USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 8 HIS : no HE2:sc= -0.703 K(o=-1.4,f=-4.5!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 169:sc= -0.65 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.74 K(o=-2.7,f=-6.8!) USER MOD Single : A 24 HIS : no HE2:sc= 0.0626 K(o=0.063,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -61:sc= 0.506 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -56:sc= 0.294 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 120:sc= -1.26 USER MOD Single : A 71 SER OG : rot 105:sc= 0.349 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -167:sc= 1.26 USER MOD Single : A 82 TYR OH : rot -15:sc= -0.907! USER MOD Single : A 84 THR OG1 : rot -74:sc= -2.92! USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= -0.691 (180deg=-1.55) USER MOD Single : A 90 ASN : amide:sc= -4.03 K(o=-4,f=-6.5!) USER MOD Single : A 93 THR OG1 : rot 28:sc= -0.052 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 162:sc=-0.00999 (180deg=-0.431) USER MOD Single : A 99 TYR OH : rot 138:sc= 0.184! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 62:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.998 10.523 15.710 1.00 7.08 N ATOM 2 CA ASP A 1 -8.560 10.893 15.844 1.00 6.65 C ATOM 3 C ASP A 1 -7.715 9.643 16.104 1.00 5.96 C ATOM 4 O ASP A 1 -8.234 8.565 16.317 1.00 6.16 O ATOM 5 CB ASP A 1 -8.503 11.838 17.043 1.00 7.15 C ATOM 6 CG ASP A 1 -7.761 11.156 18.195 1.00 7.15 C ATOM 7 OD1 ASP A 1 -6.542 11.142 18.160 1.00 7.37 O ATOM 8 OD2 ASP A 1 -8.425 10.661 19.091 1.00 7.22 O ATOM 0 H1 ASP A 1 -10.562 11.379 15.534 1.00 7.08 H new ATOM 0 H2 ASP A 1 -10.114 9.862 14.915 1.00 7.08 H new ATOM 0 H3 ASP A 1 -10.323 10.069 16.587 1.00 7.08 H new ATOM 0 HA ASP A 1 -8.168 11.359 14.940 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -7.997 12.763 16.767 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -9.512 12.108 17.355 1.00 7.15 H new ATOM 15 N ALA A 2 -6.414 9.781 16.092 1.00 5.41 N ATOM 16 CA ALA A 2 -5.529 8.603 16.341 1.00 4.78 C ATOM 17 C ALA A 2 -5.829 7.485 15.331 1.00 3.77 C ATOM 18 O ALA A 2 -6.823 6.798 15.453 1.00 3.42 O ATOM 19 CB ALA A 2 -5.859 8.143 17.763 1.00 5.00 C ATOM 0 H ALA A 2 -5.926 10.660 15.920 1.00 5.41 H new ATOM 0 HA ALA A 2 -4.474 8.855 16.231 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -5.246 7.278 18.017 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -5.654 8.952 18.464 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -6.913 7.870 17.822 1.00 5.00 H new ATOM 25 N PRO A 3 -4.954 7.331 14.365 1.00 3.56 N ATOM 26 CA PRO A 3 -5.146 6.276 13.340 1.00 2.78 C ATOM 27 C PRO A 3 -4.894 4.895 13.952 1.00 2.04 C ATOM 28 O PRO A 3 -4.114 4.748 14.872 1.00 2.31 O ATOM 29 CB PRO A 3 -4.098 6.605 12.281 1.00 3.38 C ATOM 30 CG PRO A 3 -3.039 7.368 13.012 1.00 4.09 C ATOM 31 CD PRO A 3 -3.722 8.102 14.137 1.00 4.30 C ATOM 0 HA PRO A 3 -6.156 6.250 12.932 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.693 5.699 11.831 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -4.526 7.198 11.473 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -2.275 6.693 13.399 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -2.537 8.068 12.344 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -3.099 8.133 15.031 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -3.941 9.135 13.866 1.00 4.30 H new ATOM 39 N GLU A 4 -5.548 3.883 13.452 1.00 1.37 N ATOM 40 CA GLU A 4 -5.345 2.517 14.012 1.00 1.14 C ATOM 41 C GLU A 4 -4.292 1.759 13.198 1.00 0.89 C ATOM 42 O GLU A 4 -4.120 1.993 12.018 1.00 1.30 O ATOM 43 CB GLU A 4 -6.707 1.836 13.894 1.00 1.67 C ATOM 44 CG GLU A 4 -6.867 0.813 15.020 1.00 2.39 C ATOM 45 CD GLU A 4 -5.696 0.943 15.997 1.00 2.65 C ATOM 46 OE1 GLU A 4 -5.569 1.994 16.603 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.946 -0.011 16.122 1.00 3.09 O ATOM 0 H GLU A 4 -6.213 3.943 12.681 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.989 2.542 15.042 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.503 2.579 13.948 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.796 1.343 12.926 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.810 0.975 15.542 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.900 -0.195 14.608 1.00 2.39 H new ATOM 54 N GLU A 5 -3.587 0.851 13.819 1.00 1.00 N ATOM 55 CA GLU A 5 -2.547 0.076 13.083 1.00 0.81 C ATOM 56 C GLU A 5 -2.774 -1.426 13.281 1.00 0.87 C ATOM 57 O GLU A 5 -3.471 -1.841 14.186 1.00 1.15 O ATOM 58 CB GLU A 5 -1.217 0.500 13.708 1.00 0.95 C ATOM 59 CG GLU A 5 -0.881 1.932 13.285 1.00 1.46 C ATOM 60 CD GLU A 5 0.557 1.984 12.763 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.923 1.101 12.005 1.00 2.50 O ATOM 62 OE2 GLU A 5 1.268 2.904 13.132 1.00 2.19 O ATOM 0 H GLU A 5 -3.687 0.613 14.806 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.572 0.267 12.010 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.278 0.436 14.794 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.424 -0.178 13.393 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.573 2.266 12.512 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.997 2.610 14.131 1.00 1.46 H new ATOM 69 N GLU A 6 -2.194 -2.243 12.446 1.00 0.79 N ATOM 70 CA GLU A 6 -2.379 -3.713 12.595 1.00 1.04 C ATOM 71 C GLU A 6 -1.074 -4.366 13.057 1.00 1.10 C ATOM 72 O GLU A 6 -0.903 -4.686 14.218 1.00 1.76 O ATOM 73 CB GLU A 6 -2.760 -4.206 11.200 1.00 1.28 C ATOM 74 CG GLU A 6 -4.260 -4.002 10.979 1.00 1.68 C ATOM 75 CD GLU A 6 -4.859 -5.258 10.345 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.386 -5.649 9.292 1.00 2.63 O ATOM 77 OE2 GLU A 6 -5.782 -5.807 10.925 1.00 2.24 O ATOM 0 H GLU A 6 -1.600 -1.956 11.668 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.138 -3.961 13.337 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.193 -3.663 10.443 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.506 -5.261 11.093 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.753 -3.791 11.928 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.429 -3.140 10.333 1.00 1.68 H new ATOM 84 N ASP A 7 -0.148 -4.563 12.158 1.00 1.27 N ATOM 85 CA ASP A 7 1.148 -5.192 12.543 1.00 1.35 C ATOM 86 C ASP A 7 2.298 -4.211 12.301 1.00 1.28 C ATOM 87 O ASP A 7 2.872 -3.669 13.226 1.00 2.01 O ATOM 88 CB ASP A 7 1.284 -6.412 11.631 1.00 1.53 C ATOM 89 CG ASP A 7 1.036 -7.685 12.442 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.567 -7.780 13.536 1.00 2.57 O ATOM 91 OD2 ASP A 7 0.321 -8.544 11.953 1.00 2.36 O ATOM 0 H ASP A 7 -0.233 -4.315 11.172 1.00 1.27 H new ATOM 0 HA ASP A 7 1.178 -5.468 13.597 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.571 -6.347 10.810 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.279 -6.439 11.187 1.00 1.53 H new ATOM 96 N HIS A 8 2.635 -3.976 11.064 1.00 1.21 N ATOM 97 CA HIS A 8 3.743 -3.027 10.757 1.00 1.11 C ATOM 98 C HIS A 8 3.358 -2.148 9.566 1.00 0.81 C ATOM 99 O HIS A 8 4.196 -1.734 8.789 1.00 0.87 O ATOM 100 CB HIS A 8 4.940 -3.914 10.411 1.00 1.32 C ATOM 101 CG HIS A 8 5.899 -3.937 11.568 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.265 -5.114 12.205 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.578 -2.934 12.217 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.127 -4.792 13.188 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.353 -3.476 13.238 1.00 2.33 N ATOM 0 H HIS A 8 2.191 -4.401 10.250 1.00 1.21 H new ATOM 0 HA HIS A 8 3.964 -2.359 11.589 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.603 -4.925 10.184 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.439 -3.537 9.519 1.00 1.32 H new ATOM 0 HD1 HIS A 8 5.940 -6.052 11.971 1.00 2.30 H new ATOM 0 HD2 HIS A 8 6.519 -1.884 11.972 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.581 -5.510 13.855 1.00 2.53 H new ATOM 113 N VAL A 9 2.093 -1.864 9.414 1.00 0.69 N ATOM 114 CA VAL A 9 1.647 -1.016 8.271 1.00 0.49 C ATOM 115 C VAL A 9 0.498 -0.104 8.714 1.00 0.41 C ATOM 116 O VAL A 9 -0.051 -0.262 9.786 1.00 0.54 O ATOM 117 CB VAL A 9 1.185 -2.016 7.210 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.519 -1.275 6.049 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.399 -2.790 6.689 1.00 0.89 C ATOM 0 H VAL A 9 1.348 -2.183 10.033 1.00 0.69 H new ATOM 0 HA VAL A 9 2.433 -0.361 7.894 1.00 0.49 H new ATOM 0 HB VAL A 9 0.466 -2.706 7.652 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.193 -1.994 5.298 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.343 -0.720 6.418 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.232 -0.582 5.603 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.077 -3.505 5.932 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.113 -2.094 6.250 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.872 -3.323 7.514 1.00 0.89 H new ATOM 129 N LEU A 10 0.137 0.857 7.905 1.00 0.41 N ATOM 130 CA LEU A 10 -0.969 1.779 8.300 1.00 0.54 C ATOM 131 C LEU A 10 -2.238 1.486 7.496 1.00 0.42 C ATOM 132 O LEU A 10 -2.186 1.131 6.337 1.00 0.59 O ATOM 133 CB LEU A 10 -0.451 3.181 7.976 1.00 0.83 C ATOM 134 CG LEU A 10 -0.735 4.118 9.153 1.00 0.96 C ATOM 135 CD1 LEU A 10 -2.241 4.156 9.423 1.00 1.30 C ATOM 136 CD2 LEU A 10 -0.004 3.613 10.398 1.00 1.49 C ATOM 0 H LEU A 10 0.556 1.043 6.994 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.232 1.666 9.352 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.620 3.147 7.776 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.932 3.558 7.074 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.384 5.121 8.911 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -2.444 4.823 10.261 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.761 4.519 8.536 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -2.593 3.153 9.664 1.00 1.30 H new ATOM 0 HD21 LEU A 10 -0.207 4.281 11.235 1.00 1.49 H new ATOM 0 HD22 LEU A 10 -0.352 2.609 10.642 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.069 3.588 10.205 1.00 1.49 H new ATOM 148 N VAL A 11 -3.381 1.646 8.102 1.00 0.54 N ATOM 149 CA VAL A 11 -4.655 1.391 7.370 1.00 0.46 C ATOM 150 C VAL A 11 -5.273 2.724 6.941 1.00 0.43 C ATOM 151 O VAL A 11 -5.172 3.715 7.636 1.00 0.54 O ATOM 152 CB VAL A 11 -5.556 0.670 8.371 1.00 0.61 C ATOM 153 CG1 VAL A 11 -4.913 -0.663 8.760 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.733 1.535 9.619 1.00 1.39 C ATOM 0 H VAL A 11 -3.489 1.942 9.072 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.510 0.797 6.468 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.531 0.488 7.918 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.553 -1.181 9.474 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -4.789 -1.280 7.870 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -3.939 -0.479 9.213 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.376 1.018 10.331 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.760 1.719 10.075 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -6.189 2.485 9.341 1.00 1.39 H new ATOM 164 N LEU A 12 -5.902 2.762 5.800 1.00 0.40 N ATOM 165 CA LEU A 12 -6.510 4.042 5.332 1.00 0.45 C ATOM 166 C LEU A 12 -8.033 3.924 5.280 1.00 0.44 C ATOM 167 O LEU A 12 -8.593 2.869 5.504 1.00 0.58 O ATOM 168 CB LEU A 12 -5.938 4.261 3.933 1.00 0.63 C ATOM 169 CG LEU A 12 -4.413 4.341 4.016 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.838 4.573 2.617 1.00 1.16 C ATOM 171 CD2 LEU A 12 -4.012 5.499 4.933 1.00 0.82 C ATOM 0 H LEU A 12 -6.022 1.967 5.172 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.285 4.873 6.000 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.235 3.445 3.274 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.339 5.179 3.504 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.021 3.407 4.419 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.751 4.630 2.675 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.124 3.748 1.965 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.229 5.507 2.213 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.925 5.556 4.993 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.403 6.434 4.531 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.422 5.333 5.929 1.00 0.82 H new ATOM 183 N ARG A 13 -8.708 5.000 4.983 1.00 0.47 N ATOM 184 CA ARG A 13 -10.197 4.942 4.917 1.00 0.55 C ATOM 185 C ARG A 13 -10.757 6.122 4.107 1.00 0.54 C ATOM 186 O ARG A 13 -10.145 6.591 3.168 1.00 0.73 O ATOM 187 CB ARG A 13 -10.664 4.992 6.376 1.00 0.69 C ATOM 188 CG ARG A 13 -10.358 6.363 6.981 1.00 1.19 C ATOM 189 CD ARG A 13 -10.433 6.270 8.506 1.00 1.28 C ATOM 190 NE ARG A 13 -10.455 7.684 8.975 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.131 8.004 10.045 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.024 7.280 11.125 1.00 2.84 N ATOM 193 NH2 ARG A 13 -11.916 9.047 10.034 1.00 2.68 N ATOM 0 H ARG A 13 -8.297 5.912 4.784 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.550 4.042 4.414 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.734 4.793 6.430 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.165 4.213 6.952 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.367 6.696 6.674 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.070 7.102 6.615 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.326 5.734 8.826 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -9.576 5.732 8.912 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.943 8.401 8.461 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.412 6.464 11.133 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -11.552 7.530 11.961 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -12.001 9.612 9.189 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -12.444 9.297 10.870 1.00 2.68 H new ATOM 207 N LYS A 14 -11.931 6.583 4.451 1.00 0.58 N ATOM 208 CA LYS A 14 -12.561 7.709 3.694 1.00 0.63 C ATOM 209 C LYS A 14 -11.713 8.989 3.738 1.00 0.65 C ATOM 210 O LYS A 14 -11.934 9.901 2.965 1.00 0.83 O ATOM 211 CB LYS A 14 -13.899 7.945 4.395 1.00 0.74 C ATOM 212 CG LYS A 14 -15.044 7.489 3.487 1.00 1.26 C ATOM 213 CD LYS A 14 -16.229 8.447 3.639 1.00 1.92 C ATOM 214 CE LYS A 14 -17.489 7.651 3.992 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.395 7.406 5.458 1.00 2.80 N ATOM 0 H LYS A 14 -12.485 6.226 5.229 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.665 7.459 2.638 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.929 7.397 5.337 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.013 9.002 4.637 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.712 7.466 2.449 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.347 6.475 3.747 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.020 9.180 4.418 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.384 9.001 2.713 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -18.391 8.210 3.743 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.531 6.714 3.438 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.225 6.865 5.773 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.531 6.866 5.665 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.364 8.316 5.961 1.00 2.80 H new ATOM 229 N SER A 15 -10.766 9.089 4.632 1.00 0.68 N ATOM 230 CA SER A 15 -9.953 10.344 4.695 1.00 0.88 C ATOM 231 C SER A 15 -8.463 10.058 4.922 1.00 0.81 C ATOM 232 O SER A 15 -7.612 10.791 4.459 1.00 1.05 O ATOM 233 CB SER A 15 -10.527 11.124 5.878 1.00 1.10 C ATOM 234 OG SER A 15 -10.901 12.425 5.450 1.00 1.68 O ATOM 0 H SER A 15 -10.521 8.370 5.313 1.00 0.68 H new ATOM 0 HA SER A 15 -10.009 10.894 3.755 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.392 10.601 6.287 1.00 1.10 H new ATOM 0 HB3 SER A 15 -9.788 11.191 6.676 1.00 1.10 H new ATOM 0 HG SER A 15 -11.271 12.925 6.208 1.00 1.68 H new ATOM 240 N ASN A 16 -8.131 9.018 5.637 1.00 0.65 N ATOM 241 CA ASN A 16 -6.687 8.729 5.887 1.00 0.68 C ATOM 242 C ASN A 16 -5.945 8.542 4.565 1.00 0.55 C ATOM 243 O ASN A 16 -4.772 8.834 4.456 1.00 0.56 O ATOM 244 CB ASN A 16 -6.662 7.438 6.702 1.00 0.87 C ATOM 245 CG ASN A 16 -7.396 7.650 8.024 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.919 8.716 8.280 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.457 6.669 8.881 1.00 0.98 N ATOM 0 H ASN A 16 -8.789 8.361 6.056 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.196 9.547 6.414 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.132 6.632 6.139 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.632 7.136 6.891 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.944 6.796 9.768 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.017 5.775 8.664 1.00 0.98 H new ATOM 254 N PHE A 17 -6.617 8.059 3.560 1.00 0.55 N ATOM 255 CA PHE A 17 -5.939 7.860 2.251 1.00 0.51 C ATOM 256 C PHE A 17 -5.379 9.192 1.744 1.00 0.46 C ATOM 257 O PHE A 17 -4.184 9.373 1.639 1.00 0.52 O ATOM 258 CB PHE A 17 -7.027 7.341 1.313 1.00 0.56 C ATOM 259 CG PHE A 17 -6.398 6.921 0.008 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.895 7.889 -0.871 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.322 5.564 -0.328 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.315 7.498 -2.084 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.745 5.175 -1.541 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.220 6.142 -2.409 1.00 0.87 C ATOM 0 H PHE A 17 -7.602 7.794 3.587 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.101 7.167 2.319 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.545 6.497 1.769 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.773 8.116 1.138 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.955 8.936 -0.613 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.709 4.817 0.350 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.941 8.245 -2.769 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.704 4.130 -1.809 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.742 5.839 -3.329 1.00 0.87 H new ATOM 274 N ALA A 18 -6.235 10.127 1.435 1.00 0.52 N ATOM 275 CA ALA A 18 -5.749 11.447 0.939 1.00 0.66 C ATOM 276 C ALA A 18 -4.758 12.051 1.937 1.00 0.59 C ATOM 277 O ALA A 18 -3.807 12.709 1.566 1.00 0.75 O ATOM 278 CB ALA A 18 -7.002 12.317 0.836 1.00 0.84 C ATOM 0 H ALA A 18 -7.248 10.035 1.504 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.230 11.365 -0.016 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.728 13.309 0.476 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.706 11.860 0.140 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.467 12.403 1.818 1.00 0.84 H new ATOM 284 N GLU A 19 -4.975 11.826 3.202 1.00 0.46 N ATOM 285 CA GLU A 19 -4.052 12.378 4.233 1.00 0.49 C ATOM 286 C GLU A 19 -2.715 11.639 4.192 1.00 0.48 C ATOM 287 O GLU A 19 -1.658 12.238 4.162 1.00 0.56 O ATOM 288 CB GLU A 19 -4.755 12.114 5.562 1.00 0.55 C ATOM 289 CG GLU A 19 -4.028 12.859 6.683 1.00 0.69 C ATOM 290 CD GLU A 19 -4.939 12.951 7.909 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.157 11.930 8.538 1.00 1.78 O ATOM 292 OE2 GLU A 19 -5.400 14.042 8.199 1.00 1.66 O ATOM 0 H GLU A 19 -5.755 11.281 3.568 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.841 13.436 4.077 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.793 12.442 5.507 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.769 11.044 5.772 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.105 12.339 6.941 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.749 13.858 6.349 1.00 0.69 H new ATOM 299 N ALA A 20 -2.761 10.339 4.202 1.00 0.45 N ATOM 300 CA ALA A 20 -1.506 9.537 4.174 1.00 0.53 C ATOM 301 C ALA A 20 -0.598 9.997 3.032 1.00 0.57 C ATOM 302 O ALA A 20 0.598 10.132 3.195 1.00 0.71 O ATOM 303 CB ALA A 20 -1.970 8.096 3.947 1.00 0.57 C ATOM 0 H ALA A 20 -3.621 9.791 4.229 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.928 9.644 5.092 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.103 7.436 3.913 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.626 7.792 4.763 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.512 8.033 3.003 1.00 0.57 H new ATOM 309 N LEU A 21 -1.157 10.242 1.881 1.00 0.55 N ATOM 310 CA LEU A 21 -0.320 10.691 0.729 1.00 0.69 C ATOM 311 C LEU A 21 0.303 12.055 1.029 1.00 0.75 C ATOM 312 O LEU A 21 1.494 12.250 0.901 1.00 0.92 O ATOM 313 CB LEU A 21 -1.274 10.799 -0.464 1.00 0.74 C ATOM 314 CG LEU A 21 -1.996 9.467 -0.693 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.881 9.572 -1.934 1.00 0.90 C ATOM 316 CD2 LEU A 21 -0.973 8.355 -0.899 1.00 1.44 C ATOM 0 H LEU A 21 -2.154 10.152 1.686 1.00 0.55 H new ATOM 0 HA LEU A 21 0.496 9.996 0.531 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.003 11.589 -0.284 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.717 11.077 -1.359 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.610 9.239 0.178 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.394 8.624 -2.096 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.617 10.363 -1.790 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.264 9.804 -2.802 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.491 7.410 -1.061 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.356 8.585 -1.768 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.340 8.275 -0.015 1.00 1.44 H new ATOM 328 N ALA A 22 -0.500 13.001 1.423 1.00 0.71 N ATOM 329 CA ALA A 22 0.034 14.359 1.728 1.00 0.85 C ATOM 330 C ALA A 22 1.092 14.285 2.833 1.00 0.89 C ATOM 331 O ALA A 22 2.183 14.802 2.696 1.00 1.08 O ATOM 332 CB ALA A 22 -1.178 15.162 2.202 1.00 1.00 C ATOM 0 H ALA A 22 -1.507 12.894 1.548 1.00 0.71 H new ATOM 0 HA ALA A 22 0.516 14.814 0.862 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.868 16.178 2.447 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.927 15.192 1.410 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.604 14.689 3.087 1.00 1.00 H new ATOM 338 N ALA A 23 0.777 13.652 3.930 1.00 0.86 N ATOM 339 CA ALA A 23 1.764 13.553 5.045 1.00 0.93 C ATOM 340 C ALA A 23 3.105 13.019 4.529 1.00 0.85 C ATOM 341 O ALA A 23 4.016 13.773 4.252 1.00 0.95 O ATOM 342 CB ALA A 23 1.140 12.573 6.040 1.00 1.05 C ATOM 0 H ALA A 23 -0.120 13.199 4.103 1.00 0.86 H new ATOM 0 HA ALA A 23 1.968 14.522 5.500 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.807 12.446 6.892 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.182 12.964 6.384 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.985 11.610 5.554 1.00 1.05 H new ATOM 348 N HIS A 24 3.236 11.727 4.400 1.00 0.83 N ATOM 349 CA HIS A 24 4.521 11.154 3.905 1.00 0.84 C ATOM 350 C HIS A 24 4.622 11.310 2.386 1.00 0.82 C ATOM 351 O HIS A 24 3.734 11.837 1.746 1.00 1.30 O ATOM 352 CB HIS A 24 4.462 9.677 4.289 1.00 0.95 C ATOM 353 CG HIS A 24 4.395 9.551 5.786 1.00 1.22 C ATOM 354 ND1 HIS A 24 3.193 9.545 6.474 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.374 9.425 6.740 1.00 1.84 C ATOM 356 CE1 HIS A 24 3.476 9.420 7.784 1.00 2.04 C ATOM 357 NE2 HIS A 24 4.792 9.341 8.001 1.00 2.00 N ATOM 0 H HIS A 24 2.510 11.044 4.616 1.00 0.83 H new ATOM 0 HA HIS A 24 5.390 11.655 4.331 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.590 9.206 3.834 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.340 9.156 3.908 1.00 0.95 H new ATOM 0 HD1 HIS A 24 2.263 9.621 6.063 1.00 1.80 H new ATOM 0 HD2 HIS A 24 6.435 9.396 6.542 1.00 1.84 H new ATOM 0 HE1 HIS A 24 2.730 9.388 8.565 1.00 2.04 H new ATOM 365 N LYS A 25 5.696 10.854 1.803 1.00 0.72 N ATOM 366 CA LYS A 25 5.847 10.976 0.325 1.00 0.69 C ATOM 367 C LYS A 25 5.369 9.693 -0.361 1.00 0.59 C ATOM 368 O LYS A 25 4.342 9.674 -1.010 1.00 0.68 O ATOM 369 CB LYS A 25 7.343 11.183 0.093 1.00 0.81 C ATOM 370 CG LYS A 25 7.731 12.603 0.512 1.00 1.20 C ATOM 371 CD LYS A 25 9.244 12.676 0.723 1.00 1.51 C ATOM 372 CE LYS A 25 9.620 11.901 1.988 1.00 2.06 C ATOM 373 NZ LYS A 25 11.053 12.228 2.226 1.00 2.47 N ATOM 0 H LYS A 25 6.474 10.403 2.284 1.00 0.72 H new ATOM 0 HA LYS A 25 5.256 11.795 -0.084 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.915 10.454 0.666 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.585 11.023 -0.958 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.425 13.316 -0.253 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.211 12.878 1.430 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.763 12.259 -0.140 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.560 13.715 0.813 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.001 12.201 2.834 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.477 10.829 1.852 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.385 11.733 3.078 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.619 11.925 1.407 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.158 13.254 2.359 1.00 2.47 H new ATOM 387 N TYR A 26 6.102 8.622 -0.223 1.00 0.52 N ATOM 388 CA TYR A 26 5.680 7.345 -0.869 1.00 0.48 C ATOM 389 C TYR A 26 4.687 6.605 0.030 1.00 0.46 C ATOM 390 O TYR A 26 5.018 6.183 1.121 1.00 0.53 O ATOM 391 CB TYR A 26 6.965 6.531 -1.032 1.00 0.56 C ATOM 392 CG TYR A 26 7.988 7.347 -1.788 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.689 7.828 -3.067 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.234 7.618 -1.210 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.637 8.583 -3.770 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.182 8.372 -1.912 1.00 1.31 C ATOM 397 CZ TYR A 26 9.883 8.861 -3.187 1.00 1.08 C ATOM 398 OH TYR A 26 10.817 9.598 -3.885 1.00 1.33 O ATOM 0 H TYR A 26 6.972 8.575 0.307 1.00 0.52 H new ATOM 0 HA TYR A 26 5.184 7.512 -1.825 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.358 6.252 -0.054 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.756 5.605 -1.567 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.728 7.617 -3.512 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.464 7.245 -0.223 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.409 8.951 -4.760 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.145 8.576 -1.468 1.00 1.31 H new ATOM 0 HH TYR A 26 11.625 9.702 -3.340 1.00 1.33 H new ATOM 408 N LEU A 27 3.471 6.447 -0.416 1.00 0.46 N ATOM 409 CA LEU A 27 2.458 5.737 0.418 1.00 0.45 C ATOM 410 C LEU A 27 1.915 4.517 -0.327 1.00 0.40 C ATOM 411 O LEU A 27 1.248 4.640 -1.334 1.00 0.50 O ATOM 412 CB LEU A 27 1.336 6.751 0.635 1.00 0.51 C ATOM 413 CG LEU A 27 1.691 7.704 1.778 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.950 6.907 3.056 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.941 8.503 1.409 1.00 1.93 C ATOM 0 H LEU A 27 3.135 6.778 -1.320 1.00 0.46 H new ATOM 0 HA LEU A 27 2.884 5.382 1.356 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.168 7.318 -0.281 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.406 6.230 0.863 1.00 0.51 H new ATOM 0 HG LEU A 27 0.860 8.389 1.946 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.202 7.591 3.866 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.055 6.344 3.321 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.778 6.217 2.893 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.193 9.182 2.224 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.772 7.819 1.236 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.751 9.079 0.503 1.00 1.93 H new ATOM 427 N LEU A 28 2.180 3.340 0.165 1.00 0.33 N ATOM 428 CA LEU A 28 1.659 2.122 -0.516 1.00 0.32 C ATOM 429 C LEU A 28 0.277 1.778 0.040 1.00 0.29 C ATOM 430 O LEU A 28 0.028 1.907 1.218 1.00 0.35 O ATOM 431 CB LEU A 28 2.673 1.022 -0.191 1.00 0.40 C ATOM 432 CG LEU A 28 3.046 0.263 -1.465 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.808 -0.454 -2.004 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.570 1.245 -2.516 1.00 0.73 C ATOM 0 H LEU A 28 2.732 3.168 1.005 1.00 0.33 H new ATOM 0 HA LEU A 28 1.546 2.253 -1.592 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.566 1.459 0.256 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.253 0.334 0.543 1.00 0.40 H new ATOM 0 HG LEU A 28 3.823 -0.468 -1.240 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.069 -0.997 -2.913 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.439 -1.155 -1.256 1.00 1.12 H new ATOM 0 HD13 LEU A 28 1.032 0.278 -2.229 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.835 0.701 -3.422 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.797 1.979 -2.746 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.452 1.756 -2.129 1.00 0.73 H new ATOM 446 N VAL A 29 -0.630 1.357 -0.798 1.00 0.32 N ATOM 447 CA VAL A 29 -1.996 1.026 -0.300 1.00 0.32 C ATOM 448 C VAL A 29 -2.500 -0.275 -0.929 1.00 0.34 C ATOM 449 O VAL A 29 -2.476 -0.446 -2.131 1.00 0.47 O ATOM 450 CB VAL A 29 -2.870 2.202 -0.736 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.285 2.018 -0.186 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.279 3.507 -0.195 1.00 0.77 C ATOM 0 H VAL A 29 -0.487 1.228 -1.800 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.012 0.878 0.780 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.905 2.243 -1.825 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.908 2.857 -0.497 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.707 1.090 -0.571 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.250 1.976 0.903 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.902 4.345 -0.506 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.243 3.466 0.894 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.271 3.640 -0.587 1.00 0.77 H new ATOM 462 N GLU A 30 -2.962 -1.191 -0.123 1.00 0.32 N ATOM 463 CA GLU A 30 -3.475 -2.479 -0.672 1.00 0.39 C ATOM 464 C GLU A 30 -4.978 -2.590 -0.409 1.00 0.36 C ATOM 465 O GLU A 30 -5.439 -2.419 0.703 1.00 0.42 O ATOM 466 CB GLU A 30 -2.709 -3.565 0.086 1.00 0.52 C ATOM 467 CG GLU A 30 -3.254 -4.942 -0.300 1.00 0.64 C ATOM 468 CD GLU A 30 -2.239 -6.018 0.091 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.094 -5.897 -0.310 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.626 -6.943 0.786 1.00 1.48 O ATOM 0 H GLU A 30 -3.007 -1.104 0.892 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.332 -2.564 -1.749 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.646 -3.505 -0.148 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.808 -3.412 1.161 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.204 -5.123 0.202 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.448 -4.981 -1.372 1.00 0.64 H new ATOM 477 N PHE A 31 -5.747 -2.868 -1.424 1.00 0.35 N ATOM 478 CA PHE A 31 -7.221 -2.981 -1.235 1.00 0.36 C ATOM 479 C PHE A 31 -7.643 -4.452 -1.190 1.00 0.39 C ATOM 480 O PHE A 31 -7.600 -5.149 -2.185 1.00 0.49 O ATOM 481 CB PHE A 31 -7.823 -2.293 -2.458 1.00 0.41 C ATOM 482 CG PHE A 31 -7.780 -0.795 -2.269 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.767 -0.156 -1.511 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.752 -0.048 -2.855 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.726 1.233 -1.338 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.711 1.341 -2.682 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.698 1.981 -1.924 1.00 0.53 C ATOM 0 H PHE A 31 -5.419 -3.022 -2.377 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.553 -2.529 -0.300 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.269 -2.573 -3.354 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -8.852 -2.622 -2.603 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.560 -0.734 -1.060 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -5.991 -0.542 -3.440 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.487 1.727 -0.753 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.918 1.918 -3.134 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.667 3.052 -1.791 1.00 0.53 H new ATOM 497 N TYR A 32 -8.056 -4.929 -0.048 1.00 0.37 N ATOM 498 CA TYR A 32 -8.485 -6.354 0.047 1.00 0.44 C ATOM 499 C TYR A 32 -9.731 -6.477 0.933 1.00 0.40 C ATOM 500 O TYR A 32 -10.177 -5.517 1.530 1.00 0.45 O ATOM 501 CB TYR A 32 -7.290 -7.096 0.663 1.00 0.54 C ATOM 502 CG TYR A 32 -7.110 -6.692 2.108 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.327 -5.580 2.434 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.730 -7.432 3.123 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.163 -5.207 3.774 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.567 -7.061 4.462 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.783 -5.948 4.788 1.00 0.77 C ATOM 508 OH TYR A 32 -6.621 -5.582 6.109 1.00 0.94 O ATOM 0 H TYR A 32 -8.115 -4.397 0.820 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.754 -6.770 -0.924 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.448 -8.172 0.596 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.384 -6.871 0.100 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -5.849 -5.009 1.652 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.335 -8.291 2.871 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.558 -4.348 4.025 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.046 -7.633 5.243 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.119 -6.201 6.683 1.00 0.94 H new ATOM 518 N ALA A 33 -10.294 -7.651 1.022 1.00 0.40 N ATOM 519 CA ALA A 33 -11.507 -7.832 1.870 1.00 0.44 C ATOM 520 C ALA A 33 -11.272 -8.950 2.894 1.00 0.53 C ATOM 521 O ALA A 33 -10.385 -9.763 2.727 1.00 0.56 O ATOM 522 CB ALA A 33 -12.617 -8.223 0.893 1.00 0.49 C ATOM 0 H ALA A 33 -9.967 -8.491 0.545 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.758 -6.933 2.433 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.547 -8.375 1.441 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.753 -7.428 0.160 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.343 -9.145 0.381 1.00 0.49 H new ATOM 528 N PRO A 34 -12.080 -8.960 3.926 1.00 0.63 N ATOM 529 CA PRO A 34 -11.950 -9.999 4.979 1.00 0.78 C ATOM 530 C PRO A 34 -12.369 -11.370 4.436 1.00 0.82 C ATOM 531 O PRO A 34 -12.101 -12.392 5.036 1.00 0.96 O ATOM 532 CB PRO A 34 -12.904 -9.527 6.072 1.00 0.90 C ATOM 533 CG PRO A 34 -13.905 -8.671 5.361 1.00 0.81 C ATOM 534 CD PRO A 34 -13.182 -8.027 4.209 1.00 0.66 C ATOM 0 HA PRO A 34 -10.928 -10.118 5.339 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.385 -10.370 6.568 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.376 -8.963 6.841 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.743 -9.270 5.006 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.314 -7.916 6.032 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.835 -7.904 3.345 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.811 -7.036 4.472 1.00 0.66 H new ATOM 542 N TRP A 35 -13.021 -11.403 3.304 1.00 0.74 N ATOM 543 CA TRP A 35 -13.449 -12.710 2.728 1.00 0.83 C ATOM 544 C TRP A 35 -12.608 -13.058 1.490 1.00 0.78 C ATOM 545 O TRP A 35 -12.719 -14.136 0.941 1.00 0.92 O ATOM 546 CB TRP A 35 -14.920 -12.517 2.347 1.00 0.91 C ATOM 547 CG TRP A 35 -15.040 -11.447 1.307 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.243 -10.133 1.561 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.976 -11.578 -0.143 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.303 -9.450 0.360 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.145 -10.296 -0.718 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.789 -12.673 -1.005 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.129 -10.108 -2.100 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.774 -12.487 -2.397 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.943 -11.206 -2.944 1.00 2.26 C ATOM 0 H TRP A 35 -13.275 -10.582 2.754 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.316 -13.530 3.434 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.333 -13.452 1.969 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.501 -12.246 3.229 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.342 -9.690 2.541 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.447 -8.443 0.281 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.656 -13.663 -0.594 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.260 -9.120 -2.515 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.632 -13.335 -3.050 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.929 -11.069 -4.015 1.00 2.26 H new ATOM 566 N CYS A 36 -11.767 -12.160 1.047 1.00 0.65 N ATOM 567 CA CYS A 36 -10.927 -12.451 -0.150 1.00 0.67 C ATOM 568 C CYS A 36 -10.108 -13.729 0.077 1.00 0.84 C ATOM 569 O CYS A 36 -9.059 -13.703 0.689 1.00 1.63 O ATOM 570 CB CYS A 36 -10.007 -11.233 -0.283 1.00 0.58 C ATOM 571 SG CYS A 36 -9.005 -11.384 -1.783 1.00 1.07 S ATOM 0 H CYS A 36 -11.626 -11.239 1.463 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.521 -12.615 -1.049 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.601 -10.320 -0.321 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.361 -11.157 0.591 1.00 0.58 H new ATOM 576 N GLY A 37 -10.582 -14.846 -0.410 1.00 0.96 N ATOM 577 CA GLY A 37 -9.833 -16.123 -0.220 1.00 1.08 C ATOM 578 C GLY A 37 -8.569 -16.104 -1.081 1.00 1.00 C ATOM 579 O GLY A 37 -8.410 -16.894 -1.991 1.00 1.83 O ATOM 0 H GLY A 37 -11.455 -14.929 -0.931 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.569 -16.250 0.830 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.461 -16.970 -0.495 1.00 1.08 H new ATOM 583 N HIS A 38 -7.668 -15.200 -0.798 1.00 0.89 N ATOM 584 CA HIS A 38 -6.395 -15.101 -1.589 1.00 0.97 C ATOM 585 C HIS A 38 -5.607 -13.861 -1.159 1.00 0.88 C ATOM 586 O HIS A 38 -4.395 -13.828 -1.232 1.00 1.13 O ATOM 587 CB HIS A 38 -6.811 -14.966 -3.061 1.00 1.32 C ATOM 588 CG HIS A 38 -6.132 -16.032 -3.877 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.029 -17.344 -3.442 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.516 -15.994 -5.102 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.373 -18.036 -4.392 1.00 2.85 C ATOM 592 NE2 HIS A 38 -5.037 -17.261 -5.426 1.00 2.87 N ATOM 0 H HIS A 38 -7.756 -14.517 -0.046 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.762 -15.974 -1.431 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.893 -15.057 -3.153 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.541 -13.979 -3.437 1.00 1.32 H new ATOM 0 HD1 HIS A 38 -6.385 -17.717 -2.562 1.00 2.39 H new ATOM 0 HD2 HIS A 38 -5.417 -15.115 -5.721 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -5.146 -19.090 -4.326 1.00 2.85 H new ATOM 600 N CYS A 39 -6.286 -12.847 -0.702 1.00 0.79 N ATOM 601 CA CYS A 39 -5.586 -11.618 -0.256 1.00 0.88 C ATOM 602 C CYS A 39 -4.785 -11.928 1.006 1.00 0.82 C ATOM 603 O CYS A 39 -3.842 -11.241 1.344 1.00 1.00 O ATOM 604 CB CYS A 39 -6.702 -10.615 0.044 1.00 1.08 C ATOM 605 SG CYS A 39 -7.483 -10.086 -1.504 1.00 1.00 S ATOM 0 H CYS A 39 -7.302 -12.820 -0.619 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.889 -11.231 -0.999 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.445 -11.069 0.700 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.296 -9.752 0.571 1.00 1.08 H new ATOM 610 N LYS A 40 -5.157 -12.968 1.706 1.00 0.78 N ATOM 611 CA LYS A 40 -4.420 -13.329 2.941 1.00 0.94 C ATOM 612 C LYS A 40 -2.988 -13.734 2.591 1.00 0.84 C ATOM 613 O LYS A 40 -2.070 -13.545 3.363 1.00 0.94 O ATOM 614 CB LYS A 40 -5.187 -14.513 3.530 1.00 1.21 C ATOM 615 CG LYS A 40 -6.604 -14.071 3.898 1.00 1.56 C ATOM 616 CD LYS A 40 -7.475 -15.305 4.146 1.00 2.11 C ATOM 617 CE LYS A 40 -7.078 -15.950 5.476 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.056 -17.055 5.674 1.00 3.29 N ATOM 0 H LYS A 40 -5.939 -13.579 1.472 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.355 -12.500 3.646 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.225 -15.330 2.809 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.672 -14.891 4.413 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.581 -13.444 4.789 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -7.029 -13.468 3.095 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -8.528 -15.022 4.166 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.352 -16.020 3.332 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.056 -16.328 5.442 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.124 -15.230 6.293 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.849 -17.546 6.567 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -9.019 -16.664 5.709 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.984 -17.728 4.884 1.00 3.29 H new ATOM 632 N ALA A 41 -2.791 -14.292 1.427 1.00 0.77 N ATOM 633 CA ALA A 41 -1.417 -14.709 1.024 1.00 0.86 C ATOM 634 C ALA A 41 -0.515 -13.481 0.868 1.00 0.75 C ATOM 635 O ALA A 41 0.694 -13.577 0.921 1.00 0.90 O ATOM 636 CB ALA A 41 -1.596 -15.415 -0.320 1.00 0.93 C ATOM 0 H ALA A 41 -3.521 -14.477 0.739 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.948 -15.355 1.766 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.626 -15.753 -0.685 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.256 -16.273 -0.195 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.033 -14.723 -1.039 1.00 0.93 H new ATOM 642 N LEU A 42 -1.095 -12.327 0.678 1.00 0.65 N ATOM 643 CA LEU A 42 -0.269 -11.095 0.522 1.00 0.67 C ATOM 644 C LEU A 42 -0.616 -10.077 1.612 1.00 0.63 C ATOM 645 O LEU A 42 -0.324 -8.903 1.493 1.00 0.70 O ATOM 646 CB LEU A 42 -0.634 -10.548 -0.860 1.00 0.82 C ATOM 647 CG LEU A 42 0.542 -9.744 -1.419 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.499 -10.685 -2.153 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.019 -8.686 -2.393 1.00 1.37 C ATOM 0 H LEU A 42 -2.103 -12.184 0.624 1.00 0.65 H new ATOM 0 HA LEU A 42 0.798 -11.300 0.613 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.880 -11.369 -1.534 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.520 -9.916 -0.790 1.00 0.82 H new ATOM 0 HG LEU A 42 1.070 -9.255 -0.601 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.337 -10.113 -2.552 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.871 -11.439 -1.459 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.971 -11.174 -2.972 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.856 -8.113 -2.792 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.509 -9.175 -3.212 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.663 -8.016 -1.870 1.00 1.37 H new ATOM 661 N ALA A 43 -1.238 -10.514 2.675 1.00 0.71 N ATOM 662 CA ALA A 43 -1.601 -9.563 3.768 1.00 0.73 C ATOM 663 C ALA A 43 -0.463 -9.461 4.795 1.00 0.67 C ATOM 664 O ALA A 43 -0.067 -8.372 5.159 1.00 0.65 O ATOM 665 CB ALA A 43 -2.859 -10.149 4.410 1.00 0.88 C ATOM 0 H ALA A 43 -1.510 -11.484 2.834 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.771 -8.555 3.391 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -3.187 -9.503 5.224 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.649 -10.220 3.663 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -2.639 -11.142 4.801 1.00 0.88 H new ATOM 671 N PRO A 44 0.035 -10.595 5.231 1.00 0.69 N ATOM 672 CA PRO A 44 1.133 -10.608 6.212 1.00 0.70 C ATOM 673 C PRO A 44 2.484 -10.582 5.496 1.00 0.59 C ATOM 674 O PRO A 44 3.527 -10.610 6.119 1.00 0.65 O ATOM 675 CB PRO A 44 0.931 -11.929 6.942 1.00 0.83 C ATOM 676 CG PRO A 44 0.189 -12.816 5.980 1.00 0.84 C ATOM 677 CD PRO A 44 -0.354 -11.955 4.861 1.00 0.76 C ATOM 0 HA PRO A 44 1.128 -9.748 6.881 1.00 0.70 H new ATOM 0 HB2 PRO A 44 1.887 -12.371 7.224 1.00 0.83 H new ATOM 0 HB3 PRO A 44 0.362 -11.786 7.861 1.00 0.83 H new ATOM 0 HG2 PRO A 44 0.853 -13.583 5.581 1.00 0.84 H new ATOM 0 HG3 PRO A 44 -0.624 -13.333 6.490 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.068 -12.241 3.898 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -1.436 -12.050 4.775 1.00 0.76 H new ATOM 685 N GLU A 45 2.476 -10.498 4.194 1.00 0.53 N ATOM 686 CA GLU A 45 3.752 -10.433 3.448 1.00 0.46 C ATOM 687 C GLU A 45 3.965 -8.979 3.073 1.00 0.41 C ATOM 688 O GLU A 45 4.960 -8.371 3.400 1.00 0.47 O ATOM 689 CB GLU A 45 3.538 -11.298 2.205 1.00 0.48 C ATOM 690 CG GLU A 45 3.423 -12.767 2.618 1.00 0.61 C ATOM 691 CD GLU A 45 4.781 -13.452 2.449 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.745 -12.959 3.012 1.00 1.90 O ATOM 693 OE2 GLU A 45 4.833 -14.458 1.762 1.00 1.83 O ATOM 0 H GLU A 45 1.635 -10.472 3.618 1.00 0.53 H new ATOM 0 HA GLU A 45 4.619 -10.784 4.007 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.634 -10.985 1.682 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.369 -11.168 1.511 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.093 -12.840 3.654 1.00 0.61 H new ATOM 0 HG3 GLU A 45 2.672 -13.269 2.009 1.00 0.61 H new ATOM 700 N TYR A 46 2.997 -8.408 2.425 1.00 0.43 N ATOM 701 CA TYR A 46 3.092 -6.977 2.055 1.00 0.48 C ATOM 702 C TYR A 46 3.341 -6.146 3.325 1.00 0.52 C ATOM 703 O TYR A 46 3.852 -5.046 3.267 1.00 0.69 O ATOM 704 CB TYR A 46 1.729 -6.665 1.414 1.00 0.64 C ATOM 705 CG TYR A 46 1.478 -5.178 1.398 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.997 -4.534 2.541 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.725 -4.451 0.231 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.762 -3.154 2.517 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.491 -3.071 0.207 1.00 1.38 C ATOM 710 CZ TYR A 46 1.016 -2.422 1.386 1.00 1.50 C ATOM 711 OH TYR A 46 0.776 -1.063 1.330 1.00 1.95 O ATOM 0 H TYR A 46 2.138 -8.875 2.134 1.00 0.43 H new ATOM 0 HA TYR A 46 3.909 -6.746 1.372 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.702 -7.055 0.396 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.937 -7.167 1.969 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.807 -5.100 3.441 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.096 -4.952 -0.651 1.00 1.02 H new ATOM 0 HE1 TYR A 46 0.377 -2.662 3.398 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.668 -2.503 -0.695 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.177 -0.893 1.483 1.00 1.95 H new ATOM 721 N ALA A 47 2.991 -6.672 4.473 1.00 0.53 N ATOM 722 CA ALA A 47 3.221 -5.913 5.734 1.00 0.62 C ATOM 723 C ALA A 47 4.676 -6.074 6.193 1.00 0.58 C ATOM 724 O ALA A 47 5.160 -5.329 7.022 1.00 0.68 O ATOM 725 CB ALA A 47 2.263 -6.532 6.750 1.00 0.73 C ATOM 0 H ALA A 47 2.559 -7.589 4.588 1.00 0.53 H new ATOM 0 HA ALA A 47 3.046 -4.844 5.610 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.372 -6.025 7.709 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.238 -6.423 6.397 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.494 -7.590 6.870 1.00 0.73 H new ATOM 731 N LYS A 48 5.376 -7.043 5.665 1.00 0.51 N ATOM 732 CA LYS A 48 6.795 -7.251 6.074 1.00 0.55 C ATOM 733 C LYS A 48 7.722 -6.331 5.273 1.00 0.53 C ATOM 734 O LYS A 48 8.803 -5.989 5.713 1.00 0.65 O ATOM 735 CB LYS A 48 7.087 -8.716 5.752 1.00 0.60 C ATOM 736 CG LYS A 48 6.944 -9.559 7.023 1.00 1.03 C ATOM 737 CD LYS A 48 6.434 -10.954 6.655 1.00 1.41 C ATOM 738 CE LYS A 48 7.607 -11.936 6.622 1.00 1.92 C ATOM 739 NZ LYS A 48 7.166 -13.092 7.451 1.00 2.47 N ATOM 0 H LYS A 48 5.026 -7.700 4.968 1.00 0.51 H new ATOM 0 HA LYS A 48 6.957 -7.022 7.127 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.399 -9.075 4.986 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.094 -8.816 5.348 1.00 0.60 H new ATOM 0 HG2 LYS A 48 7.905 -9.634 7.532 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.253 -9.078 7.715 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.691 -11.284 7.381 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.941 -10.928 5.683 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.834 -12.246 5.602 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.512 -11.483 7.026 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.919 -13.809 7.476 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.964 -12.768 8.418 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 6.306 -13.507 7.038 1.00 2.47 H new ATOM 753 N ALA A 49 7.312 -5.928 4.100 1.00 0.47 N ATOM 754 CA ALA A 49 8.175 -5.032 3.273 1.00 0.50 C ATOM 755 C ALA A 49 8.603 -3.815 4.095 1.00 0.53 C ATOM 756 O ALA A 49 9.699 -3.309 3.953 1.00 0.65 O ATOM 757 CB ALA A 49 7.293 -4.608 2.098 1.00 0.55 C ATOM 0 H ALA A 49 6.418 -6.180 3.678 1.00 0.47 H new ATOM 0 HA ALA A 49 9.087 -5.525 2.937 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.856 -3.945 1.441 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.980 -5.491 1.541 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.413 -4.085 2.473 1.00 0.55 H new ATOM 763 N ALA A 50 7.746 -3.347 4.958 1.00 0.54 N ATOM 764 CA ALA A 50 8.101 -2.168 5.799 1.00 0.65 C ATOM 765 C ALA A 50 9.230 -2.538 6.762 1.00 0.65 C ATOM 766 O ALA A 50 10.073 -1.727 7.090 1.00 0.77 O ATOM 767 CB ALA A 50 6.825 -1.833 6.572 1.00 0.76 C ATOM 0 H ALA A 50 6.814 -3.729 5.118 1.00 0.54 H new ATOM 0 HA ALA A 50 8.449 -1.322 5.205 1.00 0.65 H new ATOM 0 HB1 ALA A 50 7.005 -0.973 7.216 1.00 0.76 H new ATOM 0 HB2 ALA A 50 6.025 -1.599 5.870 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.534 -2.688 7.182 1.00 0.76 H new ATOM 773 N GLY A 51 9.255 -3.762 7.213 1.00 0.59 N ATOM 774 CA GLY A 51 10.330 -4.188 8.153 1.00 0.69 C ATOM 775 C GLY A 51 11.641 -4.358 7.384 1.00 0.78 C ATOM 776 O GLY A 51 12.712 -4.118 7.906 1.00 0.90 O ATOM 0 H GLY A 51 8.578 -4.485 6.971 1.00 0.59 H new ATOM 0 HA2 GLY A 51 10.452 -3.447 8.942 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.055 -5.126 8.636 1.00 0.69 H new ATOM 780 N LYS A 52 11.569 -4.766 6.147 1.00 0.80 N ATOM 781 CA LYS A 52 12.818 -4.946 5.350 1.00 1.01 C ATOM 782 C LYS A 52 13.569 -3.615 5.224 1.00 1.12 C ATOM 783 O LYS A 52 14.736 -3.581 4.886 1.00 1.31 O ATOM 784 CB LYS A 52 12.347 -5.432 3.979 1.00 1.15 C ATOM 785 CG LYS A 52 12.079 -6.937 4.038 1.00 1.49 C ATOM 786 CD LYS A 52 13.310 -7.694 3.533 1.00 1.97 C ATOM 787 CE LYS A 52 13.502 -8.966 4.362 1.00 2.64 C ATOM 788 NZ LYS A 52 14.920 -9.362 4.137 1.00 3.08 N ATOM 0 H LYS A 52 10.703 -4.982 5.654 1.00 0.80 H new ATOM 0 HA LYS A 52 13.506 -5.650 5.817 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.442 -4.902 3.684 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.103 -5.215 3.225 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.849 -7.236 5.060 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.210 -7.187 3.429 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.187 -7.948 2.480 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.195 -7.062 3.607 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.306 -8.782 5.418 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.817 -9.752 4.043 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.128 -10.228 4.674 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.075 -9.537 3.124 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.549 -8.598 4.456 1.00 3.08 H new ATOM 802 N LEU A 53 12.914 -2.518 5.499 1.00 1.12 N ATOM 803 CA LEU A 53 13.600 -1.196 5.400 1.00 1.33 C ATOM 804 C LEU A 53 13.458 -0.411 6.709 1.00 1.30 C ATOM 805 O LEU A 53 13.860 0.732 6.798 1.00 1.50 O ATOM 806 CB LEU A 53 12.902 -0.458 4.253 1.00 1.55 C ATOM 807 CG LEU A 53 11.430 -0.214 4.603 1.00 1.47 C ATOM 808 CD1 LEU A 53 11.259 1.194 5.171 1.00 2.07 C ATOM 809 CD2 LEU A 53 10.584 -0.349 3.338 1.00 1.82 C ATOM 0 H LEU A 53 11.936 -2.480 5.787 1.00 1.12 H new ATOM 0 HA LEU A 53 14.669 -1.311 5.218 1.00 1.33 H new ATOM 0 HB2 LEU A 53 13.401 0.492 4.064 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.974 -1.043 3.336 1.00 1.55 H new ATOM 0 HG LEU A 53 11.110 -0.945 5.346 1.00 1.47 H new ATOM 0 HD11 LEU A 53 10.211 1.362 5.418 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.865 1.299 6.071 1.00 2.07 H new ATOM 0 HD13 LEU A 53 11.579 1.927 4.430 1.00 2.07 H new ATOM 0 HD21 LEU A 53 9.536 -0.176 3.581 1.00 1.82 H new ATOM 0 HD22 LEU A 53 10.911 0.385 2.601 1.00 1.82 H new ATOM 0 HD23 LEU A 53 10.701 -1.352 2.928 1.00 1.82 H new ATOM 821 N LYS A 54 12.896 -1.007 7.730 1.00 1.20 N ATOM 822 CA LYS A 54 12.743 -0.281 9.026 1.00 1.35 C ATOM 823 C LYS A 54 14.080 0.331 9.447 1.00 1.40 C ATOM 824 O LYS A 54 14.160 1.484 9.824 1.00 1.67 O ATOM 825 CB LYS A 54 12.305 -1.347 10.031 1.00 1.46 C ATOM 826 CG LYS A 54 11.065 -0.864 10.782 1.00 1.91 C ATOM 827 CD LYS A 54 11.281 -1.032 12.288 1.00 2.50 C ATOM 828 CE LYS A 54 11.494 -2.513 12.610 1.00 2.87 C ATOM 829 NZ LYS A 54 10.149 -3.016 13.002 1.00 3.88 N ATOM 0 H LYS A 54 12.538 -1.962 7.722 1.00 1.20 H new ATOM 0 HA LYS A 54 12.024 0.535 8.959 1.00 1.35 H new ATOM 0 HB2 LYS A 54 12.088 -2.282 9.514 1.00 1.46 H new ATOM 0 HB3 LYS A 54 13.112 -1.552 10.735 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.869 0.182 10.547 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.190 -1.432 10.464 1.00 1.91 H new ATOM 0 HD2 LYS A 54 12.145 -0.451 12.609 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.419 -0.650 12.835 1.00 2.50 H new ATOM 0 HE2 LYS A 54 11.882 -3.053 11.747 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.215 -2.642 13.417 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.169 -4.054 13.057 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 9.889 -2.625 13.930 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.448 -2.721 12.293 1.00 3.88 H new ATOM 843 N ALA A 55 15.132 -0.436 9.379 1.00 1.63 N ATOM 844 CA ALA A 55 16.470 0.094 9.769 1.00 2.20 C ATOM 845 C ALA A 55 17.214 0.617 8.535 1.00 2.03 C ATOM 846 O ALA A 55 18.423 0.738 8.533 1.00 2.38 O ATOM 847 CB ALA A 55 17.207 -1.100 10.373 1.00 2.78 C ATOM 0 H ALA A 55 15.124 -1.408 9.070 1.00 1.63 H new ATOM 0 HA ALA A 55 16.396 0.925 10.470 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.204 -0.791 10.686 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.654 -1.470 11.236 1.00 2.78 H new ATOM 0 HB3 ALA A 55 17.289 -1.891 9.628 1.00 2.78 H new ATOM 853 N GLU A 56 16.500 0.931 7.487 1.00 1.67 N ATOM 854 CA GLU A 56 17.166 1.449 6.255 1.00 1.70 C ATOM 855 C GLU A 56 16.650 2.853 5.929 1.00 1.53 C ATOM 856 O GLU A 56 16.290 3.146 4.806 1.00 1.98 O ATOM 857 CB GLU A 56 16.776 0.469 5.148 1.00 1.99 C ATOM 858 CG GLU A 56 17.187 -0.949 5.550 1.00 2.69 C ATOM 859 CD GLU A 56 17.199 -1.846 4.311 1.00 3.21 C ATOM 860 OE1 GLU A 56 16.505 -1.521 3.361 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.902 -2.843 4.331 1.00 3.63 O ATOM 0 H GLU A 56 15.485 0.851 7.430 1.00 1.67 H new ATOM 0 HA GLU A 56 18.247 1.523 6.372 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.701 0.511 4.973 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.262 0.748 4.213 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.174 -0.936 6.012 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.493 -1.344 6.292 1.00 2.69 H new ATOM 868 N GLY A 57 16.607 3.723 6.901 1.00 1.58 N ATOM 869 CA GLY A 57 16.109 5.104 6.642 1.00 2.25 C ATOM 870 C GLY A 57 14.587 5.129 6.804 1.00 1.97 C ATOM 871 O GLY A 57 14.042 5.944 7.521 1.00 2.50 O ATOM 0 H GLY A 57 16.895 3.538 7.862 1.00 1.58 H new ATOM 0 HA2 GLY A 57 16.572 5.806 7.335 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.385 5.420 5.636 1.00 2.25 H new ATOM 875 N SER A 58 13.896 4.238 6.143 1.00 1.30 N ATOM 876 CA SER A 58 12.411 4.202 6.258 1.00 1.23 C ATOM 877 C SER A 58 11.804 5.558 5.903 1.00 1.03 C ATOM 878 O SER A 58 11.155 6.192 6.710 1.00 1.27 O ATOM 879 CB SER A 58 12.125 3.843 7.716 1.00 1.53 C ATOM 880 OG SER A 58 10.720 3.765 7.916 1.00 2.13 O ATOM 0 H SER A 58 14.299 3.532 5.527 1.00 1.30 H new ATOM 0 HA SER A 58 11.971 3.480 5.571 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.592 2.891 7.966 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.557 4.593 8.378 1.00 1.53 H new ATOM 0 HG SER A 58 10.304 4.612 7.652 1.00 2.13 H new ATOM 886 N GLU A 59 11.990 5.989 4.691 1.00 0.85 N ATOM 887 CA GLU A 59 11.405 7.286 4.262 1.00 0.87 C ATOM 888 C GLU A 59 10.085 7.033 3.521 1.00 0.76 C ATOM 889 O GLU A 59 9.579 7.885 2.817 1.00 1.06 O ATOM 890 CB GLU A 59 12.453 7.888 3.324 1.00 1.10 C ATOM 891 CG GLU A 59 12.585 7.022 2.066 1.00 1.05 C ATOM 892 CD GLU A 59 11.193 6.666 1.540 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.342 7.540 1.534 1.00 2.13 O ATOM 894 OE2 GLU A 59 11.002 5.526 1.150 1.00 2.22 O ATOM 0 H GLU A 59 12.524 5.497 3.975 1.00 0.85 H new ATOM 0 HA GLU A 59 11.179 7.951 5.096 1.00 0.87 H new ATOM 0 HB2 GLU A 59 12.167 8.903 3.049 1.00 1.10 H new ATOM 0 HB3 GLU A 59 13.414 7.954 3.833 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.148 7.557 1.301 1.00 1.05 H new ATOM 0 HG3 GLU A 59 13.142 6.113 2.294 1.00 1.05 H new ATOM 901 N ILE A 60 9.533 5.855 3.667 1.00 0.59 N ATOM 902 CA ILE A 60 8.258 5.522 2.972 1.00 0.57 C ATOM 903 C ILE A 60 7.266 4.922 3.964 1.00 0.52 C ATOM 904 O ILE A 60 7.539 4.812 5.143 1.00 0.63 O ATOM 905 CB ILE A 60 8.653 4.487 1.918 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.241 3.251 2.620 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.695 5.095 0.974 1.00 1.34 C ATOM 908 CD1 ILE A 60 9.800 2.275 1.588 1.00 1.60 C ATOM 0 H ILE A 60 9.916 5.106 4.243 1.00 0.59 H new ATOM 0 HA ILE A 60 7.779 6.396 2.531 1.00 0.57 H new ATOM 0 HB ILE A 60 7.776 4.192 1.341 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.030 3.555 3.308 1.00 1.46 H new ATOM 0 HG13 ILE A 60 8.471 2.761 3.215 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.978 4.359 0.222 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.273 5.972 0.483 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.576 5.388 1.545 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.213 1.404 2.097 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.002 1.958 0.917 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.585 2.765 1.012 1.00 1.60 H new ATOM 920 N ARG A 61 6.118 4.533 3.496 1.00 0.45 N ATOM 921 CA ARG A 61 5.111 3.940 4.420 1.00 0.45 C ATOM 922 C ARG A 61 4.093 3.093 3.653 1.00 0.41 C ATOM 923 O ARG A 61 3.344 3.591 2.836 1.00 0.55 O ATOM 924 CB ARG A 61 4.423 5.138 5.072 1.00 0.51 C ATOM 925 CG ARG A 61 3.928 4.743 6.462 1.00 0.75 C ATOM 926 CD ARG A 61 4.408 5.773 7.487 1.00 0.97 C ATOM 927 NE ARG A 61 3.700 5.418 8.747 1.00 1.30 N ATOM 928 CZ ARG A 61 4.254 5.669 9.901 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.567 6.895 10.222 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.494 4.695 10.736 1.00 2.19 N ATOM 0 H ARG A 61 5.831 4.598 2.519 1.00 0.45 H new ATOM 0 HA ARG A 61 5.574 3.278 5.152 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.118 5.975 5.145 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.587 5.471 4.457 1.00 0.51 H new ATOM 0 HG2 ARG A 61 2.839 4.687 6.470 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.300 3.753 6.724 1.00 0.75 H new ATOM 0 HD2 ARG A 61 5.489 5.728 7.615 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.166 6.788 7.170 1.00 0.97 H new ATOM 0 HE ARG A 61 2.781 4.978 8.708 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.378 7.657 9.570 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.000 7.091 11.124 1.00 2.21 H new ATOM 0 HH21 ARG A 61 4.248 3.737 10.486 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.927 4.892 11.638 1.00 2.19 H new ATOM 944 N LEU A 62 4.050 1.817 3.924 1.00 0.35 N ATOM 945 CA LEU A 62 3.071 0.940 3.224 1.00 0.36 C ATOM 946 C LEU A 62 1.709 1.052 3.911 1.00 0.32 C ATOM 947 O LEU A 62 1.607 1.547 5.019 1.00 0.38 O ATOM 948 CB LEU A 62 3.631 -0.477 3.362 1.00 0.48 C ATOM 949 CG LEU A 62 5.016 -0.545 2.716 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.945 -1.390 3.591 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.903 -1.182 1.329 1.00 1.59 C ATOM 0 H LEU A 62 4.651 1.345 4.600 1.00 0.35 H new ATOM 0 HA LEU A 62 2.933 1.214 2.178 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.695 -0.753 4.415 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.961 -1.192 2.885 1.00 0.48 H new ATOM 0 HG LEU A 62 5.422 0.462 2.620 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.932 -1.439 3.132 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.027 -0.937 4.579 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.539 -2.397 3.686 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.890 -1.230 0.869 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.497 -2.189 1.423 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.241 -0.581 0.705 1.00 1.59 H new ATOM 963 N ALA A 63 0.658 0.602 3.279 1.00 0.30 N ATOM 964 CA ALA A 63 -0.679 0.708 3.935 1.00 0.32 C ATOM 965 C ALA A 63 -1.639 -0.371 3.429 1.00 0.31 C ATOM 966 O ALA A 63 -1.350 -1.098 2.500 1.00 0.37 O ATOM 967 CB ALA A 63 -1.197 2.099 3.569 1.00 0.37 C ATOM 0 H ALA A 63 0.664 0.173 2.354 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.604 0.565 5.013 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.179 2.251 4.017 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.506 2.855 3.944 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.275 2.185 2.485 1.00 0.37 H new ATOM 973 N LYS A 64 -2.784 -0.476 4.046 1.00 0.30 N ATOM 974 CA LYS A 64 -3.777 -1.500 3.622 1.00 0.32 C ATOM 975 C LYS A 64 -5.191 -0.922 3.710 1.00 0.32 C ATOM 976 O LYS A 64 -5.438 0.021 4.435 1.00 0.40 O ATOM 977 CB LYS A 64 -3.600 -2.646 4.618 1.00 0.38 C ATOM 978 CG LYS A 64 -2.868 -3.807 3.940 1.00 1.39 C ATOM 979 CD LYS A 64 -1.809 -4.368 4.892 1.00 1.60 C ATOM 980 CE LYS A 64 -2.487 -4.898 6.156 1.00 2.04 C ATOM 981 NZ LYS A 64 -1.737 -4.273 7.282 1.00 2.26 N ATOM 0 H LYS A 64 -3.075 0.108 4.830 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.631 -1.827 2.593 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.035 -2.304 5.485 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.572 -2.979 4.982 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.577 -4.588 3.667 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.399 -3.466 3.017 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -1.252 -5.167 4.403 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -1.090 -3.591 5.151 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.542 -4.624 6.183 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.439 -5.986 6.204 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.143 -4.588 8.186 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -0.738 -4.557 7.233 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -1.807 -3.238 7.213 1.00 2.26 H new ATOM 995 N VAL A 65 -6.119 -1.471 2.978 1.00 0.30 N ATOM 996 CA VAL A 65 -7.511 -0.939 3.030 1.00 0.32 C ATOM 997 C VAL A 65 -8.530 -2.078 3.005 1.00 0.31 C ATOM 998 O VAL A 65 -8.285 -3.137 2.462 1.00 0.36 O ATOM 999 CB VAL A 65 -7.658 -0.079 1.776 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.085 0.473 1.701 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.663 1.080 1.832 1.00 0.70 C ATOM 0 H VAL A 65 -5.976 -2.261 2.349 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.690 -0.374 3.945 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.457 -0.686 0.893 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.191 1.087 0.807 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.793 -0.354 1.659 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.287 1.080 2.584 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -6.768 1.693 0.937 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -6.862 1.688 2.714 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.648 0.686 1.885 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.680 -1.854 3.578 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.731 -2.909 3.581 1.00 0.39 C ATOM 1013 C ASP A 66 -11.762 -2.604 2.490 1.00 0.40 C ATOM 1014 O ASP A 66 -12.693 -1.852 2.694 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.374 -2.827 4.966 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.776 -3.908 5.870 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.611 -3.790 6.211 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -11.495 -4.834 6.207 1.00 1.38 O ATOM 0 H ASP A 66 -9.937 -0.984 4.045 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.330 -3.903 3.383 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.205 -1.841 5.399 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.453 -2.960 4.886 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.594 -3.174 1.327 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.554 -2.914 0.212 1.00 0.46 C ATOM 1025 C ALA A 67 -14.003 -3.059 0.696 1.00 0.51 C ATOM 1026 O ALA A 67 -14.911 -2.472 0.144 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.232 -3.977 -0.840 1.00 0.51 C ATOM 0 H ALA A 67 -10.831 -3.811 1.099 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.458 -1.902 -0.181 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -12.896 -3.855 -1.696 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.197 -3.866 -1.165 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.373 -4.969 -0.410 1.00 0.51 H new ATOM 1033 N THR A 68 -14.223 -3.835 1.720 1.00 0.53 N ATOM 1034 CA THR A 68 -15.612 -4.014 2.234 1.00 0.62 C ATOM 1035 C THR A 68 -15.939 -2.956 3.297 1.00 0.64 C ATOM 1036 O THR A 68 -17.072 -2.819 3.716 1.00 0.86 O ATOM 1037 CB THR A 68 -15.629 -5.414 2.849 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.460 -5.597 3.635 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.667 -6.462 1.735 1.00 1.35 C ATOM 0 H THR A 68 -13.503 -4.353 2.224 1.00 0.53 H new ATOM 0 HA THR A 68 -16.356 -3.902 1.445 1.00 0.62 H new ATOM 0 HB THR A 68 -16.512 -5.525 3.479 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.715 -5.779 4.564 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.679 -7.460 2.174 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.564 -6.320 1.132 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.785 -6.354 1.104 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.962 -2.208 3.739 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.231 -1.167 4.774 1.00 0.61 C ATOM 1049 C GLU A 69 -14.956 0.232 4.210 1.00 0.57 C ATOM 1050 O GLU A 69 -15.725 1.151 4.410 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.263 -1.485 5.915 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.816 -0.921 7.226 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.708 -0.901 8.281 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.187 -1.961 8.586 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -13.400 0.175 8.767 1.00 2.10 O ATOM 0 H GLU A 69 -13.992 -2.273 3.429 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.270 -1.174 5.104 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.126 -2.563 6.000 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.284 -1.054 5.706 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.200 0.087 7.067 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.651 -1.529 7.572 1.00 0.83 H new ATOM 1062 N GLU A 70 -13.866 0.404 3.509 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.555 1.748 2.944 1.00 0.57 C ATOM 1064 C GLU A 70 -13.469 1.682 1.417 1.00 0.72 C ATOM 1065 O GLU A 70 -12.498 2.105 0.821 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.199 2.125 3.540 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.328 2.256 5.059 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.377 1.269 5.740 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.404 0.105 5.376 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -10.639 1.694 6.613 1.00 1.97 O ATOM 0 H GLU A 70 -13.182 -0.324 3.305 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.326 2.480 3.184 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.457 1.366 3.291 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.850 3.065 3.112 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.094 3.275 5.368 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.355 2.058 5.366 1.00 1.05 H new ATOM 1077 N SER A 71 -14.479 1.160 0.777 1.00 0.55 N ATOM 1078 CA SER A 71 -14.455 1.075 -0.712 1.00 0.66 C ATOM 1079 C SER A 71 -14.715 2.454 -1.334 1.00 0.70 C ATOM 1080 O SER A 71 -14.603 2.631 -2.532 1.00 0.94 O ATOM 1081 CB SER A 71 -15.582 0.106 -1.068 1.00 0.79 C ATOM 1082 OG SER A 71 -15.151 -0.750 -2.119 1.00 1.48 O ATOM 0 H SER A 71 -15.320 0.789 1.220 1.00 0.55 H new ATOM 0 HA SER A 71 -13.489 0.739 -1.089 1.00 0.66 H new ATOM 0 HB2 SER A 71 -15.860 -0.483 -0.194 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.470 0.659 -1.375 1.00 0.79 H new ATOM 0 HG SER A 71 -14.945 -1.636 -1.755 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.062 3.432 -0.538 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.327 4.790 -1.095 1.00 0.71 C ATOM 1090 C ASP A 72 -14.123 5.282 -1.905 1.00 0.68 C ATOM 1091 O ASP A 72 -14.242 6.154 -2.740 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.552 5.681 0.127 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.008 6.147 0.158 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.373 6.946 -0.690 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.735 5.699 1.029 1.00 1.57 O ATOM 0 H ASP A 72 -15.173 3.348 0.472 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.183 4.797 -1.770 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.315 5.132 1.039 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.884 6.542 0.090 1.00 0.78 H new ATOM 1100 N LEU A 73 -12.965 4.727 -1.668 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.760 5.165 -2.430 1.00 0.68 C ATOM 1102 C LEU A 73 -11.411 4.122 -3.489 1.00 0.60 C ATOM 1103 O LEU A 73 -11.095 4.444 -4.617 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.645 5.274 -1.391 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.084 6.211 -0.264 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.234 5.414 1.032 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.034 7.308 -0.069 1.00 0.97 C ATOM 0 H LEU A 73 -12.801 3.991 -0.981 1.00 0.63 H new ATOM 0 HA LEU A 73 -11.917 6.110 -2.949 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.412 4.288 -0.988 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.735 5.651 -1.858 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.039 6.667 -0.524 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.547 6.081 1.835 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.984 4.635 0.895 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.279 4.957 1.291 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.349 7.974 0.734 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.077 6.854 0.190 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.927 7.878 -0.992 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.474 2.872 -3.133 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.155 1.798 -4.115 1.00 0.56 C ATOM 1121 C ALA A 74 -12.096 1.897 -5.317 1.00 0.59 C ATOM 1122 O ALA A 74 -11.667 2.051 -6.444 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.389 0.491 -3.359 1.00 0.60 C ATOM 0 H ALA A 74 -11.733 2.545 -2.202 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.137 1.870 -4.497 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.175 -0.352 -4.016 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -10.732 0.450 -2.490 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.427 0.441 -3.031 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.377 1.816 -5.084 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.347 1.910 -6.211 1.00 0.76 C ATOM 1131 C GLN A 75 -14.136 3.219 -6.974 1.00 0.78 C ATOM 1132 O GLN A 75 -14.414 3.314 -8.153 1.00 0.86 O ATOM 1133 CB GLN A 75 -15.725 1.891 -5.549 1.00 0.87 C ATOM 1134 CG GLN A 75 -15.995 0.503 -4.968 1.00 1.42 C ATOM 1135 CD GLN A 75 -16.729 -0.351 -6.005 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -16.428 -0.291 -7.181 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -17.684 -1.149 -5.617 1.00 2.40 N ATOM 0 H GLN A 75 -13.794 1.689 -4.162 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.230 1.099 -6.929 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -15.771 2.642 -4.760 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.494 2.147 -6.278 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -15.056 0.026 -4.687 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.594 0.587 -4.061 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -17.937 -1.200 -4.630 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -18.178 -1.723 -6.300 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.642 4.228 -6.310 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.410 5.530 -6.997 1.00 0.84 C ATOM 1148 C GLN A 76 -12.241 5.405 -7.974 1.00 0.83 C ATOM 1149 O GLN A 76 -12.228 6.015 -9.026 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.075 6.514 -5.878 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.715 7.869 -6.182 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.180 8.918 -5.207 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.746 9.128 -4.152 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.106 9.591 -5.516 1.00 1.97 N ATOM 0 H GLN A 76 -13.389 4.207 -5.322 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.275 5.855 -7.576 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.439 6.134 -4.924 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.994 6.623 -5.786 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.495 8.165 -7.208 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.799 7.798 -6.097 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -11.631 9.415 -6.401 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -11.741 10.293 -4.872 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.260 4.617 -7.637 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.092 4.447 -8.548 1.00 0.81 C ATOM 1165 C TYR A 77 -10.454 3.502 -9.694 1.00 0.83 C ATOM 1166 O TYR A 77 -10.120 3.737 -10.838 1.00 1.00 O ATOM 1167 CB TYR A 77 -8.994 3.837 -7.675 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.390 4.909 -6.801 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.957 6.114 -7.369 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.260 4.698 -5.424 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.395 7.108 -6.557 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.699 5.691 -4.613 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.266 6.896 -5.180 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.712 7.875 -4.381 1.00 1.22 O ATOM 0 H TYR A 77 -11.215 4.082 -6.770 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.777 5.388 -8.998 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.407 3.040 -7.057 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.224 3.388 -8.302 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.056 6.277 -8.432 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.593 3.768 -4.987 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -7.061 8.038 -6.994 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.600 5.528 -3.550 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.505 7.500 -3.500 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.135 2.433 -9.392 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.521 1.466 -10.458 1.00 0.87 C ATOM 1186 C GLY A 78 -11.104 0.060 -10.030 1.00 0.88 C ATOM 1187 O GLY A 78 -10.456 -0.659 -10.765 1.00 1.52 O ATOM 0 H GLY A 78 -11.442 2.186 -8.451 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.597 1.504 -10.629 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.039 1.731 -11.399 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.467 -0.333 -8.841 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.087 -1.688 -8.354 1.00 0.79 C ATOM 1193 C VAL A 79 -12.281 -2.643 -8.444 1.00 1.13 C ATOM 1194 O VAL A 79 -13.248 -2.512 -7.720 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.681 -1.475 -6.897 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.260 -2.810 -6.284 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.509 -0.493 -6.834 1.00 0.72 C ATOM 0 H VAL A 79 -12.011 0.227 -8.185 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.286 -2.131 -8.946 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.526 -1.070 -6.340 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.970 -2.658 -5.244 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.094 -3.510 -6.329 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.415 -3.215 -6.840 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.218 -0.340 -5.795 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.664 -0.898 -7.391 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.809 0.460 -7.271 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.222 -3.602 -9.327 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.350 -4.562 -9.462 1.00 1.72 C ATOM 1209 C ARG A 80 -12.902 -5.965 -9.039 1.00 1.38 C ATOM 1210 O ARG A 80 -13.484 -6.957 -9.431 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.705 -4.535 -10.947 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.530 -3.282 -11.250 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.694 -3.647 -12.173 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.916 -3.236 -11.428 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.608 -2.207 -11.830 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -17.109 -1.004 -11.730 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -18.801 -2.378 -12.332 1.00 5.09 N ATOM 0 H ARG A 80 -11.439 -3.761 -9.961 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.200 -4.300 -8.833 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.797 -4.540 -11.549 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.269 -5.429 -11.214 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -14.909 -2.850 -10.323 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.902 -2.526 -11.721 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.619 -3.127 -13.128 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -15.705 -4.715 -12.392 1.00 3.49 H new ATOM 0 HE ARG A 80 -17.211 -3.759 -10.604 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -16.177 -0.869 -11.337 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -17.651 -0.199 -12.045 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -19.192 -3.317 -12.410 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -19.342 -1.573 -12.646 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.871 -6.051 -8.244 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.383 -7.386 -7.797 1.00 0.81 C ATOM 1233 C GLY A 81 -10.234 -7.197 -6.804 1.00 0.74 C ATOM 1234 O GLY A 81 -9.486 -6.242 -6.882 1.00 1.17 O ATOM 0 H GLY A 81 -11.345 -5.254 -7.885 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.194 -7.945 -7.330 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.046 -7.969 -8.654 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.088 -8.098 -5.871 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.984 -7.962 -4.874 1.00 0.52 C ATOM 1240 C TYR A 82 -7.961 -9.096 -5.059 1.00 0.54 C ATOM 1241 O TYR A 82 -8.288 -10.120 -5.624 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.654 -8.080 -3.498 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.852 -7.157 -3.406 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.809 -5.881 -3.984 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.007 -7.582 -2.738 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.920 -5.034 -3.895 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.118 -6.734 -2.649 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.073 -5.460 -3.226 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.169 -4.624 -3.137 1.00 0.85 O ATOM 0 H TYR A 82 -10.682 -8.919 -5.755 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.451 -7.018 -4.987 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.968 -9.110 -3.328 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.936 -7.832 -2.716 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.918 -5.551 -4.498 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.041 -8.565 -2.291 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.887 -4.052 -4.343 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.009 -7.063 -2.135 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.903 -3.710 -3.370 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.747 -8.891 -4.581 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.356 -7.636 -3.892 1.00 0.51 C ATOM 1261 C PRO A 83 -5.872 -6.599 -4.910 1.00 0.51 C ATOM 1262 O PRO A 83 -5.268 -6.935 -5.909 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.209 -8.075 -2.990 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.626 -9.298 -3.641 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.626 -9.830 -4.644 1.00 0.64 C ATOM 0 HA PRO A 83 -7.176 -7.171 -3.345 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.461 -7.287 -2.896 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.565 -8.299 -1.984 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.687 -9.052 -4.136 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.402 -10.056 -2.891 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.199 -9.871 -5.646 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.942 -10.842 -4.390 1.00 0.64 H new ATOM 1273 N THR A 84 -6.123 -5.343 -4.663 1.00 0.45 N ATOM 1274 CA THR A 84 -5.665 -4.293 -5.618 1.00 0.45 C ATOM 1275 C THR A 84 -4.602 -3.415 -4.954 1.00 0.43 C ATOM 1276 O THR A 84 -4.908 -2.552 -4.156 1.00 0.52 O ATOM 1277 CB THR A 84 -6.912 -3.468 -5.949 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.069 -4.290 -5.855 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.792 -2.917 -7.370 1.00 0.56 C ATOM 0 H THR A 84 -6.624 -4.998 -3.844 1.00 0.45 H new ATOM 0 HA THR A 84 -5.219 -4.720 -6.516 1.00 0.45 H new ATOM 0 HB THR A 84 -6.999 -2.643 -5.242 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.109 -4.888 -6.630 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.678 -2.329 -7.608 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.907 -2.284 -7.441 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.705 -3.744 -8.075 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.355 -3.633 -5.270 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.274 -2.813 -4.647 1.00 0.41 C ATOM 1289 C ILE A 85 -1.870 -1.659 -5.569 1.00 0.41 C ATOM 1290 O ILE A 85 -1.668 -1.838 -6.754 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.104 -3.777 -4.459 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.544 -4.950 -3.579 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.058 -3.045 -3.787 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.908 -6.144 -4.464 1.00 1.27 C ATOM 0 H ILE A 85 -3.037 -4.342 -5.931 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.595 -2.365 -3.706 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.784 -4.152 -5.431 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.743 -5.224 -2.892 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.401 -4.660 -2.970 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.893 -3.733 -3.653 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.373 -2.210 -4.413 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.262 -2.669 -2.815 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.221 -6.979 -3.837 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.723 -5.866 -5.133 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.040 -6.438 -5.053 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.740 -0.479 -5.028 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.336 0.689 -5.862 1.00 0.40 C ATOM 1308 C LYS A 86 -0.261 1.498 -5.136 1.00 0.38 C ATOM 1309 O LYS A 86 0.014 1.276 -3.975 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.603 1.527 -6.033 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.703 0.674 -6.667 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.409 1.485 -7.756 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.913 1.516 -7.475 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.475 0.393 -8.277 1.00 1.73 N ATOM 0 H LYS A 86 -1.897 -0.272 -4.041 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.923 0.383 -6.823 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.934 1.905 -5.066 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.395 2.394 -6.660 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.275 -0.233 -7.093 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.420 0.362 -5.908 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.012 2.500 -7.783 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.220 1.043 -8.734 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.119 1.385 -6.413 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.351 2.470 -7.770 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.333 0.714 -8.770 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.771 0.079 -8.975 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.714 -0.399 -7.646 1.00 1.73 H new ATOM 1328 N PHE A 87 0.345 2.435 -5.806 1.00 0.37 N ATOM 1329 CA PHE A 87 1.401 3.256 -5.145 1.00 0.36 C ATOM 1330 C PHE A 87 1.148 4.744 -5.398 1.00 0.33 C ATOM 1331 O PHE A 87 0.991 5.173 -6.523 1.00 0.37 O ATOM 1332 CB PHE A 87 2.715 2.813 -5.790 1.00 0.42 C ATOM 1333 CG PHE A 87 3.863 3.620 -5.223 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.917 3.905 -3.851 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.879 4.080 -6.071 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.983 4.648 -3.331 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.944 4.824 -5.550 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.996 5.107 -4.180 1.00 0.72 C ATOM 0 H PHE A 87 0.157 2.670 -6.781 1.00 0.37 H new ATOM 0 HA PHE A 87 1.416 3.117 -4.064 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.880 1.751 -5.608 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.663 2.947 -6.871 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.135 3.551 -3.195 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.840 3.860 -7.128 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.024 4.867 -2.274 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.726 5.180 -6.205 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.819 5.680 -3.778 1.00 0.72 H new ATOM 1348 N PHE A 88 1.102 5.532 -4.358 1.00 0.33 N ATOM 1349 CA PHE A 88 0.851 6.989 -4.542 1.00 0.35 C ATOM 1350 C PHE A 88 2.070 7.806 -4.111 1.00 0.42 C ATOM 1351 O PHE A 88 2.999 7.292 -3.520 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.339 7.293 -3.638 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.615 6.992 -4.381 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.006 5.666 -4.593 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.411 8.041 -4.853 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -3.194 5.388 -5.277 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.598 7.764 -5.538 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.978 6.431 -5.769 1.00 0.62 C ATOM 0 H PHE A 88 1.227 5.230 -3.392 1.00 0.33 H new ATOM 0 HA PHE A 88 0.658 7.244 -5.584 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.283 6.694 -2.729 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.320 8.339 -3.332 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.391 4.857 -4.229 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -2.109 9.065 -4.688 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.505 4.364 -5.424 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.222 8.573 -5.889 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.877 6.214 -6.327 1.00 0.62 H new ATOM 1368 N ARG A 89 2.069 9.079 -4.400 1.00 0.47 N ATOM 1369 CA ARG A 89 3.223 9.935 -4.005 1.00 0.55 C ATOM 1370 C ARG A 89 2.781 11.396 -3.859 1.00 0.64 C ATOM 1371 O ARG A 89 1.976 11.889 -4.624 1.00 1.05 O ATOM 1372 CB ARG A 89 4.240 9.787 -5.139 1.00 0.73 C ATOM 1373 CG ARG A 89 3.588 10.146 -6.476 1.00 1.15 C ATOM 1374 CD ARG A 89 4.676 10.490 -7.496 1.00 1.42 C ATOM 1375 NE ARG A 89 4.042 10.270 -8.825 1.00 1.73 N ATOM 1376 CZ ARG A 89 4.035 11.228 -9.710 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.161 11.734 -10.132 1.00 2.43 N ATOM 1378 NH2 ARG A 89 2.902 11.679 -10.175 1.00 2.56 N ATOM 0 H ARG A 89 1.318 9.563 -4.893 1.00 0.47 H new ATOM 0 HA ARG A 89 3.643 9.638 -3.044 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.097 10.436 -4.957 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.615 8.764 -5.171 1.00 0.73 H new ATOM 0 HG2 ARG A 89 2.987 9.311 -6.836 1.00 1.15 H new ATOM 0 HG3 ARG A 89 2.913 10.992 -6.348 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.010 11.522 -7.384 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.553 9.855 -7.367 1.00 1.42 H new ATOM 0 HE ARG A 89 3.613 9.371 -9.043 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.047 11.380 -9.770 1.00 2.43 H new ATOM 0 HH12 ARG A 89 5.156 12.483 -10.824 1.00 2.43 H new ATOM 0 HH21 ARG A 89 2.022 11.282 -9.846 1.00 2.56 H new ATOM 0 HH22 ARG A 89 2.897 12.428 -10.867 1.00 2.56 H new ATOM 1392 N ASN A 90 3.323 12.086 -2.884 1.00 0.57 N ATOM 1393 CA ASN A 90 2.985 13.520 -2.652 1.00 0.68 C ATOM 1394 C ASN A 90 1.500 13.833 -2.923 1.00 0.69 C ATOM 1395 O ASN A 90 1.164 14.891 -3.417 1.00 0.98 O ATOM 1396 CB ASN A 90 3.916 14.273 -3.605 1.00 0.87 C ATOM 1397 CG ASN A 90 3.375 14.241 -5.041 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.597 13.291 -5.765 1.00 1.65 O ATOM 1399 ND2 ASN A 90 2.668 15.246 -5.481 1.00 1.74 N ATOM 0 H ASN A 90 4.001 11.703 -2.226 1.00 0.57 H new ATOM 0 HA ASN A 90 3.125 13.811 -1.611 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.022 15.307 -3.275 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.910 13.826 -3.577 1.00 0.87 H new ATOM 0 HD21 ASN A 90 2.302 15.234 -6.433 1.00 1.74 H new ATOM 0 HD22 ASN A 90 2.482 16.043 -4.873 1.00 1.74 H new ATOM 1406 N GLY A 91 0.615 12.929 -2.601 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.835 13.190 -2.839 1.00 0.75 C ATOM 1408 C GLY A 91 -1.061 13.582 -4.299 1.00 0.79 C ATOM 1409 O GLY A 91 -1.930 14.374 -4.611 1.00 1.19 O ATOM 0 H GLY A 91 0.832 12.023 -2.185 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.418 12.301 -2.598 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.183 13.987 -2.182 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.292 13.034 -5.198 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.473 13.375 -6.637 1.00 1.27 C ATOM 1415 C ASP A 92 -1.925 13.119 -7.053 1.00 1.14 C ATOM 1416 O ASP A 92 -2.500 13.870 -7.816 1.00 1.70 O ATOM 1417 CB ASP A 92 0.479 12.444 -7.386 1.00 1.93 C ATOM 1418 CG ASP A 92 0.072 10.989 -7.141 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.352 10.490 -6.063 1.00 2.68 O ATOM 1420 OD2 ASP A 92 -0.511 10.399 -8.034 1.00 2.41 O ATOM 0 H ASP A 92 0.453 12.366 -4.999 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.261 14.423 -6.850 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.455 12.664 -8.453 1.00 1.93 H new ATOM 0 HB3 ASP A 92 1.503 12.607 -7.050 1.00 1.93 H new ATOM 1425 N THR A 93 -2.515 12.062 -6.548 1.00 0.96 N ATOM 1426 CA THR A 93 -3.936 11.731 -6.892 1.00 1.33 C ATOM 1427 C THR A 93 -4.201 11.914 -8.390 1.00 1.26 C ATOM 1428 O THR A 93 -5.306 12.203 -8.805 1.00 1.90 O ATOM 1429 CB THR A 93 -4.787 12.702 -6.068 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.432 14.039 -6.389 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.548 12.451 -4.580 1.00 1.92 C ATOM 0 H THR A 93 -2.069 11.407 -5.906 1.00 0.96 H new ATOM 0 HA THR A 93 -4.170 10.690 -6.667 1.00 1.33 H new ATOM 0 HB THR A 93 -5.841 12.545 -6.298 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.087 14.075 -7.306 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.153 13.142 -3.993 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.826 11.426 -4.335 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.494 12.606 -4.350 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.196 11.747 -9.204 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.394 11.908 -10.671 1.00 1.18 C ATOM 1441 C ALA A 94 -3.064 10.599 -11.389 1.00 1.14 C ATOM 1442 O ALA A 94 -3.941 9.862 -11.794 1.00 1.48 O ATOM 1443 CB ALA A 94 -2.421 13.013 -11.085 1.00 1.24 C ATOM 0 H ALA A 94 -2.247 11.506 -8.917 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.423 12.161 -10.927 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -2.507 13.191 -12.157 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -2.660 13.929 -10.545 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -1.402 12.708 -10.849 1.00 1.24 H new ATOM 1449 N SER A 95 -1.805 10.304 -11.546 1.00 1.20 N ATOM 1450 CA SER A 95 -1.413 9.041 -12.234 1.00 1.22 C ATOM 1451 C SER A 95 -0.613 8.147 -11.277 1.00 0.98 C ATOM 1452 O SER A 95 0.602 8.157 -11.297 1.00 0.98 O ATOM 1453 CB SER A 95 -0.543 9.483 -13.410 1.00 1.48 C ATOM 1454 OG SER A 95 -0.537 8.468 -14.403 1.00 2.01 O ATOM 0 H SER A 95 -1.028 10.883 -11.227 1.00 1.20 H new ATOM 0 HA SER A 95 -2.277 8.463 -12.563 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.925 10.414 -13.829 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.474 9.680 -13.070 1.00 1.48 H new ATOM 0 HG SER A 95 0.020 8.752 -15.158 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.322 7.398 -10.467 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.654 6.493 -9.498 1.00 0.72 C ATOM 1462 C PRO A 96 -0.009 5.311 -10.230 1.00 0.65 C ATOM 1463 O PRO A 96 -0.361 4.997 -11.349 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.794 6.022 -8.599 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.027 6.166 -9.435 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.788 7.318 -10.373 1.00 1.02 C ATOM 0 HA PRO A 96 0.147 6.978 -8.940 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.648 4.989 -8.284 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.858 6.625 -7.693 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.225 5.250 -9.991 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.899 6.353 -8.808 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.242 7.140 -11.348 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.215 8.243 -9.986 1.00 1.02 H new ATOM 1474 N LYS A 97 0.934 4.656 -9.610 1.00 0.55 N ATOM 1475 CA LYS A 97 1.599 3.499 -10.275 1.00 0.57 C ATOM 1476 C LYS A 97 1.105 2.181 -9.672 1.00 0.53 C ATOM 1477 O LYS A 97 1.083 2.006 -8.470 1.00 0.89 O ATOM 1478 CB LYS A 97 3.090 3.690 -9.996 1.00 0.68 C ATOM 1479 CG LYS A 97 3.686 4.646 -11.032 1.00 0.85 C ATOM 1480 CD LYS A 97 3.942 6.007 -10.381 1.00 1.63 C ATOM 1481 CE LYS A 97 4.794 6.869 -11.315 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.907 7.173 -12.473 1.00 2.61 N ATOM 0 H LYS A 97 1.273 4.871 -8.672 1.00 0.55 H new ATOM 0 HA LYS A 97 1.383 3.457 -11.343 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.235 4.089 -8.992 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.604 2.729 -10.034 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.617 4.238 -11.426 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.004 4.757 -11.875 1.00 0.85 H new ATOM 0 HD2 LYS A 97 2.995 6.505 -10.172 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.451 5.875 -9.426 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.123 7.782 -10.819 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.691 6.338 -11.633 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.288 7.986 -12.998 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.861 6.346 -13.102 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 2.952 7.399 -12.129 1.00 2.61 H new ATOM 1496 N GLU A 98 0.710 1.252 -10.500 1.00 0.51 N ATOM 1497 CA GLU A 98 0.220 -0.056 -9.975 1.00 0.48 C ATOM 1498 C GLU A 98 1.391 -1.029 -9.812 1.00 0.45 C ATOM 1499 O GLU A 98 2.403 -0.915 -10.476 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.759 -0.565 -11.034 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.025 -0.747 -12.363 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.470 0.342 -13.341 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.302 1.507 -13.018 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.971 -0.007 -14.396 1.00 2.61 O ATOM 0 H GLU A 98 0.705 1.341 -11.516 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.252 0.040 -8.997 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.196 -1.511 -10.715 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.581 0.141 -11.154 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.052 -0.693 -12.207 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.238 -1.733 -12.777 1.00 1.33 H new ATOM 1511 N TYR A 99 1.265 -1.983 -8.930 1.00 0.45 N ATOM 1512 CA TYR A 99 2.373 -2.959 -8.723 1.00 0.46 C ATOM 1513 C TYR A 99 2.228 -4.144 -9.680 1.00 0.53 C ATOM 1514 O TYR A 99 1.141 -4.627 -9.929 1.00 0.67 O ATOM 1515 CB TYR A 99 2.223 -3.424 -7.274 1.00 0.52 C ATOM 1516 CG TYR A 99 3.391 -2.922 -6.460 1.00 0.64 C ATOM 1517 CD1 TYR A 99 3.418 -1.592 -6.020 1.00 1.58 C ATOM 1518 CD2 TYR A 99 4.448 -3.784 -6.147 1.00 1.20 C ATOM 1519 CE1 TYR A 99 4.502 -1.125 -5.268 1.00 2.05 C ATOM 1520 CE2 TYR A 99 5.532 -3.318 -5.395 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.554 -1.991 -4.945 1.00 1.70 C ATOM 1522 OH TYR A 99 6.631 -1.530 -4.216 1.00 2.27 O ATOM 0 H TYR A 99 0.443 -2.129 -8.344 1.00 0.45 H new ATOM 0 HA TYR A 99 3.350 -2.516 -8.914 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.288 -3.051 -6.856 1.00 0.52 H new ATOM 0 HB3 TYR A 99 2.179 -4.512 -7.233 1.00 0.52 H new ATOM 0 HD1 TYR A 99 2.602 -0.927 -6.261 1.00 1.58 H new ATOM 0 HD2 TYR A 99 4.427 -4.809 -6.486 1.00 1.20 H new ATOM 0 HE1 TYR A 99 4.527 -0.097 -4.937 1.00 2.05 H new ATOM 0 HE2 TYR A 99 6.352 -3.981 -5.161 1.00 1.49 H new ATOM 0 HH TYR A 99 6.885 -2.201 -3.548 1.00 2.27 H new ATOM 1532 N THR A 100 3.319 -4.621 -10.212 1.00 0.60 N ATOM 1533 CA THR A 100 3.247 -5.780 -11.147 1.00 0.72 C ATOM 1534 C THR A 100 3.563 -7.077 -10.395 1.00 0.83 C ATOM 1535 O THR A 100 3.002 -8.118 -10.671 1.00 1.71 O ATOM 1536 CB THR A 100 4.310 -5.498 -12.209 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.441 -4.895 -11.598 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.736 -4.555 -13.268 1.00 1.13 C ATOM 0 H THR A 100 4.257 -4.259 -10.040 1.00 0.60 H new ATOM 0 HA THR A 100 2.257 -5.900 -11.588 1.00 0.72 H new ATOM 0 HB THR A 100 4.609 -6.434 -12.682 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.123 -4.715 -12.278 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.494 -4.354 -14.025 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.869 -5.019 -13.737 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.436 -3.619 -12.797 1.00 1.13 H new ATOM 1546 N ALA A 101 4.454 -7.017 -9.442 1.00 0.83 N ATOM 1547 CA ALA A 101 4.802 -8.243 -8.666 1.00 1.01 C ATOM 1548 C ALA A 101 3.595 -8.692 -7.837 1.00 1.36 C ATOM 1549 O ALA A 101 2.461 -8.524 -8.241 1.00 1.98 O ATOM 1550 CB ALA A 101 5.958 -7.819 -7.758 1.00 0.87 C ATOM 0 H ALA A 101 4.956 -6.173 -9.167 1.00 0.83 H new ATOM 0 HA ALA A 101 5.078 -9.081 -9.306 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.274 -8.668 -7.151 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.794 -7.478 -8.369 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.630 -7.009 -7.106 1.00 0.87 H new ATOM 1556 N GLY A 102 3.820 -9.257 -6.681 1.00 1.17 N ATOM 1557 CA GLY A 102 2.672 -9.704 -5.843 1.00 1.71 C ATOM 1558 C GLY A 102 2.903 -11.139 -5.368 1.00 1.08 C ATOM 1559 O GLY A 102 2.158 -12.041 -5.698 1.00 1.27 O ATOM 0 H GLY A 102 4.744 -9.427 -6.283 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.557 -9.042 -4.985 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.747 -9.646 -6.417 1.00 1.71 H new ATOM 1563 N ARG A 103 3.924 -11.356 -4.588 1.00 0.90 N ATOM 1564 CA ARG A 103 4.201 -12.730 -4.080 1.00 1.11 C ATOM 1565 C ARG A 103 4.495 -12.674 -2.582 1.00 0.94 C ATOM 1566 O ARG A 103 3.802 -13.261 -1.776 1.00 1.04 O ATOM 1567 CB ARG A 103 5.431 -13.204 -4.857 1.00 1.71 C ATOM 1568 CG ARG A 103 5.501 -14.734 -4.814 1.00 2.44 C ATOM 1569 CD ARG A 103 6.039 -15.259 -6.149 1.00 3.16 C ATOM 1570 NE ARG A 103 4.873 -15.924 -6.795 1.00 3.73 N ATOM 1571 CZ ARG A 103 5.055 -16.980 -7.541 1.00 4.34 C ATOM 1572 NH1 ARG A 103 5.596 -18.052 -7.032 1.00 4.84 N ATOM 1573 NH2 ARG A 103 4.694 -16.963 -8.795 1.00 4.81 N ATOM 0 H ARG A 103 4.581 -10.640 -4.279 1.00 0.90 H new ATOM 0 HA ARG A 103 3.357 -13.406 -4.218 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.377 -12.860 -5.890 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.335 -12.775 -4.425 1.00 1.71 H new ATOM 0 HG2 ARG A 103 6.147 -15.056 -3.997 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.512 -15.149 -4.620 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.424 -14.448 -6.767 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.860 -15.960 -5.996 1.00 3.16 H new ATOM 0 HE ARG A 103 3.933 -15.554 -6.655 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.877 -18.065 -6.051 1.00 4.84 H new ATOM 0 HH12 ARG A 103 5.738 -18.877 -7.614 1.00 4.84 H new ATOM 0 HH21 ARG A 103 4.270 -16.125 -9.192 1.00 4.81 H new ATOM 0 HH22 ARG A 103 4.836 -17.788 -9.378 1.00 4.81 H new ATOM 1587 N GLU A 104 5.516 -11.959 -2.209 1.00 0.75 N ATOM 1588 CA GLU A 104 5.867 -11.840 -0.765 1.00 0.66 C ATOM 1589 C GLU A 104 6.341 -10.417 -0.463 1.00 0.56 C ATOM 1590 O GLU A 104 6.581 -9.635 -1.361 1.00 0.57 O ATOM 1591 CB GLU A 104 7.003 -12.839 -0.543 1.00 0.79 C ATOM 1592 CG GLU A 104 6.557 -14.232 -0.987 1.00 1.59 C ATOM 1593 CD GLU A 104 7.244 -15.289 -0.120 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.572 -14.976 1.012 1.00 2.04 O ATOM 1595 OE2 GLU A 104 7.432 -16.393 -0.605 1.00 2.51 O ATOM 0 H GLU A 104 6.128 -11.448 -2.845 1.00 0.75 H new ATOM 0 HA GLU A 104 5.017 -12.045 -0.114 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.885 -12.532 -1.105 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.286 -12.855 0.510 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.474 -14.323 -0.901 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.807 -14.388 -2.036 1.00 1.59 H new ATOM 1602 N ALA A 105 6.472 -10.078 0.795 1.00 0.50 N ATOM 1603 CA ALA A 105 6.930 -8.703 1.178 1.00 0.44 C ATOM 1604 C ALA A 105 8.074 -8.210 0.284 1.00 0.45 C ATOM 1605 O ALA A 105 8.046 -7.104 -0.221 1.00 0.47 O ATOM 1606 CB ALA A 105 7.432 -8.851 2.611 1.00 0.47 C ATOM 0 H ALA A 105 6.280 -10.699 1.581 1.00 0.50 H new ATOM 0 HA ALA A 105 6.124 -7.977 1.072 1.00 0.44 H new ATOM 0 HB1 ALA A 105 7.788 -7.887 2.973 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.619 -9.200 3.247 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.248 -9.573 2.638 1.00 0.47 H new ATOM 1612 N ASP A 106 9.087 -9.013 0.096 1.00 0.51 N ATOM 1613 CA ASP A 106 10.237 -8.578 -0.752 1.00 0.56 C ATOM 1614 C ASP A 106 9.746 -8.015 -2.088 1.00 0.54 C ATOM 1615 O ASP A 106 10.215 -6.995 -2.551 1.00 0.64 O ATOM 1616 CB ASP A 106 11.070 -9.840 -0.978 1.00 0.67 C ATOM 1617 CG ASP A 106 11.761 -10.242 0.327 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.854 -9.404 1.209 1.00 2.02 O ATOM 1619 OD2 ASP A 106 12.185 -11.382 0.422 1.00 1.82 O ATOM 0 H ASP A 106 9.169 -9.950 0.492 1.00 0.51 H new ATOM 0 HA ASP A 106 10.814 -7.787 -0.273 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.431 -10.651 -1.328 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.814 -9.662 -1.755 1.00 0.67 H new ATOM 1624 N ASP A 107 8.803 -8.663 -2.708 1.00 0.50 N ATOM 1625 CA ASP A 107 8.287 -8.148 -4.009 1.00 0.52 C ATOM 1626 C ASP A 107 7.780 -6.715 -3.834 1.00 0.51 C ATOM 1627 O ASP A 107 7.661 -5.965 -4.783 1.00 0.63 O ATOM 1628 CB ASP A 107 7.137 -9.083 -4.391 1.00 0.55 C ATOM 1629 CG ASP A 107 7.580 -9.992 -5.539 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.374 -9.543 -6.350 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.118 -11.119 -5.589 1.00 1.41 O ATOM 0 H ASP A 107 8.367 -9.523 -2.375 1.00 0.50 H new ATOM 0 HA ASP A 107 9.057 -8.127 -4.780 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.841 -9.683 -3.531 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.265 -8.501 -4.689 1.00 0.55 H new ATOM 1636 N ILE A 108 7.478 -6.329 -2.622 1.00 0.46 N ATOM 1637 CA ILE A 108 6.975 -4.946 -2.377 1.00 0.52 C ATOM 1638 C ILE A 108 8.150 -3.991 -2.147 1.00 0.50 C ATOM 1639 O ILE A 108 8.206 -2.912 -2.705 1.00 0.52 O ATOM 1640 CB ILE A 108 6.122 -5.045 -1.108 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.132 -6.211 -1.222 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.347 -3.741 -0.913 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.284 -6.052 -2.484 1.00 0.68 C ATOM 0 H ILE A 108 7.558 -6.914 -1.790 1.00 0.46 H new ATOM 0 HA ILE A 108 6.405 -4.563 -3.224 1.00 0.52 H new ATOM 0 HB ILE A 108 6.778 -5.218 -0.255 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.673 -7.157 -1.254 1.00 0.73 H new ATOM 0 HG13 ILE A 108 4.489 -6.241 -0.342 1.00 0.73 H new ATOM 0 HG21 ILE A 108 4.740 -3.810 -0.010 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.048 -2.912 -0.816 1.00 0.67 H new ATOM 0 HG23 ILE A 108 4.700 -3.570 -1.773 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.583 -6.884 -2.559 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.731 -5.114 -2.435 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.933 -6.045 -3.360 1.00 0.68 H new ATOM 1655 N VAL A 109 9.086 -4.378 -1.323 1.00 0.51 N ATOM 1656 CA VAL A 109 10.251 -3.489 -1.054 1.00 0.56 C ATOM 1657 C VAL A 109 11.145 -3.415 -2.291 1.00 0.51 C ATOM 1658 O VAL A 109 11.605 -2.361 -2.685 1.00 0.55 O ATOM 1659 CB VAL A 109 10.980 -4.133 0.137 1.00 0.67 C ATOM 1660 CG1 VAL A 109 11.751 -5.383 -0.284 1.00 0.86 C ATOM 1661 CG2 VAL A 109 11.957 -3.118 0.721 1.00 0.81 C ATOM 0 H VAL A 109 9.094 -5.269 -0.826 1.00 0.51 H new ATOM 0 HA VAL A 109 9.957 -2.464 -0.826 1.00 0.56 H new ATOM 0 HB VAL A 109 10.236 -4.428 0.877 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.253 -5.810 0.584 1.00 0.86 H new ATOM 0 HG12 VAL A 109 11.058 -6.115 -0.699 1.00 0.86 H new ATOM 0 HG13 VAL A 109 12.492 -5.117 -1.037 1.00 0.86 H new ATOM 0 HG21 VAL A 109 12.481 -3.563 1.567 1.00 0.81 H new ATOM 0 HG22 VAL A 109 12.680 -2.828 -0.042 1.00 0.81 H new ATOM 0 HG23 VAL A 109 11.410 -2.237 1.056 1.00 0.81 H new ATOM 1671 N ASN A 110 11.378 -4.533 -2.905 1.00 0.50 N ATOM 1672 CA ASN A 110 12.228 -4.561 -4.125 1.00 0.52 C ATOM 1673 C ASN A 110 11.692 -3.567 -5.155 1.00 0.50 C ATOM 1674 O ASN A 110 12.421 -2.757 -5.692 1.00 0.59 O ATOM 1675 CB ASN A 110 12.112 -5.993 -4.644 1.00 0.59 C ATOM 1676 CG ASN A 110 13.395 -6.382 -5.376 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.873 -5.651 -6.222 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.979 -7.511 -5.084 1.00 1.29 N ATOM 0 H ASN A 110 11.014 -5.440 -2.613 1.00 0.50 H new ATOM 0 HA ASN A 110 13.263 -4.283 -3.925 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.934 -6.677 -3.814 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.258 -6.078 -5.316 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.837 -7.781 -5.565 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.578 -8.124 -4.374 1.00 1.29 H new ATOM 1685 N TRP A 111 10.419 -3.617 -5.424 1.00 0.46 N ATOM 1686 CA TRP A 111 9.829 -2.668 -6.410 1.00 0.51 C ATOM 1687 C TRP A 111 9.992 -1.235 -5.905 1.00 0.55 C ATOM 1688 O TRP A 111 10.185 -0.312 -6.670 1.00 0.66 O ATOM 1689 CB TRP A 111 8.349 -3.046 -6.492 1.00 0.55 C ATOM 1690 CG TRP A 111 7.819 -2.702 -7.846 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.836 -3.526 -8.919 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.193 -1.463 -8.291 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.260 -2.872 -9.994 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.848 -1.598 -9.657 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.893 -0.248 -7.649 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.229 -0.565 -10.362 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.269 0.795 -8.356 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.938 0.636 -9.709 1.00 1.14 C ATOM 0 H TRP A 111 9.760 -4.273 -5.005 1.00 0.46 H new ATOM 0 HA TRP A 111 10.312 -2.724 -7.385 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.224 -4.112 -6.301 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.785 -2.517 -5.724 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.234 -4.530 -8.934 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.153 -3.281 -10.922 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.143 -0.115 -6.607 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.977 -0.693 -11.404 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.043 1.724 -7.854 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.459 1.441 -10.246 1.00 1.14 H new ATOM 1709 N LEU A 112 9.922 -1.045 -4.615 1.00 0.55 N ATOM 1710 CA LEU A 112 10.081 0.326 -4.054 1.00 0.65 C ATOM 1711 C LEU A 112 11.558 0.727 -4.071 1.00 0.65 C ATOM 1712 O LEU A 112 11.909 1.829 -4.441 1.00 0.75 O ATOM 1713 CB LEU A 112 9.564 0.232 -2.617 1.00 0.74 C ATOM 1714 CG LEU A 112 8.172 0.865 -2.533 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.365 0.183 -1.426 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.307 2.356 -2.219 1.00 1.10 C ATOM 0 H LEU A 112 9.762 -1.780 -3.926 1.00 0.55 H new ATOM 0 HA LEU A 112 9.538 1.076 -4.629 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.521 -0.811 -2.302 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.248 0.742 -1.939 1.00 0.74 H new ATOM 0 HG LEU A 112 7.659 0.739 -3.487 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.375 0.634 -1.367 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.267 -0.879 -1.649 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.878 0.308 -0.472 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.316 2.806 -2.159 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.821 2.482 -1.266 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.880 2.843 -3.008 1.00 1.10 H new ATOM 1728 N LYS A 113 12.429 -0.162 -3.673 1.00 0.62 N ATOM 1729 CA LYS A 113 13.883 0.167 -3.667 1.00 0.70 C ATOM 1730 C LYS A 113 14.534 -0.263 -4.986 1.00 0.75 C ATOM 1731 O LYS A 113 15.677 -0.674 -5.017 1.00 1.01 O ATOM 1732 CB LYS A 113 14.463 -0.634 -2.501 1.00 0.79 C ATOM 1733 CG LYS A 113 14.860 0.321 -1.376 1.00 1.42 C ATOM 1734 CD LYS A 113 14.618 -0.353 -0.024 1.00 1.84 C ATOM 1735 CE LYS A 113 14.260 0.706 1.020 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.566 1.282 1.447 1.00 2.86 N ATOM 0 H LYS A 113 12.196 -1.102 -3.352 1.00 0.62 H new ATOM 0 HA LYS A 113 14.062 1.237 -3.560 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.729 -1.354 -2.139 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.331 -1.203 -2.833 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.910 0.598 -1.473 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.280 1.241 -1.444 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.812 -1.082 -0.109 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.509 -0.898 0.287 1.00 1.84 H new ATOM 0 HE2 LYS A 113 13.610 1.472 0.598 1.00 2.39 H new ATOM 0 HE3 LYS A 113 13.728 0.265 1.863 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 15.403 2.018 2.164 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.161 0.531 1.851 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.046 1.700 0.625 1.00 2.86 H new ATOM 1750 N LYS A 114 13.821 -0.170 -6.074 1.00 0.71 N ATOM 1751 CA LYS A 114 14.409 -0.575 -7.384 1.00 0.89 C ATOM 1752 C LYS A 114 14.688 0.660 -8.245 1.00 1.07 C ATOM 1753 O LYS A 114 15.576 0.661 -9.074 1.00 1.31 O ATOM 1754 CB LYS A 114 13.349 -1.459 -8.043 1.00 0.92 C ATOM 1755 CG LYS A 114 13.820 -2.915 -8.033 1.00 1.45 C ATOM 1756 CD LYS A 114 14.411 -3.273 -9.398 1.00 1.77 C ATOM 1757 CE LYS A 114 13.281 -3.438 -10.416 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.733 -2.682 -11.618 1.00 3.00 N ATOM 0 H LYS A 114 12.859 0.168 -6.114 1.00 0.71 H new ATOM 0 HA LYS A 114 15.357 -1.099 -7.263 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.402 -1.368 -7.510 1.00 0.92 H new ATOM 0 HB3 LYS A 114 13.171 -1.130 -9.067 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.567 -3.061 -7.253 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.985 -3.576 -7.802 1.00 1.45 H new ATOM 0 HD2 LYS A 114 15.098 -2.492 -9.725 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.987 -4.195 -9.326 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.112 -4.489 -10.651 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.341 -3.042 -10.031 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 13.009 -2.748 -12.362 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.880 -1.684 -11.365 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 14.626 -3.086 -11.967 1.00 3.00 H new ATOM 1772 N ARG A 115 13.936 1.710 -8.059 1.00 1.09 N ATOM 1773 CA ARG A 115 14.161 2.940 -8.874 1.00 1.40 C ATOM 1774 C ARG A 115 14.266 4.184 -7.980 1.00 1.25 C ATOM 1775 O ARG A 115 14.505 5.275 -8.456 1.00 1.55 O ATOM 1776 CB ARG A 115 12.937 3.038 -9.783 1.00 1.86 C ATOM 1777 CG ARG A 115 12.870 1.804 -10.685 1.00 2.43 C ATOM 1778 CD ARG A 115 12.024 2.118 -11.921 1.00 2.92 C ATOM 1779 NE ARG A 115 12.401 1.078 -12.919 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.749 1.427 -14.125 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.896 2.039 -14.900 1.00 4.34 N ATOM 1782 NH2 ARG A 115 13.952 1.166 -14.559 1.00 4.52 N ATOM 0 H ARG A 115 13.177 1.771 -7.380 1.00 1.09 H new ATOM 0 HA ARG A 115 15.093 2.887 -9.437 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.030 3.112 -9.183 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.993 3.942 -10.389 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.874 1.505 -10.985 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.438 0.965 -10.139 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.959 2.077 -11.691 1.00 2.92 H new ATOM 0 HD3 ARG A 115 12.231 3.120 -12.297 1.00 2.92 H new ATOM 0 HE ARG A 115 12.387 0.092 -12.658 1.00 3.45 H new ATOM 0 HH11 ARG A 115 10.956 2.245 -14.562 1.00 4.34 H new ATOM 0 HH12 ARG A 115 12.169 2.312 -15.844 1.00 4.34 H new ATOM 0 HH21 ARG A 115 14.620 0.689 -13.954 1.00 4.52 H new ATOM 0 HH22 ARG A 115 14.224 1.439 -15.503 1.00 4.52 H new ATOM 1796 N THR A 116 14.089 4.037 -6.693 1.00 1.09 N ATOM 1797 CA THR A 116 14.182 5.224 -5.793 1.00 1.33 C ATOM 1798 C THR A 116 15.178 4.956 -4.662 1.00 1.97 C ATOM 1799 O THR A 116 15.129 5.575 -3.618 1.00 2.63 O ATOM 1800 CB THR A 116 12.771 5.423 -5.229 1.00 1.60 C ATOM 1801 OG1 THR A 116 12.086 4.176 -5.194 1.00 2.17 O ATOM 1802 CG2 THR A 116 12.003 6.403 -6.117 1.00 1.81 C ATOM 0 H THR A 116 13.885 3.152 -6.229 1.00 1.09 H new ATOM 0 HA THR A 116 14.532 6.109 -6.324 1.00 1.33 H new ATOM 0 HB THR A 116 12.840 5.823 -4.217 1.00 1.60 H new ATOM 0 HG1 THR A 116 12.560 3.559 -4.598 1.00 2.17 H new ATOM 0 HG21 THR A 116 10.999 6.546 -5.718 1.00 1.81 H new ATOM 0 HG22 THR A 116 12.525 7.360 -6.139 1.00 1.81 H new ATOM 0 HG23 THR A 116 11.937 6.003 -7.129 1.00 1.81 H new ATOM 1810 N GLY A 117 16.085 4.040 -4.864 1.00 2.26 N ATOM 1811 CA GLY A 117 17.086 3.737 -3.803 1.00 3.23 C ATOM 1812 C GLY A 117 18.378 4.510 -4.092 1.00 3.72 C ATOM 1813 O GLY A 117 18.402 5.365 -4.955 1.00 3.64 O ATOM 0 H GLY A 117 16.176 3.489 -5.717 1.00 2.26 H new ATOM 0 HA2 GLY A 117 16.693 4.015 -2.825 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.288 2.666 -3.772 1.00 3.23 H new ATOM 1817 N PRO A 118 19.415 4.186 -3.362 1.00 4.60 N ATOM 1818 CA PRO A 118 20.717 4.869 -3.560 1.00 5.37 C ATOM 1819 C PRO A 118 21.357 4.422 -4.878 1.00 5.55 C ATOM 1820 O PRO A 118 22.372 3.755 -4.892 1.00 5.89 O ATOM 1821 CB PRO A 118 21.550 4.414 -2.365 1.00 6.27 C ATOM 1822 CG PRO A 118 20.946 3.110 -1.948 1.00 6.17 C ATOM 1823 CD PRO A 118 19.483 3.168 -2.303 1.00 5.22 C ATOM 0 HA PRO A 118 20.628 5.954 -3.618 1.00 5.37 H new ATOM 0 HB2 PRO A 118 22.599 4.294 -2.637 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.512 5.144 -1.556 1.00 6.27 H new ATOM 0 HG2 PRO A 118 21.434 2.279 -2.457 1.00 6.17 H new ATOM 0 HG3 PRO A 118 21.077 2.949 -0.878 1.00 6.17 H new ATOM 0 HD2 PRO A 118 19.119 2.202 -2.653 1.00 5.22 H new ATOM 0 HD3 PRO A 118 18.874 3.445 -1.443 1.00 5.22 H new ATOM 1831 N ALA A 119 20.767 4.782 -5.985 1.00 5.74 N ATOM 1832 CA ALA A 119 21.339 4.377 -7.302 1.00 6.37 C ATOM 1833 C ALA A 119 21.550 2.860 -7.342 1.00 7.12 C ATOM 1834 O ALA A 119 22.487 2.370 -7.941 1.00 7.52 O ATOM 1835 CB ALA A 119 22.678 5.107 -7.393 1.00 6.62 C ATOM 0 H ALA A 119 19.914 5.339 -6.035 1.00 5.74 H new ATOM 0 HA ALA A 119 20.681 4.628 -8.134 1.00 6.37 H new ATOM 0 HB1 ALA A 119 23.163 4.860 -8.337 1.00 6.62 H new ATOM 0 HB2 ALA A 119 22.510 6.183 -7.341 1.00 6.62 H new ATOM 0 HB3 ALA A 119 23.317 4.799 -6.565 1.00 6.62 H new ATOM 1841 N ALA A 120 20.687 2.115 -6.707 1.00 7.64 N ATOM 1842 CA ALA A 120 20.839 0.632 -6.710 1.00 8.64 C ATOM 1843 C ALA A 120 19.890 0.004 -7.733 1.00 9.09 C ATOM 1844 O ALA A 120 20.263 -0.063 -8.893 1.00 9.37 O ATOM 1845 CB ALA A 120 20.467 0.193 -5.293 1.00 9.17 C ATOM 1846 OXT ALA A 120 18.807 -0.398 -7.341 1.00 9.38 O ATOM 0 H ALA A 120 19.884 2.468 -6.187 1.00 7.64 H new ATOM 0 HA ALA A 120 21.848 0.321 -6.982 1.00 8.64 H new ATOM 0 HB1 ALA A 120 20.554 -0.891 -5.213 1.00 9.17 H new ATOM 0 HB2 ALA A 120 21.140 0.665 -4.577 1.00 9.17 H new ATOM 0 HB3 ALA A 120 19.441 0.492 -5.077 1.00 9.17 H new TER 1852 ALA A 120