.442 -8.181 -0.254 1.00 0.00 C ATOM 328 CD2 LEU A 30 -4.903 -5.884 -1.123 1.00 0.00 C ATOM 0 H LEU A 30 -4.463 -5.236 3.535 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.826 -4.577 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.615 -5.690 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.342 -7.143 2.053 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.542 -7.307 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.396 -8.511 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.087 -8.980 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.472 -7.935 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.935 -6.349 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.876 -5.449 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.145 -5.101 -1.116 1.00 0.00 H new ATOM 339 N GLU A 31 -7.115 -7.402 2.444 1.00 0.00 N ATOM 340 CA GLU A 31 -8.220 -8.335 2.247 1.00 0.00 C ATOM 341 C GLU A 31 -9.554 -7.742 2.753 1.00 0.00 C ATOM 342 O GLU A 31 -10.633 -8.245 2.432 1.00 0.00 O ATOM 343 CB GLU A 31 -7.924 -9.684 2.938 1.00 0.00 C ATOM 344 CG GLU A 31 -7.518 -9.540 4.413 1.00 0.00 C ATOM 345 CD GLU A 31 -7.759 -10.802 5.234 1.00 0.00 C ATOM 346 OE1 GLU A 31 -8.873 -10.944 5.778 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.819 -11.614 5.418 1.00 0.00 O ATOM 0 H GLU A 31 -6.472 -7.662 3.192 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.320 -8.511 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.808 -10.318 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.126 -10.193 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.462 -9.277 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.075 -8.715 4.857 1.00 0.00 H new ATOM 352 N ARG A 32 -9.483 -6.661 3.543 1.00 0.00 N ATOM 353 CA ARG A 32 -10.624 -5.959 4.125 1.00 0.00 C ATOM 354 C ARG A 32 -11.109 -4.792 3.243 1.00 0.00 C ATOM 355 O ARG A 32 -12.250 -4.351 3.410 1.00 0.00 O ATOM 356 CB ARG A 32 -10.285 -5.517 5.563 1.00 0.00 C ATOM 357 CG ARG A 32 -9.752 -6.649 6.471 1.00 0.00 C ATOM 358 CD ARG A 32 -10.704 -7.858 6.547 1.00 0.00 C ATOM 359 NE ARG A 32 -10.218 -8.934 7.431 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.351 -8.978 8.753 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.725 -7.942 9.473 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.117 -10.088 9.410 1.00 0.00 N ATOM 0 H ARG A 32 -8.591 -6.239 3.801 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.466 -6.650 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.541 -4.722 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.179 -5.092 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.782 -6.980 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.591 -6.257 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.679 -7.521 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.849 -8.260 5.544 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.736 -9.716 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.928 -7.052 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.812 -8.029 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.830 -10.928 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.222 -10.112 10.424 1.00 0.00 H new ATOM 373 N LEU A 33 -10.306 -4.343 2.268 1.00 0.00 N ATOM 374 CA LEU A 33 -10.763 -3.589 1.080 1.00 0.00 C ATOM 375 C LEU A 33 -11.660 -4.456 0.165 1.00 0.00 C ATOM 376 O LEU A 33 -11.815 -5.657 0.413 1.00 0.00 O ATOM 377 CB LEU A 33 -9.541 -3.097 0.270 1.00 0.00 C ATOM 378 CG LEU A 33 -8.379 -2.458 1.052 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.233 -2.126 0.097 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.775 -1.195 1.821 1.00 0.00 C ATOM 0 H LEU A 33 -9.297 -4.495 2.279 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.349 -2.740 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.144 -3.945 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.893 -2.370 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.069 -3.195 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.413 -1.674 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.884 -3.040 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.583 -1.427 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.905 -0.802 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.146 -0.445 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.556 -1.438 2.542 1.00 0.00 H new ATOM 391 N LYS A 34 -12.170 -3.902 -0.942 1.00 0.00 N ATOM 392 CA LYS A 34 -12.828 -4.676 -2.017 1.00 0.00 C ATOM 393 C LYS A 34 -12.498 -4.164 -3.440 1.00 0.00 C ATOM 394 O LYS A 34 -12.472 -2.954 -3.673 1.00 0.00 O ATOM 395 CB LYS A 34 -14.342 -4.788 -1.736 1.00 0.00 C ATOM 396 CG LYS A 34 -15.176 -3.515 -1.971 1.00 0.00 C ATOM 397 CD LYS A 34 -16.620 -3.744 -1.491 1.00 0.00 C ATOM 398 CE LYS A 34 -17.568 -2.578 -1.810 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.909 -2.520 -3.249 1.00 0.00 N ATOM 0 H LYS A 34 -12.141 -2.899 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.412 -5.683 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.748 -5.583 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.476 -5.098 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.734 -2.675 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.171 -3.256 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.007 -4.652 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.613 -3.911 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.482 -2.683 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.103 -1.639 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.550 -1.720 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.040 -2.394 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.376 -3.405 -3.531 1.00 0.00 H new ATOM 409 N GLY A 35 -12.250 -5.087 -4.381 1.00 0.00 N ATOM 410 CA GLY A 35 -11.847 -4.826 -5.776 1.00 0.00 C ATOM 411 C GLY A 35 -10.334 -4.843 -6.047 1.00 0.00 C ATOM 412 O GLY A 35 -9.906 -4.247 -7.032 1.00 0.00 O ATOM 0 H GLY A 35 -12.328 -6.085 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.321 -5.570 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.240 -3.853 -6.072 1.00 0.00 H new ATOM 416 N VAL A 36 -9.519 -5.490 -5.208 1.00 0.00 N ATOM 417 CA VAL A 36 -8.039 -5.397 -5.191 1.00 0.00 C ATOM 418 C VAL A 36 -7.408 -6.761 -5.516 1.00 0.00 C ATOM 419 O VAL A 36 -7.966 -7.789 -5.134 1.00 0.00 O ATOM 420 CB VAL A 36 -7.529 -4.921 -3.805 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.078 -4.415 -3.884 1.00 0.00 C ATOM 422 CG2 VAL A 36 -8.403 -3.808 -3.197 1.00 0.00 C ATOM 0 H VAL A 36 -9.877 -6.120 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.746 -4.670 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.584 -5.797 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.752 -4.089 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.431 -5.220 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.022 -3.577 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.998 -3.515 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.409 -2.945 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.421 -4.174 -3.069 1.00 0.00 H new ATOM 432 N ALA A 37 -6.258 -6.794 -6.211 1.00 0.00 N ATOM 433 CA ALA A 37 -5.665 -8.047 -6.696 1.00 0.00 C ATOM 434 C ALA A 37 -4.503 -8.595 -5.841 1.00 0.00 C ATOM 435 O ALA A 37 -4.454 -9.812 -5.657 1.00 0.00 O ATOM 436 CB ALA A 37 -5.245 -7.866 -8.160 1.00 0.00 C ATOM 0 H ALA A 37 -5.720 -5.961 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.438 -8.811 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.803 -8.792 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.119 -7.616 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.513 -7.061 -8.232 1.00 0.00 H new ATOM 442 N GLU A 38 -3.584 -7.770 -5.316 1.00 0.00 N ATOM 443 CA GLU A 38 -2.434 -8.203 -4.504 1.00 0.00 C ATOM 444 C GLU A 38 -1.938 -7.031 -3.658 1.00 0.00 C ATOM 445 O GLU A 38 -2.060 -5.886 -4.097 1.00 0.00 O ATOM 446 CB GLU A 38 -1.208 -8.632 -5.337 1.00 0.00 C ATOM 447 CG GLU A 38 -1.395 -9.718 -6.400 1.00 0.00 C ATOM 448 CD GLU A 38 -0.062 -10.038 -7.078 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.684 -9.097 -7.441 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.247 -11.238 -7.271 1.00 0.00 O ATOM 0 H GLU A 38 -3.620 -6.759 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.800 -9.049 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.817 -7.744 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.439 -8.974 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.802 -10.619 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.118 -9.386 -7.145 1.00 0.00 H new ATOM 455 N ALA A 39 -1.274 -7.306 -2.528 1.00 0.00 N ATOM 456 CA ALA A 39 -0.436 -6.318 -1.840 1.00 0.00 C ATOM 457 C ALA A 39 0.604 -6.972 -0.911 1.00 0.00 C ATOM 458 O ALA A 39 0.252 -7.766 -0.039 1.00 0.00 O ATOM 459 CB ALA A 39 -1.341 -5.322 -1.104 1.00 0.00 C ATOM 0 H ALA A 39 -1.303 -8.216 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 39 0.151 -5.776 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.726 -4.583 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.988 -4.819 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.953 -5.855 -0.376 1.00 0.00 H new ATOM 465 N SER A 40 1.879 -6.623 -1.081 1.00 0.00 N ATOM 466 CA SER A 40 3.025 -7.301 -0.454 1.00 0.00 C ATOM 467 C SER A 40 3.994 -6.296 0.203 1.00 0.00 C ATOM 468 O SER A 40 4.551 -5.438 -0.490 1.00 0.00 O ATOM 469 CB SER A 40 3.785 -8.105 -1.529 1.00 0.00 C ATOM 470 OG SER A 40 2.928 -8.925 -2.312 1.00 0.00 O ATOM 0 H SER A 40 2.156 -5.840 -1.674 1.00 0.00 H new ATOM 0 HA SER A 40 2.643 -7.961 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.318 -7.415 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.536 -8.730 -1.046 1.00 0.00 H new ATOM 0 HG SER A 40 3.458 -9.411 -2.978 1.00 0.00 H new ATOM 475 N VAL A 41 4.226 -6.387 1.521 1.00 0.00 N ATOM 476 CA VAL A 41 5.129 -5.468 2.264 1.00 0.00 C ATOM 477 C VAL A 41 6.589 -5.937 2.284 1.00 0.00 C ATOM 478 O VAL A 41 6.863 -7.137 2.294 1.00 0.00 O ATOM 479 CB VAL A 41 4.655 -5.185 3.713 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.265 -4.531 3.700 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.681 -6.415 4.632 1.00 0.00 C ATOM 0 H VAL A 41 3.796 -7.099 2.112 1.00 0.00 H new ATOM 0 HA VAL A 41 5.080 -4.536 1.701 1.00 0.00 H new ATOM 0 HB VAL A 41 5.379 -4.492 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.944 -4.338 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.310 -3.591 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.553 -5.200 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.335 -6.133 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.027 -7.187 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.699 -6.799 4.697 1.00 0.00 H new ATOM 491 N THR A 42 7.522 -4.974 2.346 1.00 0.00 N ATOM 492 CA THR A 42 8.954 -5.200 2.590 1.00 0.00 C ATOM 493 C THR A 42 9.432 -4.253 3.692 1.00 0.00 C ATOM 494 O THR A 42 9.717 -3.082 3.445 1.00 0.00 O ATOM 495 CB THR A 42 9.747 -5.024 1.287 1.00 0.00 C ATOM 496 OG1 THR A 42 9.325 -6.020 0.383 1.00 0.00 O ATOM 497 CG2 THR A 42 11.250 -5.235 1.477 1.00 0.00 C ATOM 0 H THR A 42 7.293 -3.988 2.224 1.00 0.00 H new ATOM 0 HA THR A 42 9.121 -6.222 2.929 1.00 0.00 H new ATOM 0 HB THR A 42 9.570 -4.007 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.817 -5.927 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.760 -5.098 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.630 -4.512 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.432 -6.245 1.844 1.00 0.00 H new ATOM 505 N VAL A 43 9.531 -4.766 4.918 1.00 0.00 N ATOM 506 CA VAL A 43 9.991 -4.026 6.109 1.00 0.00 C ATOM 507 C VAL A 43 11.489 -3.670 6.018 1.00 0.00 C ATOM 508 O VAL A 43 11.900 -2.610 6.494 1.00 0.00 O ATOM 509 CB VAL A 43 9.699 -4.844 7.392 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.498 -4.371 8.616 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.204 -4.737 7.728 1.00 0.00 C ATOM 0 H VAL A 43 9.288 -5.735 5.124 1.00 0.00 H new ATOM 0 HA VAL A 43 9.438 -3.088 6.154 1.00 0.00 H new ATOM 0 HB VAL A 43 9.999 -5.870 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.243 -4.988 9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.565 -4.458 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.253 -3.331 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.992 -5.311 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.942 -3.692 7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.616 -5.132 6.900 1.00 0.00 H new ATOM 521 N ALA A 44 12.314 -4.514 5.383 1.00 0.00 N ATOM 522 CA ALA A 44 13.755 -4.278 5.199 1.00 0.00 C ATOM 523 C ALA A 44 14.108 -3.075 4.295 1.00 0.00 C ATOM 524 O ALA A 44 15.280 -2.703 4.211 1.00 0.00 O ATOM 525 CB ALA A 44 14.387 -5.565 4.662 1.00 0.00 C ATOM 0 H ALA A 44 11.995 -5.393 4.976 1.00 0.00 H new ATOM 0 HA ALA A 44 14.162 -4.010 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.457 -5.412 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.229 -6.373 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.926 -5.827 3.709 1.00 0.00 H new ATOM 531 N THR A 45 13.121 -2.471 3.618 1.00 0.00 N ATOM 532 CA THR A 45 13.290 -1.278 2.767 1.00 0.00 C ATOM 533 C THR A 45 12.277 -0.177 3.079 1.00 0.00 C ATOM 534 O THR A 45 12.548 0.991 2.795 1.00 0.00 O ATOM 535 CB THR A 45 13.212 -1.662 1.281 1.00 0.00 C ATOM 536 OG1 THR A 45 11.950 -2.215 0.995 1.00 0.00 O ATOM 537 CG2 THR A 45 14.282 -2.679 0.874 1.00 0.00 C ATOM 0 H THR A 45 12.158 -2.805 3.646 1.00 0.00 H new ATOM 0 HA THR A 45 14.278 -0.875 2.989 1.00 0.00 H new ATOM 0 HB THR A 45 13.379 -0.745 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.906 -2.456 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.178 -2.912 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.271 -2.260 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.160 -3.590 1.460 1.00 0.00 H new ATOM 545 N GLY A 46 11.121 -0.517 3.660 1.00 0.00 N ATOM 546 CA GLY A 46 10.003 0.413 3.848 1.00 0.00 C ATOM 547 C GLY A 46 9.311 0.688 2.515 1.00 0.00 C ATOM 548 O GLY A 46 9.074 1.843 2.148 1.00 0.00 O ATOM 0 H GLY A 46 10.934 -1.454 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.288 -0.006 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.366 1.347 4.276 1.00 0.00 H new ATOM 552 N ARG A 47 9.010 -0.380 1.770 1.00 0.00 N ATOM 553 CA ARG A 47 8.402 -0.324 0.440 1.00 0.00 C ATOM 554 C ARG A 47 7.287 -1.361 0.329 1.00 0.00 C ATOM 555 O ARG A 47 7.192 -2.291 1.137 1.00 0.00 O ATOM 556 CB ARG A 47 9.455 -0.526 -0.665 1.00 0.00 C ATOM 557 CG ARG A 47 10.597 0.501 -0.590 1.00 0.00 C ATOM 558 CD ARG A 47 11.435 0.593 -1.873 1.00 0.00 C ATOM 559 NE ARG A 47 12.400 -0.511 -2.023 1.00 0.00 N ATOM 560 CZ ARG A 47 13.725 -0.398 -1.973 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.333 0.656 -1.474 1.00 0.00 N ATOM 562 NH2 ARG A 47 14.485 -1.368 -2.421 1.00 0.00 N ATOM 0 H ARG A 47 9.188 -1.333 2.086 1.00 0.00 H new ATOM 0 HA ARG A 47 7.971 0.668 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.870 -1.531 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.972 -0.455 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.176 1.482 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.252 0.242 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.767 0.601 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.974 1.540 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 47 12.018 -1.444 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.785 1.433 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.352 0.697 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.061 -2.211 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.500 -1.280 -2.382 1.00 0.00 H new ATOM 573 N LEU A 48 6.419 -1.173 -0.660 1.00 0.00 N ATOM 574 CA LEU A 48 5.240 -2.002 -0.881 1.00 0.00 C ATOM 575 C LEU A 48 5.028 -2.183 -2.381 1.00 0.00 C ATOM 576 O LEU A 48 5.231 -1.235 -3.139 1.00 0.00 O ATOM 577 CB LEU A 48 4.036 -1.323 -0.191 1.00 0.00 C ATOM 578 CG LEU A 48 3.099 -2.324 0.505 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.225 -1.585 1.516 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.165 -3.080 -0.450 1.00 0.00 C ATOM 0 H LEU A 48 6.518 -0.424 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 48 5.363 -2.996 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.402 -0.606 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.470 -0.759 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 48 3.752 -3.058 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.561 -2.294 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.858 -1.103 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.631 -0.830 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.538 -3.765 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.534 -2.368 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.759 -3.645 -1.169 1.00 0.00 H new ATOM 591 N THR A 49 4.605 -3.381 -2.784 1.00 0.00 N ATOM 592 CA THR A 49 4.180 -3.717 -4.152 1.00 0.00 C ATOM 593 C THR A 49 2.703 -4.070 -4.094 1.00 0.00 C ATOM 594 O THR A 49 2.318 -4.933 -3.310 1.00 0.00 O ATOM 595 CB THR A 49 5.001 -4.884 -4.720 1.00 0.00 C ATOM 596 OG1 THR A 49 6.371 -4.541 -4.731 1.00 0.00 O ATOM 597 CG2 THR A 49 4.588 -5.180 -6.164 1.00 0.00 C ATOM 0 H THR A 49 4.545 -4.176 -2.148 1.00 0.00 H new ATOM 0 HA THR A 49 4.345 -2.869 -4.816 1.00 0.00 H new ATOM 0 HB THR A 49 4.822 -5.757 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.892 -5.288 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.181 -6.010 -6.549 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.531 -5.445 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.758 -4.296 -6.779 1.00 0.00 H new ATOM 605 N VAL A 50 1.882 -3.409 -4.905 1.00 0.00 N ATOM 606 CA VAL A 50 0.418 -3.599 -4.958 1.00 0.00 C ATOM 607 C VAL A 50 -0.021 -3.875 -6.402 1.00 0.00 C ATOM 608 O VAL A 50 0.595 -3.358 -7.339 1.00 0.00 O ATOM 609 CB VAL A 50 -0.314 -2.380 -4.330 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.143 -1.105 -5.166 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.813 -2.602 -4.072 1.00 0.00 C ATOM 0 H VAL A 50 2.216 -2.706 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 50 0.140 -4.469 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 50 0.173 -2.259 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.672 -0.282 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.916 -0.860 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.551 -1.267 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.244 -1.702 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.315 -2.823 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.944 -3.439 -3.386 1.00 0.00 H new ATOM 621 N THR A 51 -1.076 -4.682 -6.580 1.00 0.00 N ATOM 622 CA THR A 51 -1.687 -4.988 -7.884 1.00 0.00 C ATOM 623 C THR A 51 -3.185 -4.726 -7.809 1.00 0.00 C ATOM 624 O THR A 51 -3.841 -5.156 -6.860 1.00 0.00 O ATOM 625 CB THR A 51 -1.405 -6.439 -8.306 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.006 -6.655 -8.311 1.00 0.00 O ATOM 627 CG2 THR A 51 -1.889 -6.759 -9.726 1.00 0.00 C ATOM 0 H THR A 51 -1.541 -5.152 -5.803 1.00 0.00 H new ATOM 0 HA THR A 51 -1.245 -4.341 -8.642 1.00 0.00 H new ATOM 0 HB THR A 51 -1.936 -7.072 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.203 -7.455 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.660 -7.798 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.966 -6.601 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.385 -6.105 -10.438 1.00 0.00 H new ATOM 635 N TYR A 52 -3.726 -4.051 -8.825 1.00 0.00 N ATOM 636 CA TYR A 52 -5.149 -3.688 -8.940 1.00 0.00 C ATOM 637 C TYR A 52 -5.530 -3.178 -10.341 1.00 0.00 C ATOM 638 O TYR A 52 -4.668 -2.699 -11.083 1.00 0.00 O ATOM 639 CB TYR A 52 -5.526 -2.636 -7.880 1.00 0.00 C ATOM 640 CG TYR A 52 -4.851 -1.276 -8.018 1.00 0.00 C ATOM 641 CD1 TYR A 52 -3.620 -1.027 -7.381 1.00 0.00 C ATOM 642 CD2 TYR A 52 -5.458 -0.248 -8.767 1.00 0.00 C ATOM 643 CE1 TYR A 52 -3.009 0.240 -7.471 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.846 1.016 -8.877 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.625 1.270 -8.215 1.00 0.00 C ATOM 646 OH TYR A 52 -3.030 2.489 -8.326 1.00 0.00 O ATOM 0 H TYR A 52 -3.172 -3.729 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.714 -4.604 -8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.606 -2.488 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.288 -3.039 -6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.140 -1.814 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.401 -0.431 -9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.069 0.423 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.311 1.791 -9.468 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.089 2.419 -8.061 1.00 0.00 H new ATOM 655 N ASP A 53 -6.817 -3.239 -10.698 1.00 0.00 N ATOM 656 CA ASP A 53 -7.394 -2.602 -11.887 1.00 0.00 C ATOM 657 C ASP A 53 -7.776 -1.130 -11.597 1.00 0.00 C ATOM 658 O ASP A 53 -8.530 -0.883 -10.644 1.00 0.00 O ATOM 659 CB ASP A 53 -8.623 -3.399 -12.352 1.00 0.00 C ATOM 660 CG ASP A 53 -9.438 -2.624 -13.390 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.006 -2.525 -14.561 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.483 -2.059 -12.995 1.00 0.00 O ATOM 0 H ASP A 53 -7.509 -3.750 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.648 -2.600 -12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.301 -4.350 -12.777 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.253 -3.631 -11.493 1.00 0.00 H new ATOM 666 N PRO A 54 -7.324 -0.163 -12.430 1.00 0.00 N ATOM 667 CA PRO A 54 -7.493 1.278 -12.213 1.00 0.00 C ATOM 668 C PRO A 54 -8.930 1.793 -12.440 1.00 0.00 C ATOM 669 O PRO A 54 -9.125 3.001 -12.574 1.00 0.00 O ATOM 670 CB PRO A 54 -6.478 1.936 -13.160 1.00 0.00 C ATOM 671 CG PRO A 54 -6.457 0.974 -14.341 1.00 0.00 C ATOM 672 CD PRO A 54 -6.526 -0.375 -13.635 1.00 0.00 C ATOM 0 HA PRO A 54 -7.315 1.531 -11.168 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.790 2.937 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.496 2.033 -12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.302 1.130 -15.012 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.552 1.078 -14.939 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.983 -1.128 -14.277 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.528 -0.734 -13.383 1.00 0.00 H new ATOM 677 N LYS A 55 -9.931 0.904 -12.494 1.00 0.00 N ATOM 678 CA LYS A 55 -11.359 1.235 -12.653 1.00 0.00 C ATOM 679 C LYS A 55 -12.244 0.574 -11.584 1.00 0.00 C ATOM 680 O LYS A 55 -13.305 1.117 -11.261 1.00 0.00 O ATOM 681 CB LYS A 55 -11.839 0.836 -14.065 1.00 0.00 C ATOM 682 CG LYS A 55 -11.524 1.865 -15.157 1.00 0.00 C ATOM 683 CD LYS A 55 -12.338 3.158 -14.985 1.00 0.00 C ATOM 684 CE LYS A 55 -12.155 4.061 -16.204 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.075 5.221 -16.177 1.00 0.00 N ATOM 0 H LYS A 55 -9.766 -0.100 -12.426 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.456 2.313 -12.522 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.380 -0.115 -14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.916 0.673 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.460 2.101 -15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.735 1.432 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.393 2.918 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.018 3.681 -14.084 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.125 4.416 -16.241 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.326 3.483 -17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.918 5.808 -17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.059 4.884 -16.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.895 5.787 -15.323 1.00 0.00 H new ATOM 695 N GLN A 56 -11.808 -0.545 -10.996 1.00 0.00 N ATOM 696 CA GLN A 56 -12.338 -1.038 -9.723 1.00 0.00 C ATOM 697 C GLN A 56 -11.850 -0.164 -8.556 1.00 0.00 C ATOM 698 O GLN A 56 -12.665 0.235 -7.722 1.00 0.00 O ATOM 699 CB GLN A 56 -11.938 -2.507 -9.488 1.00 0.00 C ATOM 700 CG GLN A 56 -12.535 -3.478 -10.523 1.00 0.00 C ATOM 701 CD GLN A 56 -12.532 -4.930 -10.043 1.00 0.00 C ATOM 702 OE1 GLN A 56 -13.564 -5.595 -10.027 1.00 0.00 O ATOM 703 NE2 GLN A 56 -11.416 -5.472 -9.610 1.00 0.00 N ATOM 0 H GLN A 56 -11.076 -1.135 -11.391 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.425 -0.982 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.851 -2.588 -9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.260 -2.808 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.558 -3.177 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.969 -3.406 -11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.551 -4.932 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.415 -6.433 -9.267 1.00 0.00 H new ATOM 710 N VAL A 57 -10.552 0.166 -8.505 1.00 0.00 N ATOM 711 CA VAL A 57 -9.932 0.931 -7.400 1.00 0.00 C ATOM 712 C VAL A 57 -8.774 1.797 -7.918 1.00 0.00 C ATOM 713 O VAL A 57 -8.454 1.756 -9.104 1.00 0.00 O ATOM 714 CB VAL A 57 -9.468 0.031 -6.219 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.629 -0.696 -5.524 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.408 -0.991 -6.643 1.00 0.00 C ATOM 0 H VAL A 57 -9.890 -0.091 -9.237 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.709 1.583 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.023 0.721 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.240 -1.307 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.330 0.037 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.142 -1.334 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.119 -1.594 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.817 -1.639 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.533 -0.469 -7.031 1.00 0.00 H new ATOM 726 N SER A 58 -8.149 2.599 -7.054 1.00 0.00 N ATOM 727 CA SER A 58 -7.091 3.542 -7.439 1.00 0.00 C ATOM 728 C SER A 58 -6.043 3.720 -6.326 1.00 0.00 C ATOM 729 O SER A 58 -5.998 2.926 -5.382 1.00 0.00 O ATOM 730 CB SER A 58 -7.741 4.875 -7.840 1.00 0.00 C ATOM 731 OG SER A 58 -8.236 5.607 -6.727 1.00 0.00 O ATOM 0 H SER A 58 -8.363 2.614 -6.057 1.00 0.00 H new ATOM 0 HA SER A 58 -6.546 3.140 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.010 5.484 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.559 4.680 -8.533 1.00 0.00 H new ATOM 0 HG SER A 58 -8.637 6.445 -7.039 1.00 0.00 H new ATOM 736 N GLU A 59 -5.239 4.792 -6.373 1.00 0.00 N ATOM 737 CA GLU A 59 -4.338 5.193 -5.279 1.00 0.00 C ATOM 738 C GLU A 59 -5.052 5.225 -3.914 1.00 0.00 C ATOM 739 O GLU A 59 -4.443 4.954 -2.883 1.00 0.00 O ATOM 740 CB GLU A 59 -3.757 6.586 -5.560 1.00 0.00 C ATOM 741 CG GLU A 59 -3.019 6.688 -6.901 1.00 0.00 C ATOM 742 CD GLU A 59 -3.868 7.342 -7.987 1.00 0.00 C ATOM 743 OE1 GLU A 59 -4.824 6.712 -8.498 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.573 8.512 -8.328 1.00 0.00 O ATOM 0 H GLU A 59 -5.194 5.413 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.545 4.446 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.565 7.317 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.070 6.852 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.103 7.263 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.724 5.690 -7.226 1.00 0.00 H new ATOM 749 N ILE A 60 -6.363 5.493 -3.886 1.00 0.00 N ATOM 750 CA ILE A 60 -7.216 5.474 -2.685 1.00 0.00 C ATOM 751 C ILE A 60 -7.125 4.146 -1.899 1.00 0.00 C ATOM 752 O ILE A 60 -7.083 4.180 -0.662 1.00 0.00 O ATOM 753 CB ILE A 60 -8.657 5.836 -3.122 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.794 7.299 -3.608 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.692 5.524 -2.034 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.539 8.378 -2.548 1.00 0.00 C ATOM 0 H ILE A 60 -6.881 5.739 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.861 6.217 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.868 5.194 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.099 7.455 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.799 7.438 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.686 5.796 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.667 4.459 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.459 6.095 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.662 9.364 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.250 8.260 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.524 8.278 -2.164 1.00 0.00 H new ATOM 767 N THR A 61 -6.992 2.999 -2.588 1.00 0.00 N ATOM 768 CA THR A 61 -6.820 1.645 -2.007 1.00 0.00 C ATOM 769 C THR A 61 -5.527 1.480 -1.209 1.00 0.00 C ATOM 770 O THR A 61 -5.357 0.502 -0.475 1.00 0.00 O ATOM 771 CB THR A 61 -6.985 0.602 -3.134 1.00 0.00 C ATOM 772 OG1 THR A 61 -8.202 -0.063 -2.905 1.00 0.00 O ATOM 773 CG2 THR A 61 -5.907 -0.473 -3.302 1.00 0.00 C ATOM 0 H THR A 61 -7.001 2.984 -3.608 1.00 0.00 H new ATOM 0 HA THR A 61 -7.597 1.484 -1.260 1.00 0.00 H new ATOM 0 HB THR A 61 -6.920 1.187 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.344 -0.735 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.170 -1.125 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.947 0.003 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.835 -1.062 -2.388 1.00 0.00 H new ATOM 781 N ILE A 62 -4.601 2.432 -1.312 1.00 0.00 N ATOM 782 CA ILE A 62 -3.339 2.400 -0.556 1.00 0.00 C ATOM 783 C ILE A 62 -2.991 3.713 0.164 1.00 0.00 C ATOM 784 O ILE A 62 -2.396 3.647 1.236 1.00 0.00 O ATOM 785 CB ILE A 62 -2.252 1.804 -1.475 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.052 1.285 -0.653 1.00 0.00 C ATOM 787 CG2 ILE A 62 -1.801 2.766 -2.586 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.371 0.085 -1.322 1.00 0.00 C ATOM 0 H ILE A 62 -4.699 3.247 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.437 1.741 0.307 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.711 0.956 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.326 2.088 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.391 1.000 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.036 2.285 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.655 3.024 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.392 3.672 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.467 -0.246 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.088 -0.729 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.007 0.376 -2.307 1.00 0.00 H new ATOM 799 N GLN A 63 -3.471 4.865 -0.312 1.00 0.00 N ATOM 800 CA GLN A 63 -3.447 6.158 0.384 1.00 0.00 C ATOM 801 C GLN A 63 -4.121 6.062 1.759 1.00 0.00 C ATOM 802 O GLN A 63 -3.427 6.131 2.772 1.00 0.00 O ATOM 803 CB GLN A 63 -4.133 7.244 -0.475 1.00 0.00 C ATOM 804 CG GLN A 63 -3.240 7.865 -1.567 1.00 0.00 C ATOM 805 CD GLN A 63 -3.926 9.029 -2.298 1.00 0.00 C ATOM 806 OE1 GLN A 63 -5.135 9.219 -2.239 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.201 9.882 -2.984 1.00 0.00 N ATOM 0 H GLN A 63 -3.906 4.927 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.405 6.436 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.013 6.810 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.484 8.039 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.313 8.220 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.968 7.096 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.192 9.753 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.647 10.673 -3.448 1.00 0.00 H new ATOM 814 N GLU A 64 -5.448 5.874 1.827 1.00 0.00 N ATOM 815 CA GLU A 64 -6.168 5.867 3.116 1.00 0.00 C ATOM 816 C GLU A 64 -5.677 4.738 4.034 1.00 0.00 C ATOM 817 O GLU A 64 -5.697 4.862 5.261 1.00 0.00 O ATOM 818 CB GLU A 64 -7.687 5.699 2.930 1.00 0.00 C ATOM 819 CG GLU A 64 -8.336 6.602 1.880 1.00 0.00 C ATOM 820 CD GLU A 64 -9.856 6.521 2.000 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.451 5.458 1.688 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.458 7.515 2.469 1.00 0.00 O ATOM 0 H GLU A 64 -6.043 5.726 1.012 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.961 6.835 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.888 4.662 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.173 5.881 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.005 7.631 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.024 6.297 0.881 1.00 0.00 H new ATOM 827 N ARG A 65 -5.219 3.640 3.423 1.00 0.00 N ATOM 828 CA ARG A 65 -4.716 2.442 4.087 1.00 0.00 C ATOM 829 C ARG A 65 -3.314 2.609 4.690 1.00 0.00 C ATOM 830 O ARG A 65 -2.875 1.745 5.442 1.00 0.00 O ATOM 831 CB ARG A 65 -4.709 1.301 3.058 1.00 0.00 C ATOM 832 CG ARG A 65 -4.826 -0.098 3.687 1.00 0.00 C ATOM 833 CD ARG A 65 -3.904 -1.124 3.018 1.00 0.00 C ATOM 834 NE ARG A 65 -4.067 -1.184 1.559 1.00 0.00 N ATOM 835 CZ ARG A 65 -3.493 -2.064 0.752 1.00 0.00 C ATOM 836 NH1 ARG A 65 -2.691 -3.010 1.203 1.00 0.00 N ATOM 837 NH2 ARG A 65 -3.746 -1.979 -0.536 1.00 0.00 N ATOM 0 H ARG A 65 -5.189 3.563 2.406 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.375 2.227 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.534 1.447 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.788 1.353 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.585 -0.036 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.858 -0.440 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.868 -0.879 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.101 -2.110 3.440 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.676 -0.487 1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.496 -3.080 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.266 -3.671 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.368 -1.251 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.320 -2.641 -1.184 1.00 0.00 H new ATOM 848 N ILE A 66 -2.601 3.688 4.369 1.00 0.00 N ATOM 849 CA ILE A 66 -1.317 4.049 4.995 1.00 0.00 C ATOM 850 C ILE A 66 -1.483 5.316 5.844 1.00 0.00 C ATOM 851 O ILE A 66 -0.998 5.356 6.974 1.00 0.00 O ATOM 852 CB ILE A 66 -0.230 4.154 3.893 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.067 2.736 3.342 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.064 4.786 4.434 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.999 2.691 2.126 1.00 0.00 C ATOM 0 H ILE A 66 -2.900 4.352 3.654 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.985 3.276 5.688 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.604 4.798 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.508 2.138 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.877 2.263 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.803 4.843 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.852 5.789 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.456 4.174 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.144 1.656 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.555 3.256 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.962 3.129 2.389 1.00 0.00 H new ATOM 866 N ALA A 67 -2.222 6.312 5.350 1.00 0.00 N ATOM 867 CA ALA A 67 -2.392 7.610 6.001 1.00 0.00 C ATOM 868 C ALA A 67 -3.121 7.498 7.355 1.00 0.00 C ATOM 869 O ALA A 67 -2.600 7.933 8.384 1.00 0.00 O ATOM 870 CB ALA A 67 -3.147 8.527 5.025 1.00 0.00 C ATOM 0 H ALA A 67 -2.729 6.236 4.468 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.414 8.030 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.290 9.506 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.569 8.636 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.118 8.090 4.792 1.00 0.00 H new ATOM 876 N ALA A 68 -4.312 6.882 7.375 1.00 0.00 N ATOM 877 CA ALA A 68 -5.132 6.756 8.588 1.00 0.00 C ATOM 878 C ALA A 68 -4.640 5.647 9.536 1.00 0.00 C ATOM 879 O ALA A 68 -4.930 5.680 10.733 1.00 0.00 O ATOM 880 CB ALA A 68 -6.585 6.532 8.162 1.00 0.00 C ATOM 0 H ALA A 68 -4.734 6.457 6.549 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.047 7.678 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.213 6.435 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.925 7.380 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.654 5.621 7.568 1.00 0.00 H new ATOM 886 N LEU A 69 -3.866 4.686 9.014 1.00 0.00 N ATOM 887 CA LEU A 69 -3.152 3.681 9.810 1.00 0.00 C ATOM 888 C LEU A 69 -1.985 4.289 10.613 1.00 0.00 C ATOM 889 O LEU A 69 -1.614 3.703 11.631 1.00 0.00 O ATOM 890 CB LEU A 69 -2.702 2.528 8.888 1.00 0.00 C ATOM 891 CG LEU A 69 -3.778 1.459 8.574 1.00 0.00 C ATOM 892 CD1 LEU A 69 -4.146 0.633 9.816 1.00 0.00 C ATOM 893 CD2 LEU A 69 -5.066 2.031 7.955 1.00 0.00 C ATOM 0 H LEU A 69 -3.717 4.584 8.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.833 3.278 10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.355 2.954 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.847 2.032 9.348 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.310 0.817 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.904 -0.105 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.258 0.123 10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.538 1.294 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.769 1.220 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.515 2.746 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.827 2.532 7.017 1.00 0.00 H new ATOM 904 N GLY A 70 -1.471 5.469 10.235 1.00 0.00 N ATOM 905 CA GLY A 70 -0.508 6.255 11.028 1.00 0.00 C ATOM 906 C GLY A 70 0.755 6.712 10.296 1.00 0.00 C ATOM 907 O GLY A 70 1.673 7.224 10.938 1.00 0.00 O ATOM 0 H GLY A 70 -1.717 5.915 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.020 7.137 11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.208 5.660 11.891 1.00 0.00 H new ATOM 911 N TYR A 71 0.835 6.517 8.978 1.00 0.00 N ATOM 912 CA TYR A 71 2.074 6.635 8.199 1.00 0.00 C ATOM 913 C TYR A 71 1.912 7.528 6.945 1.00 0.00 C ATOM 914 O TYR A 71 0.939 8.288 6.842 1.00 0.00 O ATOM 915 CB TYR A 71 2.557 5.198 7.917 1.00 0.00 C ATOM 916 CG TYR A 71 2.903 4.417 9.179 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.933 4.870 10.028 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.155 3.278 9.542 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.206 4.202 11.237 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.433 2.595 10.743 1.00 0.00 C ATOM 921 CZ TYR A 71 3.461 3.057 11.598 1.00 0.00 C ATOM 922 OH TYR A 71 3.725 2.407 12.766 1.00 0.00 O ATOM 0 H TYR A 71 0.026 6.268 8.409 1.00 0.00 H new ATOM 0 HA TYR A 71 2.845 7.163 8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.782 4.663 7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.434 5.238 7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.517 5.735 9.749 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.364 2.927 8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.986 4.565 11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.861 1.719 11.011 1.00 0.00 H new ATOM 0 HH TYR A 71 3.120 1.642 12.859 1.00 0.00 H new ATOM 931 N THR A 72 2.861 7.478 5.997 1.00 0.00 N ATOM 932 CA THR A 72 2.841 8.274 4.750 1.00 0.00 C ATOM 933 C THR A 72 3.430 7.480 3.581 1.00 0.00 C ATOM 934 O THR A 72 4.047 6.442 3.807 1.00 0.00 O ATOM 935 CB THR A 72 3.566 9.613 4.971 1.00 0.00 C ATOM 936 OG1 THR A 72 3.290 10.464 3.889 1.00 0.00 O ATOM 937 CG2 THR A 72 5.083 9.473 5.081 1.00 0.00 C ATOM 0 H THR A 72 3.680 6.874 6.073 1.00 0.00 H new ATOM 0 HA THR A 72 1.807 8.496 4.485 1.00 0.00 H new ATOM 0 HB THR A 72 3.201 10.013 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.747 11.321 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.529 10.456 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.329 8.826 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.476 9.037 4.162 1.00 0.00 H new ATOM 945 N LEU A 73 3.245 7.949 2.343 1.00 0.00 N ATOM 946 CA LEU A 73 3.600 7.221 1.114 1.00 0.00 C ATOM 947 C LEU A 73 4.047 8.126 -0.047 1.00 0.00 C ATOM 948 O LEU A 73 3.765 9.329 -0.075 1.00 0.00 O ATOM 949 CB LEU A 73 2.449 6.277 0.687 1.00 0.00 C ATOM 950 CG LEU A 73 1.175 6.937 0.103 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.285 5.859 -0.536 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.347 7.696 1.154 1.00 0.00 C ATOM 0 H LEU A 73 2.836 8.865 2.160 1.00 0.00 H new ATOM 0 HA LEU A 73 4.477 6.623 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.840 5.581 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.156 5.686 1.555 1.00 0.00 H new ATOM 0 HG LEU A 73 1.513 7.664 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.611 6.324 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.834 5.361 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.000 5.127 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.531 8.134 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.030 7.005 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.954 8.487 1.594 1.00 0.00 H new ATOM 963 N ALA A 74 4.724 7.522 -1.027 1.00 0.00 N ATOM 964 CA ALA A 74 5.085 8.116 -2.313 1.00 0.00 C ATOM 965 C ALA A 74 5.124 7.047 -3.423 1.00 0.00 C ATOM 966 O ALA A 74 5.870 6.072 -3.326 1.00 0.00 O ATOM 967 CB ALA A 74 6.442 8.825 -2.174 1.00 0.00 C ATOM 0 H ALA A 74 5.050 6.560 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 74 4.329 8.847 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.719 9.271 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.369 9.605 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.202 8.102 -1.877 1.00 0.00 H new ATOM 973 N GLU A 75 4.337 7.249 -4.483 1.00 0.00 N ATOM 974 CA GLU A 75 4.415 6.516 -5.752 1.00 0.00 C ATOM 975 C GLU A 75 5.009 7.494 -6.788 1.00 0.00 C ATOM 976 O GLU A 75 4.586 8.659 -6.815 1.00 0.00 O ATOM 977 CB GLU A 75 3.016 5.981 -6.141 1.00 0.00 C ATOM 978 CG GLU A 75 3.037 4.847 -7.184 1.00 0.00 C ATOM 979 CD GLU A 75 3.143 5.301 -8.641 1.00 0.00 C ATOM 980 OE1 GLU A 75 2.472 6.288 -9.027 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.846 4.630 -9.433 1.00 0.00 O ATOM 0 H GLU A 75 3.600 7.954 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 75 5.055 5.636 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.514 5.622 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.420 6.806 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.877 4.189 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.129 4.254 -7.070 1.00 0.00 H new ATOM 986 N PRO A 76 6.032 7.109 -7.572 1.00 0.00 N ATOM 987 CA PRO A 76 6.876 8.073 -8.289 1.00 0.00 C ATOM 988 C PRO A 76 6.186 8.846 -9.424 1.00 0.00 C ATOM 989 O PRO A 76 5.316 8.297 -10.135 1.00 0.00 O ATOM 990 CB PRO A 76 8.117 7.297 -8.751 1.00 0.00 C ATOM 991 CG PRO A 76 7.701 5.828 -8.682 1.00 0.00 C ATOM 992 CD PRO A 76 6.672 5.801 -7.559 1.00 0.00 C ATOM 0 HA PRO A 76 7.141 8.884 -7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.407 7.580 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.973 7.497 -8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.274 5.487 -9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.550 5.180 -8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.942 5.007 -7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.148 5.609 -6.598 1.00 0.00 H new TER 997 PRO A 76