USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 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 53 GLN : amide:sc= 1.38 K(o=2.6,f=-12!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -151:sc= 1.19 (180deg=-0.297) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.919 K(o=2.8,f=-1.2) USER MOD Set 2.2: A 87 ASN : amide:sc= 1.84 K(o=2.8,f=-2.5) USER MOD Set 3.1: A 19 HIS : no HE2:sc= -0.522 K(o=-1.2,f=-6.1!) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.65 K(o=-1.2,f=-8.9!) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0.978 (180deg=-0.403) USER MOD Single : A 14 ASN : amide:sc= 1.06 X(o=1.1,f=0.85) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.804 X(o=-0.8,f=-0.82) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 0.772 (180deg=-3.04!) USER MOD Single : A 39 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.12) USER MOD Single : A 46 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 52 TYR OH : rot 170:sc= 1.24 USER MOD Single : A 56 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 169:sc= 1.14 USER MOD Single : A 83 GLN : amide:sc= 0.571 K(o=0.57,f=-0.19) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.528 -11.441 3.537 1.00 0.00 N ATOM 24 CA LEU A 4 5.654 -10.175 4.231 1.00 0.00 C ATOM 25 C LEU A 4 7.096 -9.693 4.172 1.00 0.00 C ATOM 26 O LEU A 4 7.338 -8.497 4.233 1.00 0.00 O ATOM 27 CB LEU A 4 5.173 -10.296 5.682 1.00 0.00 C ATOM 28 CG LEU A 4 3.738 -10.839 5.830 1.00 0.00 C ATOM 29 CD1 LEU A 4 3.206 -10.538 7.235 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.748 -10.242 4.828 1.00 0.00 C ATOM 0 HA LEU A 4 5.021 -9.439 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.855 -10.950 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.229 -9.315 6.154 1.00 0.00 H new ATOM 0 HG LEU A 4 3.810 -11.910 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.192 -10.925 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.847 -11.014 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.200 -9.460 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.760 -10.671 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.701 -9.161 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.077 -10.467 3.813 1.00 0.00 H new ATOM 31 N ALA A 5 8.052 -10.613 4.047 1.00 0.00 N ATOM 32 CA ALA A 5 9.456 -10.281 3.887 1.00 0.00 C ATOM 33 C ALA A 5 9.695 -9.598 2.539 1.00 0.00 C ATOM 34 O ALA A 5 10.276 -8.515 2.504 1.00 0.00 O ATOM 35 CB ALA A 5 10.281 -11.561 4.031 1.00 0.00 C ATOM 0 H ALA A 5 7.866 -11.616 4.055 1.00 0.00 H new ATOM 0 HA ALA A 5 9.766 -9.576 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.339 -11.327 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.113 -11.993 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.980 -12.276 3.265 1.00 0.00 H new ATOM 36 N LEU A 6 9.239 -10.196 1.435 1.00 0.00 N ATOM 37 CA LEU A 6 9.322 -9.596 0.116 1.00 0.00 C ATOM 38 C LEU A 6 8.577 -8.264 0.140 1.00 0.00 C ATOM 39 O LEU A 6 9.148 -7.220 -0.172 1.00 0.00 O ATOM 40 CB LEU A 6 8.717 -10.571 -0.904 1.00 0.00 C ATOM 41 CG LEU A 6 8.590 -9.980 -2.311 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.956 -9.712 -2.953 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.782 -10.931 -3.196 1.00 0.00 C ATOM 0 H LEU A 6 8.800 -11.117 1.440 1.00 0.00 H new ATOM 0 HA LEU A 6 10.356 -9.403 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.335 -11.467 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.731 -10.881 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 6 8.077 -9.022 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.814 -9.293 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.514 -9.005 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.512 -10.646 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.693 -10.509 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.289 -11.894 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.788 -11.068 -2.770 1.00 0.00 H new ATOM 44 N GLY A 7 7.299 -8.299 0.525 1.00 0.00 N ATOM 45 CA GLY A 7 6.475 -7.105 0.570 1.00 0.00 C ATOM 46 C GLY A 7 7.144 -6.014 1.406 1.00 0.00 C ATOM 47 O GLY A 7 7.206 -4.865 0.981 1.00 0.00 O ATOM 0 H GLY A 7 6.817 -9.151 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.302 -6.739 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.500 -7.347 0.993 1.00 0.00 H new ATOM 48 N LYS A 8 7.695 -6.358 2.572 1.00 0.00 N ATOM 49 CA LYS A 8 8.460 -5.427 3.373 1.00 0.00 C ATOM 50 C LYS A 8 9.642 -4.880 2.574 1.00 0.00 C ATOM 51 O LYS A 8 9.788 -3.672 2.470 1.00 0.00 O ATOM 52 CB LYS A 8 8.916 -6.075 4.685 1.00 0.00 C ATOM 53 CG LYS A 8 9.753 -5.057 5.454 1.00 0.00 C ATOM 54 CD LYS A 8 10.104 -5.520 6.870 1.00 0.00 C ATOM 55 CE LYS A 8 10.461 -4.348 7.800 1.00 0.00 C ATOM 56 NZ LYS A 8 11.158 -3.234 7.118 1.00 0.00 N ATOM 0 H LYS A 8 7.618 -7.290 2.979 1.00 0.00 H new ATOM 0 HA LYS A 8 7.817 -4.587 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.054 -6.383 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.501 -6.972 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.673 -4.861 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.208 -4.115 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.261 -6.069 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.944 -6.213 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.547 -3.967 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.091 -4.717 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.574 -2.598 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.911 -3.616 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.479 -2.705 6.535 1.00 0.00 H new ATOM 57 N ALA A 9 10.504 -5.744 2.042 1.00 0.00 N ATOM 58 CA ALA A 9 11.677 -5.327 1.278 1.00 0.00 C ATOM 59 C ALA A 9 11.303 -4.309 0.195 1.00 0.00 C ATOM 60 O ALA A 9 11.963 -3.281 0.045 1.00 0.00 O ATOM 61 CB ALA A 9 12.375 -6.549 0.675 1.00 0.00 C ATOM 0 H ALA A 9 10.408 -6.756 2.129 1.00 0.00 H new ATOM 0 HA ALA A 9 12.372 -4.834 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.248 -6.226 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.690 -7.220 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.685 -7.072 0.013 1.00 0.00 H new ATOM 62 N VAL A 10 10.223 -4.573 -0.543 1.00 0.00 N ATOM 63 CA VAL A 10 9.687 -3.629 -1.504 1.00 0.00 C ATOM 64 C VAL A 10 9.291 -2.339 -0.785 1.00 0.00 C ATOM 65 O VAL A 10 9.747 -1.258 -1.160 1.00 0.00 O ATOM 66 CB VAL A 10 8.494 -4.269 -2.229 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.859 -3.292 -3.219 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.920 -5.518 -3.005 1.00 0.00 C ATOM 0 H VAL A 10 9.702 -5.448 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 10 10.440 -3.376 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 10 7.772 -4.540 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.017 -3.774 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.508 -2.409 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.599 -2.995 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.053 -5.948 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.671 -5.247 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.339 -6.250 -2.315 1.00 0.00 H new ATOM 69 N PHE A 11 8.437 -2.456 0.234 1.00 0.00 N ATOM 70 CA PHE A 11 7.889 -1.349 1.004 1.00 0.00 C ATOM 71 C PHE A 11 8.980 -0.387 1.463 1.00 0.00 C ATOM 72 O PHE A 11 8.972 0.796 1.122 1.00 0.00 O ATOM 73 CB PHE A 11 7.085 -1.901 2.185 1.00 0.00 C ATOM 74 CG PHE A 11 6.298 -0.861 2.944 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.040 -0.454 2.465 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.831 -0.278 4.108 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.347 0.582 3.110 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.103 0.712 4.788 1.00 0.00 C ATOM 79 CZ PHE A 11 4.871 1.158 4.280 1.00 0.00 C ATOM 0 H PHE A 11 8.098 -3.363 0.554 1.00 0.00 H new ATOM 0 HA PHE A 11 7.221 -0.772 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.397 -2.662 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.769 -2.396 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.608 -0.938 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.797 -0.591 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.410 0.937 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.491 1.132 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.328 1.942 4.788 1.00 0.00 H new ATOM 80 N ASP A 12 9.934 -0.931 2.213 1.00 0.00 N ATOM 81 CA ASP A 12 11.134 -0.291 2.706 1.00 0.00 C ATOM 82 C ASP A 12 11.804 0.558 1.621 1.00 0.00 C ATOM 83 O ASP A 12 12.252 1.668 1.899 1.00 0.00 O ATOM 84 CB ASP A 12 12.095 -1.388 3.193 1.00 0.00 C ATOM 85 CG ASP A 12 11.666 -2.125 4.456 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.570 -1.860 5.003 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.451 -2.970 4.942 1.00 0.00 O ATOM 0 H ASP A 12 9.877 -1.905 2.510 1.00 0.00 H new ATOM 0 HA ASP A 12 10.874 0.381 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.221 -2.118 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.072 -0.938 3.370 1.00 0.00 H new ATOM 88 N GLY A 13 11.898 0.040 0.392 1.00 0.00 N ATOM 89 CA GLY A 13 12.588 0.724 -0.688 1.00 0.00 C ATOM 90 C GLY A 13 11.697 1.769 -1.354 1.00 0.00 C ATOM 91 O GLY A 13 12.156 2.856 -1.697 1.00 0.00 O ATOM 0 H GLY A 13 11.498 -0.860 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.486 1.205 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.913 -0.004 -1.431 1.00 0.00 H new ATOM 92 N ASN A 14 10.435 1.410 -1.604 1.00 0.00 N ATOM 93 CA ASN A 14 9.594 2.070 -2.596 1.00 0.00 C ATOM 94 C ASN A 14 8.525 2.959 -1.967 1.00 0.00 C ATOM 95 O ASN A 14 8.123 3.956 -2.565 1.00 0.00 O ATOM 96 CB ASN A 14 8.917 1.024 -3.490 1.00 0.00 C ATOM 97 CG ASN A 14 9.917 0.281 -4.369 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.162 0.671 -5.505 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.505 -0.793 -3.852 1.00 0.00 N ATOM 0 H ASN A 14 9.968 0.645 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 14 10.249 2.710 -3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.382 0.308 -2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.175 1.514 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.182 -1.319 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.279 -1.091 -2.903 1.00 0.00 H new ATOM 100 N CYS A 15 8.009 2.554 -0.807 1.00 0.00 N ATOM 101 CA CYS A 15 6.751 3.036 -0.250 1.00 0.00 C ATOM 102 C CYS A 15 7.030 3.861 1.007 1.00 0.00 C ATOM 103 O CYS A 15 6.481 4.950 1.186 1.00 0.00 O ATOM 104 CB CYS A 15 5.862 1.858 0.073 1.00 0.00 C ATOM 105 SG CYS A 15 5.747 0.602 -1.246 1.00 0.00 S ATOM 0 H CYS A 15 8.469 1.863 -0.215 1.00 0.00 H new ATOM 0 HA CYS A 15 6.243 3.670 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.232 1.379 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.860 2.226 0.293 1.00 0.00 H new ATOM 0 HG CYS A 15 4.963 -0.361 -0.861 1.00 0.00 H new ATOM 106 N ALA A 16 7.922 3.350 1.864 1.00 0.00 N ATOM 107 CA ALA A 16 8.373 3.973 3.105 1.00 0.00 C ATOM 108 C ALA A 16 8.716 5.454 2.924 1.00 0.00 C ATOM 109 O ALA A 16 8.469 6.254 3.824 1.00 0.00 O ATOM 110 CB ALA A 16 9.578 3.200 3.642 1.00 0.00 C ATOM 0 H ALA A 16 8.368 2.447 1.699 1.00 0.00 H new ATOM 0 HA ALA A 16 7.554 3.932 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.921 3.659 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.291 2.166 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.382 3.223 2.907 1.00 0.00 H new ATOM 111 N ALA A 17 9.249 5.819 1.753 1.00 0.00 N ATOM 112 CA ALA A 17 9.488 7.199 1.346 1.00 0.00 C ATOM 113 C ALA A 17 8.346 8.137 1.760 1.00 0.00 C ATOM 114 O ALA A 17 8.603 9.239 2.239 1.00 0.00 O ATOM 115 CB ALA A 17 9.687 7.247 -0.172 1.00 0.00 C ATOM 0 H ALA A 17 9.532 5.140 1.046 1.00 0.00 H new ATOM 0 HA ALA A 17 10.385 7.549 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.866 8.276 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.543 6.631 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.793 6.868 -0.668 1.00 0.00 H new ATOM 116 N CYS A 18 7.098 7.701 1.558 1.00 0.00 N ATOM 117 CA CYS A 18 5.899 8.471 1.876 1.00 0.00 C ATOM 118 C CYS A 18 5.149 7.857 3.064 1.00 0.00 C ATOM 119 O CYS A 18 4.497 8.590 3.812 1.00 0.00 O ATOM 120 CB CYS A 18 5.013 8.559 0.659 1.00 0.00 C ATOM 121 SG CYS A 18 5.863 9.448 -0.681 1.00 0.00 S ATOM 0 H CYS A 18 6.893 6.784 1.161 1.00 0.00 H new ATOM 0 HA CYS A 18 6.195 9.479 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.742 7.557 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.085 9.072 0.913 1.00 0.00 H new ATOM 0 HG CYS A 18 5.086 9.512 -1.721 1.00 0.00 H new ATOM 122 N HIS A 19 5.221 6.529 3.224 1.00 0.00 N ATOM 123 CA HIS A 19 4.423 5.751 4.170 1.00 0.00 C ATOM 124 C HIS A 19 5.232 5.124 5.308 1.00 0.00 C ATOM 125 O HIS A 19 4.704 4.236 5.968 1.00 0.00 O ATOM 126 CB HIS A 19 3.702 4.645 3.395 1.00 0.00 C ATOM 127 CG HIS A 19 2.729 5.161 2.376 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.516 5.741 2.663 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.774 4.933 1.025 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.842 5.837 1.513 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.559 5.367 0.489 1.00 0.00 N ATOM 0 H HIS A 19 5.859 5.951 2.678 1.00 0.00 H new ATOM 0 HA HIS A 19 3.727 6.443 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.443 4.022 2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.171 4.005 4.100 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.191 6.042 3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.597 4.498 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.155 6.243 1.423 1.00 0.00 H new ATOM 132 N ALA A 20 6.469 5.561 5.557 1.00 0.00 N ATOM 133 CA ALA A 20 7.386 5.111 6.610 1.00 0.00 C ATOM 134 C ALA A 20 6.959 3.870 7.418 1.00 0.00 C ATOM 135 O ALA A 20 7.481 2.786 7.173 1.00 0.00 O ATOM 136 CB ALA A 20 7.731 6.300 7.503 1.00 0.00 C ATOM 0 H ALA A 20 6.888 6.294 4.985 1.00 0.00 H new ATOM 0 HA ALA A 20 8.274 4.743 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.413 5.978 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.208 7.077 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.819 6.695 7.951 1.00 0.00 H new ATOM 137 N GLY A 21 6.040 4.018 8.383 1.00 0.00 N ATOM 138 CA GLY A 21 5.495 2.918 9.179 1.00 0.00 C ATOM 139 C GLY A 21 3.977 2.815 9.008 1.00 0.00 C ATOM 140 O GLY A 21 3.229 2.930 9.974 1.00 0.00 O ATOM 0 H GLY A 21 5.649 4.926 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.963 1.980 8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.736 3.071 10.231 1.00 0.00 H new ATOM 141 N GLY A 22 3.520 2.664 7.764 1.00 0.00 N ATOM 142 CA GLY A 22 2.117 2.817 7.391 1.00 0.00 C ATOM 143 C GLY A 22 1.673 4.283 7.465 1.00 0.00 C ATOM 144 O GLY A 22 0.477 4.585 7.459 1.00 0.00 O ATOM 0 H GLY A 22 4.125 2.428 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.965 2.440 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.496 2.214 8.053 1.00 0.00 H new ATOM 145 N GLY A 23 2.649 5.191 7.533 1.00 0.00 N ATOM 146 CA GLY A 23 2.498 6.563 7.968 1.00 0.00 C ATOM 147 C GLY A 23 2.566 7.517 6.796 1.00 0.00 C ATOM 148 O GLY A 23 3.630 8.056 6.501 1.00 0.00 O ATOM 0 H GLY A 23 3.609 4.969 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.544 6.682 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.280 6.808 8.686 1.00 0.00 H new ATOM 149 N ASN A 24 1.424 7.722 6.145 1.00 0.00 N ATOM 150 CA ASN A 24 1.213 8.761 5.157 1.00 0.00 C ATOM 151 C ASN A 24 1.805 10.088 5.622 1.00 0.00 C ATOM 152 O ASN A 24 1.294 10.705 6.551 1.00 0.00 O ATOM 153 CB ASN A 24 -0.291 8.907 4.946 1.00 0.00 C ATOM 154 CG ASN A 24 -0.751 8.062 3.784 1.00 0.00 C ATOM 155 OD1 ASN A 24 -0.577 6.850 3.823 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.291 8.695 2.751 1.00 0.00 N ATOM 0 H ASN A 24 0.596 7.147 6.300 1.00 0.00 H new ATOM 0 HA ASN A 24 1.709 8.488 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.821 8.609 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.538 9.953 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.588 8.169 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.410 9.708 2.779 1.00 0.00 H new ATOM 157 N ASN A 25 2.861 10.544 4.949 1.00 0.00 N ATOM 158 CA ASN A 25 3.423 11.870 5.163 1.00 0.00 C ATOM 159 C ASN A 25 2.652 12.911 4.347 1.00 0.00 C ATOM 160 O ASN A 25 2.547 14.062 4.758 1.00 0.00 O ATOM 161 CB ASN A 25 4.912 11.882 4.786 1.00 0.00 C ATOM 162 CG ASN A 25 5.795 11.222 5.843 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.570 11.897 6.513 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.704 9.908 6.013 1.00 0.00 N ATOM 0 H ASN A 25 3.350 9.999 4.238 1.00 0.00 H new ATOM 0 HA ASN A 25 3.332 12.124 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.045 11.367 3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.237 12.912 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.285 9.443 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.053 9.364 5.446 1.00 0.00 H new ATOM 165 N VAL A 26 2.153 12.521 3.170 1.00 0.00 N ATOM 166 CA VAL A 26 1.691 13.457 2.153 1.00 0.00 C ATOM 167 C VAL A 26 0.246 13.905 2.406 1.00 0.00 C ATOM 168 O VAL A 26 0.016 15.063 2.745 1.00 0.00 O ATOM 169 CB VAL A 26 1.886 12.827 0.766 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.476 13.806 -0.336 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.344 12.421 0.533 1.00 0.00 C ATOM 0 H VAL A 26 2.060 11.542 2.899 1.00 0.00 H new ATOM 0 HA VAL A 26 2.288 14.368 2.201 1.00 0.00 H new ATOM 0 HB VAL A 26 1.255 11.939 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.622 13.339 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.426 14.071 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.088 14.706 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.445 11.979 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.983 13.301 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.644 11.693 1.287 1.00 0.00 H new ATOM 172 N ILE A 27 -0.726 13.003 2.227 1.00 0.00 N ATOM 173 CA ILE A 27 -2.111 13.218 2.641 1.00 0.00 C ATOM 174 C ILE A 27 -2.219 12.508 3.993 1.00 0.00 C ATOM 175 O ILE A 27 -2.293 11.277 4.007 1.00 0.00 O ATOM 176 CB ILE A 27 -3.111 12.687 1.587 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.881 13.397 0.232 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.543 12.950 2.083 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.986 13.143 -0.798 1.00 0.00 C ATOM 0 H ILE A 27 -0.569 12.097 1.787 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.366 14.274 2.731 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.962 11.617 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.799 14.470 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.929 13.067 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.257 12.579 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.700 12.436 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.689 14.021 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.752 13.674 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.055 12.074 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.938 13.499 -0.405 1.00 0.00 H new ATOM 180 N PRO A 28 -2.102 13.241 5.114 1.00 0.00 N ATOM 181 CA PRO A 28 -1.592 12.705 6.368 1.00 0.00 C ATOM 182 C PRO A 28 -2.526 11.692 7.024 1.00 0.00 C ATOM 183 O PRO A 28 -2.063 10.765 7.679 1.00 0.00 O ATOM 184 CB PRO A 28 -1.350 13.920 7.273 1.00 0.00 C ATOM 185 CG PRO A 28 -2.309 14.974 6.722 1.00 0.00 C ATOM 186 CD PRO A 28 -2.284 14.680 5.224 1.00 0.00 C ATOM 0 HA PRO A 28 -0.677 12.141 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.563 13.691 8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.314 14.256 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.310 14.872 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.972 15.987 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.211 14.996 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.473 15.217 4.732 1.00 0.00 H new ATOM 187 N ASP A 29 -3.835 11.882 6.874 1.00 0.00 N ATOM 188 CA ASP A 29 -4.881 11.067 7.467 1.00 0.00 C ATOM 189 C ASP A 29 -5.140 9.790 6.662 1.00 0.00 C ATOM 190 O ASP A 29 -5.670 8.821 7.203 1.00 0.00 O ATOM 191 CB ASP A 29 -6.154 11.919 7.588 1.00 0.00 C ATOM 192 CG ASP A 29 -6.634 12.478 6.250 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.763 12.974 5.496 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.861 12.433 6.028 1.00 0.00 O ATOM 0 H ASP A 29 -4.208 12.645 6.309 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.560 10.741 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.947 11.314 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.966 12.746 8.273 1.00 0.00 H new ATOM 195 N HIS A 30 -4.720 9.738 5.395 1.00 0.00 N ATOM 196 CA HIS A 30 -4.944 8.601 4.502 1.00 0.00 C ATOM 197 C HIS A 30 -3.951 7.455 4.803 1.00 0.00 C ATOM 198 O HIS A 30 -3.425 6.828 3.889 1.00 0.00 O ATOM 199 CB HIS A 30 -4.884 9.122 3.045 1.00 0.00 C ATOM 200 CG HIS A 30 -6.191 9.098 2.284 1.00 0.00 C ATOM 201 ND1 HIS A 30 -6.459 8.335 1.170 1.00 0.00 N ATOM 202 CD2 HIS A 30 -7.205 10.014 2.394 1.00 0.00 C ATOM 203 CE1 HIS A 30 -7.581 8.806 0.603 1.00 0.00 C ATOM 204 NE2 HIS A 30 -8.083 9.823 1.321 1.00 0.00 N ATOM 0 H HIS A 30 -4.205 10.500 4.954 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.929 8.162 4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.513 10.147 3.060 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.154 8.527 2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.308 10.754 3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.019 8.420 -0.305 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.933 10.351 1.124 1.00 0.00 H new ATOM 205 N THR A 31 -3.668 7.180 6.085 1.00 0.00 N ATOM 206 CA THR A 31 -2.634 6.243 6.522 1.00 0.00 C ATOM 207 C THR A 31 -2.950 4.808 6.097 1.00 0.00 C ATOM 208 O THR A 31 -4.115 4.455 5.932 1.00 0.00 O ATOM 209 CB THR A 31 -2.499 6.316 8.052 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.770 6.277 8.662 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.862 7.621 8.506 1.00 0.00 C ATOM 0 H THR A 31 -4.166 7.616 6.861 1.00 0.00 H new ATOM 0 HA THR A 31 -1.695 6.527 6.047 1.00 0.00 H new ATOM 0 HB THR A 31 -1.880 5.466 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.667 6.323 9.636 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.786 7.630 9.593 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.866 7.710 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.477 8.459 8.178 1.00 0.00 H new ATOM 212 N LEU A 32 -1.941 3.927 6.048 1.00 0.00 N ATOM 213 CA LEU A 32 -2.144 2.517 5.708 1.00 0.00 C ATOM 214 C LEU A 32 -2.677 1.724 6.913 1.00 0.00 C ATOM 215 O LEU A 32 -2.255 0.596 7.169 1.00 0.00 O ATOM 216 CB LEU A 32 -0.836 1.898 5.192 1.00 0.00 C ATOM 217 CG LEU A 32 -0.126 2.697 4.085 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.047 1.876 3.545 1.00 0.00 C ATOM 219 CD2 LEU A 32 -1.050 3.001 2.906 1.00 0.00 C ATOM 0 H LEU A 32 -0.970 4.172 6.242 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.892 2.466 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.151 1.783 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.050 0.897 4.816 1.00 0.00 H new ATOM 0 HG LEU A 32 0.202 3.637 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.554 2.438 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.748 1.668 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.676 0.936 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.503 3.566 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.406 2.066 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.901 3.587 3.252 1.00 0.00 H new ATOM 220 N GLN A 33 -3.603 2.318 7.664 1.00 0.00 N ATOM 221 CA GLN A 33 -4.196 1.762 8.867 1.00 0.00 C ATOM 222 C GLN A 33 -5.534 1.161 8.459 1.00 0.00 C ATOM 223 O GLN A 33 -6.238 1.789 7.676 1.00 0.00 O ATOM 224 CB GLN A 33 -4.406 2.900 9.884 1.00 0.00 C ATOM 225 CG GLN A 33 -3.764 2.596 11.238 1.00 0.00 C ATOM 226 CD GLN A 33 -4.361 1.363 11.912 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.482 0.959 11.614 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.606 0.741 12.809 1.00 0.00 N ATOM 0 H GLN A 33 -3.973 3.241 7.436 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.562 1.002 9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.986 3.823 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.474 3.069 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.693 2.447 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.885 3.458 11.894 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.679 1.102 13.034 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.953 -0.098 13.273 1.00 0.00 H new ATOM 229 N LYS A 34 -5.906 -0.003 9.001 1.00 0.00 N ATOM 230 CA LYS A 34 -7.187 -0.645 8.735 1.00 0.00 C ATOM 231 C LYS A 34 -8.308 0.388 8.734 1.00 0.00 C ATOM 232 O LYS A 34 -8.974 0.584 7.726 1.00 0.00 O ATOM 233 CB LYS A 34 -7.444 -1.717 9.790 1.00 0.00 C ATOM 234 CG LYS A 34 -8.692 -2.532 9.431 1.00 0.00 C ATOM 235 CD LYS A 34 -8.912 -3.543 10.552 1.00 0.00 C ATOM 236 CE LYS A 34 -10.094 -4.502 10.338 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.339 -3.841 9.887 1.00 0.00 N ATOM 0 H LYS A 34 -5.315 -0.529 9.645 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.159 -1.113 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.580 -2.377 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.575 -1.251 10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.559 -1.880 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.557 -3.040 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.003 -4.132 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.068 -3.001 11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.808 -5.254 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.293 -5.029 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.145 -4.211 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.261 -2.815 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.487 -4.032 8.876 1.00 0.00 H new ATOM 238 N ALA A 35 -8.476 1.070 9.866 1.00 0.00 N ATOM 239 CA ALA A 35 -9.518 2.073 10.042 1.00 0.00 C ATOM 240 C ALA A 35 -9.505 3.101 8.904 1.00 0.00 C ATOM 241 O ALA A 35 -10.534 3.396 8.299 1.00 0.00 O ATOM 242 CB ALA A 35 -9.331 2.753 11.401 1.00 0.00 C ATOM 0 H ALA A 35 -7.888 0.939 10.689 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.491 1.583 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.107 3.506 11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.401 2.008 12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.352 3.230 11.437 1.00 0.00 H new ATOM 243 N ALA A 36 -8.321 3.639 8.605 1.00 0.00 N ATOM 244 CA ALA A 36 -8.151 4.698 7.624 1.00 0.00 C ATOM 245 C ALA A 36 -8.469 4.169 6.229 1.00 0.00 C ATOM 246 O ALA A 36 -9.148 4.832 5.453 1.00 0.00 O ATOM 247 CB ALA A 36 -6.725 5.242 7.704 1.00 0.00 C ATOM 0 H ALA A 36 -7.449 3.345 9.044 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.841 5.515 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.597 6.036 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.543 5.639 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.017 4.439 7.498 1.00 0.00 H new ATOM 248 N ILE A 37 -8.031 2.945 5.943 1.00 0.00 N ATOM 249 CA ILE A 37 -8.367 2.244 4.720 1.00 0.00 C ATOM 250 C ILE A 37 -9.891 2.108 4.615 1.00 0.00 C ATOM 251 O ILE A 37 -10.477 2.525 3.621 1.00 0.00 O ATOM 252 CB ILE A 37 -7.582 0.911 4.677 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.401 0.959 3.701 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.429 -0.308 4.329 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.194 0.176 4.231 1.00 0.00 C ATOM 0 H ILE A 37 -7.425 2.411 6.566 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.064 2.798 3.831 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.225 0.797 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.707 0.548 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.114 1.996 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.800 -1.198 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.217 -0.428 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.876 -0.171 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.378 0.234 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.871 0.604 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.474 -0.867 4.379 1.00 0.00 H new ATOM 256 N GLU A 38 -10.554 1.545 5.624 1.00 0.00 N ATOM 257 CA GLU A 38 -11.968 1.240 5.540 1.00 0.00 C ATOM 258 C GLU A 38 -12.814 2.494 5.291 1.00 0.00 C ATOM 259 O GLU A 38 -13.788 2.423 4.544 1.00 0.00 O ATOM 260 CB GLU A 38 -12.389 0.411 6.762 1.00 0.00 C ATOM 261 CG GLU A 38 -11.705 -0.961 6.645 1.00 0.00 C ATOM 262 CD GLU A 38 -11.986 -1.920 7.787 1.00 0.00 C ATOM 263 OE1 GLU A 38 -11.940 -1.511 8.969 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.088 -3.138 7.513 1.00 0.00 O ATOM 0 H GLU A 38 -10.124 1.292 6.513 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.158 0.621 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.093 0.910 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.473 0.298 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.021 -1.429 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.628 -0.808 6.576 1.00 0.00 H new ATOM 265 N GLN A 39 -12.435 3.646 5.857 1.00 0.00 N ATOM 266 CA GLN A 39 -13.029 4.912 5.469 1.00 0.00 C ATOM 267 C GLN A 39 -12.606 5.357 4.061 1.00 0.00 C ATOM 268 O GLN A 39 -13.460 5.615 3.215 1.00 0.00 O ATOM 269 CB GLN A 39 -12.675 5.981 6.509 1.00 0.00 C ATOM 270 CG GLN A 39 -13.082 5.615 7.943 1.00 0.00 C ATOM 271 CD GLN A 39 -14.477 5.012 8.052 1.00 0.00 C ATOM 272 OE1 GLN A 39 -14.658 3.939 8.618 1.00 0.00 O ATOM 273 NE2 GLN A 39 -15.482 5.687 7.506 1.00 0.00 N ATOM 0 H GLN A 39 -11.721 3.718 6.582 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.110 4.777 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.600 6.158 6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.160 6.917 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.358 4.907 8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.034 6.510 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.305 6.577 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.431 5.315 7.552 1.00 0.00 H new ATOM 274 N PHE A 40 -11.303 5.545 3.836 1.00 0.00 N ATOM 275 CA PHE A 40 -10.791 6.361 2.740 1.00 0.00 C ATOM 276 C PHE A 40 -10.540 5.582 1.447 1.00 0.00 C ATOM 277 O PHE A 40 -10.675 6.158 0.369 1.00 0.00 O ATOM 278 CB PHE A 40 -9.523 7.100 3.189 1.00 0.00 C ATOM 279 CG PHE A 40 -9.704 8.010 4.389 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.638 9.063 4.335 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.833 7.911 5.489 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.709 9.998 5.381 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.913 8.839 6.541 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.840 9.891 6.479 1.00 0.00 C ATOM 0 H PHE A 40 -10.572 5.131 4.415 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.574 7.079 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.755 6.363 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.151 7.694 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.301 9.152 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.100 7.119 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.432 10.799 5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.261 8.743 7.397 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.885 10.618 7.276 1.00 0.00 H new ATOM 285 N LEU A 41 -10.144 4.307 1.524 1.00 0.00 N ATOM 286 CA LEU A 41 -9.780 3.505 0.375 1.00 0.00 C ATOM 287 C LEU A 41 -10.856 3.515 -0.713 1.00 0.00 C ATOM 288 O LEU A 41 -11.878 2.835 -0.610 1.00 0.00 O ATOM 289 CB LEU A 41 -9.449 2.073 0.844 1.00 0.00 C ATOM 290 CG LEU A 41 -8.481 1.302 -0.057 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.853 1.316 -1.530 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.080 1.888 0.104 1.00 0.00 C ATOM 0 H LEU A 41 -10.070 3.804 2.408 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.896 3.944 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.025 2.125 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.378 1.508 0.920 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.528 0.261 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.116 0.747 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.837 0.866 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.873 2.344 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.383 1.345 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.090 2.940 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.765 1.798 1.144 1.00 0.00 H new ATOM 293 N ASP A 42 -10.551 4.223 -1.801 1.00 0.00 N ATOM 294 CA ASP A 42 -11.115 4.055 -3.131 1.00 0.00 C ATOM 295 C ASP A 42 -11.043 2.576 -3.548 1.00 0.00 C ATOM 296 O ASP A 42 -10.087 2.157 -4.207 1.00 0.00 O ATOM 297 CB ASP A 42 -10.291 4.965 -4.054 1.00 0.00 C ATOM 298 CG ASP A 42 -10.623 4.819 -5.528 1.00 0.00 C ATOM 299 OD1 ASP A 42 -11.758 4.407 -5.837 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.711 5.150 -6.322 1.00 0.00 O ATOM 0 H ASP A 42 -9.861 4.974 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.169 4.330 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.449 6.002 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.233 4.749 -3.908 1.00 0.00 H new ATOM 301 N GLY A 43 -12.010 1.778 -3.070 1.00 0.00 N ATOM 302 CA GLY A 43 -12.155 0.357 -3.290 1.00 0.00 C ATOM 303 C GLY A 43 -12.474 -0.470 -2.032 1.00 0.00 C ATOM 304 O GLY A 43 -12.861 -1.631 -2.159 1.00 0.00 O ATOM 0 H GLY A 43 -12.756 2.148 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.947 0.197 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.233 -0.022 -3.731 1.00 0.00 H new ATOM 305 N GLY A 44 -12.324 0.083 -0.822 1.00 0.00 N ATOM 306 CA GLY A 44 -12.623 -0.614 0.422 1.00 0.00 C ATOM 307 C GLY A 44 -11.456 -1.501 0.849 1.00 0.00 C ATOM 308 O GLY A 44 -10.458 -1.616 0.135 1.00 0.00 O ATOM 0 H GLY A 44 -11.988 1.036 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.838 0.112 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.519 -1.222 0.296 1.00 0.00 H new ATOM 309 N PHE A 45 -11.564 -2.123 2.030 1.00 0.00 N ATOM 310 CA PHE A 45 -10.498 -2.972 2.556 1.00 0.00 C ATOM 311 C PHE A 45 -10.439 -4.309 1.809 1.00 0.00 C ATOM 312 O PHE A 45 -10.762 -5.356 2.370 1.00 0.00 O ATOM 313 CB PHE A 45 -10.581 -3.175 4.070 1.00 0.00 C ATOM 314 CG PHE A 45 -9.427 -3.941 4.708 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.103 -3.766 4.256 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.664 -4.726 5.852 1.00 0.00 C ATOM 317 CE1 PHE A 45 -7.026 -4.256 5.009 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.586 -5.291 6.558 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.267 -5.013 6.162 1.00 0.00 C ATOM 0 H PHE A 45 -12.381 -2.051 2.636 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.563 -2.441 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.647 -2.196 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.508 -3.701 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.917 -3.252 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.676 -4.895 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.012 -4.050 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.772 -5.937 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.438 -5.383 6.747 1.00 0.00 H new ATOM 320 N ASN A 46 -10.014 -4.275 0.546 1.00 0.00 N ATOM 321 CA ASN A 46 -9.988 -5.427 -0.353 1.00 0.00 C ATOM 322 C ASN A 46 -8.597 -5.520 -0.979 1.00 0.00 C ATOM 323 O ASN A 46 -7.972 -4.487 -1.213 1.00 0.00 O ATOM 324 CB ASN A 46 -11.088 -5.265 -1.408 1.00 0.00 C ATOM 325 CG ASN A 46 -12.480 -5.228 -0.781 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.916 -6.195 -0.165 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.197 -4.113 -0.902 1.00 0.00 N ATOM 0 H ASN A 46 -9.669 -3.421 0.108 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.183 -6.355 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.919 -4.347 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.032 -6.089 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.123 -4.054 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.820 -3.318 -1.417 1.00 0.00 H new ATOM 328 N ILE A 47 -8.072 -6.725 -1.228 1.00 0.00 N ATOM 329 CA ILE A 47 -6.717 -6.877 -1.739 1.00 0.00 C ATOM 330 C ILE A 47 -6.686 -6.222 -3.113 1.00 0.00 C ATOM 331 O ILE A 47 -5.872 -5.340 -3.359 1.00 0.00 O ATOM 332 CB ILE A 47 -6.323 -8.368 -1.784 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.990 -8.911 -0.383 1.00 0.00 C ATOM 334 CG2 ILE A 47 -5.156 -8.626 -2.745 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.579 -8.546 0.097 1.00 0.00 C ATOM 0 H ILE A 47 -8.569 -7.604 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.986 -6.395 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.193 -8.905 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.719 -8.525 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.094 -9.996 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.913 -9.688 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.439 -8.319 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.286 -8.054 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.414 -8.962 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.842 -8.955 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.477 -7.461 0.136 1.00 0.00 H new ATOM 336 N GLU A 48 -7.622 -6.623 -3.970 1.00 0.00 N ATOM 337 CA GLU A 48 -7.915 -6.042 -5.267 1.00 0.00 C ATOM 338 C GLU A 48 -7.752 -4.524 -5.226 1.00 0.00 C ATOM 339 O GLU A 48 -6.946 -3.949 -5.951 1.00 0.00 O ATOM 340 CB GLU A 48 -9.338 -6.420 -5.691 1.00 0.00 C ATOM 341 CG GLU A 48 -9.787 -7.839 -5.310 1.00 0.00 C ATOM 342 CD GLU A 48 -10.386 -7.958 -3.909 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.591 -8.124 -2.955 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.623 -7.832 -3.811 1.00 0.00 O ATOM 0 H GLU A 48 -8.232 -7.413 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.210 -6.436 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.032 -5.707 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.417 -6.311 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.524 -8.181 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.931 -8.510 -5.384 1.00 0.00 H new ATOM 345 N ALA A 49 -8.523 -3.896 -4.339 1.00 0.00 N ATOM 346 CA ALA A 49 -8.511 -2.455 -4.112 1.00 0.00 C ATOM 347 C ALA A 49 -7.113 -1.921 -3.776 1.00 0.00 C ATOM 348 O ALA A 49 -6.701 -0.885 -4.306 1.00 0.00 O ATOM 349 CB ALA A 49 -9.510 -2.103 -3.014 1.00 0.00 C ATOM 0 H ALA A 49 -9.189 -4.389 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.806 -1.969 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.500 -1.026 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.510 -2.414 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.235 -2.617 -2.093 1.00 0.00 H new ATOM 350 N ILE A 50 -6.372 -2.602 -2.895 1.00 0.00 N ATOM 351 CA ILE A 50 -4.996 -2.237 -2.617 1.00 0.00 C ATOM 352 C ILE A 50 -4.167 -2.337 -3.905 1.00 0.00 C ATOM 353 O ILE A 50 -3.513 -1.367 -4.284 1.00 0.00 O ATOM 354 CB ILE A 50 -4.418 -3.092 -1.471 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.157 -2.951 -0.125 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.941 -2.756 -1.288 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.416 -1.518 0.342 1.00 0.00 C ATOM 0 H ILE A 50 -6.710 -3.407 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.956 -1.203 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.555 -4.131 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.114 -3.467 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.578 -3.465 0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.528 -3.358 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.402 -2.970 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.836 -1.699 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.940 -1.536 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.466 -0.996 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.026 -0.999 -0.397 1.00 0.00 H new ATOM 358 N VAL A 51 -4.176 -3.490 -4.582 1.00 0.00 N ATOM 359 CA VAL A 51 -3.364 -3.707 -5.761 1.00 0.00 C ATOM 360 C VAL A 51 -3.641 -2.602 -6.790 1.00 0.00 C ATOM 361 O VAL A 51 -2.720 -1.908 -7.209 1.00 0.00 O ATOM 362 CB VAL A 51 -3.618 -5.112 -6.340 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.645 -5.311 -7.489 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.336 -6.256 -5.359 1.00 0.00 C ATOM 0 H VAL A 51 -4.749 -4.292 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.309 -3.658 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.672 -5.149 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.795 -6.298 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.818 -4.548 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.623 -5.230 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.540 -7.210 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.291 -6.222 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.976 -6.151 -4.483 1.00 0.00 H new ATOM 365 N TYR A 52 -4.918 -2.402 -7.133 1.00 0.00 N ATOM 366 CA TYR A 52 -5.403 -1.313 -7.980 1.00 0.00 C ATOM 367 C TYR A 52 -4.731 0.013 -7.607 1.00 0.00 C ATOM 368 O TYR A 52 -4.269 0.747 -8.482 1.00 0.00 O ATOM 369 CB TYR A 52 -6.936 -1.229 -7.860 1.00 0.00 C ATOM 370 CG TYR A 52 -7.552 0.142 -8.091 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.573 0.719 -9.374 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.071 0.863 -7.000 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.063 2.027 -9.552 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.542 2.172 -7.176 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.545 2.758 -8.449 1.00 0.00 C ATOM 376 OH TYR A 52 -9.002 4.032 -8.615 1.00 0.00 O ATOM 0 H TYR A 52 -5.667 -3.017 -6.816 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.143 -1.515 -9.019 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.375 -1.927 -8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.221 -1.570 -6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.213 0.158 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.107 0.406 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.069 2.471 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.904 2.731 -6.326 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.443 4.331 -7.792 1.00 0.00 H new ATOM 377 N GLN A 53 -4.674 0.311 -6.307 1.00 0.00 N ATOM 378 CA GLN A 53 -4.087 1.533 -5.790 1.00 0.00 C ATOM 379 C GLN A 53 -2.637 1.647 -6.274 1.00 0.00 C ATOM 380 O GLN A 53 -2.272 2.567 -7.007 1.00 0.00 O ATOM 381 CB GLN A 53 -4.171 1.507 -4.249 1.00 0.00 C ATOM 382 CG GLN A 53 -4.707 2.812 -3.691 1.00 0.00 C ATOM 383 CD GLN A 53 -6.215 3.025 -3.895 1.00 0.00 C ATOM 384 OE1 GLN A 53 -6.665 4.165 -3.871 1.00 0.00 O ATOM 385 NE2 GLN A 53 -7.021 1.983 -4.101 1.00 0.00 N ATOM 0 H GLN A 53 -5.041 -0.303 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.629 2.406 -6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.815 0.686 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.182 1.314 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.489 2.852 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.171 3.639 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.638 1.038 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.021 2.131 -4.240 1.00 0.00 H new ATOM 386 N ILE A 54 -1.829 0.678 -5.842 1.00 0.00 N ATOM 387 CA ILE A 54 -0.407 0.555 -6.155 1.00 0.00 C ATOM 388 C ILE A 54 -0.169 0.589 -7.669 1.00 0.00 C ATOM 389 O ILE A 54 0.694 1.329 -8.137 1.00 0.00 O ATOM 390 CB ILE A 54 0.172 -0.715 -5.493 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.507 -0.509 -4.003 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.477 -1.180 -6.152 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.726 -0.542 -3.108 1.00 0.00 C ATOM 0 H ILE A 54 -2.163 -0.074 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 54 0.124 1.413 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.616 -1.457 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.204 -1.283 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.014 0.448 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.840 -2.076 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.294 -1.404 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.225 -0.391 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.427 -0.391 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.413 0.250 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.221 -1.508 -3.206 1.00 0.00 H new ATOM 394 N GLU A 55 -0.909 -0.206 -8.441 1.00 0.00 N ATOM 395 CA GLU A 55 -0.811 -0.214 -9.881 1.00 0.00 C ATOM 396 C GLU A 55 -0.956 1.210 -10.413 1.00 0.00 C ATOM 397 O GLU A 55 -0.020 1.748 -11.004 1.00 0.00 O ATOM 398 CB GLU A 55 -1.942 -1.072 -10.434 1.00 0.00 C ATOM 399 CG GLU A 55 -1.769 -2.588 -10.363 1.00 0.00 C ATOM 400 CD GLU A 55 -3.047 -3.281 -10.843 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.011 -2.552 -11.185 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.042 -4.530 -10.848 1.00 0.00 O ATOM 0 H GLU A 55 -1.595 -0.864 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 55 0.156 -0.614 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.856 -0.811 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.094 -0.798 -11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.924 -2.896 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.544 -2.890 -9.340 1.00 0.00 H new ATOM 403 N ASN A 56 -2.146 1.787 -10.218 1.00 0.00 N ATOM 404 CA ASN A 56 -2.653 2.872 -11.043 1.00 0.00 C ATOM 405 C ASN A 56 -2.217 4.242 -10.535 1.00 0.00 C ATOM 406 O ASN A 56 -2.138 5.179 -11.326 1.00 0.00 O ATOM 407 CB ASN A 56 -4.180 2.754 -11.158 1.00 0.00 C ATOM 408 CG ASN A 56 -4.588 1.497 -11.929 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.752 1.533 -13.143 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.730 0.380 -11.222 1.00 0.00 N ATOM 0 H ASN A 56 -2.785 1.507 -9.474 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.219 2.781 -12.039 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.620 2.730 -10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.577 3.636 -11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.985 -0.490 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.584 0.393 -10.213 1.00 0.00 H new ATOM 411 N GLY A 57 -1.904 4.368 -9.243 1.00 0.00 N ATOM 412 CA GLY A 57 -1.417 5.621 -8.684 1.00 0.00 C ATOM 413 C GLY A 57 -2.565 6.588 -8.392 1.00 0.00 C ATOM 414 O GLY A 57 -3.567 6.615 -9.102 1.00 0.00 O ATOM 0 H GLY A 57 -1.982 3.610 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.866 5.421 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.718 6.084 -9.381 1.00 0.00 H new ATOM 415 N LYS A 58 -2.435 7.349 -7.304 1.00 0.00 N ATOM 416 CA LYS A 58 -3.476 8.189 -6.728 1.00 0.00 C ATOM 417 C LYS A 58 -2.963 9.614 -6.479 1.00 0.00 C ATOM 418 O LYS A 58 -1.869 9.986 -6.914 1.00 0.00 O ATOM 419 CB LYS A 58 -3.932 7.567 -5.398 1.00 0.00 C ATOM 420 CG LYS A 58 -4.406 6.115 -5.465 1.00 0.00 C ATOM 421 CD LYS A 58 -5.579 5.882 -6.427 1.00 0.00 C ATOM 422 CE LYS A 58 -6.835 6.730 -6.157 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.363 6.568 -4.788 1.00 0.00 N ATOM 0 H LYS A 58 -1.561 7.396 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.310 8.248 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.106 7.626 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.742 8.175 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.570 5.485 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.700 5.794 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.238 6.082 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.857 4.829 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.599 7.781 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.610 6.458 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.391 6.725 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.161 5.606 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.909 7.259 -4.157 1.00 0.00 H new ATOM 424 N GLY A 59 -3.751 10.401 -5.736 1.00 0.00 N ATOM 425 CA GLY A 59 -3.360 11.701 -5.218 1.00 0.00 C ATOM 426 C GLY A 59 -1.952 11.634 -4.630 1.00 0.00 C ATOM 427 O GLY A 59 -1.686 10.826 -3.751 1.00 0.00 O ATOM 0 H GLY A 59 -4.701 10.137 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.394 12.443 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.066 12.023 -4.453 1.00 0.00 H new ATOM 428 N ALA A 60 -1.052 12.460 -5.163 1.00 0.00 N ATOM 429 CA ALA A 60 0.375 12.495 -4.882 1.00 0.00 C ATOM 430 C ALA A 60 0.991 11.108 -4.637 1.00 0.00 C ATOM 431 O ALA A 60 1.813 10.951 -3.734 1.00 0.00 O ATOM 432 CB ALA A 60 0.622 13.472 -3.733 1.00 0.00 C ATOM 0 H ALA A 60 -1.323 13.167 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 60 0.894 12.851 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.688 13.509 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.276 14.465 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.078 13.139 -2.849 1.00 0.00 H new ATOM 433 N MET A 61 0.622 10.120 -5.462 1.00 0.00 N ATOM 434 CA MET A 61 1.123 8.756 -5.372 1.00 0.00 C ATOM 435 C MET A 61 1.396 8.212 -6.776 1.00 0.00 C ATOM 436 O MET A 61 0.445 7.933 -7.506 1.00 0.00 O ATOM 437 CB MET A 61 0.095 7.893 -4.644 1.00 0.00 C ATOM 438 CG MET A 61 0.455 6.404 -4.711 1.00 0.00 C ATOM 439 SD MET A 61 -0.258 5.397 -3.395 1.00 0.00 S ATOM 440 CE MET A 61 -0.426 3.763 -4.143 1.00 0.00 C ATOM 0 H MET A 61 -0.045 10.256 -6.222 1.00 0.00 H new ATOM 0 HA MET A 61 2.058 8.738 -4.812 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.031 8.205 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.889 8.050 -5.085 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.127 6.008 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.540 6.305 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.855 3.073 -3.417 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.080 3.826 -5.013 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.555 3.402 -4.452 1.00 0.00 H new ATOM 441 N PRO A 62 2.672 8.032 -7.158 1.00 0.00 N ATOM 442 CA PRO A 62 3.048 7.409 -8.415 1.00 0.00 C ATOM 443 C PRO A 62 2.356 6.064 -8.636 1.00 0.00 C ATOM 444 O PRO A 62 2.184 5.289 -7.696 1.00 0.00 O ATOM 445 CB PRO A 62 4.565 7.209 -8.332 1.00 0.00 C ATOM 446 CG PRO A 62 5.019 8.328 -7.398 1.00 0.00 C ATOM 447 CD PRO A 62 3.855 8.430 -6.413 1.00 0.00 C ATOM 0 HA PRO A 62 2.747 8.038 -9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.820 6.226 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.035 7.288 -9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.955 8.083 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.180 9.263 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.013 7.780 -5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.754 9.446 -6.031 1.00 0.00 H new ATOM 448 N ALA A 63 2.032 5.769 -9.897 1.00 0.00 N ATOM 449 CA ALA A 63 1.702 4.422 -10.333 1.00 0.00 C ATOM 450 C ALA A 63 2.920 3.520 -10.161 1.00 0.00 C ATOM 451 O ALA A 63 4.062 3.992 -10.232 1.00 0.00 O ATOM 452 CB ALA A 63 1.290 4.461 -11.811 1.00 0.00 C ATOM 0 H ALA A 63 1.993 6.464 -10.642 1.00 0.00 H new ATOM 0 HA ALA A 63 0.879 4.030 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.041 3.454 -12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.421 5.108 -11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.115 4.848 -12.409 1.00 0.00 H new ATOM 453 N TRP A 64 2.685 2.223 -9.955 1.00 0.00 N ATOM 454 CA TRP A 64 3.732 1.216 -9.908 1.00 0.00 C ATOM 455 C TRP A 64 3.518 0.136 -10.966 1.00 0.00 C ATOM 456 O TRP A 64 4.368 -0.748 -11.116 1.00 0.00 O ATOM 457 CB TRP A 64 3.864 0.684 -8.485 1.00 0.00 C ATOM 458 CG TRP A 64 4.262 1.745 -7.504 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.446 2.581 -6.822 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.611 2.176 -7.196 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.204 3.465 -6.081 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.555 3.261 -6.275 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.880 1.772 -7.646 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.715 3.886 -5.793 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.049 2.385 -7.168 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.971 3.430 -6.228 1.00 0.00 C ATOM 0 H TRP A 64 1.749 1.844 -9.815 1.00 0.00 H new ATOM 0 HA TRP A 64 4.691 1.666 -10.166 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.915 0.247 -8.176 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.604 -0.116 -8.468 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.367 2.560 -6.853 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.814 4.180 -5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.957 0.976 -8.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.643 4.708 -5.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.013 2.053 -7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.874 3.880 -5.842 1.00 0.00 H new ATOM 467 N ASP A 65 2.432 0.253 -11.747 1.00 0.00 N ATOM 468 CA ASP A 65 2.222 -0.543 -12.931 1.00 0.00 C ATOM 469 C ASP A 65 3.492 -0.545 -13.784 1.00 0.00 C ATOM 470 O ASP A 65 4.115 0.495 -14.000 1.00 0.00 O ATOM 471 CB ASP A 65 1.031 -0.017 -13.736 1.00 0.00 C ATOM 472 CG ASP A 65 0.907 -0.766 -15.058 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.211 -1.978 -15.048 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.544 -0.105 -16.055 1.00 0.00 O ATOM 0 H ASP A 65 1.678 0.913 -11.558 1.00 0.00 H new ATOM 0 HA ASP A 65 1.996 -1.566 -12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.114 -0.133 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.155 1.049 -13.926 1.00 0.00 H new ATOM 475 N GLY A 66 3.907 -1.739 -14.188 1.00 0.00 N ATOM 476 CA GLY A 66 5.086 -1.984 -15.006 1.00 0.00 C ATOM 477 C GLY A 66 6.421 -1.612 -14.349 1.00 0.00 C ATOM 478 O GLY A 66 7.464 -1.825 -14.964 1.00 0.00 O ATOM 0 H GLY A 66 3.411 -2.596 -13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.112 -3.041 -15.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.987 -1.423 -15.936 1.00 0.00 H new ATOM 479 N ARG A 67 6.426 -1.055 -13.131 1.00 0.00 N ATOM 480 CA ARG A 67 7.649 -0.682 -12.427 1.00 0.00 C ATOM 481 C ARG A 67 8.061 -1.809 -11.483 1.00 0.00 C ATOM 482 O ARG A 67 9.244 -2.127 -11.394 1.00 0.00 O ATOM 483 CB ARG A 67 7.449 0.636 -11.668 1.00 0.00 C ATOM 484 CG ARG A 67 7.248 1.801 -12.648 1.00 0.00 C ATOM 485 CD ARG A 67 6.878 3.093 -11.915 1.00 0.00 C ATOM 486 NE ARG A 67 7.952 3.551 -11.023 1.00 0.00 N ATOM 487 CZ ARG A 67 7.787 4.232 -9.876 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.569 4.531 -9.408 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.867 4.620 -9.187 1.00 0.00 N ATOM 0 H ARG A 67 5.574 -0.851 -12.608 1.00 0.00 H new ATOM 0 HA ARG A 67 8.450 -0.528 -13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.584 0.555 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.314 0.832 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.161 1.956 -13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.463 1.548 -13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.657 3.872 -12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.969 2.932 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 67 8.909 3.332 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.739 4.241 -9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.471 5.049 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.800 4.398 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.757 5.138 -8.315 1.00 0.00 H new ATOM 490 N LEU A 68 7.086 -2.391 -10.779 1.00 0.00 N ATOM 491 CA LEU A 68 7.286 -3.558 -9.927 1.00 0.00 C ATOM 492 C LEU A 68 6.781 -4.800 -10.678 1.00 0.00 C ATOM 493 O LEU A 68 5.938 -4.670 -11.566 1.00 0.00 O ATOM 494 CB LEU A 68 6.534 -3.349 -8.603 1.00 0.00 C ATOM 495 CG LEU A 68 6.910 -2.064 -7.847 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.023 -1.907 -6.606 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.376 -2.009 -7.410 1.00 0.00 C ATOM 0 H LEU A 68 6.122 -2.057 -10.788 1.00 0.00 H new ATOM 0 HA LEU A 68 8.341 -3.699 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.463 -3.334 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.723 -4.204 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 68 6.752 -1.248 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.296 -0.994 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.978 -1.851 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.163 -2.764 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.564 -1.073 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.590 -2.848 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.020 -2.067 -8.288 1.00 0.00 H new ATOM 498 N ASP A 69 7.284 -5.994 -10.339 1.00 0.00 N ATOM 499 CA ASP A 69 6.782 -7.255 -10.896 1.00 0.00 C ATOM 500 C ASP A 69 5.390 -7.557 -10.346 1.00 0.00 C ATOM 501 O ASP A 69 4.942 -6.965 -9.371 1.00 0.00 O ATOM 502 CB ASP A 69 7.748 -8.409 -10.588 1.00 0.00 C ATOM 503 CG ASP A 69 7.448 -9.731 -11.279 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.520 -10.414 -10.787 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.116 -10.019 -12.293 1.00 0.00 O ATOM 0 H ASP A 69 8.048 -6.112 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 69 6.714 -7.152 -11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.755 -8.097 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.751 -8.577 -9.511 1.00 0.00 H new ATOM 506 N GLU A 70 4.727 -8.531 -10.947 1.00 0.00 N ATOM 507 CA GLU A 70 3.419 -9.005 -10.527 1.00 0.00 C ATOM 508 C GLU A 70 3.508 -9.570 -9.109 1.00 0.00 C ATOM 509 O GLU A 70 2.686 -9.244 -8.250 1.00 0.00 O ATOM 510 CB GLU A 70 2.905 -10.070 -11.507 1.00 0.00 C ATOM 511 CG GLU A 70 2.667 -9.503 -12.914 1.00 0.00 C ATOM 512 CD GLU A 70 2.071 -10.539 -13.864 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.290 -11.386 -13.377 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.396 -10.460 -15.069 1.00 0.00 O ATOM 0 H GLU A 70 5.093 -9.026 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 70 2.715 -8.173 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.626 -10.886 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.975 -10.492 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.997 -8.645 -12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.611 -9.140 -13.321 1.00 0.00 H new ATOM 515 N ASP A 71 4.511 -10.418 -8.861 1.00 0.00 N ATOM 516 CA ASP A 71 4.685 -11.062 -7.564 1.00 0.00 C ATOM 517 C ASP A 71 4.955 -9.988 -6.507 1.00 0.00 C ATOM 518 O ASP A 71 4.278 -9.883 -5.485 1.00 0.00 O ATOM 519 CB ASP A 71 5.829 -12.078 -7.661 1.00 0.00 C ATOM 520 CG ASP A 71 5.901 -12.951 -6.418 1.00 0.00 C ATOM 521 OD1 ASP A 71 6.247 -12.394 -5.358 1.00 0.00 O ATOM 522 OD2 ASP A 71 5.610 -14.159 -6.551 1.00 0.00 O ATOM 0 H ASP A 71 5.218 -10.673 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 71 3.784 -11.601 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.687 -12.706 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.775 -11.552 -7.794 1.00 0.00 H new ATOM 523 N GLU A 72 5.914 -9.124 -6.830 1.00 0.00 N ATOM 524 CA GLU A 72 6.316 -7.968 -6.062 1.00 0.00 C ATOM 525 C GLU A 72 5.098 -7.123 -5.649 1.00 0.00 C ATOM 526 O GLU A 72 4.804 -6.980 -4.459 1.00 0.00 O ATOM 527 CB GLU A 72 7.320 -7.227 -6.951 1.00 0.00 C ATOM 528 CG GLU A 72 8.073 -6.149 -6.215 1.00 0.00 C ATOM 529 CD GLU A 72 9.158 -5.508 -7.069 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.033 -5.610 -8.309 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.086 -4.929 -6.467 1.00 0.00 O ATOM 0 H GLU A 72 6.458 -9.226 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 72 6.783 -8.230 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.031 -7.944 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.792 -6.783 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.373 -5.381 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.524 -6.573 -5.318 1.00 0.00 H new ATOM 532 N ILE A 73 4.369 -6.598 -6.640 1.00 0.00 N ATOM 533 CA ILE A 73 3.097 -5.890 -6.475 1.00 0.00 C ATOM 534 C ILE A 73 2.196 -6.659 -5.503 1.00 0.00 C ATOM 535 O ILE A 73 1.723 -6.115 -4.503 1.00 0.00 O ATOM 536 CB ILE A 73 2.391 -5.731 -7.842 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.126 -4.788 -8.803 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.939 -5.276 -7.699 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.770 -3.303 -8.684 1.00 0.00 C ATOM 0 H ILE A 73 4.661 -6.657 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 73 3.295 -4.898 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 73 2.409 -6.731 -8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.198 -4.899 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.923 -5.110 -9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.489 -5.180 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.383 -6.011 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.908 -4.312 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.348 -2.731 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.706 -3.167 -8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.002 -2.953 -7.678 1.00 0.00 H new ATOM 540 N ALA A 74 1.938 -7.929 -5.809 1.00 0.00 N ATOM 541 CA ALA A 74 1.057 -8.754 -4.996 1.00 0.00 C ATOM 542 C ALA A 74 1.529 -8.820 -3.540 1.00 0.00 C ATOM 543 O ALA A 74 0.710 -8.725 -2.625 1.00 0.00 O ATOM 544 CB ALA A 74 0.918 -10.150 -5.607 1.00 0.00 C ATOM 0 H ALA A 74 2.331 -8.408 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 74 0.071 -8.289 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.256 -10.754 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.501 -10.068 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.898 -10.623 -5.659 1.00 0.00 H new ATOM 545 N GLY A 75 2.838 -8.969 -3.305 1.00 0.00 N ATOM 546 CA GLY A 75 3.363 -9.180 -1.969 1.00 0.00 C ATOM 547 C GLY A 75 3.306 -7.867 -1.204 1.00 0.00 C ATOM 548 O GLY A 75 2.950 -7.864 -0.032 1.00 0.00 O ATOM 0 H GLY A 75 3.550 -8.946 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.781 -9.943 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.390 -9.542 -2.020 1.00 0.00 H new ATOM 549 N VAL A 76 3.616 -6.739 -1.851 1.00 0.00 N ATOM 550 CA VAL A 76 3.521 -5.434 -1.205 1.00 0.00 C ATOM 551 C VAL A 76 2.064 -5.084 -0.877 1.00 0.00 C ATOM 552 O VAL A 76 1.774 -4.607 0.222 1.00 0.00 O ATOM 553 CB VAL A 76 4.283 -4.365 -2.007 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.468 -3.594 -3.048 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.837 -3.293 -1.055 1.00 0.00 C ATOM 0 H VAL A 76 3.934 -6.707 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 76 4.023 -5.471 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 76 5.044 -4.942 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.110 -2.869 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.065 -4.291 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.648 -3.072 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.375 -2.539 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.013 -2.821 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.516 -3.757 -0.340 1.00 0.00 H new ATOM 556 N ALA A 77 1.131 -5.352 -1.799 1.00 0.00 N ATOM 557 CA ALA A 77 -0.287 -5.179 -1.515 1.00 0.00 C ATOM 558 C ALA A 77 -0.694 -6.033 -0.315 1.00 0.00 C ATOM 559 O ALA A 77 -1.189 -5.514 0.687 1.00 0.00 O ATOM 560 CB ALA A 77 -1.116 -5.542 -2.746 1.00 0.00 C ATOM 0 H ALA A 77 1.337 -5.687 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.475 -4.134 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.175 -5.409 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.836 -4.895 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.929 -6.581 -3.017 1.00 0.00 H new ATOM 561 N ALA A 78 -0.467 -7.346 -0.412 1.00 0.00 N ATOM 562 CA ALA A 78 -0.730 -8.278 0.671 1.00 0.00 C ATOM 563 C ALA A 78 -0.071 -7.829 1.978 1.00 0.00 C ATOM 564 O ALA A 78 -0.684 -7.942 3.031 1.00 0.00 O ATOM 565 CB ALA A 78 -0.278 -9.685 0.275 1.00 0.00 C ATOM 0 H ALA A 78 -0.093 -7.788 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.805 -8.296 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.480 -10.376 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.823 -10.006 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.791 -9.677 0.062 1.00 0.00 H new ATOM 566 N TYR A 79 1.157 -7.311 1.926 1.00 0.00 N ATOM 567 CA TYR A 79 1.869 -6.819 3.096 1.00 0.00 C ATOM 568 C TYR A 79 1.085 -5.713 3.773 1.00 0.00 C ATOM 569 O TYR A 79 0.719 -5.840 4.937 1.00 0.00 O ATOM 570 CB TYR A 79 3.273 -6.338 2.716 1.00 0.00 C ATOM 571 CG TYR A 79 4.065 -5.688 3.836 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.481 -6.456 4.936 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.355 -4.310 3.800 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.157 -5.853 6.008 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.037 -3.706 4.872 1.00 0.00 C ATOM 576 CZ TYR A 79 5.430 -4.476 5.979 1.00 0.00 C ATOM 577 OH TYR A 79 6.022 -3.875 7.049 1.00 0.00 O ATOM 0 H TYR A 79 1.687 -7.222 1.059 1.00 0.00 H new ATOM 0 HA TYR A 79 1.974 -7.643 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.840 -7.189 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.185 -5.626 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.279 -7.517 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.054 -3.717 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.467 -6.448 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.259 -2.649 4.844 1.00 0.00 H new ATOM 0 HH TYR A 79 6.140 -2.920 6.864 1.00 0.00 H new ATOM 578 N VAL A 80 0.820 -4.632 3.043 1.00 0.00 N ATOM 579 CA VAL A 80 0.033 -3.528 3.544 1.00 0.00 C ATOM 580 C VAL A 80 -1.285 -4.052 4.133 1.00 0.00 C ATOM 581 O VAL A 80 -1.655 -3.700 5.257 1.00 0.00 O ATOM 582 CB VAL A 80 -0.150 -2.543 2.382 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.250 -1.543 2.697 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.165 -1.800 2.112 1.00 0.00 C ATOM 0 H VAL A 80 1.150 -4.505 2.086 1.00 0.00 H new ATOM 0 HA VAL A 80 0.525 -3.002 4.362 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.434 -3.107 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.365 -0.853 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.188 -2.074 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.987 -0.984 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.026 -1.103 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.462 -1.250 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.943 -2.519 1.853 1.00 0.00 H new ATOM 585 N TYR A 81 -1.968 -4.921 3.384 1.00 0.00 N ATOM 586 CA TYR A 81 -3.212 -5.529 3.830 1.00 0.00 C ATOM 587 C TYR A 81 -3.035 -6.231 5.173 1.00 0.00 C ATOM 588 O TYR A 81 -3.835 -6.033 6.082 1.00 0.00 O ATOM 589 CB TYR A 81 -3.733 -6.514 2.782 1.00 0.00 C ATOM 590 CG TYR A 81 -5.208 -6.824 2.935 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.650 -7.794 3.855 1.00 0.00 C ATOM 592 CD2 TYR A 81 -6.148 -6.102 2.181 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.028 -8.002 4.054 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.519 -6.326 2.368 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.965 -7.240 3.336 1.00 0.00 C ATOM 596 OH TYR A 81 -9.299 -7.406 3.564 1.00 0.00 O ATOM 0 H TYR A 81 -1.671 -5.219 2.455 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.944 -4.732 3.959 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.556 -6.104 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.164 -7.441 2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.931 -8.379 4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.814 -5.374 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.365 -8.748 4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.237 -5.792 1.763 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.798 -6.686 3.125 1.00 0.00 H new ATOM 597 N ASP A 82 -2.006 -7.071 5.288 1.00 0.00 N ATOM 598 CA ASP A 82 -1.762 -7.898 6.452 1.00 0.00 C ATOM 599 C ASP A 82 -1.421 -7.030 7.663 1.00 0.00 C ATOM 600 O ASP A 82 -2.013 -7.182 8.733 1.00 0.00 O ATOM 601 CB ASP A 82 -0.636 -8.886 6.148 1.00 0.00 C ATOM 602 CG ASP A 82 -0.641 -9.969 7.197 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.043 -9.727 8.262 1.00 0.00 O ATOM 604 OD2 ASP A 82 -1.237 -11.033 6.922 1.00 0.00 O ATOM 0 H ASP A 82 -1.308 -7.192 4.554 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.665 -8.460 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.772 -9.320 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.325 -8.372 6.141 1.00 0.00 H new ATOM 605 N GLN A 83 -0.490 -6.088 7.469 1.00 0.00 N ATOM 606 CA GLN A 83 -0.111 -5.102 8.459 1.00 0.00 C ATOM 607 C GLN A 83 -1.349 -4.439 9.050 1.00 0.00 C ATOM 608 O GLN A 83 -1.509 -4.411 10.270 1.00 0.00 O ATOM 609 CB GLN A 83 0.818 -4.055 7.841 1.00 0.00 C ATOM 610 CG GLN A 83 2.217 -4.561 7.501 1.00 0.00 C ATOM 611 CD GLN A 83 3.014 -4.983 8.728 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.465 -6.119 8.829 1.00 0.00 O ATOM 613 NE2 GLN A 83 3.169 -4.075 9.680 1.00 0.00 N ATOM 0 H GLN A 83 0.027 -5.998 6.594 1.00 0.00 H new ATOM 0 HA GLN A 83 0.426 -5.606 9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.355 -3.671 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.908 -3.217 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.135 -5.408 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.762 -3.778 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.780 -3.140 9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.678 -4.311 10.532 1.00 0.00 H new ATOM 614 N ALA A 84 -2.223 -3.928 8.177 1.00 0.00 N ATOM 615 CA ALA A 84 -3.491 -3.346 8.583 1.00 0.00 C ATOM 616 C ALA A 84 -4.358 -4.376 9.320 1.00 0.00 C ATOM 617 O ALA A 84 -4.750 -4.146 10.461 1.00 0.00 O ATOM 618 CB ALA A 84 -4.202 -2.775 7.354 1.00 0.00 C ATOM 0 H ALA A 84 -2.064 -3.910 7.170 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.308 -2.532 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.154 -2.337 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.578 -2.007 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.381 -3.573 6.634 1.00 0.00 H new ATOM 619 N ALA A 85 -4.656 -5.508 8.678 1.00 0.00 N ATOM 620 CA ALA A 85 -5.579 -6.529 9.167 1.00 0.00 C ATOM 621 C ALA A 85 -5.224 -6.970 10.582 1.00 0.00 C ATOM 622 O ALA A 85 -6.065 -6.931 11.478 1.00 0.00 O ATOM 623 CB ALA A 85 -5.575 -7.746 8.230 1.00 0.00 C ATOM 0 H ALA A 85 -4.247 -5.745 7.774 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.576 -6.089 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.268 -8.498 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.884 -7.437 7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.571 -8.167 8.185 1.00 0.00 H new ATOM 624 N GLY A 86 -3.975 -7.395 10.774 1.00 0.00 N ATOM 625 CA GLY A 86 -3.490 -7.842 12.068 1.00 0.00 C ATOM 626 C GLY A 86 -3.165 -6.674 12.999 1.00 0.00 C ATOM 627 O GLY A 86 -2.839 -6.905 14.159 1.00 0.00 O ATOM 0 H GLY A 86 -3.275 -7.437 10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.241 -8.478 12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.598 -8.452 11.928 1.00 0.00 H new ATOM 628 N ASN A 87 -3.213 -5.433 12.496 1.00 0.00 N ATOM 629 CA ASN A 87 -2.727 -4.247 13.183 1.00 0.00 C ATOM 630 C ASN A 87 -1.318 -4.506 13.722 1.00 0.00 C ATOM 631 O ASN A 87 -1.059 -4.318 14.909 1.00 0.00 O ATOM 632 CB ASN A 87 -3.728 -3.804 14.260 1.00 0.00 C ATOM 633 CG ASN A 87 -3.517 -2.348 14.675 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.332 -1.488 14.358 1.00 0.00 O ATOM 635 ND2 ASN A 87 -2.430 -2.040 15.373 1.00 0.00 N ATOM 0 H ASN A 87 -3.603 -5.230 11.576 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.648 -3.412 12.486 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.744 -3.930 13.885 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.629 -4.448 15.134 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.262 -1.074 15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.764 -2.769 15.627 1.00 0.00 H new ATOM 636 N LYS A 88 -0.414 -4.963 12.848 1.00 0.00 N ATOM 637 CA LYS A 88 0.955 -5.278 13.197 1.00 0.00 C ATOM 638 C LYS A 88 1.924 -4.263 12.570 1.00 0.00 C ATOM 639 O LYS A 88 3.105 -4.568 12.389 1.00 0.00 O ATOM 640 CB LYS A 88 1.230 -6.746 12.834 1.00 0.00 C ATOM 641 CG LYS A 88 1.085 -7.068 11.345 1.00 0.00 C ATOM 642 CD LYS A 88 1.582 -8.464 10.934 1.00 0.00 C ATOM 643 CE LYS A 88 0.658 -9.616 11.369 1.00 0.00 C ATOM 644 NZ LYS A 88 0.810 -10.785 10.475 1.00 0.00 N ATOM 0 H LYS A 88 -0.628 -5.123 11.864 1.00 0.00 H new ATOM 0 HA LYS A 88 1.120 -5.185 14.270 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.241 -7.003 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.547 -7.381 13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.035 -6.976 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.632 -6.320 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.694 -8.493 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.572 -8.626 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.890 -9.905 12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.378 -9.279 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.117 -11.515 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.649 -10.492 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.771 -11.171 10.568 1.00 0.00 H new ATOM 645 N TRP A 89 1.434 -3.064 12.227 1.00 0.00 N ATOM 646 CA TRP A 89 2.274 -1.875 12.219 1.00 0.00 C ATOM 647 C TRP A 89 2.795 -1.635 13.638 1.00 0.00 C ATOM 648 O TRP A 89 2.011 -1.897 14.577 1.00 0.00 O ATOM 649 CB TRP A 89 1.454 -0.664 11.762 1.00 0.00 C ATOM 650 CG TRP A 89 0.988 -0.700 10.342 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.299 -0.719 9.932 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.797 -0.728 9.128 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.335 -0.748 8.556 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.924 -0.743 8.002 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.179 -0.784 8.864 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.395 -0.790 6.681 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.659 -0.915 7.550 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.777 -0.882 6.456 1.00 0.00 C ATOM 659 OXT TRP A 89 3.954 -1.182 13.753 1.00 0.00 O ATOM 0 H TRP A 89 0.465 -2.900 11.954 1.00 0.00 H new ATOM 0 HA TRP A 89 3.109 -2.016 11.533 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.582 -0.572 12.410 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.054 0.234 11.906 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.163 -0.712 10.581 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.196 -0.771 8.010 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.880 -0.725 9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.705 -0.756 5.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.718 -1.042 7.379 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.161 -0.927 5.448 1.00 0.00 H new