USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 33 GLN : amide:sc= 1.57 K(o=4.2,f=-7.2!) USER MOD Set 1.2: A 87 ASN : amide:sc= 2.64 K(o=4.2,f=-6.2!) USER MOD Set 2.1: A 79 TYR OH : rot -39:sc= 1.01 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.86 K(o=1.9,f=-0.5) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0.225 K(o=1.1,f=-16!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 159:sc= 0.894 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.806 (180deg=0.7) USER MOD Single : A 14 ASN : amide:sc= 1.02 K(o=1,f=0.36) USER MOD Single : A 15 CYS SG : rot 70:sc= -1.06 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.753 K(o=0.75,f=-3.5!) USER MOD Single : A 24 ASN : amide:sc= 2.67 K(o=2.7,f=-9.4!) USER MOD Single : A 25 ASN : amide:sc= 0.774 K(o=0.77,f=-0.11) USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.126 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.13) USER MOD Single : A 39 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.054) USER MOD Single : A 46 ASN : amide:sc= 0.097 K(o=0.097,f=-10!) USER MOD Single : A 52 TYR OH : rot 156:sc= 1.25 USER MOD Single : A 53 GLN : amide:sc= -0.736 X(o=-0.74,f=-0.84) USER MOD Single : A 56 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.0109 (180deg=-0.0109) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= 0.729! (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.049 -11.891 2.092 1.00 0.00 N ATOM 24 CA LEU A 4 4.994 -10.803 3.045 1.00 0.00 C ATOM 25 C LEU A 4 6.398 -10.253 3.291 1.00 0.00 C ATOM 26 O LEU A 4 6.550 -9.048 3.467 1.00 0.00 O ATOM 27 CB LEU A 4 4.365 -11.281 4.358 1.00 0.00 C ATOM 28 CG LEU A 4 3.006 -11.980 4.189 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.410 -12.209 5.580 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.010 -11.173 3.350 1.00 0.00 C ATOM 0 HA LEU A 4 4.374 -10.005 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.055 -11.967 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.240 -10.425 5.021 1.00 0.00 H new ATOM 0 HG LEU A 4 3.181 -12.916 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.444 -12.705 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.083 -12.835 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.278 -11.250 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.072 -11.723 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.827 -10.211 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.421 -11.010 2.354 1.00 0.00 H new ATOM 31 N ALA A 5 7.427 -11.106 3.317 1.00 0.00 N ATOM 32 CA ALA A 5 8.801 -10.649 3.523 1.00 0.00 C ATOM 33 C ALA A 5 9.289 -9.897 2.283 1.00 0.00 C ATOM 34 O ALA A 5 9.821 -8.797 2.402 1.00 0.00 O ATOM 35 CB ALA A 5 9.715 -11.828 3.879 1.00 0.00 C ATOM 0 H ALA A 5 7.333 -12.115 3.198 1.00 0.00 H new ATOM 0 HA ALA A 5 8.830 -9.958 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.733 -11.467 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.359 -12.300 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.703 -12.555 3.067 1.00 0.00 H new ATOM 36 N LEU A 6 9.070 -10.459 1.093 1.00 0.00 N ATOM 37 CA LEU A 6 9.226 -9.786 -0.182 1.00 0.00 C ATOM 38 C LEU A 6 8.478 -8.454 -0.127 1.00 0.00 C ATOM 39 O LEU A 6 9.071 -7.392 -0.305 1.00 0.00 O ATOM 40 CB LEU A 6 8.677 -10.724 -1.270 1.00 0.00 C ATOM 41 CG LEU A 6 8.559 -10.075 -2.652 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.929 -9.710 -3.231 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.819 -11.019 -3.607 1.00 0.00 C ATOM 0 H LEU A 6 8.769 -11.429 0.995 1.00 0.00 H new ATOM 0 HA LEU A 6 10.269 -9.564 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.326 -11.596 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.694 -11.083 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 6 7.994 -9.150 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.799 -9.252 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.429 -9.006 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.535 -10.611 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.738 -10.553 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.371 -11.955 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.821 -11.222 -3.218 1.00 0.00 H new ATOM 44 N GLY A 7 7.173 -8.511 0.153 1.00 0.00 N ATOM 45 CA GLY A 7 6.339 -7.334 0.301 1.00 0.00 C ATOM 46 C GLY A 7 6.975 -6.298 1.224 1.00 0.00 C ATOM 47 O GLY A 7 7.036 -5.121 0.886 1.00 0.00 O ATOM 0 H GLY A 7 6.669 -9.388 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.163 -6.888 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.367 -7.626 0.698 1.00 0.00 H new ATOM 48 N LYS A 8 7.484 -6.721 2.381 1.00 0.00 N ATOM 49 CA LYS A 8 8.171 -5.840 3.295 1.00 0.00 C ATOM 50 C LYS A 8 9.400 -5.223 2.630 1.00 0.00 C ATOM 51 O LYS A 8 9.552 -4.010 2.632 1.00 0.00 O ATOM 52 CB LYS A 8 8.532 -6.585 4.583 1.00 0.00 C ATOM 53 CG LYS A 8 9.232 -5.587 5.499 1.00 0.00 C ATOM 54 CD LYS A 8 9.459 -6.145 6.905 1.00 0.00 C ATOM 55 CE LYS A 8 9.800 -5.054 7.938 1.00 0.00 C ATOM 56 NZ LYS A 8 10.416 -3.835 7.364 1.00 0.00 N ATOM 0 H LYS A 8 7.426 -7.688 2.702 1.00 0.00 H new ATOM 0 HA LYS A 8 7.504 -5.021 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.637 -6.984 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.183 -7.432 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.191 -5.308 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.635 -4.677 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.564 -6.676 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.269 -6.874 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.888 -4.772 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.479 -5.474 8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.597 -3.147 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.313 -4.084 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.770 -3.416 6.664 1.00 0.00 H new ATOM 57 N ALA A 9 10.296 -6.044 2.091 1.00 0.00 N ATOM 58 CA ALA A 9 11.497 -5.579 1.406 1.00 0.00 C ATOM 59 C ALA A 9 11.158 -4.492 0.379 1.00 0.00 C ATOM 60 O ALA A 9 11.805 -3.446 0.336 1.00 0.00 O ATOM 61 CB ALA A 9 12.223 -6.758 0.753 1.00 0.00 C ATOM 0 H ALA A 9 10.208 -7.060 2.118 1.00 0.00 H new ATOM 0 HA ALA A 9 12.166 -5.133 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.118 -6.398 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.506 -7.480 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.563 -7.236 0.030 1.00 0.00 H new ATOM 62 N VAL A 10 10.121 -4.721 -0.430 1.00 0.00 N ATOM 63 CA VAL A 10 9.617 -3.721 -1.351 1.00 0.00 C ATOM 64 C VAL A 10 9.176 -2.482 -0.569 1.00 0.00 C ATOM 65 O VAL A 10 9.645 -1.382 -0.860 1.00 0.00 O ATOM 66 CB VAL A 10 8.468 -4.319 -2.175 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.878 -3.284 -3.135 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.933 -5.516 -3.007 1.00 0.00 C ATOM 0 H VAL A 10 9.614 -5.605 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 10 10.400 -3.415 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 10 7.713 -4.640 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.067 -3.737 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.493 -2.438 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.653 -2.939 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.092 -5.912 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.719 -5.199 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.320 -6.291 -2.345 1.00 0.00 H new ATOM 69 N PHE A 11 8.279 -2.662 0.404 1.00 0.00 N ATOM 70 CA PHE A 11 7.706 -1.605 1.226 1.00 0.00 C ATOM 71 C PHE A 11 8.784 -0.666 1.758 1.00 0.00 C ATOM 72 O PHE A 11 8.795 0.530 1.457 1.00 0.00 O ATOM 73 CB PHE A 11 6.898 -2.218 2.378 1.00 0.00 C ATOM 74 CG PHE A 11 6.165 -1.194 3.211 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.980 -0.630 2.713 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.751 -0.682 4.385 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.424 0.494 3.342 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.155 0.403 5.049 1.00 0.00 C ATOM 79 CZ PHE A 11 4.996 0.997 4.521 1.00 0.00 C ATOM 0 H PHE A 11 7.921 -3.586 0.646 1.00 0.00 H new ATOM 0 HA PHE A 11 7.037 -1.011 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.177 -2.926 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.571 -2.784 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.498 -1.060 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.657 -1.123 4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.554 0.973 2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.587 0.780 5.964 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.545 1.841 5.022 1.00 0.00 H new ATOM 80 N ASP A 12 9.696 -1.243 2.534 1.00 0.00 N ATOM 81 CA ASP A 12 10.845 -0.611 3.142 1.00 0.00 C ATOM 82 C ASP A 12 11.592 0.273 2.138 1.00 0.00 C ATOM 83 O ASP A 12 12.036 1.362 2.495 1.00 0.00 O ATOM 84 CB ASP A 12 11.763 -1.717 3.685 1.00 0.00 C ATOM 85 CG ASP A 12 11.231 -2.495 4.885 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.047 -2.352 5.271 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.020 -3.269 5.474 1.00 0.00 O ATOM 0 H ASP A 12 9.641 -2.235 2.766 1.00 0.00 H new ATOM 0 HA ASP A 12 10.519 0.040 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.965 -2.423 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.717 -1.268 3.962 1.00 0.00 H new ATOM 88 N GLY A 13 11.753 -0.185 0.890 1.00 0.00 N ATOM 89 CA GLY A 13 12.519 0.538 -0.110 1.00 0.00 C ATOM 90 C GLY A 13 11.682 1.609 -0.806 1.00 0.00 C ATOM 91 O GLY A 13 12.162 2.710 -1.065 1.00 0.00 O ATOM 0 H GLY A 13 11.355 -1.063 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.384 1.004 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.900 -0.164 -0.852 1.00 0.00 H new ATOM 92 N ASN A 14 10.447 1.259 -1.174 1.00 0.00 N ATOM 93 CA ASN A 14 9.672 1.968 -2.186 1.00 0.00 C ATOM 94 C ASN A 14 8.585 2.843 -1.574 1.00 0.00 C ATOM 95 O ASN A 14 8.246 3.892 -2.122 1.00 0.00 O ATOM 96 CB ASN A 14 9.011 0.968 -3.144 1.00 0.00 C ATOM 97 CG ASN A 14 10.024 0.228 -4.009 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.288 0.623 -5.140 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.595 -0.851 -3.486 1.00 0.00 N ATOM 0 H ASN A 14 9.953 0.463 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 14 10.370 2.610 -2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.434 0.245 -2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.307 1.497 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.278 -1.380 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.351 -1.150 -2.542 1.00 0.00 H new ATOM 100 N CYS A 15 7.978 2.365 -0.489 1.00 0.00 N ATOM 101 CA CYS A 15 6.698 2.841 0.011 1.00 0.00 C ATOM 102 C CYS A 15 6.931 3.648 1.283 1.00 0.00 C ATOM 103 O CYS A 15 6.421 4.760 1.425 1.00 0.00 O ATOM 104 CB CYS A 15 5.797 1.663 0.283 1.00 0.00 C ATOM 105 SG CYS A 15 5.682 0.483 -1.100 1.00 0.00 S ATOM 0 H CYS A 15 8.377 1.617 0.078 1.00 0.00 H new ATOM 0 HA CYS A 15 6.217 3.480 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.160 1.137 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.798 2.030 0.518 1.00 0.00 H new ATOM 0 HG CYS A 15 6.813 -0.145 -1.230 1.00 0.00 H new ATOM 106 N ALA A 16 7.744 3.098 2.191 1.00 0.00 N ATOM 107 CA ALA A 16 8.118 3.710 3.460 1.00 0.00 C ATOM 108 C ALA A 16 8.563 5.166 3.291 1.00 0.00 C ATOM 109 O ALA A 16 8.312 5.990 4.170 1.00 0.00 O ATOM 110 CB ALA A 16 9.219 2.879 4.120 1.00 0.00 C ATOM 0 H ALA A 16 8.172 2.182 2.053 1.00 0.00 H new ATOM 0 HA ALA A 16 7.237 3.725 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.500 3.335 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.854 1.867 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.089 2.841 3.464 1.00 0.00 H new ATOM 111 N ALA A 17 9.189 5.480 2.151 1.00 0.00 N ATOM 112 CA ALA A 17 9.520 6.835 1.722 1.00 0.00 C ATOM 113 C ALA A 17 8.413 7.841 2.062 1.00 0.00 C ATOM 114 O ALA A 17 8.702 8.923 2.566 1.00 0.00 O ATOM 115 CB ALA A 17 9.788 6.833 0.214 1.00 0.00 C ATOM 0 H ALA A 17 9.487 4.770 1.482 1.00 0.00 H new ATOM 0 HA ALA A 17 10.412 7.151 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.036 7.843 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.621 6.165 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.898 6.489 -0.313 1.00 0.00 H new ATOM 116 N CYS A 18 7.157 7.481 1.776 1.00 0.00 N ATOM 117 CA CYS A 18 5.988 8.297 2.087 1.00 0.00 C ATOM 118 C CYS A 18 5.208 7.707 3.263 1.00 0.00 C ATOM 119 O CYS A 18 4.548 8.455 3.983 1.00 0.00 O ATOM 120 CB CYS A 18 5.104 8.423 0.873 1.00 0.00 C ATOM 121 SG CYS A 18 5.945 9.362 -0.433 1.00 0.00 S ATOM 0 H CYS A 18 6.925 6.601 1.315 1.00 0.00 H new ATOM 0 HA CYS A 18 6.329 9.291 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.840 7.432 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.173 8.920 1.144 1.00 0.00 H new ATOM 0 HG CYS A 18 5.166 9.456 -1.470 1.00 0.00 H new ATOM 122 N HIS A 19 5.254 6.381 3.447 1.00 0.00 N ATOM 123 CA HIS A 19 4.396 5.659 4.380 1.00 0.00 C ATOM 124 C HIS A 19 5.143 5.036 5.560 1.00 0.00 C ATOM 125 O HIS A 19 4.687 4.030 6.101 1.00 0.00 O ATOM 126 CB HIS A 19 3.631 4.587 3.603 1.00 0.00 C ATOM 127 CG HIS A 19 2.686 5.161 2.589 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.534 5.850 2.885 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.699 4.920 1.244 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.854 6.003 1.737 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.522 5.450 0.711 1.00 0.00 N ATOM 0 H HIS A 19 5.900 5.775 2.941 1.00 0.00 H new ATOM 0 HA HIS A 19 3.715 6.384 4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.343 3.934 3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.071 3.968 4.304 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.249 6.183 3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.477 4.412 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.100 6.502 1.650 1.00 0.00 H new ATOM 132 N ALA A 20 6.269 5.607 5.994 1.00 0.00 N ATOM 133 CA ALA A 20 6.973 5.161 7.195 1.00 0.00 C ATOM 134 C ALA A 20 5.986 4.860 8.336 1.00 0.00 C ATOM 135 O ALA A 20 5.073 5.644 8.592 1.00 0.00 O ATOM 136 CB ALA A 20 7.994 6.219 7.618 1.00 0.00 C ATOM 0 H ALA A 20 6.717 6.392 5.521 1.00 0.00 H new ATOM 0 HA ALA A 20 7.500 4.235 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.517 5.883 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.714 6.372 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.480 7.157 7.828 1.00 0.00 H new ATOM 137 N GLY A 21 6.125 3.690 8.969 1.00 0.00 N ATOM 138 CA GLY A 21 5.221 3.221 10.017 1.00 0.00 C ATOM 139 C GLY A 21 3.765 3.098 9.549 1.00 0.00 C ATOM 140 O GLY A 21 2.840 3.231 10.347 1.00 0.00 O ATOM 0 H GLY A 21 6.880 3.036 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.564 2.250 10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.267 3.908 10.862 1.00 0.00 H new ATOM 141 N GLY A 22 3.547 2.863 8.253 1.00 0.00 N ATOM 142 CA GLY A 22 2.218 2.877 7.667 1.00 0.00 C ATOM 143 C GLY A 22 1.553 4.239 7.829 1.00 0.00 C ATOM 144 O GLY A 22 0.331 4.306 7.966 1.00 0.00 O ATOM 0 H GLY A 22 4.291 2.658 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.283 2.626 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.602 2.111 8.139 1.00 0.00 H new ATOM 145 N GLY A 23 2.339 5.318 7.823 1.00 0.00 N ATOM 146 CA GLY A 23 1.827 6.676 7.904 1.00 0.00 C ATOM 147 C GLY A 23 1.487 7.194 6.508 1.00 0.00 C ATOM 148 O GLY A 23 1.243 6.414 5.586 1.00 0.00 O ATOM 0 H GLY A 23 3.356 5.267 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.939 6.701 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.568 7.325 8.370 1.00 0.00 H new ATOM 149 N ASN A 24 1.489 8.517 6.341 1.00 0.00 N ATOM 150 CA ASN A 24 1.471 9.191 5.061 1.00 0.00 C ATOM 151 C ASN A 24 2.182 10.533 5.228 1.00 0.00 C ATOM 152 O ASN A 24 1.801 11.310 6.098 1.00 0.00 O ATOM 153 CB ASN A 24 0.024 9.421 4.654 1.00 0.00 C ATOM 154 CG ASN A 24 -0.060 9.760 3.177 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.593 10.677 2.682 1.00 0.00 O ATOM 156 ND2 ASN A 24 -0.840 8.972 2.459 1.00 0.00 N ATOM 0 H ASN A 24 1.504 9.165 7.129 1.00 0.00 H new ATOM 0 HA ASN A 24 1.970 8.597 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.566 8.529 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.403 10.231 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.918 9.112 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.364 8.223 2.912 1.00 0.00 H new ATOM 157 N ASN A 25 3.215 10.810 4.431 1.00 0.00 N ATOM 158 CA ASN A 25 3.968 12.061 4.502 1.00 0.00 C ATOM 159 C ASN A 25 3.323 13.164 3.646 1.00 0.00 C ATOM 160 O ASN A 25 3.706 14.326 3.764 1.00 0.00 O ATOM 161 CB ASN A 25 5.427 11.797 4.092 1.00 0.00 C ATOM 162 CG ASN A 25 6.436 12.795 4.668 1.00 0.00 C ATOM 163 OD1 ASN A 25 7.343 12.407 5.397 1.00 0.00 O ATOM 164 ND2 ASN A 25 6.324 14.081 4.357 1.00 0.00 N ATOM 0 H ASN A 25 3.554 10.168 3.714 1.00 0.00 H new ATOM 0 HA ASN A 25 3.952 12.426 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.705 10.793 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.495 11.817 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.995 14.755 4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.567 14.395 3.750 1.00 0.00 H new ATOM 165 N VAL A 26 2.378 12.826 2.764 1.00 0.00 N ATOM 166 CA VAL A 26 1.814 13.759 1.791 1.00 0.00 C ATOM 167 C VAL A 26 0.415 14.209 2.226 1.00 0.00 C ATOM 168 O VAL A 26 0.165 15.407 2.336 1.00 0.00 O ATOM 169 CB VAL A 26 1.849 13.117 0.393 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.248 14.044 -0.672 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.295 12.797 -0.011 1.00 0.00 C ATOM 0 H VAL A 26 1.981 11.888 2.707 1.00 0.00 H new ATOM 0 HA VAL A 26 2.415 14.667 1.742 1.00 0.00 H new ATOM 0 HB VAL A 26 1.256 12.204 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.291 13.556 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.210 14.262 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.816 14.974 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.304 12.343 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.880 13.716 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.729 12.104 0.709 1.00 0.00 H new ATOM 172 N ILE A 27 -0.497 13.262 2.477 1.00 0.00 N ATOM 173 CA ILE A 27 -1.833 13.514 3.016 1.00 0.00 C ATOM 174 C ILE A 27 -1.891 12.836 4.395 1.00 0.00 C ATOM 175 O ILE A 27 -2.197 11.646 4.457 1.00 0.00 O ATOM 176 CB ILE A 27 -2.913 12.995 2.042 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.750 13.681 0.672 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.313 13.273 2.613 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.876 13.363 -0.316 1.00 0.00 C ATOM 0 H ILE A 27 -0.318 12.273 2.305 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.031 14.580 3.131 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.795 11.919 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.703 14.760 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.799 13.377 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.069 12.904 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.422 12.766 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.442 14.346 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.692 13.881 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.911 12.288 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.828 13.693 0.099 1.00 0.00 H new ATOM 180 N PRO A 28 -1.544 13.553 5.481 1.00 0.00 N ATOM 181 CA PRO A 28 -1.242 12.997 6.797 1.00 0.00 C ATOM 182 C PRO A 28 -2.164 11.882 7.288 1.00 0.00 C ATOM 183 O PRO A 28 -1.690 10.887 7.829 1.00 0.00 O ATOM 184 CB PRO A 28 -1.261 14.191 7.754 1.00 0.00 C ATOM 185 CG PRO A 28 -0.727 15.317 6.875 1.00 0.00 C ATOM 186 CD PRO A 28 -1.325 14.995 5.505 1.00 0.00 C ATOM 0 HA PRO A 28 -0.278 12.492 6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.265 14.403 8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.631 14.023 8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.045 16.296 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.363 15.326 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.261 15.533 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.650 15.299 4.705 1.00 0.00 H new ATOM 187 N ASP A 29 -3.475 12.068 7.140 1.00 0.00 N ATOM 188 CA ASP A 29 -4.513 11.189 7.651 1.00 0.00 C ATOM 189 C ASP A 29 -4.747 9.976 6.750 1.00 0.00 C ATOM 190 O ASP A 29 -5.262 8.961 7.220 1.00 0.00 O ATOM 191 CB ASP A 29 -5.804 12.004 7.812 1.00 0.00 C ATOM 192 CG ASP A 29 -6.257 12.627 6.496 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.418 13.341 5.899 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.422 12.383 6.119 1.00 0.00 O ATOM 0 H ASP A 29 -3.854 12.871 6.638 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.191 10.794 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.593 11.359 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.646 12.791 8.550 1.00 0.00 H new ATOM 195 N HIS A 30 -4.345 10.026 5.477 1.00 0.00 N ATOM 196 CA HIS A 30 -4.608 8.959 4.514 1.00 0.00 C ATOM 197 C HIS A 30 -3.547 7.854 4.669 1.00 0.00 C ATOM 198 O HIS A 30 -2.828 7.512 3.730 1.00 0.00 O ATOM 199 CB HIS A 30 -4.679 9.595 3.115 1.00 0.00 C ATOM 200 CG HIS A 30 -5.443 8.818 2.072 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.495 7.453 1.931 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.192 9.357 1.058 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.228 7.180 0.838 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.672 8.309 0.264 1.00 0.00 N ATOM 0 H HIS A 30 -3.826 10.812 5.086 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.564 8.464 4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.133 10.582 3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.661 9.745 2.754 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.056 6.768 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.379 10.409 0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.432 6.185 0.471 1.00 0.00 H new ATOM 205 N THR A 31 -3.416 7.336 5.893 1.00 0.00 N ATOM 206 CA THR A 31 -2.367 6.419 6.320 1.00 0.00 C ATOM 207 C THR A 31 -2.642 4.988 5.850 1.00 0.00 C ATOM 208 O THR A 31 -3.723 4.698 5.354 1.00 0.00 O ATOM 209 CB THR A 31 -2.295 6.475 7.852 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.543 6.112 8.404 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.925 7.867 8.364 1.00 0.00 C ATOM 0 H THR A 31 -4.070 7.557 6.644 1.00 0.00 H new ATOM 0 HA THR A 31 -1.417 6.718 5.876 1.00 0.00 H new ATOM 0 HB THR A 31 -1.516 5.777 8.160 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.602 6.443 9.324 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.887 7.856 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.950 8.152 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.674 8.587 8.035 1.00 0.00 H new ATOM 212 N LEU A 32 -1.718 4.056 6.098 1.00 0.00 N ATOM 213 CA LEU A 32 -1.945 2.637 5.828 1.00 0.00 C ATOM 214 C LEU A 32 -2.527 1.918 7.051 1.00 0.00 C ATOM 215 O LEU A 32 -2.385 0.699 7.175 1.00 0.00 O ATOM 216 CB LEU A 32 -0.640 1.965 5.383 1.00 0.00 C ATOM 217 CG LEU A 32 0.117 2.721 4.283 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.232 1.824 3.747 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.788 3.103 3.112 1.00 0.00 C ATOM 0 H LEU A 32 -0.799 4.263 6.489 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.675 2.563 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.013 1.857 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.866 0.960 5.027 1.00 0.00 H new ATOM 0 HG LEU A 32 0.510 3.637 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.778 2.350 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.915 1.569 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.799 0.911 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.205 3.636 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.212 2.201 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.593 3.745 3.469 1.00 0.00 H new ATOM 220 N GLN A 33 -3.167 2.650 7.970 1.00 0.00 N ATOM 221 CA GLN A 33 -3.829 2.030 9.104 1.00 0.00 C ATOM 222 C GLN A 33 -5.163 1.444 8.679 1.00 0.00 C ATOM 223 O GLN A 33 -5.739 1.824 7.664 1.00 0.00 O ATOM 224 CB GLN A 33 -4.088 3.024 10.231 1.00 0.00 C ATOM 225 CG GLN A 33 -2.840 3.764 10.685 1.00 0.00 C ATOM 226 CD GLN A 33 -1.650 2.873 11.032 1.00 0.00 C ATOM 227 OE1 GLN A 33 -1.713 2.108 11.989 1.00 0.00 O ATOM 228 NE2 GLN A 33 -0.553 2.966 10.284 1.00 0.00 N ATOM 0 H GLN A 33 -3.236 3.667 7.944 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.161 1.249 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.831 3.750 9.901 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.516 2.494 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.539 4.455 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.091 4.366 11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.528 3.610 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.262 2.393 10.501 1.00 0.00 H new ATOM 229 N LYS A 34 -5.692 0.570 9.523 1.00 0.00 N ATOM 230 CA LYS A 34 -6.937 -0.134 9.250 1.00 0.00 C ATOM 231 C LYS A 34 -8.066 0.874 9.050 1.00 0.00 C ATOM 232 O LYS A 34 -8.711 0.923 8.007 1.00 0.00 O ATOM 233 CB LYS A 34 -7.217 -1.092 10.405 1.00 0.00 C ATOM 234 CG LYS A 34 -8.305 -2.108 10.050 1.00 0.00 C ATOM 235 CD LYS A 34 -8.248 -3.235 11.083 1.00 0.00 C ATOM 236 CE LYS A 34 -9.246 -4.344 10.738 1.00 0.00 C ATOM 237 NZ LYS A 34 -9.006 -5.546 11.560 1.00 0.00 N ATOM 0 H LYS A 34 -5.269 0.328 10.419 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.860 -0.717 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.300 -1.619 10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.523 -0.523 11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.287 -1.634 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.147 -2.502 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.240 -3.647 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.468 -2.837 12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.263 -3.986 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.161 -4.599 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.627 -6.316 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.013 -5.839 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.209 -5.331 12.557 1.00 0.00 H new ATOM 238 N ALA A 35 -8.251 1.730 10.054 1.00 0.00 N ATOM 239 CA ALA A 35 -9.235 2.800 10.011 1.00 0.00 C ATOM 240 C ALA A 35 -9.108 3.652 8.743 1.00 0.00 C ATOM 241 O ALA A 35 -10.113 4.156 8.252 1.00 0.00 O ATOM 242 CB ALA A 35 -9.110 3.664 11.266 1.00 0.00 C ATOM 0 H ALA A 35 -7.717 1.697 10.923 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.226 2.346 9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.848 4.465 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.283 3.049 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.110 4.094 11.313 1.00 0.00 H new ATOM 243 N ALA A 36 -7.895 3.826 8.204 1.00 0.00 N ATOM 244 CA ALA A 36 -7.706 4.619 7.002 1.00 0.00 C ATOM 245 C ALA A 36 -8.044 3.791 5.760 1.00 0.00 C ATOM 246 O ALA A 36 -8.763 4.262 4.882 1.00 0.00 O ATOM 247 CB ALA A 36 -6.274 5.142 6.990 1.00 0.00 C ATOM 0 H ALA A 36 -7.038 3.426 8.586 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.382 5.474 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.113 5.741 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.104 5.758 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.580 4.302 6.995 1.00 0.00 H new ATOM 248 N ILE A 37 -7.589 2.535 5.724 1.00 0.00 N ATOM 249 CA ILE A 37 -7.776 1.637 4.592 1.00 0.00 C ATOM 250 C ILE A 37 -9.265 1.365 4.360 1.00 0.00 C ATOM 251 O ILE A 37 -9.748 1.408 3.232 1.00 0.00 O ATOM 252 CB ILE A 37 -6.920 0.361 4.790 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.183 -0.067 3.518 1.00 0.00 C ATOM 254 CG2 ILE A 37 -7.661 -0.855 5.348 1.00 0.00 C ATOM 255 CD1 ILE A 37 -4.715 0.335 3.669 1.00 0.00 C ATOM 0 H ILE A 37 -7.073 2.112 6.495 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.421 2.106 3.674 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.208 0.682 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.271 -1.143 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.622 0.412 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.968 -1.690 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.076 -0.611 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.469 -1.132 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.164 0.042 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.645 1.415 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.288 -0.165 4.539 1.00 0.00 H new ATOM 256 N GLU A 38 -10.011 1.103 5.433 1.00 0.00 N ATOM 257 CA GLU A 38 -11.424 0.783 5.358 1.00 0.00 C ATOM 258 C GLU A 38 -12.299 1.970 4.939 1.00 0.00 C ATOM 259 O GLU A 38 -13.473 1.791 4.620 1.00 0.00 O ATOM 260 CB GLU A 38 -11.835 0.216 6.715 1.00 0.00 C ATOM 261 CG GLU A 38 -11.167 -1.160 6.892 1.00 0.00 C ATOM 262 CD GLU A 38 -11.536 -1.884 8.183 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.403 -1.361 8.914 1.00 0.00 O ATOM 264 OE2 GLU A 38 -10.915 -2.944 8.431 1.00 0.00 O ATOM 0 H GLU A 38 -9.642 1.109 6.384 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.582 0.047 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.531 0.891 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.919 0.121 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.438 -1.792 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.085 -1.031 6.860 1.00 0.00 H new ATOM 265 N GLN A 39 -11.768 3.188 5.002 1.00 0.00 N ATOM 266 CA GLN A 39 -12.445 4.415 4.622 1.00 0.00 C ATOM 267 C GLN A 39 -11.955 4.985 3.289 1.00 0.00 C ATOM 268 O GLN A 39 -12.748 5.146 2.363 1.00 0.00 O ATOM 269 CB GLN A 39 -12.268 5.412 5.764 1.00 0.00 C ATOM 270 CG GLN A 39 -12.852 4.882 7.080 1.00 0.00 C ATOM 271 CD GLN A 39 -14.365 4.696 7.057 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.104 5.527 7.576 1.00 0.00 O ATOM 273 NE2 GLN A 39 -14.854 3.600 6.479 1.00 0.00 N ATOM 0 H GLN A 39 -10.817 3.349 5.333 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.502 4.203 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.208 5.627 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.754 6.353 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.382 3.927 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.593 5.571 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.221 2.922 6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.861 3.438 6.462 1.00 0.00 H new ATOM 274 N PHE A 40 -10.683 5.375 3.203 1.00 0.00 N ATOM 275 CA PHE A 40 -10.215 6.265 2.146 1.00 0.00 C ATOM 276 C PHE A 40 -9.943 5.552 0.820 1.00 0.00 C ATOM 277 O PHE A 40 -10.020 6.190 -0.230 1.00 0.00 O ATOM 278 CB PHE A 40 -8.975 7.028 2.610 1.00 0.00 C ATOM 279 CG PHE A 40 -9.162 7.857 3.863 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.050 8.948 3.863 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.327 7.637 4.972 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.072 9.839 4.950 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.361 8.518 6.066 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.211 9.636 6.041 1.00 0.00 C ATOM 0 H PHE A 40 -9.956 5.085 3.858 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.027 6.965 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.171 6.313 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.649 7.685 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.716 9.101 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.658 6.789 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.751 10.679 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.734 8.336 6.926 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.203 10.339 6.861 1.00 0.00 H new ATOM 285 N LEU A 41 -9.585 4.265 0.847 1.00 0.00 N ATOM 286 CA LEU A 41 -9.362 3.482 -0.353 1.00 0.00 C ATOM 287 C LEU A 41 -10.539 3.600 -1.327 1.00 0.00 C ATOM 288 O LEU A 41 -11.677 3.277 -0.984 1.00 0.00 O ATOM 289 CB LEU A 41 -9.135 2.012 0.039 1.00 0.00 C ATOM 290 CG LEU A 41 -8.169 1.242 -0.873 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.452 1.410 -2.366 1.00 0.00 C ATOM 292 CD2 LEU A 41 -6.747 1.689 -0.558 1.00 0.00 C ATOM 0 H LEU A 41 -9.443 3.742 1.711 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.479 3.868 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.753 1.978 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.097 1.499 0.041 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.309 0.181 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.726 0.835 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.457 1.051 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.375 2.464 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.047 1.152 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.654 2.760 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.522 1.476 0.487 1.00 0.00 H new ATOM 293 N ASP A 42 -10.246 4.011 -2.563 1.00 0.00 N ATOM 294 CA ASP A 42 -11.164 3.979 -3.693 1.00 0.00 C ATOM 295 C ASP A 42 -11.515 2.525 -4.051 1.00 0.00 C ATOM 296 O ASP A 42 -11.010 1.967 -5.023 1.00 0.00 O ATOM 297 CB ASP A 42 -10.501 4.723 -4.861 1.00 0.00 C ATOM 298 CG ASP A 42 -11.340 4.667 -6.130 1.00 0.00 C ATOM 299 OD1 ASP A 42 -12.579 4.761 -5.998 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.716 4.559 -7.208 1.00 0.00 O ATOM 0 H ASP A 42 -9.330 4.387 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.104 4.474 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.338 5.764 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.521 4.289 -5.056 1.00 0.00 H new ATOM 301 N GLY A 43 -12.330 1.876 -3.213 1.00 0.00 N ATOM 302 CA GLY A 43 -12.715 0.493 -3.355 1.00 0.00 C ATOM 303 C GLY A 43 -13.275 -0.064 -2.048 1.00 0.00 C ATOM 304 O GLY A 43 -14.456 -0.388 -1.958 1.00 0.00 O ATOM 0 H GLY A 43 -12.746 2.324 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.463 0.401 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.852 -0.097 -3.664 1.00 0.00 H new ATOM 305 N GLY A 44 -12.408 -0.201 -1.044 1.00 0.00 N ATOM 306 CA GLY A 44 -12.686 -0.856 0.225 1.00 0.00 C ATOM 307 C GLY A 44 -11.354 -1.375 0.759 1.00 0.00 C ATOM 308 O GLY A 44 -10.315 -0.987 0.232 1.00 0.00 O ATOM 0 H GLY A 44 -11.455 0.158 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.138 -0.157 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.393 -1.675 0.090 1.00 0.00 H new ATOM 309 N PHE A 45 -11.371 -2.251 1.770 1.00 0.00 N ATOM 310 CA PHE A 45 -10.141 -2.854 2.275 1.00 0.00 C ATOM 311 C PHE A 45 -9.618 -3.895 1.262 1.00 0.00 C ATOM 312 O PHE A 45 -9.140 -3.536 0.193 1.00 0.00 O ATOM 313 CB PHE A 45 -10.373 -3.417 3.679 1.00 0.00 C ATOM 314 CG PHE A 45 -9.151 -3.932 4.424 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.852 -3.840 3.878 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.311 -4.393 5.744 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.735 -4.184 4.650 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.192 -4.782 6.498 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.902 -4.663 5.955 1.00 0.00 C ATOM 0 H PHE A 45 -12.219 -2.554 2.249 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.358 -2.102 2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.836 -2.638 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.093 -4.232 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.719 -3.503 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.298 -4.448 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.742 -4.079 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.323 -5.173 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.040 -4.941 6.543 1.00 0.00 H new ATOM 320 N ASN A 46 -9.730 -5.188 1.599 1.00 0.00 N ATOM 321 CA ASN A 46 -9.412 -6.340 0.752 1.00 0.00 C ATOM 322 C ASN A 46 -7.997 -6.284 0.163 1.00 0.00 C ATOM 323 O ASN A 46 -7.151 -5.554 0.669 1.00 0.00 O ATOM 324 CB ASN A 46 -10.515 -6.587 -0.290 1.00 0.00 C ATOM 325 CG ASN A 46 -10.642 -5.486 -1.336 1.00 0.00 C ATOM 326 OD1 ASN A 46 -9.787 -5.326 -2.197 1.00 0.00 O ATOM 327 ND2 ASN A 46 -11.701 -4.681 -1.253 1.00 0.00 N ATOM 0 H ASN A 46 -10.063 -5.470 2.521 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.396 -7.220 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.317 -7.532 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.469 -6.695 0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.811 -3.913 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.401 -4.833 -0.527 1.00 0.00 H new ATOM 328 N ILE A 47 -7.705 -7.102 -0.854 1.00 0.00 N ATOM 329 CA ILE A 47 -6.418 -7.118 -1.534 1.00 0.00 C ATOM 330 C ILE A 47 -6.577 -6.397 -2.874 1.00 0.00 C ATOM 331 O ILE A 47 -5.721 -5.620 -3.282 1.00 0.00 O ATOM 332 CB ILE A 47 -5.989 -8.586 -1.720 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.570 -9.239 -0.391 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.890 -8.731 -2.776 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.156 -8.861 0.064 1.00 0.00 C ATOM 0 H ILE A 47 -8.370 -7.779 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.647 -6.606 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.867 -9.121 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.280 -8.952 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.631 -10.322 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.617 -9.782 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.254 -8.358 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.015 -8.156 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.932 -9.359 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.435 -9.173 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.094 -7.781 0.200 1.00 0.00 H new ATOM 336 N GLU A 48 -7.673 -6.679 -3.565 1.00 0.00 N ATOM 337 CA GLU A 48 -7.975 -6.254 -4.920 1.00 0.00 C ATOM 338 C GLU A 48 -7.756 -4.747 -5.068 1.00 0.00 C ATOM 339 O GLU A 48 -6.919 -4.277 -5.839 1.00 0.00 O ATOM 340 CB GLU A 48 -9.417 -6.639 -5.269 1.00 0.00 C ATOM 341 CG GLU A 48 -9.839 -8.068 -4.893 1.00 0.00 C ATOM 342 CD GLU A 48 -10.248 -8.255 -3.432 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.337 -8.529 -2.615 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.447 -8.068 -3.139 1.00 0.00 O ATOM 0 H GLU A 48 -8.421 -7.247 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.302 -6.757 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.090 -5.940 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.558 -6.510 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.673 -8.364 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.014 -8.745 -5.114 1.00 0.00 H new ATOM 345 N ALA A 49 -8.531 -4.005 -4.282 1.00 0.00 N ATOM 346 CA ALA A 49 -8.497 -2.556 -4.186 1.00 0.00 C ATOM 347 C ALA A 49 -7.084 -2.054 -3.875 1.00 0.00 C ATOM 348 O ALA A 49 -6.611 -1.098 -4.488 1.00 0.00 O ATOM 349 CB ALA A 49 -9.499 -2.105 -3.121 1.00 0.00 C ATOM 0 H ALA A 49 -9.231 -4.421 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.779 -2.124 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.481 -1.018 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.500 -2.432 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.231 -2.544 -2.160 1.00 0.00 H new ATOM 350 N ILE A 50 -6.391 -2.698 -2.930 1.00 0.00 N ATOM 351 CA ILE A 50 -5.030 -2.336 -2.585 1.00 0.00 C ATOM 352 C ILE A 50 -4.155 -2.442 -3.829 1.00 0.00 C ATOM 353 O ILE A 50 -3.529 -1.460 -4.226 1.00 0.00 O ATOM 354 CB ILE A 50 -4.514 -3.230 -1.442 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.392 -3.154 -0.184 1.00 0.00 C ATOM 356 CG2 ILE A 50 -3.051 -2.913 -1.143 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.470 -1.772 0.462 1.00 0.00 C ATOM 0 H ILE A 50 -6.763 -3.479 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.996 -1.307 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.578 -4.265 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.401 -3.476 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.010 -3.862 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.698 -3.552 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.450 -3.093 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.958 -1.868 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.112 -1.817 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.471 -1.452 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.883 -1.059 -0.252 1.00 0.00 H new ATOM 358 N VAL A 51 -4.111 -3.623 -4.450 1.00 0.00 N ATOM 359 CA VAL A 51 -3.290 -3.862 -5.612 1.00 0.00 C ATOM 360 C VAL A 51 -3.593 -2.788 -6.666 1.00 0.00 C ATOM 361 O VAL A 51 -2.687 -2.088 -7.105 1.00 0.00 O ATOM 362 CB VAL A 51 -3.538 -5.291 -6.127 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.698 -5.507 -7.375 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.109 -6.377 -5.134 1.00 0.00 C ATOM 0 H VAL A 51 -4.650 -4.435 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.231 -3.790 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.611 -5.375 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.862 -6.516 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.985 -4.782 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.644 -5.378 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.311 -7.360 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.042 -6.283 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.668 -6.262 -4.205 1.00 0.00 H new ATOM 365 N TYR A 52 -4.877 -2.607 -7.000 1.00 0.00 N ATOM 366 CA TYR A 52 -5.351 -1.537 -7.875 1.00 0.00 C ATOM 367 C TYR A 52 -4.730 -0.181 -7.508 1.00 0.00 C ATOM 368 O TYR A 52 -4.259 0.546 -8.386 1.00 0.00 O ATOM 369 CB TYR A 52 -6.888 -1.494 -7.832 1.00 0.00 C ATOM 370 CG TYR A 52 -7.527 -0.165 -8.196 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.644 0.221 -9.544 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.028 0.680 -7.185 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.275 1.432 -9.878 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.667 1.884 -7.523 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.813 2.251 -8.871 1.00 0.00 C ATOM 376 OH TYR A 52 -9.479 3.389 -9.214 1.00 0.00 O ATOM 0 H TYR A 52 -5.625 -3.212 -6.662 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.032 -1.748 -8.896 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.272 -2.257 -8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.211 -1.767 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.249 -0.414 -10.323 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.920 0.401 -6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.347 1.734 -10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.047 2.529 -6.745 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.100 3.633 -8.496 1.00 0.00 H new ATOM 377 N GLN A 53 -4.728 0.169 -6.219 1.00 0.00 N ATOM 378 CA GLN A 53 -4.192 1.436 -5.748 1.00 0.00 C ATOM 379 C GLN A 53 -2.706 1.529 -6.097 1.00 0.00 C ATOM 380 O GLN A 53 -2.271 2.492 -6.725 1.00 0.00 O ATOM 381 CB GLN A 53 -4.440 1.571 -4.234 1.00 0.00 C ATOM 382 CG GLN A 53 -4.339 3.020 -3.742 1.00 0.00 C ATOM 383 CD GLN A 53 -5.697 3.722 -3.689 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.991 4.438 -2.737 1.00 0.00 O ATOM 385 NE2 GLN A 53 -6.552 3.522 -4.690 1.00 0.00 N ATOM 0 H GLN A 53 -5.100 -0.423 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.699 2.265 -6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.429 1.180 -3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.717 0.958 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.890 3.032 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.672 3.577 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.290 2.923 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.469 3.968 -4.674 1.00 0.00 H new ATOM 386 N ILE A 54 -1.935 0.518 -5.696 1.00 0.00 N ATOM 387 CA ILE A 54 -0.501 0.437 -5.953 1.00 0.00 C ATOM 388 C ILE A 54 -0.213 0.501 -7.457 1.00 0.00 C ATOM 389 O ILE A 54 0.640 1.278 -7.880 1.00 0.00 O ATOM 390 CB ILE A 54 0.081 -0.819 -5.270 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.393 -0.573 -3.782 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.397 -1.278 -5.912 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.857 -0.498 -2.911 1.00 0.00 C ATOM 0 H ILE A 54 -2.298 -0.280 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 54 0.002 1.300 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.690 -1.580 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.036 -1.373 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.953 0.357 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.764 -2.164 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.226 -1.515 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.137 -0.481 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.568 -0.323 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.491 0.320 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.406 -1.437 -2.981 1.00 0.00 H new ATOM 394 N GLU A 55 -0.914 -0.293 -8.269 1.00 0.00 N ATOM 395 CA GLU A 55 -0.790 -0.255 -9.706 1.00 0.00 C ATOM 396 C GLU A 55 -0.964 1.181 -10.198 1.00 0.00 C ATOM 397 O GLU A 55 -0.024 1.777 -10.725 1.00 0.00 O ATOM 398 CB GLU A 55 -1.878 -1.141 -10.305 1.00 0.00 C ATOM 399 CG GLU A 55 -1.663 -2.653 -10.223 1.00 0.00 C ATOM 400 CD GLU A 55 -2.901 -3.396 -10.726 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.891 -2.710 -11.074 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.840 -4.643 -10.743 1.00 0.00 O ATOM 0 H GLU A 55 -1.586 -0.982 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 55 0.194 -0.614 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.819 -0.905 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.995 -0.872 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.795 -2.936 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.452 -2.941 -9.193 1.00 0.00 H new ATOM 403 N ASN A 56 -2.176 1.717 -10.040 1.00 0.00 N ATOM 404 CA ASN A 56 -2.662 2.846 -10.819 1.00 0.00 C ATOM 405 C ASN A 56 -2.247 4.184 -10.215 1.00 0.00 C ATOM 406 O ASN A 56 -2.032 5.143 -10.950 1.00 0.00 O ATOM 407 CB ASN A 56 -4.186 2.739 -10.965 1.00 0.00 C ATOM 408 CG ASN A 56 -4.588 1.522 -11.796 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.744 1.616 -13.009 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.739 0.371 -11.149 1.00 0.00 N ATOM 0 H ASN A 56 -2.852 1.372 -9.358 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.204 2.809 -11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.643 2.673 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.571 3.644 -11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.993 -0.473 -11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.601 0.332 -10.139 1.00 0.00 H new ATOM 411 N GLY A 57 -2.134 4.247 -8.886 1.00 0.00 N ATOM 412 CA GLY A 57 -1.851 5.459 -8.134 1.00 0.00 C ATOM 413 C GLY A 57 -3.033 6.422 -8.127 1.00 0.00 C ATOM 414 O GLY A 57 -3.601 6.775 -9.157 1.00 0.00 O ATOM 0 H GLY A 57 -2.241 3.426 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.593 5.196 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.982 5.957 -8.564 1.00 0.00 H new ATOM 415 N LYS A 58 -3.413 6.843 -6.927 1.00 0.00 N ATOM 416 CA LYS A 58 -4.474 7.790 -6.675 1.00 0.00 C ATOM 417 C LYS A 58 -3.887 9.194 -6.525 1.00 0.00 C ATOM 418 O LYS A 58 -2.737 9.316 -6.127 1.00 0.00 O ATOM 419 CB LYS A 58 -5.078 7.306 -5.378 1.00 0.00 C ATOM 420 CG LYS A 58 -6.320 8.074 -4.937 1.00 0.00 C ATOM 421 CD LYS A 58 -6.879 7.153 -3.865 1.00 0.00 C ATOM 422 CE LYS A 58 -8.102 7.709 -3.120 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.750 8.778 -2.165 1.00 0.00 N ATOM 0 H LYS A 58 -2.966 6.515 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.210 7.849 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.335 6.252 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.325 7.374 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.074 9.060 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.023 8.224 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.151 6.203 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.093 6.942 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.818 8.096 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.596 6.898 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.593 9.351 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.397 8.354 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.012 9.383 -2.578 1.00 0.00 H new ATOM 424 N GLY A 59 -4.679 10.237 -6.795 1.00 0.00 N ATOM 425 CA GLY A 59 -4.373 11.638 -6.503 1.00 0.00 C ATOM 426 C GLY A 59 -2.881 11.995 -6.475 1.00 0.00 C ATOM 427 O GLY A 59 -2.281 12.226 -7.522 1.00 0.00 O ATOM 0 H GLY A 59 -5.589 10.121 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.864 12.262 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.808 11.893 -5.537 1.00 0.00 H new ATOM 428 N ALA A 60 -2.300 12.067 -5.275 1.00 0.00 N ATOM 429 CA ALA A 60 -0.923 12.498 -5.042 1.00 0.00 C ATOM 430 C ALA A 60 0.022 11.323 -4.746 1.00 0.00 C ATOM 431 O ALA A 60 1.013 11.492 -4.035 1.00 0.00 O ATOM 432 CB ALA A 60 -0.921 13.527 -3.906 1.00 0.00 C ATOM 0 H ALA A 60 -2.790 11.820 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.539 12.955 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.100 13.860 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.535 14.382 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.326 13.072 -3.002 1.00 0.00 H new ATOM 433 N MET A 61 -0.261 10.140 -5.296 1.00 0.00 N ATOM 434 CA MET A 61 0.527 8.926 -5.141 1.00 0.00 C ATOM 435 C MET A 61 0.993 8.430 -6.515 1.00 0.00 C ATOM 436 O MET A 61 0.157 8.164 -7.376 1.00 0.00 O ATOM 437 CB MET A 61 -0.323 7.864 -4.443 1.00 0.00 C ATOM 438 CG MET A 61 0.312 6.474 -4.514 1.00 0.00 C ATOM 439 SD MET A 61 -0.222 5.323 -3.233 1.00 0.00 S ATOM 440 CE MET A 61 -0.014 3.722 -4.045 1.00 0.00 C ATOM 0 H MET A 61 -1.082 10.001 -5.886 1.00 0.00 H new ATOM 0 HA MET A 61 1.409 9.131 -4.534 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.465 8.144 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.311 7.833 -4.902 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.088 6.039 -5.488 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.395 6.583 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.309 2.926 -3.361 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.638 3.683 -4.938 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.031 3.590 -4.326 1.00 0.00 H new ATOM 441 N PRO A 62 2.309 8.262 -6.729 1.00 0.00 N ATOM 442 CA PRO A 62 2.849 7.617 -7.912 1.00 0.00 C ATOM 443 C PRO A 62 2.229 6.242 -8.167 1.00 0.00 C ATOM 444 O PRO A 62 2.088 5.437 -7.246 1.00 0.00 O ATOM 445 CB PRO A 62 4.352 7.478 -7.658 1.00 0.00 C ATOM 446 CG PRO A 62 4.651 8.647 -6.725 1.00 0.00 C ATOM 447 CD PRO A 62 3.387 8.727 -5.873 1.00 0.00 C ATOM 0 HA PRO A 62 2.626 8.211 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.597 6.521 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.925 7.543 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.538 8.464 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.827 9.571 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.475 8.106 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.206 9.747 -5.534 1.00 0.00 H new ATOM 448 N ALA A 63 1.927 5.965 -9.435 1.00 0.00 N ATOM 449 CA ALA A 63 1.574 4.638 -9.916 1.00 0.00 C ATOM 450 C ALA A 63 2.787 3.714 -9.797 1.00 0.00 C ATOM 451 O ALA A 63 3.927 4.191 -9.843 1.00 0.00 O ATOM 452 CB ALA A 63 1.152 4.768 -11.383 1.00 0.00 C ATOM 0 H ALA A 63 1.922 6.674 -10.168 1.00 0.00 H new ATOM 0 HA ALA A 63 0.759 4.217 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.881 3.787 -11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.295 5.437 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.980 5.173 -11.965 1.00 0.00 H new ATOM 453 N TRP A 64 2.565 2.403 -9.665 1.00 0.00 N ATOM 454 CA TRP A 64 3.634 1.413 -9.656 1.00 0.00 C ATOM 455 C TRP A 64 3.460 0.371 -10.757 1.00 0.00 C ATOM 456 O TRP A 64 4.330 -0.489 -10.922 1.00 0.00 O ATOM 457 CB TRP A 64 3.799 0.824 -8.258 1.00 0.00 C ATOM 458 CG TRP A 64 4.215 1.843 -7.244 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.412 2.667 -6.532 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.573 2.229 -6.911 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.188 3.504 -5.754 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.536 3.267 -5.939 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.837 1.817 -7.372 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.708 3.831 -5.413 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.017 2.378 -6.859 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.956 3.369 -5.863 1.00 0.00 C ATOM 0 H TRP A 64 1.633 2.002 -9.561 1.00 0.00 H new ATOM 0 HA TRP A 64 4.575 1.908 -9.896 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.858 0.371 -7.946 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.541 0.026 -8.290 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.333 2.670 -6.567 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.812 4.210 -5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.900 1.055 -8.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.651 4.612 -4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 8.976 2.047 -7.231 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.866 3.774 -5.445 1.00 0.00 H new ATOM 467 N ASP A 65 2.390 0.495 -11.554 1.00 0.00 N ATOM 468 CA ASP A 65 2.235 -0.272 -12.764 1.00 0.00 C ATOM 469 C ASP A 65 3.514 -0.180 -13.595 1.00 0.00 C ATOM 470 O ASP A 65 4.144 0.874 -13.685 1.00 0.00 O ATOM 471 CB ASP A 65 1.024 0.193 -13.575 1.00 0.00 C ATOM 472 CG ASP A 65 0.937 -0.581 -14.885 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.357 -1.760 -14.871 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.492 0.031 -15.879 1.00 0.00 O ATOM 0 H ASP A 65 1.617 1.133 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 65 2.057 -1.312 -12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.112 0.046 -12.996 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.103 1.261 -13.780 1.00 0.00 H new ATOM 475 N GLY A 66 3.924 -1.323 -14.124 1.00 0.00 N ATOM 476 CA GLY A 66 5.137 -1.512 -14.906 1.00 0.00 C ATOM 477 C GLY A 66 6.451 -1.168 -14.188 1.00 0.00 C ATOM 478 O GLY A 66 7.510 -1.335 -14.789 1.00 0.00 O ATOM 0 H GLY A 66 3.393 -2.187 -14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.182 -2.552 -15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.066 -0.902 -15.807 1.00 0.00 H new ATOM 479 N ARG A 67 6.425 -0.687 -12.938 1.00 0.00 N ATOM 480 CA ARG A 67 7.630 -0.340 -12.191 1.00 0.00 C ATOM 481 C ARG A 67 8.040 -1.506 -11.295 1.00 0.00 C ATOM 482 O ARG A 67 9.229 -1.792 -11.179 1.00 0.00 O ATOM 483 CB ARG A 67 7.413 0.941 -11.374 1.00 0.00 C ATOM 484 CG ARG A 67 7.212 2.158 -12.290 1.00 0.00 C ATOM 485 CD ARG A 67 6.804 3.402 -11.494 1.00 0.00 C ATOM 486 NE ARG A 67 7.843 3.829 -10.547 1.00 0.00 N ATOM 487 CZ ARG A 67 7.632 4.481 -9.389 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.396 4.757 -8.956 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.684 4.865 -8.657 1.00 0.00 N ATOM 0 H ARG A 67 5.561 -0.529 -12.419 1.00 0.00 H new ATOM 0 HA ARG A 67 8.439 -0.147 -12.895 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.543 0.821 -10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.271 1.110 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.134 2.360 -12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.446 1.933 -13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.589 4.217 -12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.883 3.195 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 67 8.810 3.612 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.587 4.472 -9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.263 5.253 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.630 4.663 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.540 5.360 -7.777 1.00 0.00 H new ATOM 490 N LEU A 68 7.061 -2.157 -10.659 1.00 0.00 N ATOM 491 CA LEU A 68 7.270 -3.365 -9.865 1.00 0.00 C ATOM 492 C LEU A 68 6.771 -4.580 -10.663 1.00 0.00 C ATOM 493 O LEU A 68 5.933 -4.423 -11.552 1.00 0.00 O ATOM 494 CB LEU A 68 6.522 -3.226 -8.529 1.00 0.00 C ATOM 495 CG LEU A 68 6.944 -2.024 -7.670 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.025 -1.928 -6.446 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.395 -2.084 -7.184 1.00 0.00 C ATOM 0 H LEU A 68 6.088 -1.853 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 68 8.329 -3.506 -9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.454 -3.150 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.671 -4.137 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 68 6.859 -1.148 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.322 -1.076 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.994 -1.797 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.105 -2.842 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.615 -1.200 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.539 -2.978 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.065 -2.116 -8.043 1.00 0.00 H new ATOM 498 N ASP A 69 7.276 -5.782 -10.358 1.00 0.00 N ATOM 499 CA ASP A 69 6.798 -7.038 -10.948 1.00 0.00 C ATOM 500 C ASP A 69 5.416 -7.390 -10.400 1.00 0.00 C ATOM 501 O ASP A 69 4.952 -6.825 -9.416 1.00 0.00 O ATOM 502 CB ASP A 69 7.797 -8.171 -10.663 1.00 0.00 C ATOM 503 CG ASP A 69 7.512 -9.507 -11.330 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.633 -10.218 -10.791 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.138 -9.777 -12.375 1.00 0.00 O ATOM 0 H ASP A 69 8.035 -5.911 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 69 6.717 -6.911 -12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.788 -7.839 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.836 -8.329 -9.585 1.00 0.00 H new ATOM 506 N GLU A 70 4.783 -8.380 -11.013 1.00 0.00 N ATOM 507 CA GLU A 70 3.503 -8.921 -10.588 1.00 0.00 C ATOM 508 C GLU A 70 3.610 -9.448 -9.158 1.00 0.00 C ATOM 509 O GLU A 70 2.793 -9.103 -8.302 1.00 0.00 O ATOM 510 CB GLU A 70 3.059 -10.051 -11.531 1.00 0.00 C ATOM 511 CG GLU A 70 2.507 -9.526 -12.864 1.00 0.00 C ATOM 512 CD GLU A 70 2.009 -10.657 -13.759 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.386 -11.591 -13.208 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.246 -10.563 -14.982 1.00 0.00 O ATOM 0 H GLU A 70 5.157 -8.841 -11.842 1.00 0.00 H new ATOM 0 HA GLU A 70 2.759 -8.125 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.905 -10.709 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.295 -10.652 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.691 -8.830 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.285 -8.967 -13.384 1.00 0.00 H new ATOM 515 N ASP A 71 4.604 -10.302 -8.895 1.00 0.00 N ATOM 516 CA ASP A 71 4.692 -10.961 -7.595 1.00 0.00 C ATOM 517 C ASP A 71 5.013 -9.928 -6.524 1.00 0.00 C ATOM 518 O ASP A 71 4.442 -9.914 -5.438 1.00 0.00 O ATOM 519 CB ASP A 71 5.747 -12.070 -7.609 1.00 0.00 C ATOM 520 CG ASP A 71 5.494 -13.036 -6.464 1.00 0.00 C ATOM 521 OD1 ASP A 71 4.428 -13.693 -6.472 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.349 -13.209 -5.570 1.00 0.00 O ATOM 0 H ASP A 71 5.344 -10.548 -9.553 1.00 0.00 H new ATOM 0 HA ASP A 71 3.731 -11.425 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.716 -12.602 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.743 -11.638 -7.519 1.00 0.00 H new ATOM 523 N GLU A 72 5.930 -9.033 -6.880 1.00 0.00 N ATOM 524 CA GLU A 72 6.344 -7.889 -6.107 1.00 0.00 C ATOM 525 C GLU A 72 5.128 -7.045 -5.692 1.00 0.00 C ATOM 526 O GLU A 72 4.829 -6.929 -4.502 1.00 0.00 O ATOM 527 CB GLU A 72 7.353 -7.154 -6.993 1.00 0.00 C ATOM 528 CG GLU A 72 8.121 -6.100 -6.240 1.00 0.00 C ATOM 529 CD GLU A 72 9.214 -5.468 -7.089 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.040 -5.475 -8.327 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.197 -4.990 -6.484 1.00 0.00 O ATOM 0 H GLU A 72 6.426 -9.100 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 72 6.814 -8.153 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.052 -7.875 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.828 -6.690 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.434 -5.325 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.566 -6.544 -5.350 1.00 0.00 H new ATOM 532 N ILE A 73 4.401 -6.500 -6.675 1.00 0.00 N ATOM 533 CA ILE A 73 3.126 -5.796 -6.495 1.00 0.00 C ATOM 534 C ILE A 73 2.226 -6.582 -5.535 1.00 0.00 C ATOM 535 O ILE A 73 1.766 -6.071 -4.511 1.00 0.00 O ATOM 536 CB ILE A 73 2.418 -5.616 -7.858 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.129 -4.632 -8.799 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.955 -5.198 -7.708 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.779 -3.154 -8.606 1.00 0.00 C ATOM 0 H ILE A 73 4.695 -6.539 -7.651 1.00 0.00 H new ATOM 0 HA ILE A 73 3.324 -4.812 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 73 2.463 -6.605 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.205 -4.751 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.897 -4.910 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.506 -5.086 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.414 -5.961 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.901 -4.249 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.338 -2.551 -9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.711 -3.009 -8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.039 -2.848 -7.593 1.00 0.00 H new ATOM 540 N ALA A 74 1.959 -7.841 -5.879 1.00 0.00 N ATOM 541 CA ALA A 74 1.090 -8.694 -5.082 1.00 0.00 C ATOM 542 C ALA A 74 1.601 -8.828 -3.644 1.00 0.00 C ATOM 543 O ALA A 74 0.806 -8.858 -2.705 1.00 0.00 O ATOM 544 CB ALA A 74 0.943 -10.060 -5.755 1.00 0.00 C ATOM 0 H ALA A 74 2.337 -8.292 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 74 0.106 -8.229 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.291 -10.694 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.510 -9.932 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.923 -10.529 -5.845 1.00 0.00 H new ATOM 545 N GLY A 75 2.922 -8.893 -3.459 1.00 0.00 N ATOM 546 CA GLY A 75 3.534 -9.124 -2.169 1.00 0.00 C ATOM 547 C GLY A 75 3.374 -7.873 -1.330 1.00 0.00 C ATOM 548 O GLY A 75 2.983 -7.946 -0.170 1.00 0.00 O ATOM 0 H GLY A 75 3.596 -8.784 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.065 -9.974 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.590 -9.367 -2.289 1.00 0.00 H new ATOM 549 N VAL A 76 3.654 -6.709 -1.916 1.00 0.00 N ATOM 550 CA VAL A 76 3.537 -5.455 -1.196 1.00 0.00 C ATOM 551 C VAL A 76 2.078 -5.197 -0.819 1.00 0.00 C ATOM 552 O VAL A 76 1.803 -4.820 0.320 1.00 0.00 O ATOM 553 CB VAL A 76 4.260 -4.325 -1.949 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.439 -3.589 -3.007 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.746 -3.255 -0.962 1.00 0.00 C ATOM 0 H VAL A 76 3.962 -6.615 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 76 4.059 -5.505 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 76 5.068 -4.845 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.052 -2.816 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.110 -4.296 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.569 -3.130 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.256 -2.461 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.892 -2.838 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.436 -3.705 -0.248 1.00 0.00 H new ATOM 556 N ALA A 77 1.131 -5.465 -1.730 1.00 0.00 N ATOM 557 CA ALA A 77 -0.280 -5.429 -1.375 1.00 0.00 C ATOM 558 C ALA A 77 -0.580 -6.367 -0.200 1.00 0.00 C ATOM 559 O ALA A 77 -1.114 -5.926 0.816 1.00 0.00 O ATOM 560 CB ALA A 77 -1.135 -5.770 -2.592 1.00 0.00 C ATOM 0 H ALA A 77 1.321 -5.705 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.531 -4.419 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.189 -5.740 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.947 -5.045 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.881 -6.769 -2.947 1.00 0.00 H new ATOM 561 N ALA A 78 -0.229 -7.651 -0.323 1.00 0.00 N ATOM 562 CA ALA A 78 -0.408 -8.635 0.741 1.00 0.00 C ATOM 563 C ALA A 78 0.199 -8.178 2.076 1.00 0.00 C ATOM 564 O ALA A 78 -0.412 -8.352 3.126 1.00 0.00 O ATOM 565 CB ALA A 78 0.168 -9.986 0.306 1.00 0.00 C ATOM 0 H ALA A 78 0.189 -8.036 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.479 -8.742 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.031 -10.714 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.348 -10.330 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.232 -9.877 0.094 1.00 0.00 H new ATOM 566 N TYR A 79 1.395 -7.592 2.052 1.00 0.00 N ATOM 567 CA TYR A 79 2.070 -7.106 3.247 1.00 0.00 C ATOM 568 C TYR A 79 1.291 -5.963 3.880 1.00 0.00 C ATOM 569 O TYR A 79 0.992 -5.993 5.070 1.00 0.00 O ATOM 570 CB TYR A 79 3.484 -6.643 2.883 1.00 0.00 C ATOM 571 CG TYR A 79 4.280 -6.112 4.059 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.553 -6.957 5.149 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.628 -4.749 4.129 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.120 -6.435 6.322 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.244 -4.239 5.285 1.00 0.00 C ATOM 576 CZ TYR A 79 5.463 -5.076 6.391 1.00 0.00 C ATOM 577 OH TYR A 79 5.921 -4.553 7.563 1.00 0.00 O ATOM 0 H TYR A 79 1.925 -7.441 1.193 1.00 0.00 H new ATOM 0 HA TYR A 79 2.129 -7.918 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.025 -7.478 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.416 -5.865 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.326 -8.011 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.422 -4.096 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.292 -7.079 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.549 -3.204 5.323 1.00 0.00 H new ATOM 0 HH TYR A 79 5.421 -4.940 8.312 1.00 0.00 H new ATOM 578 N VAL A 80 0.970 -4.942 3.088 1.00 0.00 N ATOM 579 CA VAL A 80 0.168 -3.823 3.533 1.00 0.00 C ATOM 580 C VAL A 80 -1.145 -4.335 4.139 1.00 0.00 C ATOM 581 O VAL A 80 -1.536 -3.908 5.227 1.00 0.00 O ATOM 582 CB VAL A 80 -0.019 -2.890 2.329 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.193 -1.943 2.520 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.261 -2.078 2.097 1.00 0.00 C ATOM 0 H VAL A 80 1.265 -4.875 2.114 1.00 0.00 H new ATOM 0 HA VAL A 80 0.651 -3.254 4.328 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.230 -3.513 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.289 -1.301 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.109 -2.520 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.024 -1.328 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.123 -1.417 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.480 -1.483 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.092 -2.756 1.901 1.00 0.00 H new ATOM 585 N TYR A 81 -1.807 -5.271 3.452 1.00 0.00 N ATOM 586 CA TYR A 81 -3.012 -5.915 3.942 1.00 0.00 C ATOM 587 C TYR A 81 -2.770 -6.530 5.314 1.00 0.00 C ATOM 588 O TYR A 81 -3.473 -6.202 6.263 1.00 0.00 O ATOM 589 CB TYR A 81 -3.487 -6.980 2.953 1.00 0.00 C ATOM 590 CG TYR A 81 -4.748 -7.701 3.385 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.995 -7.072 3.243 1.00 0.00 C ATOM 592 CD2 TYR A 81 -4.670 -8.968 3.993 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.162 -7.703 3.703 1.00 0.00 C ATOM 594 CE2 TYR A 81 -5.840 -9.608 4.438 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.085 -8.974 4.292 1.00 0.00 C ATOM 596 OH TYR A 81 -8.222 -9.589 4.725 1.00 0.00 O ATOM 0 H TYR A 81 -1.512 -5.600 2.533 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.792 -5.160 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.662 -6.510 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.692 -7.712 2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.057 -6.099 2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.711 -9.449 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.118 -7.210 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.782 -10.586 4.892 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.996 -10.463 5.107 1.00 0.00 H new ATOM 597 N ASP A 82 -1.785 -7.421 5.414 1.00 0.00 N ATOM 598 CA ASP A 82 -1.432 -8.087 6.663 1.00 0.00 C ATOM 599 C ASP A 82 -1.208 -7.074 7.793 1.00 0.00 C ATOM 600 O ASP A 82 -1.754 -7.212 8.896 1.00 0.00 O ATOM 601 CB ASP A 82 -0.176 -8.950 6.481 1.00 0.00 C ATOM 602 CG ASP A 82 0.213 -9.521 7.832 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.605 -10.245 8.443 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.212 -9.032 8.402 1.00 0.00 O ATOM 0 H ASP A 82 -1.206 -7.702 4.623 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.268 -8.729 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.368 -9.754 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.639 -8.352 6.073 1.00 0.00 H new ATOM 605 N GLN A 83 -0.368 -6.070 7.533 1.00 0.00 N ATOM 606 CA GLN A 83 -0.066 -5.013 8.477 1.00 0.00 C ATOM 607 C GLN A 83 -1.360 -4.365 8.956 1.00 0.00 C ATOM 608 O GLN A 83 -1.636 -4.373 10.154 1.00 0.00 O ATOM 609 CB GLN A 83 0.836 -3.965 7.828 1.00 0.00 C ATOM 610 CG GLN A 83 2.294 -4.390 7.684 1.00 0.00 C ATOM 611 CD GLN A 83 3.044 -4.563 9.003 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.879 -5.455 9.137 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.775 -3.714 9.987 1.00 0.00 N ATOM 0 H GLN A 83 0.125 -5.975 6.645 1.00 0.00 H new ATOM 0 HA GLN A 83 0.458 -5.441 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.441 -3.725 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.794 -3.050 8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.331 -5.331 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.816 -3.648 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.078 -2.982 9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.265 -3.794 10.878 1.00 0.00 H new ATOM 614 N ALA A 84 -2.139 -3.813 8.024 1.00 0.00 N ATOM 615 CA ALA A 84 -3.369 -3.094 8.322 1.00 0.00 C ATOM 616 C ALA A 84 -4.376 -3.992 9.044 1.00 0.00 C ATOM 617 O ALA A 84 -4.986 -3.578 10.022 1.00 0.00 O ATOM 618 CB ALA A 84 -3.953 -2.522 7.029 1.00 0.00 C ATOM 0 H ALA A 84 -1.926 -3.856 7.027 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.142 -2.269 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.874 -1.984 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.234 -1.839 6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.167 -3.335 6.336 1.00 0.00 H new ATOM 619 N ALA A 85 -4.545 -5.235 8.595 1.00 0.00 N ATOM 620 CA ALA A 85 -5.542 -6.170 9.102 1.00 0.00 C ATOM 621 C ALA A 85 -5.395 -6.372 10.607 1.00 0.00 C ATOM 622 O ALA A 85 -6.380 -6.249 11.343 1.00 0.00 O ATOM 623 CB ALA A 85 -5.444 -7.503 8.352 1.00 0.00 C ATOM 0 H ALA A 85 -3.974 -5.628 7.847 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.531 -5.747 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.193 -8.194 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.619 -7.336 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.450 -7.928 8.494 1.00 0.00 H new ATOM 624 N GLY A 86 -4.165 -6.652 11.050 1.00 0.00 N ATOM 625 CA GLY A 86 -3.821 -6.736 12.466 1.00 0.00 C ATOM 626 C GLY A 86 -3.485 -5.365 13.068 1.00 0.00 C ATOM 627 O GLY A 86 -3.156 -5.282 14.246 1.00 0.00 O ATOM 0 H GLY A 86 -3.376 -6.828 10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.654 -7.176 13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.969 -7.404 12.591 1.00 0.00 H new ATOM 628 N ASN A 87 -3.536 -4.307 12.251 1.00 0.00 N ATOM 629 CA ASN A 87 -3.009 -2.972 12.497 1.00 0.00 C ATOM 630 C ASN A 87 -1.684 -3.015 13.258 1.00 0.00 C ATOM 631 O ASN A 87 -1.523 -2.344 14.275 1.00 0.00 O ATOM 632 CB ASN A 87 -4.073 -2.070 13.134 1.00 0.00 C ATOM 633 CG ASN A 87 -3.774 -0.606 12.823 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.475 0.020 12.031 1.00 0.00 O ATOM 635 ND2 ASN A 87 -2.713 -0.060 13.401 1.00 0.00 N ATOM 0 H ASN A 87 -3.980 -4.373 11.335 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.766 -2.513 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.060 -2.336 12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.093 -2.224 14.213 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.459 0.906 13.192 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.151 -0.606 14.054 1.00 0.00 H new ATOM 636 N LYS A 88 -0.729 -3.806 12.757 1.00 0.00 N ATOM 637 CA LYS A 88 0.510 -4.109 13.446 1.00 0.00 C ATOM 638 C LYS A 88 1.680 -3.311 12.858 1.00 0.00 C ATOM 639 O LYS A 88 2.793 -3.824 12.735 1.00 0.00 O ATOM 640 CB LYS A 88 0.705 -5.632 13.419 1.00 0.00 C ATOM 641 CG LYS A 88 0.894 -6.244 12.026 1.00 0.00 C ATOM 642 CD LYS A 88 1.282 -7.724 12.151 1.00 0.00 C ATOM 643 CE LYS A 88 0.087 -8.659 11.944 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.274 -8.738 10.516 1.00 0.00 N ATOM 0 H LYS A 88 -0.806 -4.257 11.845 1.00 0.00 H new ATOM 0 HA LYS A 88 0.468 -3.797 14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.574 -5.881 14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.159 -6.101 13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.026 -6.148 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.668 -5.701 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.054 -7.958 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.713 -7.902 13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.329 -9.654 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.766 -8.300 12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.651 -9.684 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.996 -8.021 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.570 -8.565 9.934 1.00 0.00 H new ATOM 645 N TRP A 89 1.408 -2.072 12.443 1.00 0.00 N ATOM 646 CA TRP A 89 2.438 -1.092 12.140 1.00 0.00 C ATOM 647 C TRP A 89 3.175 -0.695 13.420 1.00 0.00 C ATOM 648 O TRP A 89 2.547 -0.795 14.498 1.00 0.00 O ATOM 649 CB TRP A 89 1.777 0.123 11.492 1.00 0.00 C ATOM 650 CG TRP A 89 1.230 -0.134 10.124 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.073 -0.161 9.771 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.978 -0.441 8.914 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.172 -0.414 8.419 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.062 -0.577 7.832 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.343 -0.637 8.625 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.477 -0.857 6.521 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.762 -0.996 7.334 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.843 -1.059 6.271 1.00 0.00 C ATOM 659 OXT TRP A 89 4.351 -0.291 13.292 1.00 0.00 O ATOM 0 H TRP A 89 0.459 -1.724 12.309 1.00 0.00 H new ATOM 0 HA TRP A 89 3.169 -1.514 11.451 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.968 0.469 12.136 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.506 0.931 11.434 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.906 -0.009 10.441 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.056 -0.473 7.913 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.077 -0.509 9.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.757 -0.916 5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.802 -1.226 7.155 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.187 -1.262 5.268 1.00 0.00 H new