USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1037 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 111 ASN : amide:sc= -0.209 K(o=0.035,f=-3.9!) USER MOD Set 1.2: A 113 THR OG1 : rot -10:sc= 0.244 USER MOD Set 2.1: A 58 SER OG : rot 170:sc= -0.0331 USER MOD Set 2.2: A 60 ASN : amide:sc= -0.0206 X(o=-0.054,f=0.2) USER MOD Single : A 4 GLN : amide:sc=-0.000176 X(o=-0.00018,f=-0.023) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 34:sc= 0.634 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.377 F(o=-1.2,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0309 (180deg=-0.376) USER MOD Single : A 46 THR OG1 : rot -18:sc= 0.229 USER MOD Single : A 48 ASN : amide:sc= -2.51! C(o=-2.5!,f=-6.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.744) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 68 ASN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 75 SER OG : rot 62:sc= 0.892 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 83:sc= 1.03 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -124:sc= 0.47 (180deg=-0.148) USER MOD Single : A 87 ASN : amide:sc= 0.197 K(o=0.2,f=-4.8!) USER MOD Single : A 91 SER OG : rot -149:sc= 0.368 USER MOD Single : A 95 THR OG1 : rot 140:sc= 1.39 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.6) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.418 F(o=-3.5!,f=-0.42) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN :FLIP amide:sc= -1.07 F(o=-2.1,f=-1.1) USER MOD Single : A 107 THR OG1 : rot -179:sc= 1.79 USER MOD Single : A 112 TYR OH : rot 120:sc= -0.33! USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0448 USER MOD Single : A 123 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0226) USER MOD Single : A 125 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.22!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 143:sc= 0.119 USER MOD Single : A 132 SER OG : rot -156:sc= 1.23 USER MOD Single : A 134 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 THR OG1 : rot -71:sc= -0.884 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0347 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -16.959 2.053 -7.326 1.00 1.08 N ATOM 32 CA CYS A 3 -16.263 3.284 -7.053 1.00 0.96 C ATOM 33 C CYS A 3 -14.857 3.168 -7.605 1.00 0.83 C ATOM 34 O CYS A 3 -14.185 2.161 -7.383 1.00 0.96 O ATOM 35 CB CYS A 3 -16.244 3.522 -5.546 1.00 1.25 C ATOM 36 SG CYS A 3 -15.381 5.029 -5.010 1.00 1.43 S ATOM 0 HA CYS A 3 -16.762 4.130 -7.526 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.273 3.565 -5.188 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.775 2.664 -5.065 1.00 1.25 H new ATOM 41 N GLN A 4 -14.413 4.162 -8.342 1.00 0.67 N ATOM 42 CA GLN A 4 -13.105 4.084 -8.964 1.00 0.59 C ATOM 43 C GLN A 4 -12.029 4.552 -7.996 1.00 0.54 C ATOM 44 O GLN A 4 -12.104 5.651 -7.442 1.00 0.53 O ATOM 45 CB GLN A 4 -13.060 4.891 -10.267 1.00 0.59 C ATOM 46 CG GLN A 4 -13.373 6.366 -10.108 1.00 1.45 C ATOM 47 CD GLN A 4 -13.200 7.127 -11.407 1.00 1.65 C ATOM 48 OE1 GLN A 4 -12.123 7.642 -11.699 1.00 2.29 O ATOM 49 NE2 GLN A 4 -14.255 7.185 -12.202 1.00 1.92 N ATOM 0 H GLN A 4 -14.928 5.023 -8.525 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.911 3.042 -9.217 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -12.068 4.789 -10.708 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.769 4.457 -10.972 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -14.397 6.483 -9.753 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -12.721 6.795 -9.347 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -15.130 6.744 -11.921 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -14.193 7.671 -13.097 1.00 1.92 H new ATOM 58 N VAL A 5 -11.057 3.687 -7.756 1.00 0.56 N ATOM 59 CA VAL A 5 -9.947 4.022 -6.887 1.00 0.57 C ATOM 60 C VAL A 5 -8.771 4.519 -7.712 1.00 0.57 C ATOM 61 O VAL A 5 -8.166 3.761 -8.473 1.00 0.66 O ATOM 62 CB VAL A 5 -9.504 2.809 -6.042 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.344 3.176 -5.136 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.662 2.277 -5.221 1.00 1.51 C ATOM 0 H VAL A 5 -11.017 2.748 -8.152 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.282 4.808 -6.210 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.173 2.027 -6.725 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.050 2.305 -4.551 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.501 3.508 -5.741 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.647 3.979 -4.464 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.328 1.422 -4.633 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -11.024 3.059 -4.553 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.468 1.967 -5.886 1.00 1.51 H new ATOM 74 N ARG A 6 -8.467 5.796 -7.565 1.00 0.57 N ATOM 75 CA ARG A 6 -7.352 6.400 -8.265 1.00 0.64 C ATOM 76 C ARG A 6 -6.047 6.119 -7.545 1.00 0.58 C ATOM 77 O ARG A 6 -5.675 6.827 -6.607 1.00 0.65 O ATOM 78 CB ARG A 6 -7.544 7.910 -8.406 1.00 0.80 C ATOM 79 CG ARG A 6 -8.370 8.319 -9.613 1.00 1.47 C ATOM 80 CD ARG A 6 -7.746 7.816 -10.904 1.00 1.67 C ATOM 81 NE ARG A 6 -6.327 8.173 -11.018 1.00 1.92 N ATOM 82 CZ ARG A 6 -5.520 7.702 -11.971 1.00 2.75 C ATOM 83 NH1 ARG A 6 -6.003 6.929 -12.934 1.00 3.23 N ATOM 84 NH2 ARG A 6 -4.231 8.017 -11.974 1.00 3.57 N ATOM 0 H ARG A 6 -8.982 6.437 -6.962 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.312 5.957 -9.260 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.024 8.290 -7.504 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.565 8.386 -8.471 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.381 7.922 -9.516 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -8.456 9.405 -9.647 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -7.850 6.732 -10.956 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -8.291 8.230 -11.753 1.00 1.67 H new ATOM 0 HE ARG A 6 -5.936 8.817 -10.331 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -6.995 6.692 -12.949 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -5.383 6.571 -13.660 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -3.852 8.622 -11.245 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -3.619 7.654 -12.705 1.00 3.57 H new ATOM 98 N VAL A 7 -5.381 5.061 -7.966 1.00 0.58 N ATOM 99 CA VAL A 7 -4.039 4.773 -7.505 1.00 0.57 C ATOM 100 C VAL A 7 -3.072 5.057 -8.639 1.00 0.68 C ATOM 101 O VAL A 7 -3.139 4.419 -9.691 1.00 0.85 O ATOM 102 CB VAL A 7 -3.875 3.310 -7.041 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.495 3.092 -6.440 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.955 2.938 -6.038 1.00 1.26 C ATOM 0 H VAL A 7 -5.752 4.383 -8.632 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.832 5.406 -6.642 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.980 2.663 -7.912 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.398 2.055 -6.119 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.733 3.313 -7.188 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.363 3.752 -5.582 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.820 1.903 -5.725 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.885 3.592 -5.169 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.936 3.052 -6.500 1.00 1.26 H new ATOM 114 N GLY A 8 -2.207 6.034 -8.442 1.00 0.77 N ATOM 115 CA GLY A 8 -1.283 6.416 -9.484 1.00 0.96 C ATOM 116 C GLY A 8 0.135 6.011 -9.167 1.00 0.75 C ATOM 117 O GLY A 8 0.391 5.354 -8.157 1.00 0.86 O ATOM 0 H GLY A 8 -2.127 6.571 -7.578 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.588 5.956 -10.424 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.327 7.496 -9.628 1.00 0.96 H new ATOM 121 N ASP A 9 1.059 6.399 -10.028 1.00 0.57 N ATOM 122 CA ASP A 9 2.465 6.106 -9.818 1.00 0.45 C ATOM 123 C ASP A 9 3.172 7.331 -9.266 1.00 0.50 C ATOM 124 O ASP A 9 2.818 8.466 -9.595 1.00 0.73 O ATOM 125 CB ASP A 9 3.139 5.658 -11.122 1.00 0.56 C ATOM 126 CG ASP A 9 3.181 6.755 -12.170 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.188 6.928 -12.905 1.00 1.77 O ATOM 128 OD2 ASP A 9 4.214 7.453 -12.266 1.00 2.18 O ATOM 0 H ASP A 9 0.860 6.920 -10.882 1.00 0.57 H new ATOM 0 HA ASP A 9 2.538 5.290 -9.100 1.00 0.45 H new ATOM 0 HB2 ASP A 9 4.156 5.329 -10.906 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.605 4.798 -11.525 1.00 0.56 H new ATOM 133 N LEU A 10 4.156 7.100 -8.419 1.00 0.52 N ATOM 134 CA LEU A 10 4.930 8.179 -7.832 1.00 0.65 C ATOM 135 C LEU A 10 6.322 7.677 -7.487 1.00 0.49 C ATOM 136 O LEU A 10 6.486 6.548 -7.017 1.00 0.57 O ATOM 137 CB LEU A 10 4.245 8.753 -6.580 1.00 0.95 C ATOM 138 CG LEU A 10 4.112 7.798 -5.386 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.848 8.582 -4.109 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.991 6.792 -5.613 1.00 1.41 C ATOM 0 H LEU A 10 4.441 6.167 -8.119 1.00 0.52 H new ATOM 0 HA LEU A 10 5.002 8.984 -8.564 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.803 9.632 -6.256 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.248 9.093 -6.860 1.00 0.95 H new ATOM 0 HG LEU A 10 5.051 7.254 -5.286 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.756 7.892 -3.271 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.675 9.268 -3.925 1.00 1.05 H new ATOM 0 HD13 LEU A 10 2.923 9.149 -4.215 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.919 6.128 -4.752 1.00 1.41 H new ATOM 0 HD22 LEU A 10 2.047 7.322 -5.743 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.204 6.206 -6.507 1.00 1.41 H new ATOM 152 N THR A 11 7.319 8.502 -7.745 1.00 0.49 N ATOM 153 CA THR A 11 8.692 8.144 -7.461 1.00 0.47 C ATOM 154 C THR A 11 9.208 8.934 -6.262 1.00 0.53 C ATOM 155 O THR A 11 9.296 10.164 -6.304 1.00 0.66 O ATOM 156 CB THR A 11 9.590 8.408 -8.683 1.00 0.63 C ATOM 157 OG1 THR A 11 8.984 7.844 -9.855 1.00 1.03 O ATOM 158 CG2 THR A 11 10.972 7.804 -8.483 1.00 0.99 C ATOM 0 H THR A 11 7.201 9.429 -8.153 1.00 0.49 H new ATOM 0 HA THR A 11 8.723 7.079 -7.229 1.00 0.47 H new ATOM 0 HB THR A 11 9.699 9.486 -8.805 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.555 8.014 -10.633 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.587 8.004 -9.360 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.439 8.247 -7.603 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.881 6.727 -8.342 1.00 0.99 H new ATOM 166 N VAL A 12 9.527 8.227 -5.193 1.00 0.52 N ATOM 167 CA VAL A 12 10.076 8.850 -4.004 1.00 0.63 C ATOM 168 C VAL A 12 11.538 8.451 -3.837 1.00 0.48 C ATOM 169 O VAL A 12 11.878 7.266 -3.849 1.00 0.57 O ATOM 170 CB VAL A 12 9.258 8.492 -2.736 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.098 6.989 -2.585 1.00 1.45 C ATOM 172 CG2 VAL A 12 9.897 9.091 -1.491 1.00 1.45 C ATOM 0 H VAL A 12 9.414 7.216 -5.125 1.00 0.52 H new ATOM 0 HA VAL A 12 10.014 9.931 -4.130 1.00 0.63 H new ATOM 0 HB VAL A 12 8.264 8.923 -2.854 1.00 0.82 H new ATOM 0 HG11 VAL A 12 8.520 6.773 -1.686 1.00 1.45 H new ATOM 0 HG12 VAL A 12 8.578 6.589 -3.456 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.081 6.525 -2.504 1.00 1.45 H new ATOM 0 HG21 VAL A 12 9.305 8.826 -0.615 1.00 1.45 H new ATOM 0 HG22 VAL A 12 10.908 8.701 -1.377 1.00 1.45 H new ATOM 0 HG23 VAL A 12 9.936 10.176 -1.588 1.00 1.45 H new ATOM 182 N ALA A 13 12.396 9.445 -3.715 1.00 0.44 N ATOM 183 CA ALA A 13 13.824 9.214 -3.622 1.00 0.43 C ATOM 184 C ALA A 13 14.303 9.420 -2.196 1.00 0.45 C ATOM 185 O ALA A 13 14.408 10.555 -1.731 1.00 0.57 O ATOM 186 CB ALA A 13 14.565 10.144 -4.569 1.00 0.59 C ATOM 0 H ALA A 13 12.126 10.428 -3.678 1.00 0.44 H new ATOM 0 HA ALA A 13 14.031 8.183 -3.909 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.637 9.963 -4.492 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.238 9.958 -5.592 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.352 11.179 -4.303 1.00 0.59 H new ATOM 192 N LYS A 14 14.567 8.325 -1.497 1.00 0.43 N ATOM 193 CA LYS A 14 15.044 8.392 -0.125 1.00 0.50 C ATOM 194 C LYS A 14 15.430 7.006 0.373 1.00 0.41 C ATOM 195 O LYS A 14 15.349 6.025 -0.365 1.00 0.41 O ATOM 196 CB LYS A 14 13.986 9.016 0.793 1.00 0.67 C ATOM 197 CG LYS A 14 14.526 10.170 1.624 1.00 1.47 C ATOM 198 CD LYS A 14 13.413 10.982 2.265 1.00 2.23 C ATOM 199 CE LYS A 14 12.488 11.581 1.219 1.00 2.52 C ATOM 200 NZ LYS A 14 11.544 12.565 1.806 1.00 3.42 N ATOM 0 H LYS A 14 14.458 7.378 -1.860 1.00 0.43 H new ATOM 0 HA LYS A 14 15.929 9.028 -0.104 1.00 0.50 H new ATOM 0 HB2 LYS A 14 13.152 9.371 0.188 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.593 8.248 1.460 1.00 0.67 H new ATOM 0 HG2 LYS A 14 15.184 9.780 2.401 1.00 1.47 H new ATOM 0 HG3 LYS A 14 15.130 10.820 0.991 1.00 1.47 H new ATOM 0 HD2 LYS A 14 12.839 10.346 2.939 1.00 2.23 H new ATOM 0 HD3 LYS A 14 13.845 11.779 2.870 1.00 2.23 H new ATOM 0 HE2 LYS A 14 13.083 12.067 0.445 1.00 2.52 H new ATOM 0 HE3 LYS A 14 11.925 10.783 0.734 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 10.932 12.948 1.057 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 10.958 12.097 2.526 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 12.080 13.340 2.246 1.00 3.42 H new ATOM 214 N THR A 15 15.855 6.934 1.622 1.00 0.46 N ATOM 215 CA THR A 15 16.319 5.687 2.200 1.00 0.44 C ATOM 216 C THR A 15 15.308 5.137 3.201 1.00 0.44 C ATOM 217 O THR A 15 14.441 5.865 3.682 1.00 0.50 O ATOM 218 CB THR A 15 17.670 5.892 2.911 1.00 0.49 C ATOM 219 OG1 THR A 15 17.530 6.866 3.954 1.00 0.63 O ATOM 220 CG2 THR A 15 18.733 6.353 1.929 1.00 0.52 C ATOM 0 H THR A 15 15.888 7.731 2.258 1.00 0.46 H new ATOM 0 HA THR A 15 16.438 4.972 1.386 1.00 0.44 H new ATOM 0 HB THR A 15 17.979 4.938 3.338 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.392 6.990 4.403 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.678 6.491 2.454 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.858 5.602 1.149 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.427 7.297 1.478 1.00 0.52 H new ATOM 228 N ARG A 16 15.430 3.855 3.534 1.00 0.40 N ATOM 229 CA ARG A 16 14.558 3.252 4.539 1.00 0.43 C ATOM 230 C ARG A 16 15.063 3.604 5.933 1.00 0.46 C ATOM 231 O ARG A 16 14.486 3.191 6.934 1.00 0.55 O ATOM 232 CB ARG A 16 14.469 1.721 4.397 1.00 0.50 C ATOM 233 CG ARG A 16 14.014 1.224 3.025 1.00 0.57 C ATOM 234 CD ARG A 16 15.165 1.195 2.028 1.00 0.68 C ATOM 235 NE ARG A 16 15.516 -0.163 1.598 1.00 1.22 N ATOM 236 CZ ARG A 16 16.138 -1.075 2.368 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.348 -0.852 3.663 1.00 3.01 N ATOM 238 NH2 ARG A 16 16.533 -2.225 1.852 1.00 3.14 N ATOM 0 H ARG A 16 16.116 3.219 3.128 1.00 0.40 H new ATOM 0 HA ARG A 16 13.557 3.655 4.384 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.448 1.294 4.615 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.780 1.341 5.151 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.591 0.224 3.122 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.222 1.870 2.648 1.00 0.57 H new ATOM 0 HD2 ARG A 16 14.897 1.789 1.154 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.040 1.666 2.477 1.00 0.68 H new ATOM 0 HE ARG A 16 15.271 -0.436 0.646 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.036 0.021 4.087 1.00 3.01 H new ATOM 0 HH12 ARG A 16 16.821 -1.555 4.231 1.00 3.01 H new ATOM 0 HH21 ARG A 16 16.367 -2.425 0.866 1.00 3.14 H new ATOM 0 HH22 ARG A 16 17.004 -2.913 2.440 1.00 3.14 H new ATOM 252 N GLY A 17 16.161 4.354 5.982 1.00 0.47 N ATOM 253 CA GLY A 17 16.705 4.805 7.248 1.00 0.58 C ATOM 254 C GLY A 17 15.944 5.996 7.781 1.00 0.61 C ATOM 255 O GLY A 17 16.036 6.329 8.960 1.00 0.75 O ATOM 0 H GLY A 17 16.685 4.658 5.161 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.666 3.992 7.973 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.755 5.069 7.121 1.00 0.58 H new ATOM 259 N GLN A 18 15.195 6.640 6.892 1.00 0.58 N ATOM 260 CA GLN A 18 14.299 7.722 7.276 1.00 0.70 C ATOM 261 C GLN A 18 13.088 7.131 7.976 1.00 0.64 C ATOM 262 O GLN A 18 12.399 7.797 8.748 1.00 0.72 O ATOM 263 CB GLN A 18 13.832 8.492 6.039 1.00 0.86 C ATOM 264 CG GLN A 18 14.955 8.942 5.119 1.00 1.02 C ATOM 265 CD GLN A 18 15.822 10.027 5.730 1.00 1.49 C ATOM 266 OE1 GLN A 18 15.548 11.217 5.572 1.00 2.00 O ATOM 267 NE2 GLN A 18 16.877 9.625 6.422 1.00 2.17 N ATOM 0 H GLN A 18 15.192 6.428 5.894 1.00 0.58 H new ATOM 0 HA GLN A 18 14.829 8.405 7.940 1.00 0.70 H new ATOM 0 HB2 GLN A 18 13.145 7.864 5.473 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.270 9.368 6.362 1.00 0.86 H new ATOM 0 HG2 GLN A 18 15.579 8.084 4.869 1.00 1.02 H new ATOM 0 HG3 GLN A 18 14.528 9.308 4.185 1.00 1.02 H new ATOM 0 HE21 GLN A 18 17.068 8.629 6.529 1.00 2.17 H new ATOM 0 HE22 GLN A 18 17.499 10.312 6.849 1.00 2.17 H new ATOM 276 N LEU A 19 12.849 5.862 7.690 1.00 0.60 N ATOM 277 CA LEU A 19 11.692 5.158 8.196 1.00 0.62 C ATOM 278 C LEU A 19 11.977 4.553 9.565 1.00 0.78 C ATOM 279 O LEU A 19 12.536 3.463 9.671 1.00 1.61 O ATOM 280 CB LEU A 19 11.292 4.054 7.218 1.00 0.62 C ATOM 281 CG LEU A 19 10.923 4.517 5.810 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.794 3.324 4.874 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.627 5.299 5.844 1.00 0.89 C ATOM 0 H LEU A 19 13.456 5.294 7.099 1.00 0.60 H new ATOM 0 HA LEU A 19 10.874 5.871 8.299 1.00 0.62 H new ATOM 0 HB2 LEU A 19 12.116 3.345 7.143 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.443 3.513 7.637 1.00 0.62 H new ATOM 0 HG LEU A 19 11.716 5.164 5.436 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.531 3.672 3.875 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.743 2.789 4.833 1.00 0.92 H new ATOM 0 HD13 LEU A 19 10.016 2.655 5.242 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.372 5.625 4.836 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.830 4.665 6.233 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.745 6.170 6.488 1.00 0.89 H new ATOM 295 N THR A 20 11.595 5.269 10.607 1.00 0.68 N ATOM 296 CA THR A 20 11.743 4.790 11.966 1.00 0.69 C ATOM 297 C THR A 20 10.394 4.277 12.463 1.00 0.66 C ATOM 298 O THR A 20 9.752 4.888 13.320 1.00 0.73 O ATOM 299 CB THR A 20 12.268 5.911 12.889 1.00 0.80 C ATOM 300 OG1 THR A 20 13.403 6.539 12.274 1.00 1.51 O ATOM 301 CG2 THR A 20 12.678 5.357 14.245 1.00 1.65 C ATOM 0 H THR A 20 11.175 6.196 10.534 1.00 0.68 H new ATOM 0 HA THR A 20 12.470 3.978 11.983 1.00 0.69 H new ATOM 0 HB THR A 20 11.468 6.636 13.039 1.00 0.80 H new ATOM 0 HG1 THR A 20 13.738 7.252 12.857 1.00 1.51 H new ATOM 0 HG21 THR A 20 13.044 6.169 14.874 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.817 4.888 14.722 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.467 4.617 14.112 1.00 1.65 H new ATOM 309 N ASP A 21 9.960 3.170 11.858 1.00 0.61 N ATOM 310 CA ASP A 21 8.645 2.562 12.111 1.00 0.61 C ATOM 311 C ASP A 21 7.519 3.438 11.557 1.00 0.58 C ATOM 312 O ASP A 21 6.795 3.034 10.648 1.00 0.73 O ATOM 313 CB ASP A 21 8.423 2.277 13.598 1.00 0.69 C ATOM 314 CG ASP A 21 7.068 1.653 13.866 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.859 0.487 13.475 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.212 2.322 14.481 1.00 1.83 O ATOM 0 H ASP A 21 10.515 2.662 11.170 1.00 0.61 H new ATOM 0 HA ASP A 21 8.629 1.606 11.588 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.206 1.610 13.959 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.511 3.206 14.161 1.00 0.69 H new ATOM 321 N ALA A 22 7.387 4.642 12.080 1.00 0.65 N ATOM 322 CA ALA A 22 6.352 5.551 11.625 1.00 0.68 C ATOM 323 C ALA A 22 6.960 6.769 10.946 1.00 0.62 C ATOM 324 O ALA A 22 7.409 7.703 11.611 1.00 0.72 O ATOM 325 CB ALA A 22 5.460 5.969 12.783 1.00 0.82 C ATOM 0 H ALA A 22 7.983 5.013 12.820 1.00 0.65 H new ATOM 0 HA ALA A 22 5.738 5.028 10.892 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.690 6.651 12.422 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.989 5.087 13.216 1.00 0.82 H new ATOM 0 HB3 ALA A 22 6.060 6.470 13.542 1.00 0.82 H new ATOM 331 N ALA A 23 7.005 6.740 9.621 1.00 0.59 N ATOM 332 CA ALA A 23 7.530 7.857 8.846 1.00 0.59 C ATOM 333 C ALA A 23 6.931 7.880 7.440 1.00 0.64 C ATOM 334 O ALA A 23 7.426 7.212 6.541 1.00 0.79 O ATOM 335 CB ALA A 23 9.051 7.793 8.775 1.00 0.71 C ATOM 0 H ALA A 23 6.683 5.952 9.058 1.00 0.59 H new ATOM 0 HA ALA A 23 7.244 8.779 9.351 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.424 8.635 8.192 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.464 7.837 9.783 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.354 6.860 8.299 1.00 0.71 H new ATOM 341 N PRO A 24 5.823 8.613 7.252 1.00 0.62 N ATOM 342 CA PRO A 24 5.181 8.784 5.943 1.00 0.72 C ATOM 343 C PRO A 24 6.074 9.524 4.950 1.00 0.78 C ATOM 344 O PRO A 24 5.950 10.735 4.750 1.00 1.12 O ATOM 345 CB PRO A 24 3.921 9.602 6.255 1.00 0.79 C ATOM 346 CG PRO A 24 4.207 10.254 7.564 1.00 0.75 C ATOM 347 CD PRO A 24 5.085 9.294 8.312 1.00 0.63 C ATOM 0 HA PRO A 24 4.967 7.825 5.470 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.727 10.342 5.478 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.039 8.964 6.315 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.706 11.213 7.423 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.286 10.451 8.113 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.754 9.813 8.998 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.499 8.594 8.907 1.00 0.63 H new ATOM 355 N ILE A 25 6.994 8.787 4.358 1.00 0.58 N ATOM 356 CA ILE A 25 7.918 9.349 3.382 1.00 0.64 C ATOM 357 C ILE A 25 7.228 9.705 2.068 1.00 0.59 C ATOM 358 O ILE A 25 7.319 10.841 1.606 1.00 0.95 O ATOM 359 CB ILE A 25 9.099 8.401 3.105 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.628 6.950 3.002 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.164 8.546 4.183 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.673 6.390 1.596 1.00 2.58 C ATOM 0 H ILE A 25 7.125 7.791 4.535 1.00 0.58 H new ATOM 0 HA ILE A 25 8.300 10.268 3.826 1.00 0.64 H new ATOM 0 HB ILE A 25 9.538 8.679 2.147 1.00 0.92 H new ATOM 0 HG12 ILE A 25 9.248 6.330 3.650 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.607 6.882 3.377 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.991 7.868 3.971 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.530 9.573 4.197 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.734 8.301 5.154 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.324 5.357 1.604 1.00 2.58 H new ATOM 0 HD12 ILE A 25 8.030 6.985 0.947 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.697 6.424 1.223 1.00 2.58 H new ATOM 374 N GLY A 26 6.526 8.746 1.475 1.00 0.62 N ATOM 375 CA GLY A 26 5.886 8.994 0.197 1.00 0.74 C ATOM 376 C GLY A 26 4.397 8.698 0.205 1.00 0.56 C ATOM 377 O GLY A 26 3.953 7.786 -0.485 1.00 0.65 O ATOM 0 H GLY A 26 6.389 7.808 1.853 1.00 0.62 H new ATOM 0 HA2 GLY A 26 6.041 10.036 -0.083 1.00 0.74 H new ATOM 0 HA3 GLY A 26 6.367 8.383 -0.567 1.00 0.74 H new ATOM 381 N PRO A 27 3.605 9.438 1.005 1.00 0.48 N ATOM 382 CA PRO A 27 2.141 9.357 0.997 1.00 0.44 C ATOM 383 C PRO A 27 1.549 9.394 -0.410 1.00 0.48 C ATOM 384 O PRO A 27 1.610 10.413 -1.099 1.00 0.61 O ATOM 385 CB PRO A 27 1.701 10.602 1.792 1.00 0.51 C ATOM 386 CG PRO A 27 2.951 11.395 2.015 1.00 0.66 C ATOM 387 CD PRO A 27 4.060 10.391 2.014 1.00 0.67 C ATOM 0 HA PRO A 27 1.796 8.415 1.422 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.962 11.181 1.238 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.240 10.321 2.739 1.00 0.51 H new ATOM 0 HG2 PRO A 27 3.092 12.137 1.229 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.911 11.936 2.961 1.00 0.66 H new ATOM 0 HD2 PRO A 27 5.017 10.840 1.749 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.187 9.922 2.990 1.00 0.67 H new ATOM 395 N VAL A 28 0.984 8.275 -0.828 1.00 0.45 N ATOM 396 CA VAL A 28 0.322 8.190 -2.116 1.00 0.54 C ATOM 397 C VAL A 28 -1.114 8.683 -1.992 1.00 0.57 C ATOM 398 O VAL A 28 -1.823 8.351 -1.038 1.00 0.58 O ATOM 399 CB VAL A 28 0.357 6.746 -2.682 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.236 5.750 -1.697 1.00 1.18 C ATOM 401 CG2 VAL A 28 -0.361 6.666 -4.022 1.00 1.07 C ATOM 0 H VAL A 28 0.971 7.409 -0.290 1.00 0.45 H new ATOM 0 HA VAL A 28 0.860 8.827 -2.818 1.00 0.54 H new ATOM 0 HB VAL A 28 1.403 6.482 -2.838 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.196 4.748 -2.124 1.00 1.18 H new ATOM 0 HG12 VAL A 28 0.336 5.772 -0.769 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.273 6.016 -1.491 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -0.321 5.643 -4.396 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -1.401 6.966 -3.896 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.125 7.332 -4.735 1.00 1.07 H new ATOM 411 N THR A 29 -1.529 9.507 -2.936 1.00 0.61 N ATOM 412 CA THR A 29 -2.862 10.067 -2.910 1.00 0.67 C ATOM 413 C THR A 29 -3.851 9.149 -3.630 1.00 0.65 C ATOM 414 O THR A 29 -3.878 9.064 -4.860 1.00 0.75 O ATOM 415 CB THR A 29 -2.890 11.501 -3.505 1.00 0.79 C ATOM 416 OG1 THR A 29 -4.224 12.026 -3.486 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.336 11.538 -4.926 1.00 1.37 C ATOM 0 H THR A 29 -0.960 9.802 -3.730 1.00 0.61 H new ATOM 0 HA THR A 29 -3.170 10.144 -1.867 1.00 0.67 H new ATOM 0 HB THR A 29 -2.249 12.123 -2.881 1.00 0.79 H new ATOM 0 HG1 THR A 29 -4.698 11.687 -2.698 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.374 12.559 -5.305 1.00 1.37 H new ATOM 0 HG22 THR A 29 -1.303 11.190 -4.923 1.00 1.37 H new ATOM 0 HG23 THR A 29 -2.935 10.891 -5.567 1.00 1.37 H new ATOM 425 N VAL A 30 -4.631 8.422 -2.845 1.00 0.62 N ATOM 426 CA VAL A 30 -5.675 7.569 -3.389 1.00 0.61 C ATOM 427 C VAL A 30 -7.001 8.303 -3.394 1.00 0.62 C ATOM 428 O VAL A 30 -7.529 8.652 -2.345 1.00 0.87 O ATOM 429 CB VAL A 30 -5.822 6.261 -2.589 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.107 5.533 -2.958 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.621 5.359 -2.835 1.00 1.01 C ATOM 0 H VAL A 30 -4.560 8.406 -1.828 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.386 7.315 -4.409 1.00 0.61 H new ATOM 0 HB VAL A 30 -5.868 6.515 -1.530 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.184 4.614 -2.378 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.963 6.172 -2.740 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.096 5.291 -4.021 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.735 4.437 -2.265 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.555 5.123 -3.897 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.711 5.870 -2.520 1.00 1.01 H new ATOM 441 N GLN A 31 -7.523 8.525 -4.578 1.00 0.49 N ATOM 442 CA GLN A 31 -8.779 9.232 -4.752 1.00 0.52 C ATOM 443 C GLN A 31 -9.906 8.242 -5.032 1.00 0.49 C ATOM 444 O GLN A 31 -9.815 7.427 -5.945 1.00 0.54 O ATOM 445 CB GLN A 31 -8.638 10.235 -5.897 1.00 0.62 C ATOM 446 CG GLN A 31 -9.920 10.955 -6.272 1.00 1.15 C ATOM 447 CD GLN A 31 -9.708 11.904 -7.432 1.00 1.59 C ATOM 448 OE1 GLN A 31 -9.829 11.517 -8.591 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.385 13.150 -7.131 1.00 1.86 N ATOM 0 H GLN A 31 -7.091 8.222 -5.451 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.025 9.772 -3.838 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -7.888 10.977 -5.622 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.261 9.712 -6.776 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -10.685 10.224 -6.534 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.292 11.510 -5.411 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.294 13.432 -6.155 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.226 13.830 -7.875 1.00 1.86 H new ATOM 458 N ALA A 32 -10.956 8.305 -4.230 1.00 0.53 N ATOM 459 CA ALA A 32 -12.092 7.407 -4.381 1.00 0.54 C ATOM 460 C ALA A 32 -13.320 8.192 -4.819 1.00 0.56 C ATOM 461 O ALA A 32 -13.823 9.034 -4.075 1.00 0.70 O ATOM 462 CB ALA A 32 -12.357 6.673 -3.075 1.00 0.61 C ATOM 0 H ALA A 32 -11.046 8.972 -3.464 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.863 6.667 -5.148 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.209 6.004 -3.200 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.477 6.092 -2.799 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.576 7.396 -2.289 1.00 0.61 H new ATOM 468 N LEU A 33 -13.788 7.927 -6.029 1.00 0.54 N ATOM 469 CA LEU A 33 -14.894 8.685 -6.599 1.00 0.64 C ATOM 470 C LEU A 33 -16.195 7.891 -6.589 1.00 0.75 C ATOM 471 O LEU A 33 -16.344 6.906 -7.319 1.00 0.84 O ATOM 472 CB LEU A 33 -14.552 9.111 -8.027 1.00 0.74 C ATOM 473 CG LEU A 33 -13.497 10.213 -8.138 1.00 1.28 C ATOM 474 CD1 LEU A 33 -13.228 10.548 -9.595 1.00 1.90 C ATOM 475 CD2 LEU A 33 -13.936 11.454 -7.374 1.00 1.94 C ATOM 0 H LEU A 33 -13.421 7.194 -6.636 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.044 9.568 -5.978 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -14.202 8.237 -8.577 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -15.464 9.452 -8.517 1.00 0.74 H new ATOM 0 HG LEU A 33 -12.571 9.848 -7.693 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -12.475 11.334 -9.655 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -12.867 9.659 -10.112 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -14.149 10.892 -10.065 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -13.172 12.226 -7.465 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.875 11.822 -7.787 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.075 11.204 -6.322 1.00 1.94 H new ATOM 487 N GLY A 34 -17.133 8.340 -5.762 1.00 0.85 N ATOM 488 CA GLY A 34 -18.460 7.755 -5.731 1.00 1.06 C ATOM 489 C GLY A 34 -18.488 6.367 -5.128 1.00 0.98 C ATOM 490 O GLY A 34 -18.961 5.425 -5.760 1.00 1.81 O ATOM 0 H GLY A 34 -16.994 9.108 -5.105 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.123 8.405 -5.160 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.854 7.711 -6.746 1.00 1.06 H new ATOM 494 N CYS A 35 -17.983 6.233 -3.908 1.00 0.96 N ATOM 495 CA CYS A 35 -17.981 4.942 -3.231 1.00 0.86 C ATOM 496 C CYS A 35 -19.294 4.729 -2.475 1.00 0.96 C ATOM 497 O CYS A 35 -19.918 3.671 -2.594 1.00 1.88 O ATOM 498 CB CYS A 35 -16.802 4.825 -2.262 1.00 0.84 C ATOM 499 SG CYS A 35 -15.131 4.761 -3.013 1.00 1.18 S ATOM 0 H CYS A 35 -17.572 6.996 -3.370 1.00 0.96 H new ATOM 0 HA CYS A 35 -17.878 4.171 -3.994 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.837 5.673 -1.578 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.941 3.926 -1.662 1.00 0.84 H new ATOM 504 N ASN A 36 -19.688 5.739 -1.687 1.00 0.79 N ATOM 505 CA ASN A 36 -20.964 5.751 -0.949 1.00 0.72 C ATOM 506 C ASN A 36 -20.979 4.764 0.220 1.00 0.69 C ATOM 507 O ASN A 36 -21.077 5.167 1.378 1.00 0.80 O ATOM 508 CB ASN A 36 -22.141 5.467 -1.894 1.00 0.76 C ATOM 509 CG ASN A 36 -23.479 5.390 -1.180 1.00 1.29 C ATOM 510 OD1 ASN A 36 -23.726 6.094 -0.200 1.00 1.75 O ATOM 511 ND2 ASN A 36 -24.346 4.513 -1.657 1.00 2.14 N ATOM 0 H ASN A 36 -19.127 6.579 -1.541 1.00 0.79 H new ATOM 0 HA ASN A 36 -21.071 6.751 -0.529 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.186 6.249 -2.652 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -21.961 4.527 -2.416 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -25.256 4.402 -1.211 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -24.104 3.948 -2.471 1.00 2.14 H new ATOM 518 N ALA A 37 -20.875 3.485 -0.092 1.00 0.65 N ATOM 519 CA ALA A 37 -20.951 2.428 0.907 1.00 0.74 C ATOM 520 C ALA A 37 -20.030 1.290 0.501 1.00 0.70 C ATOM 521 O ALA A 37 -20.471 0.219 0.083 1.00 0.94 O ATOM 522 CB ALA A 37 -22.384 1.937 1.064 1.00 0.93 C ATOM 0 H ALA A 37 -20.735 3.147 -1.044 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.630 2.820 1.872 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.418 1.148 1.815 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.020 2.765 1.378 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.741 1.547 0.111 1.00 0.93 H new ATOM 528 N ARG A 38 -18.742 1.547 0.605 1.00 0.59 N ATOM 529 CA ARG A 38 -17.741 0.656 0.053 1.00 0.61 C ATOM 530 C ARG A 38 -16.481 0.649 0.913 1.00 0.50 C ATOM 531 O ARG A 38 -15.990 1.706 1.310 1.00 0.50 O ATOM 532 CB ARG A 38 -17.420 1.150 -1.354 1.00 0.71 C ATOM 533 CG ARG A 38 -16.467 0.289 -2.155 1.00 0.98 C ATOM 534 CD ARG A 38 -16.200 0.956 -3.491 1.00 2.02 C ATOM 535 NE ARG A 38 -15.202 0.264 -4.300 1.00 2.78 N ATOM 536 CZ ARG A 38 -14.057 0.822 -4.688 1.00 3.70 C ATOM 537 NH1 ARG A 38 -13.708 2.017 -4.221 1.00 4.05 N ATOM 538 NH2 ARG A 38 -13.252 0.184 -5.531 1.00 4.64 N ATOM 0 H ARG A 38 -18.362 2.371 1.070 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.119 -0.366 0.029 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.354 1.238 -1.909 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -16.998 2.152 -1.279 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -15.533 0.153 -1.609 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.894 -0.702 -2.308 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -17.133 1.014 -4.051 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -15.868 1.980 -3.317 1.00 2.02 H new ATOM 0 HE ARG A 38 -15.391 -0.697 -4.583 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -14.317 2.506 -3.566 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -12.831 2.444 -4.518 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -13.510 -0.738 -5.884 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -12.376 0.616 -5.825 1.00 4.64 H new ATOM 552 N GLN A 39 -15.972 -0.540 1.207 1.00 0.48 N ATOM 553 CA GLN A 39 -14.735 -0.681 1.952 1.00 0.42 C ATOM 554 C GLN A 39 -13.546 -0.547 1.002 1.00 0.42 C ATOM 555 O GLN A 39 -13.178 -1.500 0.312 1.00 0.62 O ATOM 556 CB GLN A 39 -14.707 -2.039 2.657 1.00 0.47 C ATOM 557 CG GLN A 39 -15.968 -2.311 3.469 1.00 0.64 C ATOM 558 CD GLN A 39 -16.079 -3.744 3.956 1.00 0.87 C ATOM 559 OE1 GLN A 39 -14.952 -4.367 4.251 1.00 1.75 O flip ATOM 560 NE2 GLN A 39 -17.181 -4.282 4.077 1.00 1.40 N flip ATOM 0 H GLN A 39 -16.403 -1.424 0.937 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.672 0.104 2.706 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.583 -2.826 1.914 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.840 -2.083 3.316 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.988 -1.641 4.329 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.840 -2.074 2.860 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -18.029 -3.767 3.839 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.245 -5.242 4.416 1.00 1.40 H new ATOM 569 N VAL A 40 -12.988 0.652 0.941 1.00 0.36 N ATOM 570 CA VAL A 40 -11.860 0.932 0.061 1.00 0.38 C ATOM 571 C VAL A 40 -10.590 0.299 0.612 1.00 0.35 C ATOM 572 O VAL A 40 -10.138 0.652 1.701 1.00 0.41 O ATOM 573 CB VAL A 40 -11.642 2.450 -0.110 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.515 2.734 -1.093 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.930 3.127 -0.557 1.00 0.54 C ATOM 0 H VAL A 40 -13.299 1.452 1.493 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.090 0.503 -0.914 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.354 2.861 0.857 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.383 3.811 -1.194 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.591 2.288 -0.725 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.763 2.306 -2.064 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.757 4.197 -0.672 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.250 2.706 -1.510 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.706 2.963 0.191 1.00 0.54 H new ATOM 585 N ALA A 41 -10.026 -0.634 -0.145 1.00 0.29 N ATOM 586 CA ALA A 41 -8.862 -1.373 0.292 1.00 0.28 C ATOM 587 C ALA A 41 -7.691 -1.152 -0.652 1.00 0.26 C ATOM 588 O ALA A 41 -7.875 -0.964 -1.856 1.00 0.35 O ATOM 589 CB ALA A 41 -9.180 -2.858 0.384 1.00 0.36 C ATOM 0 H ALA A 41 -10.364 -0.894 -1.072 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.583 -1.007 1.280 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.294 -3.400 0.714 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.988 -3.013 1.099 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.486 -3.226 -0.595 1.00 0.36 H new ATOM 595 N LEU A 42 -6.494 -1.188 -0.102 1.00 0.27 N ATOM 596 CA LEU A 42 -5.287 -1.075 -0.895 1.00 0.31 C ATOM 597 C LEU A 42 -4.669 -2.451 -1.058 1.00 0.31 C ATOM 598 O LEU A 42 -4.249 -3.069 -0.083 1.00 0.48 O ATOM 599 CB LEU A 42 -4.293 -0.136 -0.213 1.00 0.39 C ATOM 600 CG LEU A 42 -4.878 1.206 0.224 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.848 2.008 1.001 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.378 1.993 -0.981 1.00 0.84 C ATOM 0 H LEU A 42 -6.331 -1.296 0.899 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.535 -0.666 -1.874 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.880 -0.639 0.662 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.463 0.050 -0.895 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.727 1.013 0.879 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.282 2.961 1.304 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.544 1.449 1.886 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -2.978 2.190 0.371 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.791 2.945 -0.648 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.550 2.176 -1.665 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.152 1.421 -1.493 1.00 0.84 H new ATOM 614 N LYS A 43 -4.658 -2.941 -2.284 1.00 0.34 N ATOM 615 CA LYS A 43 -4.130 -4.264 -2.565 1.00 0.37 C ATOM 616 C LYS A 43 -2.776 -4.141 -3.219 1.00 0.38 C ATOM 617 O LYS A 43 -2.631 -3.450 -4.224 1.00 0.53 O ATOM 618 CB LYS A 43 -5.054 -5.064 -3.497 1.00 0.42 C ATOM 619 CG LYS A 43 -6.471 -5.260 -2.984 1.00 0.49 C ATOM 620 CD LYS A 43 -7.264 -3.962 -3.028 1.00 1.00 C ATOM 621 CE LYS A 43 -8.723 -4.173 -2.688 1.00 1.29 C ATOM 622 NZ LYS A 43 -9.432 -4.909 -3.761 1.00 1.93 N ATOM 0 H LYS A 43 -5.009 -2.443 -3.102 1.00 0.34 H new ATOM 0 HA LYS A 43 -4.054 -4.794 -1.615 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.100 -4.557 -4.461 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.609 -6.043 -3.672 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.975 -6.016 -3.585 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -6.440 -5.634 -1.961 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.829 -3.248 -2.328 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -7.184 -3.523 -4.022 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.803 -4.726 -1.752 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -9.204 -3.208 -2.529 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -10.378 -5.184 -3.427 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -9.524 -4.299 -4.598 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.892 -5.762 -4.012 1.00 1.93 H new ATOM 636 N ALA A 44 -1.789 -4.792 -2.654 1.00 0.36 N ATOM 637 CA ALA A 44 -0.487 -4.821 -3.272 1.00 0.37 C ATOM 638 C ALA A 44 -0.499 -5.796 -4.433 1.00 0.34 C ATOM 639 O ALA A 44 -1.163 -6.831 -4.376 1.00 0.36 O ATOM 640 CB ALA A 44 0.572 -5.199 -2.262 1.00 0.41 C ATOM 0 H ALA A 44 -1.861 -5.305 -1.775 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.247 -3.827 -3.649 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.548 -5.216 -2.747 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.581 -4.468 -1.453 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.352 -6.186 -1.856 1.00 0.41 H new ATOM 646 N ASP A 45 0.209 -5.459 -5.490 1.00 0.36 N ATOM 647 CA ASP A 45 0.293 -6.339 -6.642 1.00 0.39 C ATOM 648 C ASP A 45 1.236 -7.484 -6.319 1.00 0.37 C ATOM 649 O ASP A 45 2.183 -7.296 -5.560 1.00 0.35 O ATOM 650 CB ASP A 45 0.775 -5.579 -7.876 1.00 0.45 C ATOM 651 CG ASP A 45 0.741 -6.437 -9.125 1.00 0.57 C ATOM 652 OD1 ASP A 45 -0.352 -6.632 -9.693 1.00 0.71 O ATOM 653 OD2 ASP A 45 1.812 -6.919 -9.545 1.00 0.64 O ATOM 0 H ASP A 45 0.733 -4.588 -5.578 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.698 -6.733 -6.866 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.151 -4.698 -8.025 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.792 -5.224 -7.708 1.00 0.45 H new ATOM 658 N THR A 46 0.980 -8.657 -6.891 1.00 0.47 N ATOM 659 CA THR A 46 1.716 -9.872 -6.545 1.00 0.55 C ATOM 660 C THR A 46 3.233 -9.725 -6.734 1.00 0.47 C ATOM 661 O THR A 46 4.005 -10.522 -6.197 1.00 0.56 O ATOM 662 CB THR A 46 1.203 -11.086 -7.348 1.00 0.76 C ATOM 663 OG1 THR A 46 1.922 -12.266 -6.970 1.00 1.40 O ATOM 664 CG2 THR A 46 1.343 -10.857 -8.846 1.00 0.99 C ATOM 0 H THR A 46 0.262 -8.793 -7.603 1.00 0.47 H new ATOM 0 HA THR A 46 1.533 -10.041 -5.484 1.00 0.55 H new ATOM 0 HB THR A 46 0.145 -11.216 -7.119 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.751 -12.012 -6.514 1.00 1.40 H new ATOM 0 HG21 THR A 46 0.973 -11.730 -9.384 1.00 0.99 H new ATOM 0 HG22 THR A 46 0.764 -9.980 -9.136 1.00 0.99 H new ATOM 0 HG23 THR A 46 2.392 -10.697 -9.093 1.00 0.99 H new ATOM 672 N ASP A 47 3.657 -8.706 -7.476 1.00 0.42 N ATOM 673 CA ASP A 47 5.080 -8.418 -7.642 1.00 0.50 C ATOM 674 C ASP A 47 5.714 -8.076 -6.290 1.00 0.43 C ATOM 675 O ASP A 47 6.879 -8.383 -6.035 1.00 0.47 O ATOM 676 CB ASP A 47 5.269 -7.261 -8.630 1.00 0.66 C ATOM 677 CG ASP A 47 6.722 -7.012 -8.982 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.351 -7.900 -9.585 1.00 1.72 O ATOM 679 OD2 ASP A 47 7.246 -5.928 -8.640 1.00 2.22 O ATOM 0 H ASP A 47 3.037 -8.066 -7.972 1.00 0.42 H new ATOM 0 HA ASP A 47 5.575 -9.303 -8.041 1.00 0.50 H new ATOM 0 HB2 ASP A 47 4.712 -7.475 -9.542 1.00 0.66 H new ATOM 0 HB3 ASP A 47 4.844 -6.353 -8.203 1.00 0.66 H new ATOM 684 N ASN A 48 4.917 -7.474 -5.414 1.00 0.38 N ATOM 685 CA ASN A 48 5.353 -7.102 -4.072 1.00 0.39 C ATOM 686 C ASN A 48 4.344 -7.622 -3.045 1.00 0.37 C ATOM 687 O ASN A 48 4.240 -7.101 -1.933 1.00 0.42 O ATOM 688 CB ASN A 48 5.497 -5.574 -3.956 1.00 0.50 C ATOM 689 CG ASN A 48 4.221 -4.833 -4.300 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.933 -4.580 -5.469 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.463 -4.453 -3.287 1.00 1.19 N ATOM 0 H ASN A 48 3.947 -7.229 -5.615 1.00 0.38 H new ATOM 0 HA ASN A 48 6.327 -7.551 -3.877 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.797 -5.319 -2.940 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.296 -5.238 -4.618 1.00 0.50 H new ATOM 0 HD21 ASN A 48 2.604 -3.930 -3.460 1.00 1.19 H new ATOM 0 HD22 ASN A 48 3.736 -4.682 -2.331 1.00 1.19 H new ATOM 698 N PHE A 49 3.620 -8.668 -3.439 1.00 0.35 N ATOM 699 CA PHE A 49 2.589 -9.285 -2.604 1.00 0.36 C ATOM 700 C PHE A 49 2.754 -10.800 -2.643 1.00 0.38 C ATOM 701 O PHE A 49 2.486 -11.433 -3.666 1.00 0.39 O ATOM 702 CB PHE A 49 1.198 -8.886 -3.131 1.00 0.38 C ATOM 703 CG PHE A 49 0.000 -9.431 -2.384 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.350 -10.771 -2.469 1.00 0.51 C ATOM 705 CD2 PHE A 49 -0.804 -8.587 -1.631 1.00 0.39 C ATOM 706 CE1 PHE A 49 -1.467 -11.258 -1.815 1.00 0.56 C ATOM 707 CE2 PHE A 49 -1.923 -9.069 -0.982 1.00 0.42 C ATOM 708 CZ PHE A 49 -2.255 -10.403 -1.072 1.00 0.46 C ATOM 0 H PHE A 49 3.732 -9.114 -4.350 1.00 0.35 H new ATOM 0 HA PHE A 49 2.688 -8.942 -1.574 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.133 -7.798 -3.128 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.124 -9.207 -4.170 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.259 -11.444 -3.055 1.00 0.51 H new ATOM 0 HD2 PHE A 49 -0.551 -7.540 -1.552 1.00 0.39 H new ATOM 0 HE1 PHE A 49 -1.722 -12.305 -1.886 1.00 0.56 H new ATOM 0 HE2 PHE A 49 -2.540 -8.398 -0.402 1.00 0.42 H new ATOM 0 HZ PHE A 49 -3.130 -10.779 -0.562 1.00 0.46 H new ATOM 718 N GLU A 50 3.210 -11.377 -1.544 1.00 0.44 N ATOM 719 CA GLU A 50 3.363 -12.821 -1.462 1.00 0.52 C ATOM 720 C GLU A 50 2.443 -13.394 -0.390 1.00 0.52 C ATOM 721 O GLU A 50 2.558 -13.047 0.789 1.00 0.54 O ATOM 722 CB GLU A 50 4.827 -13.208 -1.199 1.00 0.65 C ATOM 723 CG GLU A 50 5.436 -12.569 0.039 1.00 1.22 C ATOM 724 CD GLU A 50 6.883 -12.971 0.245 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.781 -12.304 -0.310 1.00 2.41 O ATOM 726 OE2 GLU A 50 7.136 -13.957 0.961 1.00 2.15 O ATOM 0 H GLU A 50 3.480 -10.872 -0.700 1.00 0.44 H new ATOM 0 HA GLU A 50 3.077 -13.250 -2.422 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.891 -14.292 -1.102 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.425 -12.930 -2.067 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.372 -11.484 -0.047 1.00 1.22 H new ATOM 0 HG3 GLU A 50 4.854 -12.855 0.915 1.00 1.22 H new ATOM 733 N GLN A 51 1.498 -14.232 -0.830 1.00 0.63 N ATOM 734 CA GLN A 51 0.530 -14.909 0.049 1.00 0.76 C ATOM 735 C GLN A 51 -0.508 -13.934 0.609 1.00 0.72 C ATOM 736 O GLN A 51 -1.713 -14.167 0.514 1.00 1.07 O ATOM 737 CB GLN A 51 1.233 -15.641 1.201 1.00 0.87 C ATOM 738 CG GLN A 51 2.197 -16.721 0.742 1.00 1.71 C ATOM 739 CD GLN A 51 2.750 -17.540 1.894 1.00 2.56 C ATOM 740 OE1 GLN A 51 2.898 -17.049 3.015 1.00 2.92 O ATOM 741 NE2 GLN A 51 3.051 -18.799 1.623 1.00 3.43 N ATOM 0 H GLN A 51 1.380 -14.464 -1.816 1.00 0.63 H new ATOM 0 HA GLN A 51 0.012 -15.644 -0.567 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.777 -14.913 1.803 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.479 -16.090 1.848 1.00 0.87 H new ATOM 0 HG2 GLN A 51 1.688 -17.383 0.042 1.00 1.71 H new ATOM 0 HG3 GLN A 51 3.023 -16.259 0.201 1.00 1.71 H new ATOM 0 HE21 GLN A 51 2.913 -19.165 0.681 1.00 3.43 H new ATOM 0 HE22 GLN A 51 3.421 -19.404 2.356 1.00 3.43 H new ATOM 750 N GLY A 52 -0.030 -12.848 1.183 1.00 0.56 N ATOM 751 CA GLY A 52 -0.896 -11.874 1.806 1.00 0.52 C ATOM 752 C GLY A 52 -0.091 -10.868 2.589 1.00 0.48 C ATOM 753 O GLY A 52 -0.532 -10.364 3.619 1.00 0.52 O ATOM 0 H GLY A 52 0.963 -12.619 1.229 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.484 -11.363 1.044 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.601 -12.377 2.468 1.00 0.52 H new ATOM 757 N LYS A 53 1.115 -10.613 2.107 1.00 0.47 N ATOM 758 CA LYS A 53 2.015 -9.641 2.706 1.00 0.47 C ATOM 759 C LYS A 53 2.528 -8.711 1.631 1.00 0.42 C ATOM 760 O LYS A 53 2.829 -9.152 0.521 1.00 0.41 O ATOM 761 CB LYS A 53 3.219 -10.318 3.362 1.00 0.53 C ATOM 762 CG LYS A 53 3.013 -10.781 4.799 1.00 1.01 C ATOM 763 CD LYS A 53 1.944 -11.843 4.912 1.00 0.65 C ATOM 764 CE LYS A 53 1.828 -12.365 6.332 1.00 1.27 C ATOM 765 NZ LYS A 53 0.653 -13.259 6.510 1.00 2.12 N ATOM 0 H LYS A 53 1.499 -11.078 1.284 1.00 0.47 H new ATOM 0 HA LYS A 53 1.458 -9.097 3.468 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.501 -11.181 2.758 1.00 0.53 H new ATOM 0 HB3 LYS A 53 4.060 -9.624 3.340 1.00 0.53 H new ATOM 0 HG2 LYS A 53 3.952 -11.171 5.191 1.00 1.01 H new ATOM 0 HG3 LYS A 53 2.740 -9.926 5.418 1.00 1.01 H new ATOM 0 HD2 LYS A 53 0.986 -11.432 4.595 1.00 0.65 H new ATOM 0 HD3 LYS A 53 2.176 -12.667 4.238 1.00 0.65 H new ATOM 0 HE2 LYS A 53 2.737 -12.907 6.593 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.750 -11.524 7.021 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 0.615 -13.591 7.495 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 -0.218 -12.736 6.287 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 0.739 -14.076 5.873 1.00 2.12 H new ATOM 779 N PHE A 54 2.634 -7.438 1.950 1.00 0.44 N ATOM 780 CA PHE A 54 3.179 -6.491 1.009 1.00 0.41 C ATOM 781 C PHE A 54 4.408 -5.798 1.562 1.00 0.39 C ATOM 782 O PHE A 54 4.541 -5.585 2.769 1.00 0.44 O ATOM 783 CB PHE A 54 2.119 -5.499 0.528 1.00 0.43 C ATOM 784 CG PHE A 54 1.263 -4.831 1.583 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.758 -4.501 2.834 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.061 -4.529 1.295 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.949 -3.887 3.774 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.872 -3.915 2.228 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.366 -3.593 3.469 1.00 0.51 C ATOM 0 H PHE A 54 2.352 -7.041 2.846 1.00 0.44 H new ATOM 0 HA PHE A 54 3.503 -7.051 0.132 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.622 -4.718 -0.042 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.457 -6.021 -0.162 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.786 -4.725 3.078 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.463 -4.779 0.324 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.346 -3.637 4.747 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -1.900 -3.688 1.986 1.00 0.44 H new ATOM 0 HZ PHE A 54 -0.997 -3.112 4.202 1.00 0.51 H new ATOM 799 N PHE A 55 5.315 -5.472 0.660 1.00 0.37 N ATOM 800 CA PHE A 55 6.630 -4.992 1.027 1.00 0.36 C ATOM 801 C PHE A 55 7.248 -4.192 -0.109 1.00 0.42 C ATOM 802 O PHE A 55 6.681 -4.092 -1.198 1.00 0.55 O ATOM 803 CB PHE A 55 7.526 -6.193 1.357 1.00 0.36 C ATOM 804 CG PHE A 55 7.423 -7.296 0.340 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.149 -7.245 -0.839 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.586 -8.378 0.561 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.043 -8.255 -1.775 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.479 -9.387 -0.371 1.00 0.59 C ATOM 809 CZ PHE A 55 7.207 -9.326 -1.540 1.00 0.54 C ATOM 0 H PHE A 55 5.159 -5.533 -0.346 1.00 0.37 H new ATOM 0 HA PHE A 55 6.540 -4.341 1.896 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.562 -5.860 1.421 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.255 -6.583 2.338 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.804 -6.407 -1.028 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.011 -8.431 1.474 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.614 -8.206 -2.690 1.00 0.48 H new ATOM 0 HE2 PHE A 55 5.825 -10.226 -0.186 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.123 -10.116 -2.271 1.00 0.54 H new ATOM 819 N LEU A 56 8.407 -3.622 0.167 1.00 0.37 N ATOM 820 CA LEU A 56 9.223 -2.992 -0.850 1.00 0.44 C ATOM 821 C LEU A 56 10.061 -4.071 -1.521 1.00 0.44 C ATOM 822 O LEU A 56 10.946 -4.641 -0.881 1.00 0.53 O ATOM 823 CB LEU A 56 10.165 -1.962 -0.213 1.00 0.53 C ATOM 824 CG LEU A 56 9.573 -1.127 0.926 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.676 -0.376 1.653 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.532 -0.151 0.404 1.00 1.27 C ATOM 0 H LEU A 56 8.808 -3.584 1.104 1.00 0.37 H new ATOM 0 HA LEU A 56 8.581 -2.487 -1.572 1.00 0.44 H new ATOM 0 HB2 LEU A 56 11.043 -2.486 0.165 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.511 -1.284 -0.993 1.00 0.53 H new ATOM 0 HG LEU A 56 9.083 -1.805 1.624 1.00 0.81 H new ATOM 0 HD11 LEU A 56 10.243 0.214 2.461 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.390 -1.088 2.067 1.00 1.53 H new ATOM 0 HD13 LEU A 56 11.187 0.286 0.954 1.00 1.53 H new ATOM 0 HD21 LEU A 56 8.128 0.429 1.234 1.00 1.27 H new ATOM 0 HD22 LEU A 56 8.994 0.522 -0.318 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.726 -0.703 -0.079 1.00 1.27 H new ATOM 838 N ILE A 57 9.796 -4.370 -2.783 1.00 0.42 N ATOM 839 CA ILE A 57 10.577 -5.385 -3.469 1.00 0.45 C ATOM 840 C ILE A 57 11.541 -4.730 -4.441 1.00 0.46 C ATOM 841 O ILE A 57 11.163 -3.905 -5.273 1.00 0.52 O ATOM 842 CB ILE A 57 9.705 -6.443 -4.199 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.586 -7.535 -4.820 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.829 -5.805 -5.264 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.424 -8.295 -3.810 1.00 0.57 C ATOM 0 H ILE A 57 9.063 -3.935 -3.343 1.00 0.42 H new ATOM 0 HA ILE A 57 11.134 -5.924 -2.703 1.00 0.45 H new ATOM 0 HB ILE A 57 9.051 -6.898 -3.455 1.00 0.53 H new ATOM 0 HG12 ILE A 57 9.950 -8.241 -5.355 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.247 -7.079 -5.557 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.233 -6.575 -5.754 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.167 -5.074 -4.800 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.458 -5.308 -6.003 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.019 -9.049 -4.325 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.086 -7.602 -3.292 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.770 -8.781 -3.086 1.00 0.57 H new ATOM 857 N SER A 58 12.802 -5.072 -4.291 1.00 0.52 N ATOM 858 CA SER A 58 13.845 -4.496 -5.102 1.00 0.62 C ATOM 859 C SER A 58 13.850 -5.114 -6.489 1.00 0.72 C ATOM 860 O SER A 58 13.731 -6.331 -6.638 1.00 0.77 O ATOM 861 CB SER A 58 15.200 -4.706 -4.424 1.00 0.78 C ATOM 862 OG SER A 58 16.244 -4.086 -5.148 1.00 1.44 O ATOM 0 H SER A 58 13.129 -5.754 -3.606 1.00 0.52 H new ATOM 0 HA SER A 58 13.658 -3.427 -5.207 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.168 -4.302 -3.412 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.402 -5.773 -4.335 1.00 0.78 H new ATOM 0 HG SER A 58 17.065 -4.098 -4.613 1.00 1.44 H new ATOM 868 N ASP A 59 13.983 -4.265 -7.497 1.00 0.97 N ATOM 869 CA ASP A 59 14.180 -4.716 -8.868 1.00 1.18 C ATOM 870 C ASP A 59 15.456 -5.554 -8.934 1.00 1.20 C ATOM 871 O ASP A 59 15.549 -6.536 -9.671 1.00 1.34 O ATOM 872 CB ASP A 59 14.297 -3.500 -9.794 1.00 1.57 C ATOM 873 CG ASP A 59 14.132 -3.841 -11.262 1.00 1.80 C ATOM 874 OD1 ASP A 59 14.968 -4.588 -11.810 1.00 2.31 O ATOM 875 OD2 ASP A 59 13.169 -3.345 -11.885 1.00 2.17 O ATOM 0 H ASP A 59 13.958 -3.251 -7.390 1.00 0.97 H new ATOM 0 HA ASP A 59 13.332 -5.321 -9.189 1.00 1.18 H new ATOM 0 HB2 ASP A 59 13.543 -2.765 -9.513 1.00 1.57 H new ATOM 0 HB3 ASP A 59 15.270 -3.032 -9.645 1.00 1.57 H new ATOM 880 N ASN A 60 16.422 -5.157 -8.109 1.00 1.26 N ATOM 881 CA ASN A 60 17.705 -5.844 -8.003 1.00 1.52 C ATOM 882 C ASN A 60 17.529 -7.214 -7.352 1.00 1.40 C ATOM 883 O ASN A 60 18.331 -8.122 -7.575 1.00 1.74 O ATOM 884 CB ASN A 60 18.679 -5.005 -7.168 1.00 1.82 C ATOM 885 CG ASN A 60 18.782 -3.565 -7.644 1.00 2.52 C ATOM 886 OD1 ASN A 60 17.988 -2.710 -7.240 1.00 3.09 O ATOM 887 ND2 ASN A 60 19.763 -3.285 -8.486 1.00 3.05 N ATOM 0 H ASN A 60 16.336 -4.348 -7.494 1.00 1.26 H new ATOM 0 HA ASN A 60 18.106 -5.979 -9.007 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.358 -5.015 -6.126 1.00 1.82 H new ATOM 0 HB3 ASN A 60 19.667 -5.465 -7.202 1.00 1.82 H new ATOM 0 HD21 ASN A 60 19.886 -2.332 -8.827 1.00 3.05 H new ATOM 0 HD22 ASN A 60 20.397 -4.023 -8.794 1.00 3.05 H new ATOM 894 N ASN A 61 16.460 -7.347 -6.562 1.00 1.11 N ATOM 895 CA ASN A 61 16.154 -8.575 -5.817 1.00 1.06 C ATOM 896 C ASN A 61 17.234 -8.877 -4.778 1.00 1.11 C ATOM 897 O ASN A 61 18.285 -9.438 -5.094 1.00 1.55 O ATOM 898 CB ASN A 61 15.972 -9.771 -6.763 1.00 1.29 C ATOM 899 CG ASN A 61 15.482 -11.017 -6.042 1.00 1.85 C ATOM 900 OD1 ASN A 61 14.276 -11.223 -5.891 1.00 2.62 O ATOM 901 ND2 ASN A 61 16.406 -11.859 -5.607 1.00 2.37 N ATOM 0 H ASN A 61 15.778 -6.602 -6.419 1.00 1.11 H new ATOM 0 HA ASN A 61 15.213 -8.409 -5.293 1.00 1.06 H new ATOM 0 HB2 ASN A 61 15.262 -9.506 -7.546 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.920 -9.989 -7.254 1.00 1.29 H new ATOM 0 HD21 ASN A 61 16.130 -12.715 -5.127 1.00 2.37 H new ATOM 0 HD22 ASN A 61 17.394 -11.651 -5.752 1.00 2.37 H new ATOM 908 N ARG A 62 16.968 -8.479 -3.536 1.00 0.98 N ATOM 909 CA ARG A 62 17.901 -8.691 -2.432 1.00 1.06 C ATOM 910 C ARG A 62 17.210 -8.450 -1.091 1.00 0.90 C ATOM 911 O ARG A 62 17.352 -9.235 -0.154 1.00 1.01 O ATOM 912 CB ARG A 62 19.129 -7.777 -2.564 1.00 1.27 C ATOM 913 CG ARG A 62 18.802 -6.317 -2.869 1.00 1.79 C ATOM 914 CD ARG A 62 19.971 -5.407 -2.533 1.00 2.44 C ATOM 915 NE ARG A 62 20.240 -5.407 -1.098 1.00 3.13 N ATOM 916 CZ ARG A 62 21.371 -4.992 -0.542 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.344 -4.485 -1.287 1.00 3.55 N ATOM 918 NH2 ARG A 62 21.517 -5.077 0.771 1.00 4.66 N ATOM 0 H ARG A 62 16.106 -8.004 -3.268 1.00 0.98 H new ATOM 0 HA ARG A 62 18.238 -9.727 -2.474 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.701 -7.822 -1.637 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.772 -8.165 -3.354 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.548 -6.212 -3.924 1.00 1.79 H new ATOM 0 HG3 ARG A 62 17.925 -6.012 -2.298 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.859 -5.736 -3.073 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.753 -4.392 -2.866 1.00 2.44 H new ATOM 0 HE ARG A 62 19.506 -5.751 -0.479 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.227 -4.411 -2.298 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.209 -4.169 -0.849 1.00 3.55 H new ATOM 0 HH21 ARG A 62 20.764 -5.458 1.344 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.382 -4.761 1.209 1.00 4.66 H new ATOM 932 N ASP A 63 16.446 -7.368 -1.019 1.00 0.81 N ATOM 933 CA ASP A 63 15.754 -6.990 0.204 1.00 0.75 C ATOM 934 C ASP A 63 14.273 -6.824 -0.070 1.00 0.61 C ATOM 935 O ASP A 63 13.888 -6.299 -1.119 1.00 0.69 O ATOM 936 CB ASP A 63 16.297 -5.666 0.763 1.00 0.92 C ATOM 937 CG ASP A 63 17.651 -5.783 1.440 1.00 1.70 C ATOM 938 OD1 ASP A 63 18.620 -6.201 0.778 1.00 2.02 O ATOM 939 OD2 ASP A 63 17.758 -5.412 2.631 1.00 2.51 O ATOM 0 H ASP A 63 16.290 -6.732 -1.801 1.00 0.81 H new ATOM 0 HA ASP A 63 15.919 -7.781 0.935 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.372 -4.945 -0.051 1.00 0.92 H new ATOM 0 HB3 ASP A 63 15.579 -5.266 1.479 1.00 0.92 H new ATOM 944 N LYS A 64 13.448 -7.284 0.856 1.00 0.51 N ATOM 945 CA LYS A 64 12.028 -6.999 0.806 1.00 0.48 C ATOM 946 C LYS A 64 11.541 -6.601 2.196 1.00 0.52 C ATOM 947 O LYS A 64 11.458 -7.416 3.117 1.00 0.86 O ATOM 948 CB LYS A 64 11.226 -8.172 0.204 1.00 0.57 C ATOM 949 CG LYS A 64 11.265 -9.482 0.984 1.00 0.65 C ATOM 950 CD LYS A 64 9.997 -9.685 1.805 1.00 0.84 C ATOM 951 CE LYS A 64 9.923 -11.091 2.379 1.00 1.52 C ATOM 952 NZ LYS A 64 9.866 -12.131 1.316 1.00 2.07 N ATOM 0 H LYS A 64 13.739 -7.855 1.649 1.00 0.51 H new ATOM 0 HA LYS A 64 11.858 -6.158 0.134 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.186 -7.862 0.106 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.598 -8.361 -0.803 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.388 -10.315 0.292 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.132 -9.487 1.645 1.00 0.65 H new ATOM 0 HD2 LYS A 64 9.968 -8.958 2.616 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.124 -9.500 1.179 1.00 0.84 H new ATOM 0 HE2 LYS A 64 10.792 -11.269 3.012 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.042 -11.176 3.015 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 9.581 -13.039 1.734 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 9.174 -11.850 0.592 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.804 -12.231 0.878 1.00 2.07 H new ATOM 966 N LEU A 65 11.276 -5.320 2.353 1.00 0.34 N ATOM 967 CA LEU A 65 10.870 -4.783 3.635 1.00 0.34 C ATOM 968 C LEU A 65 9.406 -4.408 3.624 1.00 0.38 C ATOM 969 O LEU A 65 8.946 -3.654 2.770 1.00 0.72 O ATOM 970 CB LEU A 65 11.738 -3.590 4.013 1.00 0.52 C ATOM 971 CG LEU A 65 11.125 -2.603 4.997 1.00 1.18 C ATOM 972 CD1 LEU A 65 11.091 -3.195 6.399 1.00 1.98 C ATOM 973 CD2 LEU A 65 11.897 -1.293 4.963 1.00 1.96 C ATOM 0 H LEU A 65 11.335 -4.629 1.605 1.00 0.34 H new ATOM 0 HA LEU A 65 11.009 -5.557 4.390 1.00 0.34 H new ATOM 0 HB2 LEU A 65 12.670 -3.964 4.437 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.996 -3.051 3.102 1.00 0.52 H new ATOM 0 HG LEU A 65 10.095 -2.399 4.704 1.00 1.18 H new ATOM 0 HD11 LEU A 65 10.650 -2.475 7.088 1.00 1.98 H new ATOM 0 HD12 LEU A 65 10.493 -4.106 6.395 1.00 1.98 H new ATOM 0 HD13 LEU A 65 12.106 -3.429 6.720 1.00 1.98 H new ATOM 0 HD21 LEU A 65 11.454 -0.591 5.669 1.00 1.96 H new ATOM 0 HD22 LEU A 65 12.936 -1.476 5.237 1.00 1.96 H new ATOM 0 HD23 LEU A 65 11.855 -0.872 3.958 1.00 1.96 H new ATOM 985 N TYR A 66 8.691 -4.940 4.587 1.00 0.32 N ATOM 986 CA TYR A 66 7.259 -4.764 4.678 1.00 0.34 C ATOM 987 C TYR A 66 6.928 -3.345 5.121 1.00 0.36 C ATOM 988 O TYR A 66 7.624 -2.772 5.964 1.00 0.44 O ATOM 989 CB TYR A 66 6.704 -5.769 5.676 1.00 0.39 C ATOM 990 CG TYR A 66 7.357 -7.136 5.587 1.00 0.41 C ATOM 991 CD1 TYR A 66 6.882 -8.085 4.689 1.00 0.50 C ATOM 992 CD2 TYR A 66 8.442 -7.479 6.388 1.00 0.55 C ATOM 993 CE1 TYR A 66 7.464 -9.333 4.593 1.00 0.59 C ATOM 994 CE2 TYR A 66 9.031 -8.726 6.294 1.00 0.64 C ATOM 995 CZ TYR A 66 8.572 -9.635 5.453 1.00 0.62 C ATOM 996 OH TYR A 66 9.114 -10.893 5.300 1.00 0.75 O ATOM 0 H TYR A 66 9.088 -5.510 5.334 1.00 0.32 H new ATOM 0 HA TYR A 66 6.807 -4.929 3.700 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.836 -5.378 6.685 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.632 -5.876 5.513 1.00 0.39 H new ATOM 0 HD1 TYR A 66 6.042 -7.841 4.055 1.00 0.50 H new ATOM 0 HD2 TYR A 66 8.830 -6.760 7.094 1.00 0.55 H new ATOM 0 HE1 TYR A 66 7.095 -10.064 3.888 1.00 0.59 H new ATOM 0 HE2 TYR A 66 9.880 -8.961 6.918 1.00 0.64 H new ATOM 0 HH TYR A 66 9.861 -11.006 5.925 1.00 0.75 H new ATOM 1006 N VAL A 67 5.879 -2.777 4.550 1.00 0.35 N ATOM 1007 CA VAL A 67 5.470 -1.419 4.880 1.00 0.38 C ATOM 1008 C VAL A 67 3.963 -1.343 5.041 1.00 0.40 C ATOM 1009 O VAL A 67 3.223 -2.008 4.321 1.00 0.73 O ATOM 1010 CB VAL A 67 5.927 -0.402 3.812 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.439 -0.239 3.841 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.461 -0.832 2.428 1.00 0.60 C ATOM 0 H VAL A 67 5.292 -3.236 3.853 1.00 0.35 H new ATOM 0 HA VAL A 67 5.953 -1.159 5.822 1.00 0.38 H new ATOM 0 HB VAL A 67 5.474 0.562 4.041 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.742 0.482 3.081 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.748 0.118 4.823 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.912 -1.200 3.639 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.793 -0.102 1.689 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.883 -1.808 2.189 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.373 -0.894 2.413 1.00 0.60 H new ATOM 1022 N ASN A 68 3.517 -0.545 5.993 1.00 0.42 N ATOM 1023 CA ASN A 68 2.098 -0.393 6.252 1.00 0.49 C ATOM 1024 C ASN A 68 1.607 0.921 5.670 1.00 0.43 C ATOM 1025 O ASN A 68 2.105 1.993 6.020 1.00 0.50 O ATOM 1026 CB ASN A 68 1.800 -0.445 7.759 1.00 0.74 C ATOM 1027 CG ASN A 68 2.321 -1.709 8.424 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.670 -2.754 8.402 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.481 -1.615 9.057 1.00 1.60 N ATOM 0 H ASN A 68 4.119 0.010 6.601 1.00 0.42 H new ATOM 0 HA ASN A 68 1.573 -1.221 5.775 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.247 0.424 8.242 1.00 0.74 H new ATOM 0 HB3 ASN A 68 0.723 -0.377 7.913 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.862 -2.425 9.547 1.00 1.60 H new ATOM 0 HD22 ASN A 68 3.993 -0.733 9.054 1.00 1.60 H new ATOM 1036 N ILE A 69 0.651 0.827 4.763 1.00 0.42 N ATOM 1037 CA ILE A 69 0.090 2.002 4.118 1.00 0.41 C ATOM 1038 C ILE A 69 -0.979 2.623 5.011 1.00 0.41 C ATOM 1039 O ILE A 69 -2.161 2.302 4.896 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.531 1.652 2.748 1.00 0.50 C ATOM 1041 CG1 ILE A 69 0.088 0.366 2.193 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -0.322 2.801 1.771 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.554 -0.117 0.910 1.00 0.74 C ATOM 0 H ILE A 69 0.245 -0.056 4.455 1.00 0.42 H new ATOM 0 HA ILE A 69 0.901 2.712 3.957 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.601 1.492 2.881 1.00 0.50 H new ATOM 0 HG12 ILE A 69 1.151 0.532 2.016 1.00 0.48 H new ATOM 0 HG13 ILE A 69 0.009 -0.418 2.946 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.763 2.545 0.808 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -0.798 3.701 2.160 1.00 0.81 H new ATOM 0 HG23 ILE A 69 0.745 2.981 1.644 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.062 -1.032 0.579 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.611 -0.317 1.085 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.452 0.649 0.141 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.559 3.495 5.912 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.466 4.060 6.898 1.00 0.45 C ATOM 1057 C ARG A 70 -2.031 5.385 6.415 1.00 0.39 C ATOM 1058 O ARG A 70 -1.284 6.272 5.989 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.759 4.251 8.245 1.00 0.55 C ATOM 1060 CG ARG A 70 -1.614 4.965 9.285 1.00 1.33 C ATOM 1061 CD ARG A 70 -0.860 5.181 10.588 1.00 1.39 C ATOM 1062 NE ARG A 70 -1.623 6.005 11.527 1.00 2.23 N ATOM 1063 CZ ARG A 70 -1.410 6.039 12.842 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -0.459 5.292 13.392 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -2.150 6.832 13.606 1.00 3.79 N ATOM 0 H ARG A 70 0.403 3.827 5.982 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.289 3.358 7.034 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.467 3.276 8.634 1.00 0.55 H new ATOM 0 HB3 ARG A 70 0.158 4.819 8.088 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.938 5.928 8.889 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -2.513 4.381 9.479 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -0.641 4.216 11.046 1.00 1.39 H new ATOM 0 HD3 ARG A 70 0.097 5.659 10.379 1.00 1.39 H new ATOM 0 HE ARG A 70 -2.367 6.592 11.150 1.00 2.23 H new ATOM 0 HH11 ARG A 70 0.116 4.686 12.807 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -0.303 5.325 14.400 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -2.877 7.411 13.186 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -1.992 6.862 14.613 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.365 5.521 6.457 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.055 6.763 6.124 1.00 0.44 C ATOM 1081 C PRO A 71 -3.473 7.959 6.860 1.00 0.47 C ATOM 1082 O PRO A 71 -3.118 7.869 8.035 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.503 6.527 6.574 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.507 5.220 7.296 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.311 4.458 6.813 1.00 0.50 C ATOM 0 HA PRO A 71 -3.962 6.993 5.063 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.845 7.332 7.225 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.177 6.501 5.718 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -5.459 5.373 8.374 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.425 4.669 7.093 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -3.910 3.803 7.587 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.552 3.829 5.956 1.00 0.50 H new ATOM 1093 N MET A 72 -3.369 9.071 6.153 1.00 0.52 N ATOM 1094 CA MET A 72 -2.843 10.306 6.721 1.00 0.65 C ATOM 1095 C MET A 72 -3.846 10.944 7.696 1.00 0.81 C ATOM 1096 O MET A 72 -4.384 12.018 7.434 1.00 1.66 O ATOM 1097 CB MET A 72 -2.497 11.276 5.584 1.00 0.75 C ATOM 1098 CG MET A 72 -1.713 12.504 6.016 1.00 0.89 C ATOM 1099 SD MET A 72 -1.285 13.561 4.618 1.00 1.54 S ATOM 1100 CE MET A 72 -0.397 14.875 5.450 1.00 1.71 C ATOM 0 H MET A 72 -3.644 9.146 5.174 1.00 0.52 H new ATOM 0 HA MET A 72 -1.942 10.077 7.289 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.921 10.740 4.830 1.00 0.75 H new ATOM 0 HB3 MET A 72 -3.422 11.601 5.107 1.00 0.75 H new ATOM 0 HG2 MET A 72 -2.301 13.075 6.735 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.802 12.191 6.526 1.00 0.89 H new ATOM 0 HE1 MET A 72 -0.066 15.611 4.717 1.00 1.71 H new ATOM 0 HE2 MET A 72 -1.054 15.355 6.175 1.00 1.71 H new ATOM 0 HE3 MET A 72 0.470 14.460 5.964 1.00 1.71 H new ATOM 1110 N ASP A 73 -4.127 10.231 8.793 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.978 10.720 9.889 1.00 0.91 C ATOM 1112 C ASP A 73 -6.420 10.989 9.432 1.00 0.97 C ATOM 1113 O ASP A 73 -7.206 11.617 10.141 1.00 1.54 O ATOM 1114 CB ASP A 73 -4.371 11.987 10.507 1.00 1.06 C ATOM 1115 CG ASP A 73 -4.933 12.298 11.881 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -4.549 11.624 12.860 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -5.773 13.217 11.985 1.00 1.92 O ATOM 0 H ASP A 73 -3.768 9.289 8.948 1.00 0.85 H new ATOM 0 HA ASP A 73 -5.020 9.933 10.642 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -3.290 11.868 10.580 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -4.555 12.833 9.844 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.786 10.479 8.264 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.108 10.759 7.708 1.00 0.90 C ATOM 1124 C ASN A 74 -9.187 9.913 8.375 1.00 1.03 C ATOM 1125 O ASN A 74 -10.309 10.378 8.567 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.133 10.554 6.191 1.00 0.90 C ATOM 1127 CG ASN A 74 -7.265 11.558 5.454 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.694 12.671 5.159 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -6.043 11.165 5.124 1.00 1.21 N ATOM 0 H ASN A 74 -6.198 9.877 7.688 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.323 11.808 7.914 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.793 9.545 5.958 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -9.160 10.635 5.834 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -5.427 11.794 4.609 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -5.719 10.234 5.385 1.00 1.21 H new ATOM 1136 N SER A 75 -8.844 8.681 8.736 1.00 0.90 N ATOM 1137 CA SER A 75 -9.775 7.797 9.430 1.00 0.90 C ATOM 1138 C SER A 75 -9.055 6.547 9.919 1.00 0.84 C ATOM 1139 O SER A 75 -7.884 6.334 9.593 1.00 0.93 O ATOM 1140 CB SER A 75 -10.948 7.411 8.515 1.00 0.93 C ATOM 1141 OG SER A 75 -10.498 6.777 7.328 1.00 1.70 O ATOM 0 H SER A 75 -7.927 8.271 8.559 1.00 0.90 H new ATOM 0 HA SER A 75 -10.174 8.332 10.291 1.00 0.90 H new ATOM 0 HB2 SER A 75 -11.624 6.744 9.051 1.00 0.93 H new ATOM 0 HB3 SER A 75 -11.518 8.303 8.258 1.00 0.93 H new ATOM 0 HG SER A 75 -10.033 5.946 7.557 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.753 5.728 10.696 1.00 0.82 N ATOM 1148 CA ALA A 76 -9.192 4.487 11.198 1.00 0.78 C ATOM 1149 C ALA A 76 -9.445 3.360 10.207 1.00 0.63 C ATOM 1150 O ALA A 76 -10.570 3.156 9.754 1.00 0.77 O ATOM 1151 CB ALA A 76 -9.785 4.143 12.555 1.00 0.94 C ATOM 0 H ALA A 76 -10.713 5.905 10.991 1.00 0.82 H new ATOM 0 HA ALA A 76 -8.116 4.615 11.317 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -9.352 3.210 12.915 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -9.563 4.942 13.262 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.865 4.030 12.462 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.393 2.644 9.863 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.487 1.560 8.901 1.00 0.38 C ATOM 1159 C TRP A 77 -8.128 0.233 9.555 1.00 0.40 C ATOM 1160 O TRP A 77 -7.422 0.199 10.564 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.549 1.815 7.714 1.00 0.35 C ATOM 1162 CG TRP A 77 -7.997 2.903 6.778 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.650 4.063 7.093 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.797 2.933 5.362 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -8.884 4.797 5.953 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.366 4.123 4.881 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.197 2.063 4.454 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.349 4.461 3.533 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.181 2.403 3.117 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -7.753 3.593 2.669 1.00 0.42 C ATOM 0 H TRP A 77 -7.456 2.794 10.238 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.515 1.514 8.542 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.561 2.070 8.098 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.442 0.890 7.148 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.939 4.359 8.090 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.365 5.696 5.914 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.752 1.138 4.791 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -8.793 5.381 3.182 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -6.717 1.736 2.405 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -7.723 3.831 1.616 1.00 0.42 H new ATOM 1181 N THR A 78 -8.626 -0.850 8.987 1.00 0.38 N ATOM 1182 CA THR A 78 -8.269 -2.183 9.428 1.00 0.40 C ATOM 1183 C THR A 78 -7.045 -2.656 8.657 1.00 0.36 C ATOM 1184 O THR A 78 -7.099 -2.854 7.439 1.00 0.37 O ATOM 1185 CB THR A 78 -9.440 -3.160 9.227 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.598 -2.658 9.908 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.098 -4.546 9.759 1.00 0.49 C ATOM 0 H THR A 78 -9.287 -0.829 8.210 1.00 0.38 H new ATOM 0 HA THR A 78 -8.039 -2.154 10.493 1.00 0.40 H new ATOM 0 HB THR A 78 -9.639 -3.244 8.159 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.347 -3.277 9.780 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.945 -5.215 9.603 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.227 -4.934 9.231 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.877 -4.482 10.825 1.00 0.49 H new ATOM 1195 N THR A 79 -5.941 -2.814 9.364 1.00 0.41 N ATOM 1196 CA THR A 79 -4.673 -3.101 8.729 1.00 0.40 C ATOM 1197 C THR A 79 -4.453 -4.599 8.549 1.00 0.38 C ATOM 1198 O THR A 79 -4.550 -5.388 9.492 1.00 0.50 O ATOM 1199 CB THR A 79 -3.494 -2.471 9.514 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.242 -2.821 8.911 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.491 -2.899 10.973 1.00 0.59 C ATOM 0 H THR A 79 -5.900 -2.748 10.381 1.00 0.41 H new ATOM 0 HA THR A 79 -4.707 -2.648 7.738 1.00 0.40 H new ATOM 0 HB THR A 79 -3.627 -1.390 9.476 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.058 -2.215 8.163 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.649 -2.435 11.487 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.422 -2.586 11.446 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.400 -3.984 11.034 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.211 -4.975 7.308 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.750 -6.304 6.964 1.00 0.32 C ATOM 1211 C ASP A 80 -2.548 -6.146 6.045 1.00 0.36 C ATOM 1212 O ASP A 80 -2.347 -5.069 5.486 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.870 -7.102 6.281 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.412 -8.458 5.785 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.014 -9.298 6.618 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -4.448 -8.683 4.561 1.00 1.70 O ATOM 0 H ASP A 80 -4.330 -4.360 6.503 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.466 -6.858 7.859 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.693 -7.237 6.983 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -5.259 -6.526 5.441 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.730 -7.174 5.904 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.557 -7.069 5.049 1.00 0.57 C ATOM 1223 C ASN A 81 -0.898 -7.389 3.605 1.00 0.59 C ATOM 1224 O ASN A 81 -0.046 -7.302 2.730 1.00 0.72 O ATOM 1225 CB ASN A 81 0.580 -7.970 5.537 1.00 0.68 C ATOM 1226 CG ASN A 81 1.262 -7.421 6.775 1.00 0.81 C ATOM 1227 OD1 ASN A 81 0.889 -7.752 7.902 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.267 -6.572 6.580 1.00 0.80 N ATOM 0 H ASN A 81 -1.851 -8.078 6.361 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.216 -6.035 5.102 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.186 -8.963 5.753 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.316 -8.085 4.741 1.00 0.68 H new ATOM 0 HD21 ASN A 81 2.758 -6.171 7.379 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.547 -6.322 5.631 1.00 0.80 H new ATOM 1235 N GLY A 82 -2.138 -7.773 3.355 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.569 -8.003 1.998 1.00 0.65 C ATOM 1237 C GLY A 82 -3.466 -6.895 1.503 1.00 0.48 C ATOM 1238 O GLY A 82 -3.404 -6.505 0.334 1.00 0.57 O ATOM 0 H GLY A 82 -2.851 -7.929 4.067 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.698 -8.084 1.348 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -3.099 -8.954 1.940 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.299 -6.385 2.393 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.215 -5.313 2.058 1.00 0.44 C ATOM 1244 C VAL A 83 -5.240 -4.276 3.166 1.00 0.36 C ATOM 1245 O VAL A 83 -4.922 -4.571 4.317 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.652 -5.824 1.828 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.720 -6.738 0.610 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -7.169 -6.534 3.073 1.00 0.67 C ATOM 0 H VAL A 83 -4.358 -6.701 3.361 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.854 -4.870 1.130 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.293 -4.964 1.632 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.744 -7.084 0.471 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.399 -6.189 -0.275 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -6.065 -7.596 0.762 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -8.184 -6.889 2.894 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.524 -7.382 3.303 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.170 -5.840 3.914 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.625 -3.067 2.823 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.717 -2.006 3.802 1.00 0.29 C ATOM 1260 C PHE A 84 -7.007 -1.249 3.551 1.00 0.29 C ATOM 1261 O PHE A 84 -7.118 -0.542 2.555 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.501 -1.077 3.689 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.968 -0.603 5.013 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.696 0.272 5.804 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.727 -1.026 5.458 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.197 0.714 7.015 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.223 -0.588 6.668 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.959 0.283 7.447 1.00 0.36 C ATOM 0 H PHE A 84 -5.879 -2.794 1.874 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.723 -2.415 4.812 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.707 -1.598 3.155 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.774 -0.210 3.087 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.665 0.613 5.470 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.146 -1.706 4.853 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.775 1.395 7.622 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.254 -0.927 7.004 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.566 0.626 8.393 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.994 -1.437 4.414 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.307 -0.844 4.191 1.00 0.34 C ATOM 1280 C TYR A 85 -9.883 -0.282 5.472 1.00 0.34 C ATOM 1281 O TYR A 85 -9.651 -0.818 6.552 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.281 -1.863 3.583 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.577 -3.076 4.442 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.605 -4.041 4.687 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.841 -3.263 4.995 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.882 -5.152 5.460 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.124 -4.374 5.768 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.141 -5.314 5.997 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.418 -6.429 6.755 1.00 0.59 O ATOM 0 H TYR A 85 -7.914 -1.990 5.268 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.173 -0.025 3.484 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.221 -1.356 3.365 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.875 -2.204 2.631 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.618 -3.920 4.266 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.613 -2.529 4.817 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.115 -5.890 5.643 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.109 -4.505 6.190 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.348 -6.394 7.061 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.631 0.799 5.346 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.255 1.418 6.498 1.00 0.37 C ATOM 1301 C LYS A 86 -12.493 0.649 6.919 1.00 0.39 C ATOM 1302 O LYS A 86 -13.095 -0.073 6.124 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.617 2.880 6.221 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.486 3.101 4.995 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.012 4.527 4.964 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.817 4.820 3.708 1.00 0.61 C ATOM 1307 NZ LYS A 86 -14.512 6.133 3.801 1.00 1.39 N ATOM 0 H LYS A 86 -10.820 1.265 4.459 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.530 1.394 7.312 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.134 3.283 7.092 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.696 3.451 6.104 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -11.909 2.900 4.092 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.320 2.400 5.002 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -13.636 4.701 5.841 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.174 5.222 5.026 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.156 4.818 2.842 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.550 4.029 3.551 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.532 5.997 3.652 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -14.351 6.545 4.742 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.139 6.776 3.074 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.868 0.820 8.174 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.053 0.177 8.724 1.00 0.51 C ATOM 1323 C ASN A 87 -15.291 1.019 8.426 1.00 0.55 C ATOM 1324 O ASN A 87 -16.387 0.742 8.919 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.899 -0.022 10.238 1.00 0.61 C ATOM 1326 CG ASN A 87 -13.755 1.285 11.000 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -13.208 2.262 10.495 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -14.242 1.306 12.228 1.00 2.12 N ATOM 0 H ASN A 87 -12.364 1.405 8.840 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.170 -0.800 8.256 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -14.766 -0.563 10.617 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.026 -0.645 10.429 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -14.170 2.154 12.791 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -14.690 0.474 12.613 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.098 2.054 7.619 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.190 2.915 7.189 1.00 0.54 C ATOM 1337 C ASP A 88 -16.516 2.625 5.732 1.00 0.46 C ATOM 1338 O ASP A 88 -15.624 2.619 4.884 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.816 4.396 7.335 1.00 0.62 C ATOM 1340 CG ASP A 88 -15.342 4.765 8.727 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -16.128 4.633 9.688 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -14.185 5.218 8.858 1.00 2.10 O ATOM 0 H ASP A 88 -14.186 2.319 7.246 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.056 2.712 7.819 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.032 4.637 6.617 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.681 5.008 7.080 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.775 2.369 5.429 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.167 2.113 4.054 1.00 0.51 C ATOM 1349 C VAL A 89 -18.553 3.410 3.344 1.00 0.51 C ATOM 1350 O VAL A 89 -19.607 3.994 3.597 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.308 1.072 3.944 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.809 -0.303 4.363 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.517 1.473 4.783 1.00 0.93 C ATOM 0 H VAL A 89 -18.536 2.333 6.107 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.296 1.686 3.557 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.624 1.035 2.902 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.621 -1.025 4.281 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -17.987 -0.605 3.714 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.460 -0.265 5.395 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.297 0.719 4.681 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.223 1.552 5.830 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.896 2.435 4.439 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.675 3.862 2.461 1.00 0.46 N ATOM 1364 CA GLY A 90 -17.919 5.075 1.713 1.00 0.46 C ATOM 1365 C GLY A 90 -16.666 5.543 1.016 1.00 0.39 C ATOM 1366 O GLY A 90 -15.715 4.773 0.870 1.00 0.43 O ATOM 0 H GLY A 90 -16.789 3.404 2.249 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.705 4.901 0.978 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.278 5.855 2.385 1.00 0.46 H new ATOM 1370 N SER A 91 -16.647 6.794 0.598 1.00 0.44 N ATOM 1371 CA SER A 91 -15.510 7.338 -0.110 1.00 0.50 C ATOM 1372 C SER A 91 -14.457 7.809 0.883 1.00 0.48 C ATOM 1373 O SER A 91 -14.777 8.224 1.996 1.00 0.77 O ATOM 1374 CB SER A 91 -15.962 8.482 -1.021 1.00 0.69 C ATOM 1375 OG SER A 91 -16.943 8.025 -1.941 1.00 1.17 O ATOM 0 H SER A 91 -17.412 7.454 0.739 1.00 0.44 H new ATOM 0 HA SER A 91 -15.065 6.562 -0.733 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.369 9.295 -0.420 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.106 8.884 -1.563 1.00 0.69 H new ATOM 0 HG SER A 91 -16.873 8.536 -2.774 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.204 7.695 0.496 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.105 8.102 1.352 1.00 0.45 C ATOM 1383 C TRP A 92 -11.297 9.187 0.664 1.00 0.44 C ATOM 1384 O TRP A 92 -11.187 10.296 1.179 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.229 6.904 1.694 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.251 7.216 2.771 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.483 7.253 4.115 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -8.886 7.559 2.589 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.332 7.594 4.780 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.335 7.786 3.860 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.080 7.685 1.466 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.004 8.137 4.033 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -6.767 8.036 1.637 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.236 8.258 2.912 1.00 0.51 C ATOM 0 H TRP A 92 -12.918 7.322 -0.410 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.504 8.503 2.284 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -11.860 6.072 2.007 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -10.694 6.580 0.801 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.432 7.045 4.586 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.235 7.689 5.791 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.480 7.510 0.478 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.592 8.308 5.017 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.130 8.143 0.771 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.196 8.531 3.011 1.00 0.51 H new ATOM 1405 N GLY A 93 -10.774 8.843 -0.512 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.022 9.770 -1.360 1.00 0.49 C ATOM 1407 C GLY A 93 -9.175 10.795 -0.619 1.00 0.57 C ATOM 1408 O GLY A 93 -9.635 11.900 -0.329 1.00 1.25 O ATOM 0 H GLY A 93 -10.860 7.907 -0.907 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.370 9.190 -2.014 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.726 10.301 -2.001 1.00 0.49 H new ATOM 1412 N GLY A 94 -7.930 10.439 -0.351 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.024 11.345 0.322 1.00 0.50 C ATOM 1414 C GLY A 94 -5.575 10.946 0.127 1.00 0.50 C ATOM 1415 O GLY A 94 -5.118 10.788 -1.006 1.00 0.72 O ATOM 0 H GLY A 94 -7.528 9.532 -0.589 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.176 12.356 -0.055 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.255 11.364 1.387 1.00 0.50 H new ATOM 1419 N THR A 95 -4.855 10.773 1.226 1.00 0.46 N ATOM 1420 CA THR A 95 -3.457 10.368 1.170 1.00 0.45 C ATOM 1421 C THR A 95 -3.138 9.303 2.219 1.00 0.40 C ATOM 1422 O THR A 95 -3.522 9.425 3.383 1.00 0.45 O ATOM 1423 CB THR A 95 -2.518 11.577 1.364 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.102 12.508 2.287 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.238 12.268 0.038 1.00 0.60 C ATOM 0 H THR A 95 -5.217 10.907 2.170 1.00 0.46 H new ATOM 0 HA THR A 95 -3.291 9.943 0.180 1.00 0.45 H new ATOM 0 HB THR A 95 -1.573 11.214 1.767 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.405 12.867 2.875 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.574 13.116 0.203 1.00 0.60 H new ATOM 0 HG22 THR A 95 -1.764 11.564 -0.646 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.175 12.619 -0.394 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.461 8.252 1.788 1.00 0.38 N ATOM 1434 CA ILE A 96 -1.979 7.215 2.691 1.00 0.39 C ATOM 1435 C ILE A 96 -0.462 7.158 2.621 1.00 0.40 C ATOM 1436 O ILE A 96 0.113 7.190 1.536 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.550 5.812 2.373 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.653 5.588 0.866 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -3.902 5.604 3.037 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -3.926 6.127 0.249 1.00 1.63 C ATOM 0 H ILE A 96 -2.230 8.092 0.808 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.322 7.482 3.691 1.00 0.39 H new ATOM 0 HB ILE A 96 -1.856 5.076 2.780 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -1.798 6.058 0.380 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -2.587 4.519 0.663 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.277 4.610 2.795 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -3.795 5.698 4.118 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.604 6.355 2.675 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -3.923 5.929 -0.823 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -4.787 5.639 0.706 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -3.986 7.202 0.419 1.00 1.63 H new ATOM 1452 N GLY A 97 0.185 7.082 3.767 1.00 0.39 N ATOM 1453 CA GLY A 97 1.628 7.126 3.794 1.00 0.45 C ATOM 1454 C GLY A 97 2.245 5.759 3.920 1.00 0.39 C ATOM 1455 O GLY A 97 1.593 4.819 4.370 1.00 0.37 O ATOM 0 H GLY A 97 -0.261 6.991 4.680 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.991 7.602 2.883 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.954 7.746 4.629 1.00 0.45 H new ATOM 1459 N ILE A 98 3.500 5.638 3.522 1.00 0.38 N ATOM 1460 CA ILE A 98 4.210 4.385 3.673 1.00 0.36 C ATOM 1461 C ILE A 98 5.011 4.404 4.964 1.00 0.38 C ATOM 1462 O ILE A 98 5.947 5.188 5.117 1.00 0.42 O ATOM 1463 CB ILE A 98 5.137 4.091 2.464 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.308 3.676 1.245 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.159 3.011 2.799 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.615 4.823 0.542 1.00 0.83 C ATOM 0 H ILE A 98 4.043 6.388 3.095 1.00 0.38 H new ATOM 0 HA ILE A 98 3.472 3.584 3.712 1.00 0.36 H new ATOM 0 HB ILE A 98 5.680 5.007 2.229 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.959 3.169 0.533 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.557 2.952 1.561 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.793 2.828 1.931 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.775 3.340 3.636 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.641 2.091 3.070 1.00 0.45 H new ATOM 0 HD11 ILE A 98 3.051 4.441 -0.309 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.935 5.317 1.236 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.359 5.538 0.192 1.00 0.83 H new ATOM 1478 N TYR A 99 4.606 3.563 5.898 1.00 0.42 N ATOM 1479 CA TYR A 99 5.280 3.452 7.178 1.00 0.53 C ATOM 1480 C TYR A 99 5.979 2.099 7.250 1.00 0.44 C ATOM 1481 O TYR A 99 5.333 1.060 7.120 1.00 0.50 O ATOM 1482 CB TYR A 99 4.277 3.575 8.339 1.00 0.73 C ATOM 1483 CG TYR A 99 3.455 4.855 8.367 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.601 5.172 7.318 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.550 5.757 9.418 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.865 6.340 7.320 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.818 6.928 9.427 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.929 7.182 8.457 1.00 0.92 C ATOM 1489 OH TYR A 99 1.251 8.384 8.380 1.00 1.28 O ATOM 0 H TYR A 99 3.805 2.941 5.791 1.00 0.42 H new ATOM 0 HA TYR A 99 6.007 4.260 7.267 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.594 2.727 8.296 1.00 0.73 H new ATOM 0 HB3 TYR A 99 4.825 3.496 9.278 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.511 4.491 6.484 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.209 5.539 10.245 1.00 0.88 H new ATOM 0 HE1 TYR A 99 1.253 6.606 6.471 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.963 7.645 10.222 1.00 1.11 H new ATOM 0 HH TYR A 99 1.365 8.878 9.219 1.00 1.28 H new ATOM 1499 N VAL A 100 7.289 2.113 7.430 1.00 0.44 N ATOM 1500 CA VAL A 100 8.068 0.880 7.510 1.00 0.40 C ATOM 1501 C VAL A 100 7.575 -0.006 8.654 1.00 0.42 C ATOM 1502 O VAL A 100 7.277 0.480 9.744 1.00 0.56 O ATOM 1503 CB VAL A 100 9.566 1.184 7.720 1.00 0.50 C ATOM 1504 CG1 VAL A 100 9.796 1.866 9.052 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.396 -0.079 7.626 1.00 0.78 C ATOM 0 H VAL A 100 7.841 2.966 7.524 1.00 0.44 H new ATOM 0 HA VAL A 100 7.937 0.354 6.564 1.00 0.40 H new ATOM 0 HB VAL A 100 9.882 1.861 6.926 1.00 0.50 H new ATOM 0 HG11 VAL A 100 10.859 2.070 9.177 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.241 2.803 9.082 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.454 1.216 9.857 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.448 0.165 7.778 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.073 -0.785 8.391 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.266 -0.527 6.641 1.00 0.78 H new ATOM 1515 N ASP A 101 7.470 -1.298 8.411 1.00 0.40 N ATOM 1516 CA ASP A 101 7.134 -2.221 9.479 1.00 0.50 C ATOM 1517 C ASP A 101 8.411 -2.598 10.219 1.00 0.59 C ATOM 1518 O ASP A 101 9.028 -3.627 9.940 1.00 0.77 O ATOM 1519 CB ASP A 101 6.441 -3.466 8.924 1.00 0.67 C ATOM 1520 CG ASP A 101 5.742 -4.269 10.001 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.645 -3.852 10.435 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.259 -5.336 10.394 1.00 1.02 O ATOM 0 H ASP A 101 7.610 -1.729 7.497 1.00 0.40 H new ATOM 0 HA ASP A 101 6.440 -1.742 10.169 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.714 -3.167 8.169 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.178 -4.096 8.426 1.00 0.67 H new ATOM 1527 N GLY A 102 8.821 -1.726 11.135 1.00 0.61 N ATOM 1528 CA GLY A 102 10.098 -1.888 11.803 1.00 0.81 C ATOM 1529 C GLY A 102 11.256 -1.455 10.920 1.00 0.85 C ATOM 1530 O GLY A 102 11.538 -2.103 9.910 1.00 1.53 O ATOM 0 H GLY A 102 8.288 -0.907 11.427 1.00 0.61 H new ATOM 0 HA2 GLY A 102 10.104 -1.303 12.723 1.00 0.81 H new ATOM 0 HA3 GLY A 102 10.229 -2.932 12.088 1.00 0.81 H new ATOM 1534 N GLN A 103 11.900 -0.339 11.281 1.00 0.64 N ATOM 1535 CA GLN A 103 13.070 0.168 10.556 1.00 0.60 C ATOM 1536 C GLN A 103 14.020 -0.951 10.116 1.00 0.61 C ATOM 1537 O GLN A 103 14.476 -1.756 10.919 1.00 0.65 O ATOM 1538 CB GLN A 103 13.813 1.210 11.409 1.00 0.71 C ATOM 1539 CG GLN A 103 13.674 1.025 12.921 1.00 1.01 C ATOM 1540 CD GLN A 103 14.437 -0.171 13.464 1.00 1.35 C ATOM 1541 OE1 GLN A 103 13.902 -1.275 13.559 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.687 0.047 13.842 1.00 2.11 N ATOM 0 H GLN A 103 11.627 0.235 12.079 1.00 0.64 H new ATOM 0 HA GLN A 103 12.705 0.644 9.646 1.00 0.60 H new ATOM 0 HB2 GLN A 103 14.871 1.181 11.150 1.00 0.71 H new ATOM 0 HB3 GLN A 103 13.447 2.202 11.144 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.026 1.927 13.422 1.00 1.01 H new ATOM 0 HG3 GLN A 103 12.618 0.914 13.169 1.00 1.01 H new ATOM 0 HE21 GLN A 103 16.094 0.978 13.747 1.00 2.11 H new ATOM 0 HE22 GLN A 103 16.243 -0.716 14.229 1.00 2.11 H new ATOM 1551 N GLN A 104 14.310 -0.992 8.820 1.00 0.73 N ATOM 1552 CA GLN A 104 15.152 -2.036 8.251 1.00 0.94 C ATOM 1553 C GLN A 104 16.614 -1.584 8.215 1.00 1.02 C ATOM 1554 O GLN A 104 17.416 -2.092 7.430 1.00 1.28 O ATOM 1555 CB GLN A 104 14.647 -2.377 6.844 1.00 1.12 C ATOM 1556 CG GLN A 104 15.194 -3.680 6.270 1.00 1.96 C ATOM 1557 CD GLN A 104 14.840 -4.897 7.111 1.00 1.98 C ATOM 1558 OE1 GLN A 104 13.714 -4.835 7.811 1.00 2.02 O flip ATOM 1559 NE2 GLN A 104 15.572 -5.884 7.126 1.00 2.62 N flip ATOM 0 H GLN A 104 13.972 -0.310 8.141 1.00 0.73 H new ATOM 0 HA GLN A 104 15.098 -2.929 8.874 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.559 -2.434 6.867 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.909 -1.561 6.171 1.00 1.12 H new ATOM 0 HG2 GLN A 104 14.805 -3.817 5.261 1.00 1.96 H new ATOM 0 HG3 GLN A 104 16.278 -3.606 6.186 1.00 1.96 H new ATOM 0 HE21 GLN A 104 16.429 -5.892 6.573 1.00 2.62 H new ATOM 0 HE22 GLN A 104 15.322 -6.696 7.691 1.00 2.62 H new ATOM 1568 N THR A 105 16.936 -0.601 9.056 1.00 1.14 N ATOM 1569 CA THR A 105 18.309 -0.114 9.235 1.00 1.42 C ATOM 1570 C THR A 105 18.837 0.637 8.004 1.00 1.11 C ATOM 1571 O THR A 105 19.864 1.309 8.076 1.00 1.04 O ATOM 1572 CB THR A 105 19.267 -1.276 9.577 1.00 1.90 C ATOM 1573 OG1 THR A 105 18.666 -2.136 10.556 1.00 2.27 O ATOM 1574 CG2 THR A 105 20.586 -0.753 10.119 1.00 2.43 C ATOM 0 H THR A 105 16.251 -0.116 9.636 1.00 1.14 H new ATOM 0 HA THR A 105 18.275 0.590 10.066 1.00 1.42 H new ATOM 0 HB THR A 105 19.458 -1.834 8.660 1.00 1.90 H new ATOM 0 HG1 THR A 105 19.279 -2.871 10.766 1.00 2.27 H new ATOM 0 HG21 THR A 105 21.242 -1.592 10.352 1.00 2.43 H new ATOM 0 HG22 THR A 105 21.061 -0.118 9.371 1.00 2.43 H new ATOM 0 HG23 THR A 105 20.403 -0.173 11.024 1.00 2.43 H new ATOM 1582 N ASN A 106 18.111 0.543 6.890 1.00 1.04 N ATOM 1583 CA ASN A 106 18.543 1.115 5.617 1.00 0.88 C ATOM 1584 C ASN A 106 19.756 0.368 5.077 1.00 0.81 C ATOM 1585 O ASN A 106 20.903 0.709 5.358 1.00 0.79 O ATOM 1586 CB ASN A 106 18.822 2.619 5.749 1.00 0.97 C ATOM 1587 CG ASN A 106 19.481 3.251 4.528 1.00 0.86 C ATOM 1588 OD1 ASN A 106 19.241 2.708 3.340 1.00 1.56 O flip ATOM 1589 ND2 ASN A 106 20.203 4.236 4.656 1.00 0.80 N flip ATOM 0 H ASN A 106 17.209 0.069 6.846 1.00 1.04 H new ATOM 0 HA ASN A 106 17.731 0.999 4.899 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.882 3.134 5.945 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.462 2.782 6.616 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.368 4.630 5.582 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.637 4.660 3.836 1.00 0.80 H new ATOM 1596 N THR A 107 19.470 -0.677 4.328 1.00 0.86 N ATOM 1597 CA THR A 107 20.485 -1.416 3.613 1.00 0.89 C ATOM 1598 C THR A 107 20.647 -0.823 2.240 1.00 0.80 C ATOM 1599 O THR A 107 19.661 -0.327 1.704 1.00 0.86 O ATOM 1600 CB THR A 107 20.096 -2.899 3.492 1.00 1.13 C ATOM 1601 OG1 THR A 107 18.663 -3.040 3.501 1.00 1.68 O ATOM 1602 CG2 THR A 107 20.702 -3.715 4.614 1.00 1.53 C ATOM 0 H THR A 107 18.524 -1.037 4.199 1.00 0.86 H new ATOM 0 HA THR A 107 21.424 -1.351 4.163 1.00 0.89 H new ATOM 0 HB THR A 107 20.487 -3.274 2.546 1.00 1.13 H new ATOM 0 HG1 THR A 107 18.427 -3.989 3.435 1.00 1.68 H new ATOM 0 HG21 THR A 107 20.410 -4.759 4.503 1.00 1.53 H new ATOM 0 HG22 THR A 107 21.788 -3.636 4.576 1.00 1.53 H new ATOM 0 HG23 THR A 107 20.344 -3.338 5.572 1.00 1.53 H new ATOM 1610 N PRO A 108 21.884 -0.843 1.680 1.00 0.82 N ATOM 1611 CA PRO A 108 22.201 -0.264 0.368 1.00 0.84 C ATOM 1612 C PRO A 108 21.091 -0.482 -0.648 1.00 0.76 C ATOM 1613 O PRO A 108 21.017 -1.523 -1.305 1.00 0.91 O ATOM 1614 CB PRO A 108 23.468 -1.007 -0.033 1.00 1.07 C ATOM 1615 CG PRO A 108 24.163 -1.266 1.259 1.00 1.26 C ATOM 1616 CD PRO A 108 23.081 -1.444 2.300 1.00 0.99 C ATOM 0 HA PRO A 108 22.321 0.819 0.408 1.00 0.84 H new ATOM 0 HB2 PRO A 108 23.237 -1.936 -0.554 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.085 -0.409 -0.704 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.787 -2.157 1.192 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.819 -0.436 1.520 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.923 -2.497 2.535 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.340 -0.945 3.234 1.00 0.99 H new ATOM 1624 N PRO A 109 20.192 0.502 -0.751 1.00 0.61 N ATOM 1625 CA PRO A 109 18.960 0.376 -1.505 1.00 0.56 C ATOM 1626 C PRO A 109 19.160 0.488 -3.010 1.00 0.57 C ATOM 1627 O PRO A 109 20.272 0.670 -3.499 1.00 0.76 O ATOM 1628 CB PRO A 109 18.093 1.546 -1.003 1.00 0.59 C ATOM 1629 CG PRO A 109 18.860 2.186 0.109 1.00 0.64 C ATOM 1630 CD PRO A 109 20.298 1.808 -0.096 1.00 0.63 C ATOM 0 HA PRO A 109 18.513 -0.607 -1.353 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.900 2.260 -1.804 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.124 1.190 -0.653 1.00 0.59 H new ATOM 0 HG2 PRO A 109 18.737 3.269 0.093 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.502 1.839 1.078 1.00 0.64 H new ATOM 0 HD2 PRO A 109 20.823 2.533 -0.718 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.840 1.746 0.848 1.00 0.63 H new ATOM 1638 N GLY A 110 18.059 0.387 -3.725 1.00 0.49 N ATOM 1639 CA GLY A 110 18.067 0.531 -5.159 1.00 0.58 C ATOM 1640 C GLY A 110 16.713 0.973 -5.643 1.00 0.54 C ATOM 1641 O GLY A 110 16.178 1.983 -5.179 1.00 0.76 O ATOM 0 H GLY A 110 17.138 0.203 -3.327 1.00 0.49 H new ATOM 0 HA2 GLY A 110 18.823 1.259 -5.455 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.337 -0.416 -5.626 1.00 0.58 H new ATOM 1645 N ASN A 111 16.148 0.211 -6.552 1.00 0.45 N ATOM 1646 CA ASN A 111 14.783 0.439 -6.987 1.00 0.44 C ATOM 1647 C ASN A 111 13.856 -0.499 -6.231 1.00 0.42 C ATOM 1648 O ASN A 111 13.871 -1.710 -6.458 1.00 0.58 O ATOM 1649 CB ASN A 111 14.660 0.208 -8.496 1.00 0.56 C ATOM 1650 CG ASN A 111 13.304 0.606 -9.059 1.00 1.10 C ATOM 1651 OD1 ASN A 111 12.278 0.544 -8.379 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.296 1.012 -10.316 1.00 1.41 N ATOM 0 H ASN A 111 16.612 -0.575 -7.007 1.00 0.45 H new ATOM 0 HA ASN A 111 14.503 1.471 -6.777 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.438 0.775 -9.008 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.839 -0.845 -8.711 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.419 1.288 -10.757 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.167 1.049 -10.845 1.00 1.41 H new ATOM 1659 N TYR A 112 13.087 0.047 -5.299 1.00 0.35 N ATOM 1660 CA TYR A 112 12.085 -0.733 -4.594 1.00 0.37 C ATOM 1661 C TYR A 112 10.714 -0.429 -5.163 1.00 0.42 C ATOM 1662 O TYR A 112 10.163 0.653 -4.967 1.00 0.55 O ATOM 1663 CB TYR A 112 12.127 -0.476 -3.081 1.00 0.40 C ATOM 1664 CG TYR A 112 13.351 -1.070 -2.424 1.00 0.40 C ATOM 1665 CD1 TYR A 112 13.474 -2.438 -2.221 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.376 -0.248 -1.976 1.00 0.64 C ATOM 1667 CE1 TYR A 112 14.580 -2.965 -1.591 1.00 0.75 C ATOM 1668 CE2 TYR A 112 15.487 -0.771 -1.353 1.00 0.67 C ATOM 1669 CZ TYR A 112 15.613 -2.191 -1.276 1.00 0.59 C ATOM 1670 OH TYR A 112 16.678 -2.652 -0.524 1.00 0.69 O ATOM 0 H TYR A 112 13.139 1.025 -5.015 1.00 0.35 H new ATOM 0 HA TYR A 112 12.304 -1.791 -4.740 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.106 0.598 -2.898 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.232 -0.895 -2.620 1.00 0.40 H new ATOM 0 HD1 TYR A 112 12.691 -3.099 -2.562 1.00 0.68 H new ATOM 0 HD2 TYR A 112 14.301 0.820 -2.119 1.00 0.64 H new ATOM 0 HE1 TYR A 112 14.608 -4.018 -1.351 1.00 0.75 H new ATOM 0 HE2 TYR A 112 16.243 -0.124 -0.934 1.00 0.67 H new ATOM 0 HH TYR A 112 17.504 -2.574 -1.045 1.00 0.69 H new ATOM 1680 N THR A 113 10.190 -1.389 -5.896 1.00 0.38 N ATOM 1681 CA THR A 113 8.931 -1.232 -6.583 1.00 0.46 C ATOM 1682 C THR A 113 7.799 -1.850 -5.772 1.00 0.51 C ATOM 1683 O THR A 113 7.882 -2.996 -5.347 1.00 0.83 O ATOM 1684 CB THR A 113 9.002 -1.898 -7.968 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.141 -1.397 -8.685 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.740 -1.631 -8.770 1.00 0.74 C ATOM 0 H THR A 113 10.628 -2.300 -6.031 1.00 0.38 H new ATOM 0 HA THR A 113 8.733 -0.167 -6.705 1.00 0.46 H new ATOM 0 HB THR A 113 9.096 -2.974 -7.825 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.519 -0.632 -8.204 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.819 -2.114 -9.744 1.00 0.74 H new ATOM 0 HG22 THR A 113 6.878 -2.031 -8.236 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.616 -0.557 -8.907 1.00 0.74 H new ATOM 1694 N LEU A 114 6.764 -1.072 -5.521 1.00 0.34 N ATOM 1695 CA LEU A 114 5.587 -1.571 -4.830 1.00 0.38 C ATOM 1696 C LEU A 114 4.328 -1.095 -5.540 1.00 0.40 C ATOM 1697 O LEU A 114 3.968 0.080 -5.493 1.00 0.47 O ATOM 1698 CB LEU A 114 5.582 -1.150 -3.350 1.00 0.43 C ATOM 1699 CG LEU A 114 6.255 0.186 -3.036 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.623 0.831 -1.811 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.743 -0.012 -2.812 1.00 0.41 C ATOM 0 H LEU A 114 6.713 -0.088 -5.786 1.00 0.34 H new ATOM 0 HA LEU A 114 5.611 -2.660 -4.853 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.548 -1.103 -3.009 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.075 -1.929 -2.769 1.00 0.43 H new ATOM 0 HG LEU A 114 6.112 0.849 -3.889 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.116 1.781 -1.605 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.563 1.006 -1.998 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.736 0.169 -0.952 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.208 0.948 -2.589 1.00 0.41 H new ATOM 0 HD22 LEU A 114 7.898 -0.693 -1.975 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.193 -0.434 -3.711 1.00 0.41 H new ATOM 1713 N THR A 115 3.676 -2.019 -6.218 1.00 0.42 N ATOM 1714 CA THR A 115 2.514 -1.703 -7.021 1.00 0.45 C ATOM 1715 C THR A 115 1.237 -1.917 -6.212 1.00 0.44 C ATOM 1716 O THR A 115 1.132 -2.880 -5.450 1.00 0.47 O ATOM 1717 CB THR A 115 2.488 -2.582 -8.284 1.00 0.49 C ATOM 1718 OG1 THR A 115 3.781 -2.572 -8.903 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.455 -2.087 -9.278 1.00 0.59 C ATOM 0 H THR A 115 3.936 -3.005 -6.227 1.00 0.42 H new ATOM 0 HA THR A 115 2.571 -0.656 -7.318 1.00 0.45 H new ATOM 0 HB THR A 115 2.222 -3.596 -7.985 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.764 -3.133 -9.706 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.461 -2.729 -10.159 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.467 -2.111 -8.818 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.693 -1.065 -9.572 1.00 0.59 H new ATOM 1727 N LEU A 116 0.281 -1.018 -6.370 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.970 -1.089 -5.635 1.00 0.47 C ATOM 1729 C LEU A 116 -2.155 -1.081 -6.593 1.00 0.48 C ATOM 1730 O LEU A 116 -2.276 -0.199 -7.440 1.00 0.63 O ATOM 1731 CB LEU A 116 -1.073 0.084 -4.661 1.00 0.54 C ATOM 1732 CG LEU A 116 -0.035 0.092 -3.535 1.00 0.61 C ATOM 1733 CD1 LEU A 116 -0.181 1.344 -2.685 1.00 1.27 C ATOM 1734 CD2 LEU A 116 -0.166 -1.156 -2.675 1.00 1.05 C ATOM 0 H LEU A 116 0.349 -0.224 -7.006 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.988 -2.021 -5.071 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.981 1.012 -5.225 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -2.068 0.079 -4.216 1.00 0.54 H new ATOM 0 HG LEU A 116 0.958 0.094 -3.984 1.00 0.61 H new ATOM 0 HD11 LEU A 116 0.564 1.333 -1.890 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -0.034 2.226 -3.308 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -1.179 1.372 -2.247 1.00 1.27 H new ATOM 0 HD21 LEU A 116 0.580 -1.131 -1.881 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -1.163 -1.192 -2.235 1.00 1.05 H new ATOM 0 HD23 LEU A 116 -0.010 -2.041 -3.292 1.00 1.05 H new ATOM 1746 N THR A 117 -3.017 -2.069 -6.461 1.00 0.44 N ATOM 1747 CA THR A 117 -4.190 -2.180 -7.307 1.00 0.48 C ATOM 1748 C THR A 117 -5.427 -1.687 -6.561 1.00 0.58 C ATOM 1749 O THR A 117 -5.812 -2.252 -5.532 1.00 0.70 O ATOM 1750 CB THR A 117 -4.400 -3.638 -7.754 1.00 0.53 C ATOM 1751 OG1 THR A 117 -3.161 -4.172 -8.242 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.458 -3.732 -8.843 1.00 0.57 C ATOM 0 H THR A 117 -2.926 -2.813 -5.769 1.00 0.44 H new ATOM 0 HA THR A 117 -4.034 -1.561 -8.190 1.00 0.48 H new ATOM 0 HB THR A 117 -4.742 -4.214 -6.894 1.00 0.53 H new ATOM 0 HG1 THR A 117 -3.294 -5.101 -8.525 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.584 -4.774 -9.138 1.00 0.57 H new ATOM 0 HG22 THR A 117 -6.404 -3.344 -8.465 1.00 0.57 H new ATOM 0 HG23 THR A 117 -5.144 -3.145 -9.707 1.00 0.57 H new ATOM 1760 N GLY A 118 -6.034 -0.625 -7.075 1.00 0.63 N ATOM 1761 CA GLY A 118 -7.199 -0.055 -6.432 1.00 0.79 C ATOM 1762 C GLY A 118 -8.408 -0.966 -6.505 1.00 0.64 C ATOM 1763 O GLY A 118 -8.572 -1.725 -7.462 1.00 0.80 O ATOM 0 H GLY A 118 -5.739 -0.148 -7.927 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.968 0.153 -5.387 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -7.438 0.899 -6.902 1.00 0.79 H new ATOM 1767 N GLY A 119 -9.247 -0.910 -5.483 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.457 -1.696 -5.477 1.00 0.50 C ATOM 1769 C GLY A 119 -11.093 -1.753 -4.111 1.00 0.44 C ATOM 1770 O GLY A 119 -10.580 -1.170 -3.159 1.00 0.53 O ATOM 0 H GLY A 119 -9.109 -0.331 -4.655 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -11.166 -1.273 -6.189 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -10.232 -2.708 -5.814 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.211 -2.447 -4.008 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.866 -2.607 -2.726 1.00 0.41 C ATOM 1776 C TYR A 120 -12.591 -3.983 -2.164 1.00 0.43 C ATOM 1777 O TYR A 120 -11.960 -4.822 -2.814 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.378 -2.351 -2.814 1.00 0.48 C ATOM 1779 CG TYR A 120 -15.139 -3.207 -3.810 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.673 -4.439 -3.443 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -15.347 -2.768 -5.112 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.390 -5.203 -4.347 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -16.058 -3.527 -6.018 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.577 -4.742 -5.633 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.291 -5.492 -6.537 1.00 0.89 O ATOM 0 H TYR A 120 -12.680 -2.905 -4.790 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.452 -1.858 -2.051 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.811 -2.506 -1.826 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.535 -1.303 -3.070 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.525 -4.804 -2.437 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.944 -1.814 -5.420 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.801 -6.156 -4.047 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -16.207 -3.169 -7.026 1.00 0.73 H new ATOM 0 HH TYR A 120 -17.329 -5.021 -7.396 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.037 -4.194 -0.952 1.00 0.39 N ATOM 1796 CA TRP A 121 -12.870 -5.456 -0.279 1.00 0.40 C ATOM 1797 C TRP A 121 -14.200 -5.872 0.338 1.00 0.48 C ATOM 1798 O TRP A 121 -14.993 -5.020 0.750 1.00 0.53 O ATOM 1799 CB TRP A 121 -11.759 -5.313 0.775 1.00 0.43 C ATOM 1800 CG TRP A 121 -11.855 -6.268 1.918 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -12.774 -6.228 2.912 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.000 -7.378 2.208 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -12.568 -7.250 3.789 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.484 -7.965 3.387 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -9.885 -7.939 1.590 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -10.895 -9.076 3.960 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.297 -9.048 2.172 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -9.806 -9.602 3.343 1.00 0.51 C ATOM 0 H TRP A 121 -13.529 -3.491 -0.401 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.571 -6.237 -0.978 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -10.794 -5.449 0.286 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -11.778 -4.296 1.167 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.559 -5.491 2.997 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.135 -7.447 4.614 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.489 -7.518 0.678 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.287 -9.511 4.867 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.428 -9.492 1.709 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.324 -10.469 3.770 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.447 -7.168 0.374 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.662 -7.697 0.948 1.00 0.73 C ATOM 1821 C ALA A 122 -15.361 -8.611 2.130 1.00 0.90 C ATOM 1822 O ALA A 122 -14.384 -9.369 2.118 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.465 -8.436 -0.110 1.00 0.94 C ATOM 0 H ALA A 122 -13.812 -7.877 0.007 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.255 -6.861 1.318 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.378 -8.830 0.336 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.722 -7.750 -0.917 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -15.872 -9.259 -0.508 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.207 -8.503 3.141 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.159 -9.326 4.347 1.00 0.97 C ATOM 1831 C LYS A 123 -14.975 -8.945 5.230 1.00 0.83 C ATOM 1832 O LYS A 123 -14.621 -7.771 5.325 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.111 -10.811 4.001 1.00 1.10 C ATOM 1834 CG LYS A 123 -16.897 -11.673 4.979 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.373 -11.299 4.974 1.00 1.97 C ATOM 1836 CE LYS A 123 -19.135 -11.942 6.123 1.00 2.89 C ATOM 1837 NZ LYS A 123 -19.048 -13.424 6.103 1.00 3.47 N ATOM 0 H LYS A 123 -16.968 -7.824 3.150 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.075 -9.137 4.907 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.507 -10.958 2.996 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.073 -11.142 3.986 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -16.784 -12.724 4.714 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -16.491 -11.552 5.983 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -18.471 -10.215 5.037 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -18.820 -11.605 4.028 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.741 -11.571 7.069 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.182 -11.642 6.074 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -19.677 -13.819 6.831 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.337 -13.776 5.168 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -18.069 -13.717 6.296 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.384 -9.934 5.893 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.272 -9.690 6.796 1.00 0.81 C ATOM 1853 C ASP A 124 -12.288 -10.856 6.799 1.00 0.71 C ATOM 1854 O ASP A 124 -12.684 -11.997 7.004 1.00 0.74 O ATOM 1855 CB ASP A 124 -13.801 -9.428 8.211 1.00 1.07 C ATOM 1856 CG ASP A 124 -12.727 -9.497 9.279 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -12.063 -8.466 9.523 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -12.516 -10.585 9.855 1.00 2.08 O ATOM 0 H ASP A 124 -14.660 -10.913 5.819 1.00 0.82 H new ATOM 0 HA ASP A 124 -12.734 -8.810 6.445 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -14.268 -8.444 8.239 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -14.578 -10.157 8.441 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.023 -10.527 6.512 1.00 0.70 N ATOM 1864 CA ASN A 125 -9.856 -11.445 6.521 1.00 0.73 C ATOM 1865 C ASN A 125 -10.007 -12.718 5.671 1.00 0.73 C ATOM 1866 O ASN A 125 -9.054 -13.481 5.520 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.427 -11.782 7.958 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.879 -13.146 8.477 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -10.957 -13.645 8.158 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -9.040 -13.759 9.293 1.00 2.40 N ATOM 0 H ASN A 125 -10.763 -9.575 6.255 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.063 -10.883 6.028 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -8.340 -11.733 8.015 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -9.816 -11.012 8.625 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -9.279 -14.673 9.678 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -8.153 -13.318 9.538 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.178 -12.938 5.103 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.409 -14.086 4.234 1.00 0.76 C ATOM 1879 C LYS A 126 -10.839 -13.819 2.846 1.00 0.76 C ATOM 1880 O LYS A 126 -10.883 -14.675 1.965 1.00 1.09 O ATOM 1881 CB LYS A 126 -12.906 -14.393 4.159 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.726 -13.298 3.505 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.103 -13.659 2.079 1.00 0.88 C ATOM 1884 CE LYS A 126 -14.737 -12.484 1.367 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.333 -12.885 0.064 1.00 1.96 N ATOM 0 H LYS A 126 -11.991 -12.335 5.227 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.900 -14.956 4.649 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.049 -15.321 3.605 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.283 -14.563 5.168 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.630 -13.122 4.088 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.159 -12.367 3.508 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.215 -13.981 1.535 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -14.795 -14.501 2.085 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.509 -12.048 2.001 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -13.986 -11.711 1.201 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -15.758 -12.053 -0.394 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.592 -13.278 -0.551 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.067 -13.604 0.225 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.323 -12.604 2.679 1.00 0.63 N ATOM 1900 CA GLN A 127 -9.742 -12.142 1.425 1.00 0.64 C ATOM 1901 C GLN A 127 -10.823 -11.969 0.363 1.00 0.63 C ATOM 1902 O GLN A 127 -10.936 -12.764 -0.566 1.00 0.91 O ATOM 1903 CB GLN A 127 -8.633 -13.084 0.942 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.781 -12.499 -0.171 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.637 -13.410 -0.565 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -6.779 -14.258 -1.444 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -5.495 -13.244 0.084 1.00 1.62 N ATOM 0 H GLN A 127 -10.297 -11.905 3.421 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.285 -11.169 1.604 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -7.990 -13.338 1.785 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.083 -14.013 0.593 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.407 -12.310 -1.043 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.381 -11.537 0.149 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -5.419 -12.529 0.807 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -4.692 -13.832 -0.139 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.647 -10.937 0.534 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.673 -10.643 -0.440 1.00 0.50 C ATOM 1918 C GLY A 128 -12.345 -9.417 -1.260 1.00 0.45 C ATOM 1919 O GLY A 128 -13.204 -8.579 -1.499 1.00 0.77 O ATOM 0 H GLY A 128 -11.618 -10.302 1.332 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -12.798 -11.499 -1.103 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.624 -10.493 0.070 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.099 -9.300 -1.685 1.00 0.61 N ATOM 1924 CA PHE A 129 -10.655 -8.119 -2.387 1.00 0.63 C ATOM 1925 C PHE A 129 -11.117 -8.147 -3.850 1.00 0.58 C ATOM 1926 O PHE A 129 -10.941 -9.142 -4.555 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.127 -7.999 -2.295 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.358 -8.959 -3.163 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.206 -10.285 -2.795 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -7.776 -8.527 -4.347 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.493 -11.163 -3.589 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.063 -9.401 -5.144 1.00 0.89 C ATOM 1933 CZ PHE A 129 -6.920 -10.720 -4.765 1.00 1.14 C ATOM 0 H PHE A 129 -10.380 -10.011 -1.554 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.102 -7.243 -1.916 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -8.841 -6.982 -2.563 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -8.828 -8.151 -1.258 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.650 -10.638 -1.876 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.882 -7.495 -4.648 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.384 -12.195 -3.290 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.617 -9.052 -6.064 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.361 -11.404 -5.386 1.00 1.14 H new ATOM 1943 N THR A 130 -11.720 -7.057 -4.293 1.00 0.61 N ATOM 1944 CA THR A 130 -12.159 -6.936 -5.674 1.00 0.63 C ATOM 1945 C THR A 130 -11.500 -5.726 -6.344 1.00 0.60 C ATOM 1946 O THR A 130 -11.660 -4.593 -5.886 1.00 0.67 O ATOM 1947 CB THR A 130 -13.690 -6.789 -5.746 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.309 -7.800 -4.940 1.00 1.47 O ATOM 1949 CG2 THR A 130 -14.185 -6.907 -7.180 1.00 0.90 C ATOM 0 H THR A 130 -11.918 -6.240 -3.715 1.00 0.61 H new ATOM 0 HA THR A 130 -11.862 -7.843 -6.201 1.00 0.63 H new ATOM 0 HB THR A 130 -13.957 -5.801 -5.371 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.099 -7.427 -4.496 1.00 1.47 H new ATOM 0 HG21 THR A 130 -15.269 -6.799 -7.201 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.731 -6.124 -7.787 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.910 -7.882 -7.581 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.716 -5.954 -7.411 1.00 0.63 N ATOM 1958 CA PRO A 131 -10.067 -4.876 -8.172 1.00 0.65 C ATOM 1959 C PRO A 131 -11.080 -3.957 -8.853 1.00 0.63 C ATOM 1960 O PRO A 131 -11.927 -4.412 -9.618 1.00 0.75 O ATOM 1961 CB PRO A 131 -9.235 -5.619 -9.225 1.00 0.80 C ATOM 1962 CG PRO A 131 -9.125 -7.017 -8.722 1.00 0.92 C ATOM 1963 CD PRO A 131 -10.390 -7.278 -7.961 1.00 0.75 C ATOM 0 HA PRO A 131 -9.476 -4.228 -7.525 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -9.718 -5.589 -10.202 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -8.251 -5.164 -9.342 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -9.012 -7.721 -9.546 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.252 -7.134 -8.081 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -11.182 -7.653 -8.609 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -10.244 -8.018 -7.174 1.00 0.75 H new ATOM 1971 N SER A 132 -10.991 -2.672 -8.551 1.00 0.55 N ATOM 1972 CA SER A 132 -11.879 -1.671 -9.128 1.00 0.57 C ATOM 1973 C SER A 132 -11.216 -0.296 -9.094 1.00 0.56 C ATOM 1974 O SER A 132 -11.275 0.414 -8.084 1.00 0.73 O ATOM 1975 CB SER A 132 -13.221 -1.650 -8.385 1.00 0.64 C ATOM 1976 OG SER A 132 -13.072 -2.121 -7.053 1.00 1.52 O ATOM 0 H SER A 132 -10.303 -2.292 -7.901 1.00 0.55 H new ATOM 0 HA SER A 132 -12.074 -1.933 -10.168 1.00 0.57 H new ATOM 0 HB2 SER A 132 -13.619 -0.635 -8.373 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.944 -2.270 -8.915 1.00 0.64 H new ATOM 0 HG SER A 132 -13.932 -2.462 -6.729 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.565 0.056 -10.191 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.834 1.304 -10.263 1.00 0.57 C ATOM 1984 C GLY A 133 -8.593 1.164 -11.111 1.00 0.62 C ATOM 1985 O GLY A 133 -8.591 0.410 -12.087 1.00 1.17 O ATOM 0 H GLY A 133 -10.530 -0.506 -11.041 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.476 2.080 -10.679 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.557 1.624 -9.259 1.00 0.57 H new ATOM 1989 N THR A 134 -7.538 1.875 -10.751 1.00 0.62 N ATOM 1990 CA THR A 134 -6.294 1.798 -11.494 1.00 0.97 C ATOM 1991 C THR A 134 -5.209 1.092 -10.690 1.00 0.68 C ATOM 1992 O THR A 134 -5.282 1.008 -9.462 1.00 0.95 O ATOM 1993 CB THR A 134 -5.799 3.197 -11.905 1.00 1.77 C ATOM 1994 OG1 THR A 134 -5.727 4.056 -10.758 1.00 2.38 O ATOM 1995 CG2 THR A 134 -6.722 3.806 -12.949 1.00 2.47 C ATOM 0 H THR A 134 -7.519 2.509 -9.952 1.00 0.62 H new ATOM 0 HA THR A 134 -6.499 1.218 -12.394 1.00 0.97 H new ATOM 0 HB THR A 134 -4.803 3.094 -12.336 1.00 1.77 H new ATOM 0 HG1 THR A 134 -4.797 4.122 -10.457 1.00 2.38 H new ATOM 0 HG21 THR A 134 -6.355 4.794 -13.227 1.00 2.47 H new ATOM 0 HG22 THR A 134 -6.745 3.167 -13.831 1.00 2.47 H new ATOM 0 HG23 THR A 134 -7.728 3.894 -12.538 1.00 2.47 H new ATOM 2003 N THR A 135 -4.217 0.573 -11.393 1.00 0.72 N ATOM 2004 CA THR A 135 -3.082 -0.060 -10.756 1.00 0.70 C ATOM 2005 C THR A 135 -1.904 0.910 -10.717 1.00 0.64 C ATOM 2006 O THR A 135 -1.218 1.111 -11.719 1.00 0.88 O ATOM 2007 CB THR A 135 -2.680 -1.343 -11.509 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.852 -2.121 -11.793 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.711 -2.176 -10.685 1.00 1.27 C ATOM 0 H THR A 135 -4.178 0.579 -12.412 1.00 0.72 H new ATOM 0 HA THR A 135 -3.362 -0.331 -9.738 1.00 0.70 H new ATOM 0 HB THR A 135 -2.189 -1.056 -12.439 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.595 -2.936 -12.273 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.443 -3.076 -11.239 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.812 -1.594 -10.482 1.00 1.27 H new ATOM 0 HG23 THR A 135 -2.182 -2.457 -9.743 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.695 1.531 -9.568 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.635 2.506 -9.434 1.00 0.58 C ATOM 2019 C GLY A 136 0.634 1.884 -8.907 1.00 0.45 C ATOM 2020 O GLY A 136 0.602 0.805 -8.322 1.00 0.67 O ATOM 0 H GLY A 136 -2.243 1.376 -8.722 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.439 2.966 -10.403 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.956 3.302 -8.762 1.00 0.58 H new ATOM 2024 N THR A 137 1.754 2.550 -9.104 1.00 0.38 N ATOM 2025 CA THR A 137 3.032 2.005 -8.691 1.00 0.33 C ATOM 2026 C THR A 137 3.796 2.989 -7.812 1.00 0.33 C ATOM 2027 O THR A 137 4.258 4.029 -8.282 1.00 0.39 O ATOM 2028 CB THR A 137 3.889 1.631 -9.916 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.113 0.823 -10.814 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.140 0.872 -9.495 1.00 0.50 C ATOM 0 H THR A 137 1.806 3.468 -9.547 1.00 0.38 H new ATOM 0 HA THR A 137 2.829 1.106 -8.110 1.00 0.33 H new ATOM 0 HB THR A 137 4.197 2.549 -10.416 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.657 0.586 -11.594 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.727 0.620 -10.378 1.00 0.50 H new ATOM 0 HG22 THR A 137 5.736 1.495 -8.828 1.00 0.50 H new ATOM 0 HG23 THR A 137 4.853 -0.043 -8.977 1.00 0.50 H new ATOM 2038 N THR A 138 3.904 2.665 -6.533 1.00 0.32 N ATOM 2039 CA THR A 138 4.715 3.444 -5.622 1.00 0.36 C ATOM 2040 C THR A 138 6.165 3.005 -5.765 1.00 0.37 C ATOM 2041 O THR A 138 6.499 1.847 -5.527 1.00 0.38 O ATOM 2042 CB THR A 138 4.254 3.265 -4.161 1.00 0.39 C ATOM 2043 OG1 THR A 138 2.820 3.267 -4.104 1.00 0.40 O ATOM 2044 CG2 THR A 138 4.792 4.385 -3.284 1.00 0.52 C ATOM 0 H THR A 138 3.437 1.865 -6.105 1.00 0.32 H new ATOM 0 HA THR A 138 4.610 4.500 -5.873 1.00 0.36 H new ATOM 0 HB THR A 138 4.640 2.314 -3.793 1.00 0.39 H new ATOM 0 HG1 THR A 138 2.529 3.151 -3.175 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.454 4.238 -2.258 1.00 0.52 H new ATOM 0 HG22 THR A 138 5.882 4.377 -3.312 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.426 5.343 -3.653 1.00 0.52 H new ATOM 2052 N LYS A 139 7.017 3.907 -6.206 1.00 0.41 N ATOM 2053 CA LYS A 139 8.405 3.562 -6.431 1.00 0.44 C ATOM 2054 C LYS A 139 9.295 4.270 -5.437 1.00 0.44 C ATOM 2055 O LYS A 139 9.482 5.485 -5.499 1.00 0.49 O ATOM 2056 CB LYS A 139 8.811 3.913 -7.861 1.00 0.53 C ATOM 2057 CG LYS A 139 10.183 3.388 -8.258 1.00 0.59 C ATOM 2058 CD LYS A 139 10.516 3.732 -9.701 1.00 1.21 C ATOM 2059 CE LYS A 139 9.546 3.073 -10.671 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.785 3.506 -12.072 1.00 2.18 N ATOM 0 H LYS A 139 6.776 4.876 -6.414 1.00 0.41 H new ATOM 0 HA LYS A 139 8.524 2.488 -6.290 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.066 3.512 -8.549 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.800 4.997 -7.976 1.00 0.53 H new ATOM 0 HG2 LYS A 139 10.940 3.811 -7.598 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.212 2.307 -8.125 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.487 4.813 -9.834 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.533 3.411 -9.927 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.645 1.990 -10.604 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.523 3.318 -10.385 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.104 3.035 -12.702 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.666 4.537 -12.142 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.753 3.250 -12.354 1.00 2.18 H new ATOM 2074 N LEU A 140 9.830 3.496 -4.520 1.00 0.45 N ATOM 2075 CA LEU A 140 10.771 3.999 -3.551 1.00 0.44 C ATOM 2076 C LEU A 140 12.186 3.716 -4.038 1.00 0.39 C ATOM 2077 O LEU A 140 12.631 2.570 -4.083 1.00 0.40 O ATOM 2078 CB LEU A 140 10.509 3.367 -2.180 1.00 0.46 C ATOM 2079 CG LEU A 140 11.668 3.468 -1.193 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.985 4.924 -0.870 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.360 2.692 0.077 1.00 0.62 C ATOM 0 H LEU A 140 9.624 2.501 -4.427 1.00 0.45 H new ATOM 0 HA LEU A 140 10.651 5.077 -3.440 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.633 3.842 -1.739 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.263 2.315 -2.322 1.00 0.46 H new ATOM 0 HG LEU A 140 12.548 3.027 -1.660 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.815 4.968 -0.164 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.259 5.448 -1.785 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.108 5.398 -0.429 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.199 2.777 0.768 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.463 3.099 0.544 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.197 1.643 -0.168 1.00 0.62 H new ATOM 2093 N THR A 141 12.873 4.769 -4.428 1.00 0.39 N ATOM 2094 CA THR A 141 14.173 4.641 -5.053 1.00 0.38 C ATOM 2095 C THR A 141 15.234 5.390 -4.260 1.00 0.34 C ATOM 2096 O THR A 141 14.959 6.437 -3.679 1.00 0.40 O ATOM 2097 CB THR A 141 14.127 5.199 -6.485 1.00 0.48 C ATOM 2098 OG1 THR A 141 12.947 4.726 -7.144 1.00 0.58 O ATOM 2099 CG2 THR A 141 15.353 4.780 -7.283 1.00 0.54 C ATOM 0 H THR A 141 12.550 5.731 -4.322 1.00 0.39 H new ATOM 0 HA THR A 141 14.432 3.582 -5.077 1.00 0.38 H new ATOM 0 HB THR A 141 14.114 6.287 -6.425 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.040 3.769 -7.334 1.00 0.58 H new ATOM 0 HG21 THR A 141 15.289 5.191 -8.291 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.252 5.156 -6.794 1.00 0.54 H new ATOM 0 HG23 THR A 141 15.398 3.692 -7.337 1.00 0.54 H new ATOM 2107 N VAL A 142 16.436 4.842 -4.219 1.00 0.44 N ATOM 2108 CA VAL A 142 17.554 5.545 -3.622 1.00 0.57 C ATOM 2109 C VAL A 142 18.152 6.507 -4.643 1.00 0.77 C ATOM 2110 O VAL A 142 18.201 6.207 -5.840 1.00 1.10 O ATOM 2111 CB VAL A 142 18.640 4.571 -3.105 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.287 3.808 -4.252 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.690 5.315 -2.294 1.00 1.74 C ATOM 0 H VAL A 142 16.660 3.919 -4.590 1.00 0.44 H new ATOM 0 HA VAL A 142 17.183 6.102 -2.762 1.00 0.57 H new ATOM 0 HB VAL A 142 18.154 3.845 -2.453 1.00 0.80 H new ATOM 0 HG11 VAL A 142 20.045 3.132 -3.857 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.527 3.232 -4.780 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.752 4.513 -4.941 1.00 1.69 H new ATOM 0 HG21 VAL A 142 20.443 4.611 -1.941 1.00 1.74 H new ATOM 0 HG22 VAL A 142 20.165 6.071 -2.920 1.00 1.74 H new ATOM 0 HG23 VAL A 142 19.215 5.797 -1.440 1.00 1.74 H new ATOM 2123 N THR A 143 18.559 7.675 -4.180 1.00 0.85 N ATOM 2124 CA THR A 143 19.166 8.668 -5.043 1.00 1.18 C ATOM 2125 C THR A 143 20.249 9.416 -4.282 1.00 1.82 C ATOM 2126 O THR A 143 19.907 10.173 -3.357 1.00 2.22 O ATOM 2127 CB THR A 143 18.113 9.660 -5.584 1.00 1.54 C ATOM 2128 OG1 THR A 143 17.080 8.937 -6.270 1.00 2.04 O ATOM 2129 CG2 THR A 143 18.742 10.668 -6.536 1.00 1.94 C ATOM 2130 OXT THR A 143 21.439 9.224 -4.599 1.00 2.58 O ATOM 0 H THR A 143 18.479 7.959 -3.204 1.00 0.85 H new ATOM 0 HA THR A 143 19.610 8.155 -5.896 1.00 1.18 H new ATOM 0 HB THR A 143 17.692 10.203 -4.738 1.00 1.54 H new ATOM 0 HG1 THR A 143 16.411 9.567 -6.612 1.00 2.04 H new ATOM 0 HG21 THR A 143 17.976 11.352 -6.900 1.00 1.94 H new ATOM 0 HG22 THR A 143 19.513 11.232 -6.011 1.00 1.94 H new ATOM 0 HG23 THR A 143 19.189 10.142 -7.380 1.00 1.94 H new