USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 Single : A 8 HIS : no HE2:sc= -0.125 X(o=-0.12,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.0159 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.8!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) 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 HD1:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -1:sc= -2.24! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc=-0.00538 (180deg=-0.0165) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0.964 (180deg=0.929) USER MOD Single : A 68 THR OG1 : rot 126:sc= -2.63! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.387 K(o=-0.39,f=-3.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.0057) USER MOD Single : A 77 TYR OH : rot -125:sc= 0.951 USER MOD Single : A 82 TYR OH : rot -50:sc= -0.803 USER MOD Single : A 84 THR OG1 : rot -23:sc= -2.67! USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.382 (180deg=-0.766) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.49 F(o=-1.4,f=0.49) USER MOD Single : A 93 THR OG1 : rot 39:sc= -0.0764! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -3.71! USER MOD Single : A 100 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 110 ASN : amide:sc= 0.483 X(o=0.48,f=-0.003) 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 ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.889 2.256 12.764 1.00 1.37 N ATOM 40 CA GLU A 4 -4.595 2.992 12.600 1.00 1.14 C ATOM 41 C GLU A 4 -3.393 2.092 12.925 1.00 0.89 C ATOM 42 O GLU A 4 -3.342 1.449 13.953 1.00 1.30 O ATOM 43 CB GLU A 4 -4.669 4.169 13.572 1.00 1.67 C ATOM 44 CG GLU A 4 -3.437 5.057 13.393 1.00 2.39 C ATOM 45 CD GLU A 4 -3.047 5.670 14.739 1.00 2.65 C ATOM 46 OE1 GLU A 4 -2.878 4.916 15.683 1.00 3.05 O ATOM 47 OE2 GLU A 4 -2.925 6.882 14.803 1.00 3.09 O ATOM 0 HA GLU A 4 -4.455 3.322 11.571 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.576 4.746 13.392 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -4.722 3.804 14.598 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -2.609 4.471 12.995 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -3.646 5.845 12.670 1.00 2.39 H new ATOM 54 N GLU A 5 -2.422 2.065 12.047 1.00 1.00 N ATOM 55 CA GLU A 5 -1.195 1.235 12.268 1.00 0.81 C ATOM 56 C GLU A 5 -1.542 -0.252 12.435 1.00 0.87 C ATOM 57 O GLU A 5 -2.364 -0.625 13.247 1.00 1.15 O ATOM 58 CB GLU A 5 -0.556 1.786 13.545 1.00 0.95 C ATOM 59 CG GLU A 5 0.406 2.919 13.183 1.00 1.46 C ATOM 60 CD GLU A 5 0.196 3.319 11.721 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.949 3.398 11.308 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.184 3.540 11.040 1.00 2.50 O ATOM 0 H GLU A 5 -2.427 2.591 11.173 1.00 1.00 H new ATOM 0 HA GLU A 5 -0.521 1.293 11.413 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.328 2.152 14.222 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.021 0.993 14.069 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.236 3.777 13.834 1.00 1.46 H new ATOM 0 HG3 GLU A 5 1.436 2.600 13.339 1.00 1.46 H new ATOM 69 N GLU A 6 -0.910 -1.106 11.671 1.00 0.79 N ATOM 70 CA GLU A 6 -1.192 -2.562 11.785 1.00 1.04 C ATOM 71 C GLU A 6 0.117 -3.358 11.731 1.00 1.10 C ATOM 72 O GLU A 6 0.774 -3.423 10.711 1.00 1.76 O ATOM 73 CB GLU A 6 -2.063 -2.884 10.574 1.00 1.28 C ATOM 74 CG GLU A 6 -3.535 -2.835 10.985 1.00 1.68 C ATOM 75 CD GLU A 6 -3.940 -4.176 11.602 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.362 -5.045 10.856 1.00 2.24 O ATOM 77 OE2 GLU A 6 -3.822 -4.309 12.808 1.00 2.63 O ATOM 0 H GLU A 6 -0.210 -0.854 10.973 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.682 -2.820 12.724 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.873 -2.169 9.774 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.815 -3.871 10.185 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.696 -2.030 11.702 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.158 -2.619 10.117 1.00 1.68 H new ATOM 84 N ASP A 7 0.501 -3.962 12.824 1.00 1.27 N ATOM 85 CA ASP A 7 1.766 -4.754 12.844 1.00 1.35 C ATOM 86 C ASP A 7 2.955 -3.883 12.409 1.00 1.28 C ATOM 87 O ASP A 7 3.617 -3.278 13.228 1.00 2.01 O ATOM 88 CB ASP A 7 1.539 -5.903 11.859 1.00 1.53 C ATOM 89 CG ASP A 7 1.051 -7.139 12.618 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.769 -7.592 13.495 1.00 2.57 O ATOM 91 OD2 ASP A 7 -0.032 -7.609 12.310 1.00 2.36 O ATOM 0 H ASP A 7 -0.009 -3.941 13.707 1.00 1.27 H new ATOM 0 HA ASP A 7 2.002 -5.122 13.842 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.805 -5.612 11.107 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.464 -6.130 11.330 1.00 1.53 H new ATOM 96 N HIS A 8 3.235 -3.814 11.133 1.00 1.21 N ATOM 97 CA HIS A 8 4.386 -2.982 10.670 1.00 1.11 C ATOM 98 C HIS A 8 3.920 -1.921 9.663 1.00 0.81 C ATOM 99 O HIS A 8 4.624 -0.973 9.380 1.00 0.87 O ATOM 100 CB HIS A 8 5.344 -3.968 10.001 1.00 1.32 C ATOM 101 CG HIS A 8 6.157 -4.670 11.055 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.687 -5.936 10.859 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.537 -4.296 12.320 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.351 -6.275 11.979 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.292 -5.311 12.902 1.00 2.33 N ATOM 0 H HIS A 8 2.720 -4.295 10.395 1.00 1.21 H new ATOM 0 HA HIS A 8 4.856 -2.445 11.494 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.783 -4.696 9.414 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.002 -3.441 9.310 1.00 1.32 H new ATOM 0 HD1 HIS A 8 6.591 -6.506 10.019 1.00 2.30 H new ATOM 0 HD2 HIS A 8 6.288 -3.357 12.792 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.869 -7.213 12.115 1.00 2.53 H new ATOM 113 N VAL A 9 2.738 -2.068 9.125 1.00 0.69 N ATOM 114 CA VAL A 9 2.230 -1.071 8.148 1.00 0.49 C ATOM 115 C VAL A 9 1.068 -0.309 8.761 1.00 0.41 C ATOM 116 O VAL A 9 0.748 -0.479 9.917 1.00 0.54 O ATOM 117 CB VAL A 9 1.754 -1.897 6.958 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.944 -2.619 6.326 1.00 0.89 C ATOM 119 CG2 VAL A 9 0.718 -2.922 7.422 1.00 0.88 C ATOM 0 H VAL A 9 2.102 -2.841 9.324 1.00 0.69 H new ATOM 0 HA VAL A 9 2.986 -0.340 7.859 1.00 0.49 H new ATOM 0 HB VAL A 9 1.299 -1.236 6.220 1.00 0.68 H new ATOM 0 HG11 VAL A 9 2.602 -3.209 5.476 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.677 -1.886 5.988 1.00 0.89 H new ATOM 0 HG13 VAL A 9 3.403 -3.278 7.063 1.00 0.89 H new ATOM 0 HG21 VAL A 9 0.380 -3.510 6.569 1.00 0.88 H new ATOM 0 HG22 VAL A 9 1.167 -3.583 8.163 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.133 -2.404 7.865 1.00 0.88 H new ATOM 129 N LEU A 10 0.433 0.529 8.000 1.00 0.41 N ATOM 130 CA LEU A 10 -0.712 1.294 8.552 1.00 0.54 C ATOM 131 C LEU A 10 -1.987 0.982 7.783 1.00 0.42 C ATOM 132 O LEU A 10 -1.983 0.269 6.799 1.00 0.59 O ATOM 133 CB LEU A 10 -0.348 2.771 8.393 1.00 0.83 C ATOM 134 CG LEU A 10 0.147 3.052 6.971 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.499 4.341 6.457 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.667 3.215 6.986 1.00 1.49 C ATOM 0 H LEU A 10 0.656 0.718 7.023 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.894 1.034 9.595 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.217 3.391 8.611 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.424 3.041 9.113 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.123 2.222 6.318 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.149 4.545 5.445 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.583 4.227 6.450 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.225 5.170 7.109 1.00 1.30 H new ATOM 0 HD21 LEU A 10 2.021 3.415 5.975 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.937 4.047 7.637 1.00 1.49 H new ATOM 0 HD23 LEU A 10 2.127 2.299 7.357 1.00 1.49 H new ATOM 148 N VAL A 11 -3.079 1.522 8.228 1.00 0.54 N ATOM 149 CA VAL A 11 -4.370 1.276 7.530 1.00 0.46 C ATOM 150 C VAL A 11 -4.965 2.606 7.066 1.00 0.43 C ATOM 151 O VAL A 11 -4.715 3.642 7.648 1.00 0.54 O ATOM 152 CB VAL A 11 -5.271 0.606 8.569 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.511 1.562 9.739 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.608 0.245 7.921 1.00 1.04 C ATOM 0 H VAL A 11 -3.137 2.126 9.048 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.254 0.650 6.645 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.787 -0.298 8.939 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.153 1.081 10.476 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.558 1.819 10.201 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.994 2.469 9.375 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.253 -0.233 8.659 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.089 1.150 7.551 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.437 -0.440 7.091 1.00 1.04 H new ATOM 164 N LEU A 12 -5.742 2.591 6.020 1.00 0.40 N ATOM 165 CA LEU A 12 -6.335 3.865 5.526 1.00 0.45 C ATOM 166 C LEU A 12 -7.840 3.874 5.733 1.00 0.44 C ATOM 167 O LEU A 12 -8.411 3.017 6.379 1.00 0.58 O ATOM 168 CB LEU A 12 -6.018 3.911 4.032 1.00 0.63 C ATOM 169 CG LEU A 12 -5.288 5.216 3.692 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.035 5.353 4.559 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.884 5.200 2.216 1.00 1.16 C ATOM 0 H LEU A 12 -5.991 1.757 5.488 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.931 4.725 6.061 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.400 3.056 3.756 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.939 3.838 3.454 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.951 6.059 3.884 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.521 6.282 4.312 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.320 5.364 5.611 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.370 4.510 4.372 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -4.365 6.126 1.971 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -4.224 4.353 2.029 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.776 5.109 1.596 1.00 1.16 H new ATOM 183 N ARG A 13 -8.477 4.851 5.174 1.00 0.47 N ATOM 184 CA ARG A 13 -9.956 4.964 5.304 1.00 0.55 C ATOM 185 C ARG A 13 -10.495 6.002 4.313 1.00 0.54 C ATOM 186 O ARG A 13 -9.751 6.598 3.558 1.00 0.73 O ATOM 187 CB ARG A 13 -10.200 5.411 6.746 1.00 0.69 C ATOM 188 CG ARG A 13 -11.022 4.346 7.476 1.00 1.19 C ATOM 189 CD ARG A 13 -11.719 4.978 8.681 1.00 1.28 C ATOM 190 NE ARG A 13 -13.169 4.954 8.338 1.00 1.86 N ATOM 191 CZ ARG A 13 -13.865 6.056 8.375 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.526 7.067 7.623 1.00 2.84 N ATOM 193 NH2 ARG A 13 -14.899 6.148 9.164 1.00 2.68 N ATOM 0 H ARG A 13 -8.036 5.589 4.624 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.463 4.024 5.084 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.249 5.565 7.256 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.727 6.365 6.758 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -11.760 3.915 6.800 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.375 3.532 7.802 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.519 4.416 9.593 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.370 5.996 8.851 1.00 1.28 H new ATOM 0 HE ARG A 13 -13.617 4.076 8.074 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.717 6.995 7.006 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -14.070 7.929 7.652 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -15.163 5.358 9.752 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -15.443 7.010 9.193 1.00 2.68 H new ATOM 207 N LYS A 14 -11.783 6.213 4.304 1.00 0.58 N ATOM 208 CA LYS A 14 -12.376 7.203 3.354 1.00 0.63 C ATOM 209 C LYS A 14 -11.695 8.569 3.490 1.00 0.65 C ATOM 210 O LYS A 14 -11.692 9.362 2.569 1.00 0.83 O ATOM 211 CB LYS A 14 -13.847 7.298 3.755 1.00 0.74 C ATOM 212 CG LYS A 14 -14.678 6.363 2.873 1.00 1.26 C ATOM 213 CD LYS A 14 -16.164 6.550 3.184 1.00 1.92 C ATOM 214 CE LYS A 14 -16.564 8.004 2.920 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.053 8.004 2.955 1.00 2.80 N ATOM 0 H LYS A 14 -12.453 5.743 4.913 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.248 6.897 2.316 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.967 7.028 4.804 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.199 8.324 3.648 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.487 6.574 1.821 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.387 5.327 3.048 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.762 5.880 2.567 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.364 6.290 4.223 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.151 8.671 3.677 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.191 8.347 1.955 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.397 8.976 3.089 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.421 7.626 2.059 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.382 7.409 3.742 1.00 2.80 H new ATOM 229 N SER A 15 -11.126 8.857 4.627 1.00 0.68 N ATOM 230 CA SER A 15 -10.457 10.181 4.808 1.00 0.88 C ATOM 231 C SER A 15 -8.966 10.000 5.120 1.00 0.81 C ATOM 232 O SER A 15 -8.200 10.943 5.086 1.00 1.05 O ATOM 233 CB SER A 15 -11.175 10.828 5.992 1.00 1.10 C ATOM 234 OG SER A 15 -11.499 12.172 5.670 1.00 1.68 O ATOM 0 H SER A 15 -11.094 8.238 5.437 1.00 0.68 H new ATOM 0 HA SER A 15 -10.514 10.792 3.907 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.081 10.271 6.230 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.540 10.798 6.877 1.00 1.10 H new ATOM 0 HG SER A 15 -11.961 12.588 6.428 1.00 1.68 H new ATOM 240 N ASN A 16 -8.548 8.803 5.426 1.00 0.65 N ATOM 241 CA ASN A 16 -7.108 8.573 5.742 1.00 0.68 C ATOM 242 C ASN A 16 -6.263 8.661 4.468 1.00 0.55 C ATOM 243 O ASN A 16 -5.106 9.032 4.501 1.00 0.56 O ATOM 244 CB ASN A 16 -7.057 7.158 6.312 1.00 0.87 C ATOM 245 CG ASN A 16 -6.468 7.185 7.721 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.892 8.170 8.138 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.588 6.129 8.479 1.00 0.98 N ATOM 0 H ASN A 16 -9.140 7.974 5.471 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.714 9.315 6.437 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.059 6.730 6.336 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.453 6.519 5.668 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.198 6.131 9.422 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.072 5.302 8.129 1.00 0.98 H new ATOM 254 N PHE A 17 -6.831 8.313 3.350 1.00 0.55 N ATOM 255 CA PHE A 17 -6.063 8.365 2.074 1.00 0.51 C ATOM 256 C PHE A 17 -5.428 9.746 1.880 1.00 0.46 C ATOM 257 O PHE A 17 -4.222 9.893 1.903 1.00 0.52 O ATOM 258 CB PHE A 17 -7.097 8.090 0.985 1.00 0.56 C ATOM 259 CG PHE A 17 -6.388 7.859 -0.325 1.00 0.62 C ATOM 260 CD1 PHE A 17 -5.829 8.938 -1.018 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.293 6.565 -0.849 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.173 8.722 -2.236 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.639 6.349 -2.065 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.067 7.433 -2.755 1.00 0.87 C ATOM 0 H PHE A 17 -7.796 7.994 3.263 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.246 7.644 2.057 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.695 7.217 1.247 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.783 8.932 0.897 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.903 9.937 -0.614 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.725 5.733 -0.313 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.748 9.556 -2.774 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.573 5.352 -2.474 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.546 7.267 -3.686 1.00 0.87 H new ATOM 274 N ALA A 18 -6.228 10.759 1.691 1.00 0.52 N ATOM 275 CA ALA A 18 -5.668 12.130 1.494 1.00 0.66 C ATOM 276 C ALA A 18 -4.693 12.471 2.623 1.00 0.59 C ATOM 277 O ALA A 18 -3.817 13.301 2.471 1.00 0.75 O ATOM 278 CB ALA A 18 -6.881 13.062 1.531 1.00 0.84 C ATOM 0 H ALA A 18 -7.246 10.699 1.664 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.114 12.220 0.560 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.553 14.092 1.393 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.572 12.791 0.733 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.383 12.967 2.494 1.00 0.84 H new ATOM 284 N GLU A 19 -4.830 11.832 3.751 1.00 0.46 N ATOM 285 CA GLU A 19 -3.908 12.111 4.885 1.00 0.49 C ATOM 286 C GLU A 19 -2.596 11.359 4.673 1.00 0.48 C ATOM 287 O GLU A 19 -1.542 11.949 4.550 1.00 0.56 O ATOM 288 CB GLU A 19 -4.632 11.586 6.122 1.00 0.55 C ATOM 289 CG GLU A 19 -3.832 11.955 7.372 1.00 0.69 C ATOM 290 CD GLU A 19 -4.775 12.517 8.437 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.948 12.187 8.393 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.307 13.269 9.277 1.00 1.66 O ATOM 0 H GLU A 19 -5.543 11.127 3.936 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.665 13.169 4.979 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.634 12.012 6.179 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.749 10.504 6.057 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.314 11.077 7.757 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.068 12.692 7.123 1.00 0.69 H new ATOM 299 N ALA A 20 -2.657 10.056 4.617 1.00 0.45 N ATOM 300 CA ALA A 20 -1.416 9.259 4.398 1.00 0.53 C ATOM 301 C ALA A 20 -0.686 9.770 3.155 1.00 0.57 C ATOM 302 O ALA A 20 0.525 9.726 3.067 1.00 0.71 O ATOM 303 CB ALA A 20 -1.899 7.824 4.186 1.00 0.57 C ATOM 0 H ALA A 20 -3.513 9.509 4.713 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.719 9.332 5.233 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.041 7.173 4.017 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.442 7.488 5.070 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.559 7.787 3.319 1.00 0.57 H new ATOM 309 N LEU A 21 -1.420 10.267 2.198 1.00 0.55 N ATOM 310 CA LEU A 21 -0.779 10.796 0.962 1.00 0.69 C ATOM 311 C LEU A 21 -0.006 12.071 1.291 1.00 0.75 C ATOM 312 O LEU A 21 1.182 12.172 1.055 1.00 0.92 O ATOM 313 CB LEU A 21 -1.938 11.097 0.012 1.00 0.74 C ATOM 314 CG LEU A 21 -2.043 9.987 -1.036 1.00 0.84 C ATOM 315 CD1 LEU A 21 -0.746 9.925 -1.846 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.275 8.643 -0.342 1.00 0.90 C ATOM 0 H LEU A 21 -2.438 10.330 2.219 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.071 10.094 0.522 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.870 11.172 0.572 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.781 12.059 -0.476 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.879 10.199 -1.702 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -0.821 9.134 -2.593 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.582 10.880 -2.344 1.00 1.44 H new ATOM 0 HD13 LEU A 21 0.090 9.716 -1.179 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -2.349 7.855 -1.091 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.441 8.430 0.327 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.200 8.685 0.233 1.00 0.90 H new ATOM 328 N ALA A 22 -0.673 13.043 1.846 1.00 0.71 N ATOM 329 CA ALA A 22 0.021 14.311 2.207 1.00 0.85 C ATOM 330 C ALA A 22 0.991 14.047 3.359 1.00 0.89 C ATOM 331 O ALA A 22 1.997 14.711 3.505 1.00 1.08 O ATOM 332 CB ALA A 22 -1.091 15.264 2.644 1.00 1.00 C ATOM 0 H ALA A 22 -1.669 13.015 2.066 1.00 0.71 H new ATOM 0 HA ALA A 22 0.600 14.725 1.382 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.658 16.223 2.927 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.790 15.410 1.820 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.620 14.839 3.497 1.00 1.00 H new ATOM 338 N ALA A 23 0.694 13.070 4.173 1.00 0.86 N ATOM 339 CA ALA A 23 1.597 12.747 5.312 1.00 0.93 C ATOM 340 C ALA A 23 2.925 12.203 4.778 1.00 0.85 C ATOM 341 O ALA A 23 3.948 12.855 4.852 1.00 0.95 O ATOM 342 CB ALA A 23 0.855 11.675 6.111 1.00 1.05 C ATOM 0 H ALA A 23 -0.136 12.482 4.097 1.00 0.86 H new ATOM 0 HA ALA A 23 1.830 13.618 5.925 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.456 11.381 6.971 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.100 12.073 6.454 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.679 10.806 5.477 1.00 1.05 H new ATOM 348 N HIS A 24 2.914 11.018 4.230 1.00 0.83 N ATOM 349 CA HIS A 24 4.173 10.439 3.679 1.00 0.84 C ATOM 350 C HIS A 24 4.068 10.338 2.155 1.00 0.82 C ATOM 351 O HIS A 24 3.144 9.753 1.625 1.00 1.30 O ATOM 352 CB HIS A 24 4.281 9.051 4.308 1.00 0.95 C ATOM 353 CG HIS A 24 5.601 8.918 5.013 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.752 8.511 4.355 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.972 9.129 6.318 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.749 8.490 5.257 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.329 8.859 6.470 1.00 2.00 N ATOM 0 H HIS A 24 2.088 10.426 4.140 1.00 0.83 H new ATOM 0 HA HIS A 24 5.049 11.049 3.902 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.464 8.895 5.012 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.189 8.284 3.539 1.00 0.95 H new ATOM 0 HD2 HIS A 24 5.311 9.455 7.107 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.766 8.209 5.028 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.883 8.928 7.324 1.00 2.00 H new ATOM 365 N LYS A 25 5.001 10.912 1.443 1.00 0.72 N ATOM 366 CA LYS A 25 4.948 10.858 -0.049 1.00 0.69 C ATOM 367 C LYS A 25 4.707 9.423 -0.533 1.00 0.59 C ATOM 368 O LYS A 25 3.607 9.062 -0.902 1.00 0.68 O ATOM 369 CB LYS A 25 6.315 11.355 -0.516 1.00 0.81 C ATOM 370 CG LYS A 25 6.416 12.864 -0.284 1.00 1.20 C ATOM 371 CD LYS A 25 7.464 13.146 0.794 1.00 1.51 C ATOM 372 CE LYS A 25 8.858 13.149 0.162 1.00 2.06 C ATOM 373 NZ LYS A 25 9.180 14.587 -0.054 1.00 2.47 N ATOM 0 H LYS A 25 5.799 11.417 1.830 1.00 0.72 H new ATOM 0 HA LYS A 25 4.133 11.463 -0.447 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.106 10.839 0.028 1.00 0.81 H new ATOM 0 HB3 LYS A 25 6.454 11.129 -1.573 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.688 13.368 -1.211 1.00 1.20 H new ATOM 0 HG3 LYS A 25 5.448 13.261 0.022 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.265 14.108 1.267 1.00 1.51 H new ATOM 0 HD3 LYS A 25 7.409 12.389 1.576 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.589 12.675 0.817 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.866 12.597 -0.778 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.123 14.671 -0.485 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 8.471 15.010 -0.686 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.171 15.086 0.859 1.00 2.47 H new ATOM 387 N TYR A 26 5.722 8.602 -0.530 1.00 0.52 N ATOM 388 CA TYR A 26 5.539 7.196 -0.988 1.00 0.48 C ATOM 389 C TYR A 26 4.564 6.474 -0.058 1.00 0.46 C ATOM 390 O TYR A 26 4.886 6.156 1.069 1.00 0.53 O ATOM 391 CB TYR A 26 6.931 6.567 -0.908 1.00 0.56 C ATOM 392 CG TYR A 26 7.861 7.261 -1.879 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.426 7.547 -3.179 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.155 7.617 -1.480 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.285 8.187 -4.080 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.014 8.257 -2.383 1.00 1.31 C ATOM 397 CZ TYR A 26 9.584 8.550 -3.671 1.00 1.08 C ATOM 398 OH TYR A 26 10.426 9.170 -4.571 1.00 1.33 O ATOM 0 H TYR A 26 6.667 8.843 -0.231 1.00 0.52 H new ATOM 0 HA TYR A 26 5.128 7.133 -1.996 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.321 6.651 0.107 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.874 5.504 -1.141 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.427 7.274 -3.487 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.491 7.398 -0.477 1.00 1.08 H new ATOM 0 HE1 TYR A 26 7.954 8.402 -5.085 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.015 8.524 -2.076 1.00 1.31 H new ATOM 0 HH TYR A 26 11.285 9.358 -4.139 1.00 1.33 H new ATOM 408 N LEU A 27 3.369 6.223 -0.516 1.00 0.46 N ATOM 409 CA LEU A 27 2.374 5.533 0.352 1.00 0.45 C ATOM 410 C LEU A 27 1.772 4.331 -0.374 1.00 0.40 C ATOM 411 O LEU A 27 0.997 4.473 -1.299 1.00 0.50 O ATOM 412 CB LEU A 27 1.300 6.587 0.631 1.00 0.51 C ATOM 413 CG LEU A 27 0.981 6.619 2.129 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.402 5.270 2.556 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.260 6.899 2.921 1.00 0.66 C ATOM 0 H LEU A 27 3.039 6.465 -1.450 1.00 0.46 H new ATOM 0 HA LEU A 27 2.822 5.151 1.269 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.645 7.567 0.302 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.398 6.360 0.063 1.00 0.51 H new ATOM 0 HG LEU A 27 0.254 7.406 2.327 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.175 5.292 3.622 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.511 5.072 1.995 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.129 4.483 2.356 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.031 6.921 3.986 1.00 0.66 H new ATOM 0 HD22 LEU A 27 2.990 6.114 2.723 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.672 7.862 2.618 1.00 0.66 H new ATOM 427 N LEU A 28 2.116 3.146 0.048 1.00 0.33 N ATOM 428 CA LEU A 28 1.553 1.932 -0.609 1.00 0.32 C ATOM 429 C LEU A 28 0.141 1.680 -0.081 1.00 0.29 C ATOM 430 O LEU A 28 -0.086 1.655 1.111 1.00 0.35 O ATOM 431 CB LEU A 28 2.489 0.790 -0.206 1.00 0.40 C ATOM 432 CG LEU A 28 2.718 -0.132 -1.404 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.378 -0.688 -1.886 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.379 0.658 -2.533 1.00 0.73 C ATOM 0 H LEU A 28 2.761 2.965 0.817 1.00 0.33 H new ATOM 0 HA LEU A 28 1.486 2.032 -1.692 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.440 1.192 0.144 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.057 0.227 0.622 1.00 0.40 H new ATOM 0 HG LEU A 28 3.366 -0.957 -1.109 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.543 -1.345 -2.740 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.907 -1.251 -1.080 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.728 0.135 -2.182 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.543 0.002 -3.388 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.731 1.483 -2.828 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.335 1.053 -2.190 1.00 0.73 H new ATOM 446 N VAL A 29 -0.815 1.502 -0.951 1.00 0.32 N ATOM 447 CA VAL A 29 -2.206 1.265 -0.468 1.00 0.32 C ATOM 448 C VAL A 29 -2.845 0.081 -1.198 1.00 0.34 C ATOM 449 O VAL A 29 -2.876 0.026 -2.411 1.00 0.47 O ATOM 450 CB VAL A 29 -2.964 2.557 -0.779 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.368 2.474 -0.181 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.224 3.750 -0.169 1.00 0.77 C ATOM 0 H VAL A 29 -0.697 1.510 -1.964 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.227 1.022 0.594 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.030 2.687 -1.859 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.912 3.393 -0.400 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.899 1.626 -0.614 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.296 2.344 0.899 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.767 4.668 -0.393 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.156 3.623 0.911 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.221 3.810 -0.591 1.00 0.77 H new ATOM 462 N GLU A 30 -3.361 -0.864 -0.460 1.00 0.32 N ATOM 463 CA GLU A 30 -4.008 -2.048 -1.097 1.00 0.39 C ATOM 464 C GLU A 30 -5.481 -2.125 -0.685 1.00 0.36 C ATOM 465 O GLU A 30 -5.808 -2.134 0.486 1.00 0.42 O ATOM 466 CB GLU A 30 -3.237 -3.258 -0.572 1.00 0.52 C ATOM 467 CG GLU A 30 -3.715 -4.521 -1.293 1.00 0.64 C ATOM 468 CD GLU A 30 -2.873 -5.717 -0.841 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.356 -5.669 0.263 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.761 -6.660 -1.607 1.00 1.48 O ATOM 0 H GLU A 30 -3.363 -0.868 0.560 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.983 -1.997 -2.186 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.168 -3.118 -0.731 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.388 -3.361 0.503 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.768 -4.701 -1.075 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.631 -4.391 -2.372 1.00 0.64 H new ATOM 477 N PHE A 31 -6.372 -2.173 -1.636 1.00 0.35 N ATOM 478 CA PHE A 31 -7.819 -2.240 -1.302 1.00 0.36 C ATOM 479 C PHE A 31 -8.334 -3.676 -1.437 1.00 0.39 C ATOM 480 O PHE A 31 -8.377 -4.227 -2.519 1.00 0.49 O ATOM 481 CB PHE A 31 -8.496 -1.341 -2.333 1.00 0.41 C ATOM 482 CG PHE A 31 -8.048 0.088 -2.141 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.640 0.881 -1.152 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.034 0.617 -2.949 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.220 2.204 -0.971 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.614 1.940 -2.767 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.225 2.742 -1.794 1.00 0.53 C ATOM 0 H PHE A 31 -6.158 -2.169 -2.633 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.020 -1.925 -0.278 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.248 -1.677 -3.340 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.579 -1.409 -2.232 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.421 0.472 -0.528 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.576 0.005 -3.712 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.665 2.810 -0.195 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.819 2.343 -3.377 1.00 0.52 H new ATOM 0 HZ PHE A 31 -6.928 3.774 -1.680 1.00 0.53 H new ATOM 497 N TYR A 32 -8.737 -4.284 -0.355 1.00 0.37 N ATOM 498 CA TYR A 32 -9.259 -5.680 -0.448 1.00 0.44 C ATOM 499 C TYR A 32 -10.386 -5.901 0.560 1.00 0.40 C ATOM 500 O TYR A 32 -10.898 -4.973 1.150 1.00 0.45 O ATOM 501 CB TYR A 32 -8.067 -6.593 -0.134 1.00 0.54 C ATOM 502 CG TYR A 32 -7.652 -6.437 1.313 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.093 -5.235 1.760 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.831 -7.501 2.206 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.714 -5.096 3.100 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.453 -7.361 3.547 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.895 -6.158 3.994 1.00 0.77 C ATOM 508 OH TYR A 32 -6.521 -6.020 5.315 1.00 0.94 O ATOM 0 H TYR A 32 -8.729 -3.881 0.582 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.673 -5.888 -1.435 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.333 -7.631 -0.333 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.230 -6.347 -0.788 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.954 -4.415 1.071 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.261 -8.430 1.860 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.281 -4.168 3.445 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.592 -8.181 4.236 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.716 -6.850 5.799 1.00 0.94 H new ATOM 518 N ALA A 33 -10.767 -7.129 0.765 1.00 0.40 N ATOM 519 CA ALA A 33 -11.857 -7.412 1.741 1.00 0.44 C ATOM 520 C ALA A 33 -11.410 -8.498 2.725 1.00 0.53 C ATOM 521 O ALA A 33 -10.530 -9.279 2.420 1.00 0.56 O ATOM 522 CB ALA A 33 -13.032 -7.902 0.895 1.00 0.49 C ATOM 0 H ALA A 33 -10.373 -7.948 0.301 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.123 -6.536 2.332 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.877 -8.132 1.544 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.319 -7.125 0.187 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.739 -8.799 0.350 1.00 0.49 H new ATOM 528 N PRO A 34 -12.037 -8.524 3.875 1.00 0.63 N ATOM 529 CA PRO A 34 -11.691 -9.542 4.896 1.00 0.78 C ATOM 530 C PRO A 34 -12.120 -10.932 4.421 1.00 0.82 C ATOM 531 O PRO A 34 -11.671 -11.939 4.931 1.00 0.96 O ATOM 532 CB PRO A 34 -12.491 -9.109 6.123 1.00 0.90 C ATOM 533 CG PRO A 34 -13.630 -8.313 5.572 1.00 0.81 C ATOM 534 CD PRO A 34 -13.120 -7.637 4.328 1.00 0.66 C ATOM 0 HA PRO A 34 -10.622 -9.606 5.098 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.847 -9.971 6.688 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.882 -8.512 6.802 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.478 -8.958 5.342 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.976 -7.578 6.298 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.902 -7.541 3.574 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.754 -6.632 4.538 1.00 0.66 H new ATOM 542 N TRP A 35 -12.986 -10.996 3.444 1.00 0.74 N ATOM 543 CA TRP A 35 -13.435 -12.320 2.937 1.00 0.83 C ATOM 544 C TRP A 35 -12.619 -12.729 1.705 1.00 0.78 C ATOM 545 O TRP A 35 -12.658 -13.866 1.279 1.00 0.92 O ATOM 546 CB TRP A 35 -14.911 -12.129 2.576 1.00 0.91 C ATOM 547 CG TRP A 35 -15.040 -11.138 1.461 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.385 -9.839 1.612 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.837 -11.345 0.034 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.408 -9.235 0.368 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.076 -10.122 -0.637 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.472 -12.463 -0.738 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.958 -10.011 -2.022 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.352 -12.355 -2.133 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.594 -11.132 -2.773 1.00 2.26 C ATOM 0 H TRP A 35 -13.400 -10.189 2.978 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.298 -13.111 3.675 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.348 -13.082 2.279 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.466 -11.782 3.448 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.606 -9.353 2.551 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.642 -8.254 0.212 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.283 -13.410 -0.255 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.146 -9.066 -2.510 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.072 -13.220 -2.716 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.499 -11.056 -3.846 1.00 2.26 H new ATOM 566 N CYS A 36 -11.878 -11.816 1.125 1.00 0.65 N ATOM 567 CA CYS A 36 -11.066 -12.173 -0.077 1.00 0.67 C ATOM 568 C CYS A 36 -10.230 -13.427 0.201 1.00 0.84 C ATOM 569 O CYS A 36 -9.916 -13.737 1.333 1.00 1.63 O ATOM 570 CB CYS A 36 -10.164 -10.964 -0.314 1.00 0.58 C ATOM 571 SG CYS A 36 -9.138 -11.255 -1.775 1.00 1.07 S ATOM 0 H CYS A 36 -11.801 -10.846 1.430 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.686 -12.395 -0.946 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.768 -10.068 -0.453 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.533 -10.791 0.558 1.00 0.58 H new ATOM 576 N GLY A 37 -9.875 -14.157 -0.822 1.00 0.96 N ATOM 577 CA GLY A 37 -9.069 -15.393 -0.610 1.00 1.08 C ATOM 578 C GLY A 37 -7.623 -15.156 -1.051 1.00 1.00 C ATOM 579 O GLY A 37 -6.692 -15.633 -0.435 1.00 1.83 O ATOM 0 H GLY A 37 -10.108 -13.951 -1.793 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.095 -15.678 0.442 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.500 -16.219 -1.175 1.00 1.08 H new ATOM 583 N HIS A 38 -7.425 -14.427 -2.115 1.00 0.89 N ATOM 584 CA HIS A 38 -6.033 -14.171 -2.590 1.00 0.97 C ATOM 585 C HIS A 38 -5.473 -12.889 -1.966 1.00 0.88 C ATOM 586 O HIS A 38 -4.437 -12.398 -2.368 1.00 1.13 O ATOM 587 CB HIS A 38 -6.156 -14.021 -4.106 1.00 1.32 C ATOM 588 CG HIS A 38 -6.188 -15.385 -4.743 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.310 -15.751 -5.749 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.986 -16.480 -4.524 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.596 -17.019 -6.096 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.611 -17.512 -5.380 1.00 2.87 N ATOM 0 H HIS A 38 -8.162 -13.999 -2.675 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.352 -14.974 -2.310 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.063 -13.470 -4.356 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.316 -13.446 -4.495 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -7.784 -16.533 -3.798 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -5.069 -17.571 -6.860 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.022 -18.443 -5.446 1.00 2.87 H new ATOM 600 N CYS A 39 -6.138 -12.347 -0.983 1.00 0.79 N ATOM 601 CA CYS A 39 -5.625 -11.105 -0.337 1.00 0.88 C ATOM 602 C CYS A 39 -4.914 -11.463 0.968 1.00 0.82 C ATOM 603 O CYS A 39 -3.956 -10.829 1.361 1.00 1.00 O ATOM 604 CB CYS A 39 -6.866 -10.256 -0.064 1.00 1.08 C ATOM 605 SG CYS A 39 -7.684 -9.870 -1.630 1.00 1.00 S ATOM 0 H CYS A 39 -7.011 -12.709 -0.600 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.906 -10.573 -0.960 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.550 -10.792 0.594 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.586 -9.336 0.449 1.00 1.08 H new ATOM 610 N LYS A 40 -5.377 -12.482 1.636 1.00 0.78 N ATOM 611 CA LYS A 40 -4.729 -12.893 2.914 1.00 0.94 C ATOM 612 C LYS A 40 -3.436 -13.666 2.620 1.00 0.84 C ATOM 613 O LYS A 40 -2.563 -13.771 3.457 1.00 0.94 O ATOM 614 CB LYS A 40 -5.758 -13.788 3.616 1.00 1.21 C ATOM 615 CG LYS A 40 -5.962 -15.082 2.820 1.00 1.56 C ATOM 616 CD LYS A 40 -7.188 -15.823 3.357 1.00 2.11 C ATOM 617 CE LYS A 40 -7.133 -17.287 2.916 1.00 2.72 C ATOM 618 NZ LYS A 40 -7.169 -18.072 4.182 1.00 3.29 N ATOM 0 H LYS A 40 -6.176 -13.049 1.353 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.453 -12.041 3.535 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.419 -14.022 4.625 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.706 -13.258 3.713 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.096 -14.854 1.763 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.078 -15.714 2.900 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.216 -15.761 4.445 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -8.100 -15.355 2.987 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.976 -17.537 2.272 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.226 -17.495 2.348 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -7.135 -19.088 3.962 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.351 -17.818 4.772 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.047 -17.859 4.698 1.00 3.29 H new ATOM 632 N ALA A 41 -3.308 -14.202 1.436 1.00 0.77 N ATOM 633 CA ALA A 41 -2.070 -14.962 1.093 1.00 0.86 C ATOM 634 C ALA A 41 -0.863 -14.019 1.070 1.00 0.75 C ATOM 635 O ALA A 41 0.269 -14.441 1.198 1.00 0.90 O ATOM 636 CB ALA A 41 -2.330 -15.534 -0.300 1.00 0.93 C ATOM 0 H ALA A 41 -4.005 -14.147 0.693 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.849 -15.744 1.819 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.463 -16.109 -0.625 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -3.205 -16.183 -0.269 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.508 -14.718 -1.001 1.00 0.93 H new ATOM 642 N LEU A 42 -1.096 -12.745 0.908 1.00 0.65 N ATOM 643 CA LEU A 42 0.037 -11.775 0.878 1.00 0.67 C ATOM 644 C LEU A 42 -0.009 -10.873 2.115 1.00 0.63 C ATOM 645 O LEU A 42 0.515 -9.778 2.118 1.00 0.70 O ATOM 646 CB LEU A 42 -0.180 -10.955 -0.393 1.00 0.82 C ATOM 647 CG LEU A 42 1.141 -10.304 -0.811 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.773 -11.113 -1.946 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.876 -8.875 -1.289 1.00 1.37 C ATOM 0 H LEU A 42 -2.022 -12.333 0.795 1.00 0.65 H new ATOM 0 HA LEU A 42 1.008 -12.270 0.882 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.551 -11.595 -1.193 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.937 -10.190 -0.220 1.00 0.82 H new ATOM 0 HG LEU A 42 1.821 -10.282 0.041 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.714 -10.649 -2.243 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.962 -12.131 -1.606 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.094 -11.136 -2.798 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.816 -8.411 -1.587 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.196 -8.896 -2.141 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.427 -8.298 -0.480 1.00 1.37 H new ATOM 661 N ALA A 43 -0.636 -11.329 3.164 1.00 0.71 N ATOM 662 CA ALA A 43 -0.721 -10.503 4.403 1.00 0.73 C ATOM 663 C ALA A 43 0.635 -10.459 5.121 1.00 0.67 C ATOM 664 O ALA A 43 1.155 -9.390 5.380 1.00 0.65 O ATOM 665 CB ALA A 43 -1.766 -11.202 5.273 1.00 0.88 C ATOM 0 H ALA A 43 -1.094 -12.239 3.218 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.991 -9.470 4.186 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.887 -10.654 6.207 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.718 -11.233 4.744 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.438 -12.219 5.489 1.00 0.88 H new ATOM 671 N PRO A 44 1.169 -11.618 5.432 1.00 0.69 N ATOM 672 CA PRO A 44 2.476 -11.680 6.135 1.00 0.70 C ATOM 673 C PRO A 44 3.626 -11.268 5.207 1.00 0.59 C ATOM 674 O PRO A 44 4.757 -11.138 5.632 1.00 0.65 O ATOM 675 CB PRO A 44 2.597 -13.144 6.544 1.00 0.83 C ATOM 676 CG PRO A 44 1.735 -13.888 5.574 1.00 0.84 C ATOM 677 CD PRO A 44 0.621 -12.959 5.170 1.00 0.76 C ATOM 0 HA PRO A 44 2.529 -10.999 6.984 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.632 -13.484 6.494 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.260 -13.297 7.569 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.313 -14.198 4.703 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.335 -14.794 6.030 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.356 -13.085 4.120 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.283 -13.142 5.751 1.00 0.76 H new ATOM 685 N GLU A 45 3.351 -11.050 3.949 1.00 0.53 N ATOM 686 CA GLU A 45 4.433 -10.633 3.015 1.00 0.46 C ATOM 687 C GLU A 45 4.387 -9.117 2.844 1.00 0.41 C ATOM 688 O GLU A 45 5.391 -8.470 2.629 1.00 0.47 O ATOM 689 CB GLU A 45 4.112 -11.342 1.699 1.00 0.48 C ATOM 690 CG GLU A 45 4.021 -12.850 1.940 1.00 0.61 C ATOM 691 CD GLU A 45 5.387 -13.384 2.377 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.723 -13.219 3.538 1.00 1.90 O ATOM 693 OE2 GLU A 45 6.074 -13.949 1.541 1.00 1.83 O ATOM 0 H GLU A 45 2.426 -11.143 3.530 1.00 0.53 H new ATOM 0 HA GLU A 45 5.430 -10.890 3.371 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.171 -10.970 1.294 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.884 -11.127 0.960 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.275 -13.062 2.706 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.696 -13.355 1.030 1.00 0.61 H new ATOM 700 N TYR A 46 3.222 -8.551 2.961 1.00 0.43 N ATOM 701 CA TYR A 46 3.089 -7.077 2.831 1.00 0.48 C ATOM 702 C TYR A 46 3.389 -6.420 4.194 1.00 0.52 C ATOM 703 O TYR A 46 3.635 -5.234 4.277 1.00 0.69 O ATOM 704 CB TYR A 46 1.625 -6.875 2.370 1.00 0.64 C ATOM 705 CG TYR A 46 1.021 -5.610 2.947 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.393 -5.651 4.196 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.094 -4.406 2.239 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.163 -4.489 4.740 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.537 -3.241 2.781 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.091 -3.282 4.032 1.00 1.50 C ATOM 711 OH TYR A 46 -0.638 -2.135 4.568 1.00 1.95 O ATOM 0 H TYR A 46 2.351 -9.049 3.142 1.00 0.43 H new ATOM 0 HA TYR A 46 3.783 -6.620 2.125 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.590 -6.830 1.281 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.027 -7.734 2.673 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.337 -6.582 4.741 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.580 -4.375 1.275 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.647 -4.522 5.705 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.592 -2.311 2.234 1.00 1.38 H new ATOM 0 HH TYR A 46 -1.048 -2.342 5.434 1.00 1.95 H new ATOM 721 N ALA A 47 3.368 -7.183 5.257 1.00 0.53 N ATOM 722 CA ALA A 47 3.648 -6.596 6.597 1.00 0.62 C ATOM 723 C ALA A 47 5.119 -6.792 6.982 1.00 0.58 C ATOM 724 O ALA A 47 5.593 -6.226 7.946 1.00 0.68 O ATOM 725 CB ALA A 47 2.737 -7.357 7.559 1.00 0.73 C ATOM 0 H ALA A 47 3.170 -8.183 5.253 1.00 0.53 H new ATOM 0 HA ALA A 47 3.463 -5.522 6.617 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.884 -6.982 8.572 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.697 -7.213 7.266 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.980 -8.419 7.526 1.00 0.73 H new ATOM 731 N LYS A 48 5.852 -7.587 6.244 1.00 0.51 N ATOM 732 CA LYS A 48 7.284 -7.799 6.588 1.00 0.55 C ATOM 733 C LYS A 48 8.156 -6.805 5.810 1.00 0.53 C ATOM 734 O LYS A 48 9.120 -6.274 6.327 1.00 0.65 O ATOM 735 CB LYS A 48 7.566 -9.248 6.173 1.00 0.60 C ATOM 736 CG LYS A 48 9.073 -9.521 6.186 1.00 1.03 C ATOM 737 CD LYS A 48 9.662 -9.123 4.834 1.00 1.41 C ATOM 738 CE LYS A 48 10.943 -8.315 5.049 1.00 1.92 C ATOM 739 NZ LYS A 48 11.731 -8.501 3.799 1.00 2.47 N ATOM 0 H LYS A 48 5.520 -8.094 5.424 1.00 0.51 H new ATOM 0 HA LYS A 48 7.504 -7.637 7.643 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.060 -9.933 6.853 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.165 -9.433 5.177 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.551 -8.956 6.986 1.00 1.03 H new ATOM 0 HG3 LYS A 48 9.263 -10.576 6.384 1.00 1.03 H new ATOM 0 HD2 LYS A 48 9.877 -10.014 4.243 1.00 1.41 H new ATOM 0 HD3 LYS A 48 8.939 -8.534 4.270 1.00 1.41 H new ATOM 0 HE2 LYS A 48 10.721 -7.262 5.222 1.00 1.92 H new ATOM 0 HE3 LYS A 48 11.493 -8.672 5.919 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 12.625 -7.975 3.871 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 11.933 -9.512 3.663 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 11.185 -8.146 2.988 1.00 2.47 H new ATOM 753 N ALA A 49 7.823 -6.548 4.575 1.00 0.47 N ATOM 754 CA ALA A 49 8.633 -5.587 3.771 1.00 0.50 C ATOM 755 C ALA A 49 8.615 -4.206 4.429 1.00 0.53 C ATOM 756 O ALA A 49 9.499 -3.399 4.226 1.00 0.65 O ATOM 757 CB ALA A 49 7.953 -5.541 2.402 1.00 0.55 C ATOM 0 H ALA A 49 7.027 -6.960 4.088 1.00 0.47 H new ATOM 0 HA ALA A 49 9.678 -5.889 3.694 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.492 -4.853 1.751 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.957 -6.537 1.960 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.924 -5.200 2.518 1.00 0.55 H new ATOM 763 N ALA A 50 7.616 -3.929 5.221 1.00 0.54 N ATOM 764 CA ALA A 50 7.549 -2.602 5.897 1.00 0.65 C ATOM 765 C ALA A 50 8.547 -2.546 7.060 1.00 0.65 C ATOM 766 O ALA A 50 8.831 -1.493 7.594 1.00 0.77 O ATOM 767 CB ALA A 50 6.115 -2.496 6.416 1.00 0.76 C ATOM 0 H ALA A 50 6.844 -4.563 5.429 1.00 0.54 H new ATOM 0 HA ALA A 50 7.802 -1.783 5.224 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.983 -1.543 6.929 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.420 -2.557 5.579 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.918 -3.312 7.111 1.00 0.76 H new ATOM 773 N GLY A 51 9.079 -3.672 7.461 1.00 0.59 N ATOM 774 CA GLY A 51 10.050 -3.676 8.590 1.00 0.69 C ATOM 775 C GLY A 51 11.452 -3.339 8.073 1.00 0.78 C ATOM 776 O GLY A 51 12.307 -2.907 8.819 1.00 0.90 O ATOM 0 H GLY A 51 8.882 -4.586 7.054 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.747 -2.950 9.344 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.056 -4.653 9.072 1.00 0.69 H new ATOM 780 N LYS A 52 11.700 -3.537 6.806 1.00 0.80 N ATOM 781 CA LYS A 52 13.055 -3.228 6.261 1.00 1.01 C ATOM 782 C LYS A 52 13.423 -1.767 6.545 1.00 1.12 C ATOM 783 O LYS A 52 14.581 -1.424 6.684 1.00 1.31 O ATOM 784 CB LYS A 52 12.952 -3.482 4.753 1.00 1.15 C ATOM 785 CG LYS A 52 12.000 -2.467 4.114 1.00 1.49 C ATOM 786 CD LYS A 52 12.798 -1.250 3.640 1.00 1.97 C ATOM 787 CE LYS A 52 12.812 -1.212 2.111 1.00 2.64 C ATOM 788 NZ LYS A 52 14.026 -1.982 1.718 1.00 3.08 N ATOM 0 H LYS A 52 11.028 -3.897 6.128 1.00 0.80 H new ATOM 0 HA LYS A 52 13.831 -3.841 6.719 1.00 1.01 H new ATOM 0 HB2 LYS A 52 13.938 -3.406 4.295 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.593 -4.495 4.570 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.476 -2.922 3.273 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.241 -2.160 4.834 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.354 -0.335 4.033 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.818 -1.299 4.022 1.00 1.97 H new ATOM 0 HE2 LYS A 52 11.909 -1.660 1.697 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.858 -0.187 1.742 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.123 -1.972 0.683 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.867 -1.548 2.149 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.936 -2.964 2.048 1.00 3.08 H new ATOM 802 N LEU A 53 12.447 -0.905 6.632 1.00 1.12 N ATOM 803 CA LEU A 53 12.743 0.531 6.906 1.00 1.33 C ATOM 804 C LEU A 53 12.838 0.774 8.415 1.00 1.30 C ATOM 805 O LEU A 53 13.453 1.722 8.862 1.00 1.50 O ATOM 806 CB LEU A 53 11.563 1.300 6.309 1.00 1.55 C ATOM 807 CG LEU A 53 10.271 0.900 7.026 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.848 2.021 7.975 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.167 0.660 5.995 1.00 1.82 C ATOM 0 H LEU A 53 11.458 -1.132 6.525 1.00 1.12 H new ATOM 0 HA LEU A 53 13.693 0.846 6.475 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.728 2.373 6.408 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.480 1.087 5.243 1.00 1.55 H new ATOM 0 HG LEU A 53 10.440 -0.014 7.595 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.928 1.737 8.486 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.634 2.191 8.711 1.00 2.07 H new ATOM 0 HD13 LEU A 53 9.680 2.935 7.406 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.247 0.375 6.506 1.00 1.82 H new ATOM 0 HD22 LEU A 53 8.997 1.573 5.425 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.469 -0.140 5.318 1.00 1.82 H new ATOM 821 N LYS A 54 12.236 -0.075 9.203 1.00 1.20 N ATOM 822 CA LYS A 54 12.297 0.111 10.682 1.00 1.35 C ATOM 823 C LYS A 54 13.754 0.174 11.144 1.00 1.40 C ATOM 824 O LYS A 54 14.086 0.855 12.094 1.00 1.67 O ATOM 825 CB LYS A 54 11.602 -1.121 11.266 1.00 1.46 C ATOM 826 CG LYS A 54 11.355 -0.906 12.761 1.00 1.91 C ATOM 827 CD LYS A 54 9.861 -1.051 13.059 1.00 2.50 C ATOM 828 CE LYS A 54 9.674 -1.687 14.438 1.00 2.87 C ATOM 829 NZ LYS A 54 8.253 -1.420 14.796 1.00 3.88 N ATOM 0 H LYS A 54 11.706 -0.887 8.888 1.00 1.20 H new ATOM 0 HA LYS A 54 11.820 1.037 11.003 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.657 -1.297 10.752 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.218 -2.007 11.112 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.924 -1.631 13.342 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.701 0.084 13.059 1.00 1.91 H new ATOM 0 HD2 LYS A 54 9.377 -0.075 13.029 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.385 -1.667 12.296 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.880 -2.757 14.410 1.00 2.87 H new ATOM 0 HE3 LYS A 54 10.354 -1.251 15.169 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 8.048 -1.827 15.731 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.088 -0.393 14.821 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.629 -1.853 14.086 1.00 3.88 H new ATOM 843 N ALA A 55 14.628 -0.530 10.478 1.00 1.63 N ATOM 844 CA ALA A 55 16.064 -0.509 10.879 1.00 2.20 C ATOM 845 C ALA A 55 16.896 0.296 9.873 1.00 2.03 C ATOM 846 O ALA A 55 18.111 0.267 9.900 1.00 2.38 O ATOM 847 CB ALA A 55 16.494 -1.976 10.876 1.00 2.78 C ATOM 0 H ALA A 55 14.410 -1.119 9.674 1.00 1.63 H new ATOM 0 HA ALA A 55 16.210 -0.038 11.851 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.543 -2.048 11.162 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.885 -2.535 11.587 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.360 -2.392 9.878 1.00 2.78 H new ATOM 853 N GLU A 56 16.259 1.014 8.987 1.00 1.67 N ATOM 854 CA GLU A 56 17.024 1.815 7.988 1.00 1.70 C ATOM 855 C GLU A 56 16.555 3.272 8.006 1.00 1.53 C ATOM 856 O GLU A 56 17.338 4.189 7.857 1.00 1.98 O ATOM 857 CB GLU A 56 16.715 1.170 6.638 1.00 1.99 C ATOM 858 CG GLU A 56 17.628 -0.040 6.429 1.00 2.69 C ATOM 859 CD GLU A 56 18.921 0.407 5.744 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.833 0.991 4.677 1.00 3.63 O ATOM 861 OE2 GLU A 56 19.979 0.157 6.299 1.00 3.64 O ATOM 0 H GLU A 56 15.244 1.080 8.912 1.00 1.67 H new ATOM 0 HA GLU A 56 18.093 1.823 8.200 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.670 0.861 6.601 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.862 1.893 5.836 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.855 -0.507 7.387 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.122 -0.790 5.820 1.00 2.69 H new ATOM 868 N GLY A 57 15.284 3.489 8.185 1.00 1.58 N ATOM 869 CA GLY A 57 14.760 4.884 8.210 1.00 2.25 C ATOM 870 C GLY A 57 14.486 5.351 6.779 1.00 1.97 C ATOM 871 O GLY A 57 14.677 6.504 6.445 1.00 2.50 O ATOM 0 H GLY A 57 14.583 2.760 8.316 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.845 4.930 8.800 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.481 5.546 8.688 1.00 2.25 H new ATOM 875 N SER A 58 14.041 4.465 5.931 1.00 1.30 N ATOM 876 CA SER A 58 13.755 4.859 4.521 1.00 1.23 C ATOM 877 C SER A 58 12.607 5.871 4.477 1.00 1.03 C ATOM 878 O SER A 58 11.974 6.151 5.476 1.00 1.27 O ATOM 879 CB SER A 58 13.353 3.560 3.822 1.00 1.53 C ATOM 880 OG SER A 58 13.941 3.515 2.530 1.00 2.13 O ATOM 0 H SER A 58 13.863 3.485 6.153 1.00 1.30 H new ATOM 0 HA SER A 58 14.612 5.332 4.041 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.678 2.702 4.411 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.268 3.499 3.741 1.00 1.53 H new ATOM 0 HG SER A 58 13.685 2.682 2.083 1.00 2.13 H new ATOM 886 N GLU A 59 12.335 6.423 3.327 1.00 0.85 N ATOM 887 CA GLU A 59 11.228 7.418 3.221 1.00 0.87 C ATOM 888 C GLU A 59 10.025 6.800 2.502 1.00 0.76 C ATOM 889 O GLU A 59 9.366 7.444 1.710 1.00 1.06 O ATOM 890 CB GLU A 59 11.806 8.572 2.403 1.00 1.10 C ATOM 891 CG GLU A 59 12.213 8.062 1.019 1.00 1.05 C ATOM 892 CD GLU A 59 10.983 7.516 0.293 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.313 8.295 -0.365 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.732 6.326 0.406 1.00 2.13 O ATOM 0 H GLU A 59 12.830 6.229 2.456 1.00 0.85 H new ATOM 0 HA GLU A 59 10.877 7.748 4.199 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.068 9.369 2.306 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.670 8.997 2.914 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.661 8.869 0.440 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.968 7.281 1.115 1.00 1.05 H new ATOM 901 N ILE A 60 9.731 5.559 2.776 1.00 0.59 N ATOM 902 CA ILE A 60 8.564 4.905 2.112 1.00 0.57 C ATOM 903 C ILE A 60 7.702 4.187 3.154 1.00 0.52 C ATOM 904 O ILE A 60 8.188 3.743 4.175 1.00 0.63 O ATOM 905 CB ILE A 60 9.148 3.908 1.097 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.261 3.062 1.734 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.724 4.674 -0.093 1.00 1.34 C ATOM 908 CD1 ILE A 60 9.651 2.059 2.713 1.00 1.60 C ATOM 0 H ILE A 60 10.246 4.969 3.429 1.00 0.59 H new ATOM 0 HA ILE A 60 7.923 5.633 1.614 1.00 0.57 H new ATOM 0 HB ILE A 60 8.348 3.244 0.769 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.819 2.535 0.960 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.969 3.707 2.254 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.138 3.969 -0.813 1.00 1.34 H new ATOM 0 HG22 ILE A 60 8.934 5.256 -0.568 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.511 5.344 0.252 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.444 1.461 3.162 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.113 2.595 3.495 1.00 1.60 H new ATOM 0 HD13 ILE A 60 8.961 1.405 2.181 1.00 1.60 H new ATOM 920 N ARG A 61 6.424 4.082 2.914 1.00 0.45 N ATOM 921 CA ARG A 61 5.541 3.401 3.906 1.00 0.45 C ATOM 922 C ARG A 61 4.520 2.502 3.201 1.00 0.41 C ATOM 923 O ARG A 61 4.259 2.642 2.022 1.00 0.55 O ATOM 924 CB ARG A 61 4.833 4.537 4.645 1.00 0.51 C ATOM 925 CG ARG A 61 4.729 4.193 6.132 1.00 0.75 C ATOM 926 CD ARG A 61 5.982 4.688 6.858 1.00 0.97 C ATOM 927 NE ARG A 61 5.530 4.989 8.246 1.00 1.30 N ATOM 928 CZ ARG A 61 6.120 5.928 8.935 1.00 1.66 C ATOM 929 NH1 ARG A 61 7.403 6.125 8.804 1.00 2.19 N ATOM 930 NH2 ARG A 61 5.426 6.671 9.754 1.00 2.21 N ATOM 0 H ARG A 61 5.954 4.435 2.080 1.00 0.45 H new ATOM 0 HA ARG A 61 6.106 2.757 4.580 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.383 5.469 4.514 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.839 4.693 4.227 1.00 0.51 H new ATOM 0 HG2 ARG A 61 3.840 4.655 6.562 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.623 3.116 6.261 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.766 3.931 6.854 1.00 0.97 H new ATOM 0 HD3 ARG A 61 6.393 5.575 6.376 1.00 0.97 H new ATOM 0 HE ARG A 61 4.760 4.462 8.657 1.00 1.30 H new ATOM 0 HH11 ARG A 61 7.945 5.545 8.163 1.00 2.19 H new ATOM 0 HH12 ARG A 61 7.864 6.859 9.342 1.00 2.19 H new ATOM 0 HH21 ARG A 61 4.423 6.518 9.856 1.00 2.21 H new ATOM 0 HH22 ARG A 61 5.887 7.405 10.292 1.00 2.21 H new ATOM 944 N LEU A 62 3.939 1.582 3.924 1.00 0.35 N ATOM 945 CA LEU A 62 2.931 0.669 3.312 1.00 0.36 C ATOM 946 C LEU A 62 1.574 0.856 4.001 1.00 0.32 C ATOM 947 O LEU A 62 1.503 1.249 5.148 1.00 0.38 O ATOM 948 CB LEU A 62 3.471 -0.740 3.562 1.00 0.48 C ATOM 949 CG LEU A 62 4.091 -1.290 2.277 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.217 -0.363 1.813 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.659 -2.686 2.542 1.00 1.22 C ATOM 0 H LEU A 62 4.120 1.423 4.915 1.00 0.35 H new ATOM 0 HA LEU A 62 2.782 0.863 2.250 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.217 -0.718 4.357 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.666 -1.394 3.898 1.00 0.48 H new ATOM 0 HG LEU A 62 3.326 -1.348 1.502 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.658 -0.756 0.897 1.00 1.59 H new ATOM 0 HD12 LEU A 62 4.814 0.632 1.624 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.982 -0.304 2.587 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.101 -3.079 1.626 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.423 -2.627 3.317 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.858 -3.348 2.871 1.00 1.22 H new ATOM 963 N ALA A 63 0.496 0.579 3.315 1.00 0.30 N ATOM 964 CA ALA A 63 -0.845 0.748 3.944 1.00 0.32 C ATOM 965 C ALA A 63 -1.877 -0.162 3.264 1.00 0.31 C ATOM 966 O ALA A 63 -1.685 -0.608 2.149 1.00 0.37 O ATOM 967 CB ALA A 63 -1.201 2.219 3.723 1.00 0.37 C ATOM 0 H ALA A 63 0.487 0.245 2.351 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.839 0.481 5.001 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.178 2.426 4.159 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.451 2.850 4.199 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.228 2.430 2.654 1.00 0.37 H new ATOM 973 N LYS A 64 -2.969 -0.441 3.925 1.00 0.30 N ATOM 974 CA LYS A 64 -4.009 -1.322 3.315 1.00 0.32 C ATOM 975 C LYS A 64 -5.408 -0.746 3.569 1.00 0.32 C ATOM 976 O LYS A 64 -5.597 0.076 4.442 1.00 0.40 O ATOM 977 CB LYS A 64 -3.840 -2.671 4.017 1.00 0.38 C ATOM 978 CG LYS A 64 -4.129 -2.512 5.511 1.00 1.39 C ATOM 979 CD LYS A 64 -3.614 -3.740 6.266 1.00 1.60 C ATOM 980 CE LYS A 64 -4.264 -3.800 7.649 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.525 -4.871 8.375 1.00 2.26 N ATOM 0 H LYS A 64 -3.186 -0.097 4.860 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.899 -1.410 2.234 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.517 -3.406 3.582 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.827 -3.044 3.870 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.648 -1.611 5.891 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.200 -2.395 5.674 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -3.843 -4.647 5.706 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.530 -3.691 6.364 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.182 -2.844 8.166 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -5.326 -4.033 7.576 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.903 -4.961 9.340 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.641 -5.774 7.873 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.515 -4.627 8.420 1.00 2.26 H new ATOM 995 N VAL A 65 -6.391 -1.171 2.816 1.00 0.30 N ATOM 996 CA VAL A 65 -7.767 -0.638 3.028 1.00 0.32 C ATOM 997 C VAL A 65 -8.781 -1.781 3.068 1.00 0.31 C ATOM 998 O VAL A 65 -8.549 -2.853 2.546 1.00 0.36 O ATOM 999 CB VAL A 65 -8.041 0.268 1.826 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.482 0.792 1.896 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.067 1.447 1.845 1.00 0.70 C ATOM 0 H VAL A 65 -6.300 -1.859 2.069 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.851 -0.100 3.972 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.907 -0.300 0.905 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.676 1.437 1.039 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.176 -0.049 1.882 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.618 1.360 2.816 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.261 2.093 0.989 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.201 2.015 2.766 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.044 1.075 1.794 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.910 -1.553 3.679 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.949 -2.616 3.750 1.00 0.39 C ATOM 1013 C ASP A 66 -12.103 -2.277 2.801 1.00 0.40 C ATOM 1014 O ASP A 66 -13.020 -1.564 3.155 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.424 -2.608 5.203 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.733 -3.737 5.972 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.527 -3.866 5.837 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -11.420 -4.451 6.682 1.00 1.38 O ATOM 0 H ASP A 66 -10.158 -0.674 4.133 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.569 -3.594 3.455 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.198 -1.647 5.665 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.506 -2.735 5.244 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.063 -2.783 1.597 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.156 -2.491 0.621 1.00 0.46 C ATOM 1025 C ALA A 67 -14.524 -2.736 1.262 1.00 0.51 C ATOM 1026 O ALA A 67 -15.517 -2.151 0.876 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.925 -3.468 -0.531 1.00 0.51 C ATOM 0 H ALA A 67 -11.320 -3.387 1.246 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.144 -1.453 0.289 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.689 -3.318 -1.294 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.940 -3.293 -0.964 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.981 -4.491 -0.158 1.00 0.51 H new ATOM 1033 N THR A 68 -14.584 -3.596 2.241 1.00 0.53 N ATOM 1034 CA THR A 68 -15.887 -3.876 2.909 1.00 0.62 C ATOM 1035 C THR A 68 -16.212 -2.784 3.938 1.00 0.64 C ATOM 1036 O THR A 68 -17.250 -2.811 4.569 1.00 0.86 O ATOM 1037 CB THR A 68 -15.691 -5.224 3.604 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.386 -5.280 4.160 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.864 -6.355 2.589 1.00 1.35 C ATOM 0 H THR A 68 -13.787 -4.117 2.608 1.00 0.53 H new ATOM 0 HA THR A 68 -16.715 -3.894 2.200 1.00 0.62 H new ATOM 0 HB THR A 68 -16.431 -5.336 4.397 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.446 -5.500 5.113 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.724 -7.315 3.086 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.866 -6.310 2.162 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.126 -6.247 1.794 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.341 -1.823 4.115 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.618 -0.743 5.102 1.00 0.61 C ATOM 1049 C GLU A 69 -15.516 0.626 4.424 1.00 0.57 C ATOM 1050 O GLU A 69 -16.404 1.447 4.533 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.539 -0.895 6.174 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.080 -0.385 7.512 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.639 1.065 7.721 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -15.160 1.928 7.033 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.789 1.288 8.568 1.00 2.22 O ATOM 0 H GLU A 69 -14.453 -1.742 3.619 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.620 -0.816 5.525 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.243 -1.940 6.263 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.648 -0.334 5.891 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.168 -0.451 7.525 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.713 -1.009 8.327 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.441 0.880 3.724 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.299 2.199 3.048 1.00 0.57 C ATOM 1064 C GLU A 70 -14.034 2.006 1.552 1.00 0.72 C ATOM 1065 O GLU A 70 -13.022 2.429 1.030 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.103 2.861 3.731 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.850 2.016 3.498 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.299 1.540 4.844 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.098 1.215 5.707 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.088 1.508 4.990 1.00 1.89 O ATOM 0 H GLU A 70 -13.662 0.235 3.593 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.201 2.806 3.128 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.955 3.866 3.336 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.292 2.963 4.800 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.088 1.160 2.867 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.097 2.601 2.971 1.00 1.05 H new ATOM 1077 N SER A 71 -14.941 1.372 0.860 1.00 0.55 N ATOM 1078 CA SER A 71 -14.750 1.152 -0.603 1.00 0.66 C ATOM 1079 C SER A 71 -14.856 2.479 -1.368 1.00 0.70 C ATOM 1080 O SER A 71 -14.582 2.543 -2.550 1.00 0.94 O ATOM 1081 CB SER A 71 -15.882 0.211 -1.009 1.00 0.79 C ATOM 1082 OG SER A 71 -15.400 -0.710 -1.980 1.00 1.48 O ATOM 0 H SER A 71 -15.808 0.996 1.245 1.00 0.55 H new ATOM 0 HA SER A 71 -13.768 0.738 -0.830 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.256 -0.325 -0.137 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.717 0.782 -1.415 1.00 0.79 H new ATOM 0 HG SER A 71 -16.123 -1.317 -2.242 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.250 3.539 -0.709 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.368 4.852 -1.410 1.00 0.71 C ATOM 1090 C ASP A 72 -14.082 5.159 -2.182 1.00 0.68 C ATOM 1091 O ASP A 72 -14.099 5.820 -3.201 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.586 5.877 -0.296 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.699 6.844 -0.704 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -16.517 7.547 -1.685 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.714 6.867 -0.027 1.00 1.57 O ATOM 0 H ASP A 72 -15.494 3.552 0.281 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.181 4.861 -2.136 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.852 5.371 0.632 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.664 6.426 -0.107 1.00 0.78 H new ATOM 1100 N LEU A 73 -12.968 4.678 -1.704 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.682 4.933 -2.411 1.00 0.68 C ATOM 1102 C LEU A 73 -11.535 3.968 -3.585 1.00 0.60 C ATOM 1103 O LEU A 73 -11.296 4.366 -4.707 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.599 4.673 -1.366 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.823 5.585 -0.160 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.839 4.744 1.117 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -9.691 6.612 -0.080 1.00 0.97 C ATOM 0 H LEU A 73 -12.893 4.119 -0.854 1.00 0.63 H new ATOM 0 HA LEU A 73 -11.622 5.943 -2.816 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.623 3.629 -1.055 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.614 4.855 -1.795 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.776 6.103 -0.267 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.999 5.393 1.978 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.644 4.012 1.060 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -9.885 4.227 1.224 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -9.850 7.263 0.780 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -8.738 6.095 0.028 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.678 7.211 -0.991 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.683 2.700 -3.330 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.560 1.696 -4.423 1.00 0.56 C ATOM 1121 C ALA A 74 -12.563 2.011 -5.535 1.00 0.59 C ATOM 1122 O ALA A 74 -12.225 2.023 -6.702 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.883 0.355 -3.765 1.00 0.60 C ATOM 0 H ALA A 74 -11.885 2.313 -2.408 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.570 1.693 -4.879 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.814 -0.440 -4.507 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.172 0.164 -2.961 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.893 0.384 -3.357 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.790 2.276 -5.183 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.803 2.603 -6.226 1.00 0.76 C ATOM 1131 C GLN A 75 -14.382 3.874 -6.966 1.00 0.78 C ATOM 1132 O GLN A 75 -14.757 4.100 -8.099 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.107 2.831 -5.459 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.244 3.088 -6.450 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.788 1.751 -6.960 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -17.046 0.932 -7.464 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.064 1.495 -6.850 1.00 2.40 N ATOM 0 H GLN A 75 -14.135 2.281 -4.223 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.909 1.814 -6.970 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.336 1.961 -4.844 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.000 3.680 -4.784 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.039 3.656 -5.968 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.884 3.689 -7.285 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.687 2.182 -6.427 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.437 0.608 -7.187 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.597 4.700 -6.330 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.140 5.955 -6.989 1.00 0.84 C ATOM 1148 C GLN A 76 -12.219 5.624 -8.160 1.00 0.83 C ATOM 1149 O GLN A 76 -12.367 6.142 -9.249 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.373 6.712 -5.907 1.00 0.89 C ATOM 1151 CG GLN A 76 -12.938 8.129 -5.778 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.566 8.706 -4.410 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.297 8.549 -3.453 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -11.452 9.372 -4.278 1.00 1.97 N ATOM 0 H GLN A 76 -13.252 4.559 -5.381 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.969 6.540 -7.387 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.455 6.188 -4.955 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.313 6.753 -6.159 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.542 8.763 -6.571 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.022 8.112 -5.894 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -10.838 9.504 -5.082 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -11.195 9.761 -3.371 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.271 4.759 -7.944 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.339 4.387 -9.044 1.00 0.81 C ATOM 1165 C TYR A 77 -11.056 3.489 -10.049 1.00 0.83 C ATOM 1166 O TYR A 77 -10.922 3.644 -11.247 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.197 3.633 -8.361 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.225 4.625 -7.768 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.570 5.542 -8.598 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -7.982 4.628 -6.389 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -6.670 6.464 -8.049 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.081 5.550 -5.840 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.425 6.467 -6.670 1.00 1.05 C ATOM 1174 OH TYR A 77 -5.538 7.375 -6.129 1.00 1.22 O ATOM 0 H TYR A 77 -11.100 4.292 -7.053 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.975 5.255 -9.594 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.592 2.983 -7.580 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.687 2.993 -9.081 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.759 5.539 -9.661 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.488 3.920 -5.749 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.165 7.173 -8.689 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -6.893 5.553 -4.777 1.00 1.19 H new ATOM 0 HH TYR A 77 -4.854 6.897 -5.615 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.817 2.548 -9.568 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.545 1.632 -10.490 1.00 0.87 C ATOM 1186 C GLY A 78 -12.003 0.221 -10.300 1.00 0.88 C ATOM 1187 O GLY A 78 -11.653 -0.459 -11.244 1.00 1.52 O ATOM 0 H GLY A 78 -11.967 2.373 -8.574 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.615 1.658 -10.282 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.413 1.952 -11.524 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.920 -0.216 -9.077 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.386 -1.579 -8.806 1.00 0.79 C ATOM 1193 C VAL A 79 -12.509 -2.519 -8.356 1.00 1.13 C ATOM 1194 O VAL A 79 -13.137 -2.318 -7.336 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.349 -1.377 -7.696 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.980 -0.656 -6.501 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -9.818 -2.731 -7.239 1.00 1.30 C ATOM 0 H VAL A 79 -12.199 0.312 -8.250 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.947 -2.038 -9.691 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.532 -0.771 -8.088 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.231 -0.520 -5.721 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -11.353 0.317 -6.819 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.805 -1.252 -6.111 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -9.081 -2.585 -6.450 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -10.642 -3.335 -6.859 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -9.351 -3.242 -8.081 1.00 1.30 H new ATOM 1207 N ARG A 80 -12.765 -3.545 -9.119 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.840 -4.504 -8.754 1.00 1.72 C ATOM 1209 C ARG A 80 -13.257 -5.910 -8.571 1.00 1.38 C ATOM 1210 O ARG A 80 -13.932 -6.901 -8.768 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.803 -4.473 -9.941 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.037 -4.743 -11.242 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.030 -5.017 -12.374 1.00 3.49 C ATOM 1214 NE ARG A 80 -14.696 -4.020 -13.428 1.00 4.06 N ATOM 1215 CZ ARG A 80 -14.008 -4.384 -14.475 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -14.442 -5.350 -15.239 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -12.887 -3.780 -14.763 1.00 5.25 N ATOM 0 H ARG A 80 -12.271 -3.760 -9.985 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.332 -4.243 -7.817 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -15.584 -5.221 -9.807 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -15.297 -3.503 -9.994 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -13.412 -3.886 -11.492 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.371 -5.597 -11.114 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -14.931 -6.036 -12.748 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -16.059 -4.902 -12.033 1.00 3.49 H new ATOM 0 HE ARG A 80 -15.005 -3.053 -13.332 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.319 -5.820 -15.017 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -13.904 -5.634 -16.057 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -12.548 -3.023 -14.169 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -12.350 -4.065 -15.582 1.00 5.25 H new ATOM 1231 N GLY A 81 -12.009 -6.005 -8.197 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.389 -7.349 -8.007 1.00 0.81 C ATOM 1233 C GLY A 81 -10.170 -7.228 -7.087 1.00 0.74 C ATOM 1234 O GLY A 81 -9.113 -6.789 -7.494 1.00 1.17 O ATOM 0 H GLY A 81 -11.393 -5.212 -8.015 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.115 -8.038 -7.576 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.090 -7.762 -8.970 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.311 -7.615 -5.848 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.164 -7.526 -4.896 1.00 0.52 C ATOM 1240 C TYR A 82 -8.296 -8.792 -5.013 1.00 0.54 C ATOM 1241 O TYR A 82 -8.757 -9.795 -5.521 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.807 -7.433 -3.501 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.894 -6.377 -3.496 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.684 -5.151 -4.139 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.113 -6.633 -2.857 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.694 -4.181 -4.142 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.122 -5.663 -2.860 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.913 -4.437 -3.503 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.909 -3.482 -3.510 1.00 0.85 O ATOM 0 H TYR A 82 -11.173 -7.990 -5.452 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.517 -6.672 -5.097 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.227 -8.399 -3.221 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.048 -7.188 -2.758 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.744 -4.954 -4.632 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.275 -7.579 -2.362 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.532 -3.235 -4.637 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.062 -5.860 -2.366 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.538 -2.621 -3.225 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.058 -8.725 -4.552 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.493 -7.497 -3.931 1.00 0.51 C ATOM 1261 C PRO A 83 -5.924 -6.557 -4.997 1.00 0.51 C ATOM 1262 O PRO A 83 -5.086 -6.936 -5.791 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.373 -8.033 -3.048 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.961 -9.339 -3.665 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.077 -9.814 -4.567 1.00 0.64 C ATOM 0 HA PRO A 83 -7.238 -6.920 -3.383 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.536 -7.336 -3.011 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.716 -8.175 -2.023 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.040 -9.215 -4.234 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.760 -10.078 -2.889 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.715 -10.007 -5.577 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.512 -10.744 -4.202 1.00 0.64 H new ATOM 1273 N THR A 84 -6.361 -5.327 -5.010 1.00 0.45 N ATOM 1274 CA THR A 84 -5.836 -4.358 -6.012 1.00 0.45 C ATOM 1275 C THR A 84 -4.948 -3.328 -5.310 1.00 0.43 C ATOM 1276 O THR A 84 -5.428 -2.457 -4.613 1.00 0.52 O ATOM 1277 CB THR A 84 -7.077 -3.690 -6.597 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.026 -4.689 -6.944 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.692 -2.888 -7.842 1.00 0.56 C ATOM 0 H THR A 84 -7.060 -4.952 -4.369 1.00 0.45 H new ATOM 0 HA THR A 84 -5.231 -4.833 -6.784 1.00 0.45 H new ATOM 0 HB THR A 84 -7.511 -3.015 -5.859 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.565 -5.541 -7.090 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.580 -2.412 -8.257 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.964 -2.123 -7.571 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.257 -3.556 -8.585 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.659 -3.429 -5.474 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.750 -2.461 -4.796 1.00 0.41 C ATOM 1289 C ILE A 85 -2.283 -1.368 -5.762 1.00 0.41 C ATOM 1290 O ILE A 85 -2.243 -1.553 -6.962 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.567 -3.304 -4.309 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -0.652 -2.437 -3.440 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.777 -3.835 -5.508 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.163 -3.255 -2.243 1.00 1.27 C ATOM 0 H ILE A 85 -3.196 -4.136 -6.045 1.00 0.41 H new ATOM 0 HA ILE A 85 -3.249 -1.943 -3.977 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.940 -4.146 -3.726 1.00 0.50 H new ATOM 0 HG12 ILE A 85 0.197 -2.085 -4.025 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -1.189 -1.554 -3.096 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.063 -4.433 -5.154 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -1.427 -4.453 -6.128 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.403 -2.998 -6.097 1.00 0.80 H new ATOM 0 HD11 ILE A 85 0.489 -2.639 -1.623 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.019 -3.585 -1.654 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.390 -4.125 -2.598 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.921 -0.233 -5.232 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.442 0.885 -6.092 1.00 0.40 C ATOM 1308 C LYS A 86 -0.371 1.682 -5.345 1.00 0.38 C ATOM 1309 O LYS A 86 -0.499 1.959 -4.170 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.675 1.753 -6.345 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.018 1.728 -7.836 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.190 0.773 -8.071 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.490 1.572 -8.156 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.746 2.031 -6.760 1.00 1.73 N ATOM 0 H LYS A 86 -1.937 -0.031 -4.232 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.999 0.535 -7.024 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.518 1.385 -5.761 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.485 2.776 -6.021 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.277 2.730 -8.178 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.152 1.408 -8.415 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.036 0.211 -8.992 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.249 0.047 -7.260 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.392 2.416 -8.838 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.309 0.956 -8.527 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.718 2.393 -6.686 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.623 1.233 -6.104 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.076 2.787 -6.515 1.00 1.73 H new ATOM 1328 N PHE A 87 0.686 2.048 -6.012 1.00 0.37 N ATOM 1329 CA PHE A 87 1.761 2.820 -5.328 1.00 0.36 C ATOM 1330 C PHE A 87 1.519 4.326 -5.492 1.00 0.33 C ATOM 1331 O PHE A 87 1.511 4.846 -6.590 1.00 0.37 O ATOM 1332 CB PHE A 87 3.057 2.389 -6.028 1.00 0.42 C ATOM 1333 CG PHE A 87 4.213 3.267 -5.594 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.328 3.678 -4.258 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.170 3.671 -6.532 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.398 4.489 -3.865 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.240 4.483 -6.139 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.354 4.892 -4.806 1.00 0.72 C ATOM 0 H PHE A 87 0.853 1.847 -6.998 1.00 0.37 H new ATOM 0 HA PHE A 87 1.798 2.628 -4.256 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.275 1.347 -5.792 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.931 2.451 -7.109 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.590 3.368 -3.532 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.083 3.355 -7.561 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.487 4.804 -2.836 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.977 4.794 -6.864 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.179 5.519 -4.502 1.00 0.72 H new ATOM 1348 N PHE A 88 1.324 5.026 -4.408 1.00 0.33 N ATOM 1349 CA PHE A 88 1.085 6.492 -4.499 1.00 0.35 C ATOM 1350 C PHE A 88 2.351 7.254 -4.098 1.00 0.42 C ATOM 1351 O PHE A 88 3.228 6.719 -3.450 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.045 6.762 -3.507 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.348 6.271 -4.088 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.815 6.793 -5.300 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.089 5.292 -3.417 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.023 6.336 -5.840 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.297 4.834 -3.956 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.763 5.357 -5.168 1.00 0.62 C ATOM 0 H PHE A 88 1.320 4.644 -3.462 1.00 0.33 H new ATOM 0 HA PHE A 88 0.828 6.814 -5.508 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.158 6.258 -2.562 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.109 7.829 -3.292 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.243 7.548 -5.819 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.728 4.889 -2.482 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.384 6.739 -6.775 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.869 4.078 -3.438 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.695 5.004 -5.585 1.00 0.62 H new ATOM 1368 N ARG A 89 2.454 8.497 -4.479 1.00 0.47 N ATOM 1369 CA ARG A 89 3.668 9.284 -4.118 1.00 0.55 C ATOM 1370 C ARG A 89 3.361 10.785 -4.128 1.00 0.64 C ATOM 1371 O ARG A 89 2.789 11.308 -5.064 1.00 1.05 O ATOM 1372 CB ARG A 89 4.695 8.941 -5.197 1.00 0.73 C ATOM 1373 CG ARG A 89 4.144 9.335 -6.569 1.00 1.15 C ATOM 1374 CD ARG A 89 4.854 10.599 -7.061 1.00 1.42 C ATOM 1375 NE ARG A 89 5.628 10.162 -8.258 1.00 1.73 N ATOM 1376 CZ ARG A 89 5.417 10.732 -9.414 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.868 11.936 -9.640 1.00 2.43 N ATOM 1378 NH2 ARG A 89 4.757 10.097 -10.343 1.00 2.56 N ATOM 0 H ARG A 89 1.753 9.001 -5.023 1.00 0.47 H new ATOM 0 HA ARG A 89 4.027 9.045 -3.117 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.630 9.467 -5.004 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.918 7.874 -5.176 1.00 0.73 H new ATOM 0 HG2 ARG A 89 4.293 8.522 -7.279 1.00 1.15 H new ATOM 0 HG3 ARG A 89 3.070 9.510 -6.505 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.138 11.380 -7.317 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.511 11.008 -6.293 1.00 1.42 H new ATOM 0 HE ARG A 89 6.321 9.419 -8.174 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.385 12.432 -8.914 1.00 2.43 H new ATOM 0 HH12 ARG A 89 5.703 12.381 -10.543 1.00 2.43 H new ATOM 0 HH21 ARG A 89 4.406 9.156 -10.166 1.00 2.56 H new ATOM 0 HH22 ARG A 89 4.592 10.542 -11.246 1.00 2.56 H new ATOM 1392 N ASN A 90 3.749 11.480 -3.093 1.00 0.57 N ATOM 1393 CA ASN A 90 3.499 12.951 -3.028 1.00 0.68 C ATOM 1394 C ASN A 90 2.050 13.284 -3.406 1.00 0.69 C ATOM 1395 O ASN A 90 1.798 14.103 -4.267 1.00 0.98 O ATOM 1396 CB ASN A 90 4.469 13.553 -4.044 1.00 0.87 C ATOM 1397 CG ASN A 90 4.539 15.069 -3.846 1.00 1.10 C ATOM 1398 OD1 ASN A 90 5.672 15.618 -3.503 1.00 1.65 O flip ATOM 1399 ND2 ASN A 90 3.552 15.760 -4.005 1.00 1.74 N flip ATOM 0 H ASN A 90 4.232 11.090 -2.284 1.00 0.57 H new ATOM 0 HA ASN A 90 3.649 13.345 -2.023 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.459 13.113 -3.922 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.140 13.323 -5.057 1.00 0.87 H new ATOM 0 HD21 ASN A 90 2.667 15.330 -4.273 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.609 16.769 -3.870 1.00 1.74 H new ATOM 1406 N GLY A 91 1.095 12.663 -2.765 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.336 12.953 -3.083 1.00 0.75 C ATOM 1408 C GLY A 91 -0.563 12.885 -4.595 1.00 0.79 C ATOM 1409 O GLY A 91 -0.980 13.843 -5.214 1.00 1.19 O ATOM 0 H GLY A 91 1.243 11.967 -2.034 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.982 12.235 -2.578 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.606 13.941 -2.711 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.296 11.759 -5.188 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.496 11.624 -6.660 1.00 1.27 C ATOM 1415 C ASP A 92 -1.952 11.929 -7.024 1.00 1.14 C ATOM 1416 O ASP A 92 -2.232 12.832 -7.789 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.162 10.166 -6.972 1.00 1.93 C ATOM 1418 CG ASP A 92 0.638 10.092 -8.274 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.772 10.545 -8.277 1.00 2.41 O ATOM 1420 OD2 ASP A 92 0.105 9.586 -9.246 1.00 2.68 O ATOM 0 H ASP A 92 0.053 10.923 -4.719 1.00 0.90 H new ATOM 0 HA ASP A 92 0.127 12.316 -7.227 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.413 9.731 -6.155 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.079 9.583 -7.063 1.00 1.93 H new ATOM 1425 N THR A 93 -2.877 11.177 -6.478 1.00 0.96 N ATOM 1426 CA THR A 93 -4.331 11.401 -6.772 1.00 1.33 C ATOM 1427 C THR A 93 -4.564 11.659 -8.265 1.00 1.26 C ATOM 1428 O THR A 93 -5.500 12.331 -8.649 1.00 1.90 O ATOM 1429 CB THR A 93 -4.727 12.626 -5.943 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.796 13.676 -6.165 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.740 12.258 -4.459 1.00 1.92 C ATOM 0 H THR A 93 -2.686 10.409 -5.834 1.00 0.96 H new ATOM 0 HA THR A 93 -4.928 10.525 -6.519 1.00 1.33 H new ATOM 0 HB THR A 93 -5.721 12.957 -6.243 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.539 13.691 -7.111 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.022 13.131 -3.870 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.460 11.457 -4.289 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.747 11.923 -4.159 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.723 11.128 -9.110 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.902 11.344 -10.575 1.00 1.18 C ATOM 1441 C ALA A 94 -3.361 10.143 -11.355 1.00 1.14 C ATOM 1442 O ALA A 94 -4.101 9.269 -11.760 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.094 12.603 -10.895 1.00 1.24 C ATOM 0 H ALA A 94 -2.920 10.555 -8.850 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.951 11.455 -10.851 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.176 12.828 -11.958 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.482 13.441 -10.316 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.047 12.438 -10.639 1.00 1.24 H new ATOM 1449 N SER A 95 -2.076 10.093 -11.565 1.00 1.20 N ATOM 1450 CA SER A 95 -1.486 8.947 -12.316 1.00 1.22 C ATOM 1451 C SER A 95 -0.588 8.119 -11.387 1.00 0.98 C ATOM 1452 O SER A 95 0.618 8.249 -11.421 1.00 0.98 O ATOM 1453 CB SER A 95 -0.660 9.589 -13.431 1.00 1.48 C ATOM 1454 OG SER A 95 -0.142 8.575 -14.281 1.00 2.01 O ATOM 0 H SER A 95 -1.407 10.796 -11.250 1.00 1.20 H new ATOM 0 HA SER A 95 -2.245 8.272 -12.711 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.279 10.279 -14.005 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.156 10.172 -13.004 1.00 1.48 H new ATOM 0 HG SER A 95 0.386 8.986 -14.997 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.210 7.293 -10.579 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.447 6.444 -9.630 1.00 0.72 C ATOM 1462 C PRO A 96 0.277 5.318 -10.375 1.00 0.65 C ATOM 1463 O PRO A 96 0.068 5.103 -11.552 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.521 5.880 -8.706 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.782 5.919 -9.510 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.662 7.075 -10.467 1.00 1.02 C ATOM 0 HA PRO A 96 0.324 6.995 -9.092 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.281 4.863 -8.397 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.613 6.476 -7.798 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.922 4.984 -10.052 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.649 6.045 -8.861 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.107 6.841 -11.434 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.171 7.961 -10.089 1.00 1.02 H new ATOM 1474 N LYS A 97 1.127 4.600 -9.694 1.00 0.55 N ATOM 1475 CA LYS A 97 1.866 3.488 -10.355 1.00 0.57 C ATOM 1476 C LYS A 97 1.204 2.149 -10.024 1.00 0.53 C ATOM 1477 O LYS A 97 0.555 2.002 -9.007 1.00 0.89 O ATOM 1478 CB LYS A 97 3.274 3.552 -9.764 1.00 0.68 C ATOM 1479 CG LYS A 97 4.023 4.749 -10.354 1.00 0.85 C ATOM 1480 CD LYS A 97 5.096 4.253 -11.326 1.00 1.63 C ATOM 1481 CE LYS A 97 4.488 4.097 -12.722 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.879 5.335 -13.451 1.00 2.61 N ATOM 0 H LYS A 97 1.342 4.736 -8.706 1.00 0.55 H new ATOM 0 HA LYS A 97 1.874 3.578 -11.441 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.220 3.642 -8.679 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.813 2.630 -9.981 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.326 5.408 -10.871 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.482 5.333 -9.556 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.927 4.957 -11.357 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.498 3.299 -10.984 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.870 3.207 -13.222 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.404 3.994 -12.672 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.499 5.303 -14.418 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 4.496 6.165 -12.956 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.916 5.403 -13.489 1.00 2.61 H new ATOM 1496 N GLU A 98 1.361 1.169 -10.871 1.00 0.51 N ATOM 1497 CA GLU A 98 0.737 -0.157 -10.596 1.00 0.48 C ATOM 1498 C GLU A 98 1.808 -1.171 -10.184 1.00 0.45 C ATOM 1499 O GLU A 98 2.799 -1.354 -10.862 1.00 0.61 O ATOM 1500 CB GLU A 98 0.083 -0.572 -11.915 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.605 -1.927 -11.740 1.00 1.33 C ATOM 1502 CD GLU A 98 -1.456 -2.230 -12.974 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.141 -1.331 -13.434 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -1.409 -3.357 -13.440 1.00 2.61 O ATOM 0 H GLU A 98 1.893 1.228 -11.739 1.00 0.51 H new ATOM 0 HA GLU A 98 0.014 -0.111 -9.782 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.643 0.179 -12.225 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.834 -0.633 -12.702 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.140 -2.710 -11.598 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -1.230 -1.917 -10.847 1.00 1.33 H new ATOM 1511 N TYR A 99 1.612 -1.831 -9.077 1.00 0.45 N ATOM 1512 CA TYR A 99 2.614 -2.835 -8.616 1.00 0.46 C ATOM 1513 C TYR A 99 2.602 -4.054 -9.544 1.00 0.53 C ATOM 1514 O TYR A 99 1.586 -4.695 -9.728 1.00 0.67 O ATOM 1515 CB TYR A 99 2.158 -3.219 -7.209 1.00 0.52 C ATOM 1516 CG TYR A 99 3.107 -4.237 -6.623 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.488 -4.027 -6.703 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.608 -5.392 -6.007 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.371 -4.969 -6.166 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.492 -6.336 -5.469 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.860 -6.125 -5.526 1.00 1.70 C ATOM 1522 OH TYR A 99 5.745 -7.057 -5.020 1.00 2.27 O ATOM 0 H TYR A 99 0.800 -1.719 -8.470 1.00 0.45 H new ATOM 0 HA TYR A 99 3.632 -2.446 -8.622 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.123 -2.334 -6.574 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.148 -3.627 -7.243 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.872 -3.137 -7.180 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.542 -5.555 -5.947 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.438 -4.816 -6.239 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.105 -7.233 -5.008 1.00 2.05 H new ATOM 0 HH TYR A 99 5.245 -7.793 -4.610 1.00 2.27 H new ATOM 1532 N THR A 100 3.721 -4.376 -10.132 1.00 0.60 N ATOM 1533 CA THR A 100 3.768 -5.550 -11.052 1.00 0.72 C ATOM 1534 C THR A 100 4.278 -6.789 -10.311 1.00 0.83 C ATOM 1535 O THR A 100 5.274 -7.379 -10.681 1.00 1.71 O ATOM 1536 CB THR A 100 4.747 -5.148 -12.157 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.022 -4.887 -11.586 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.236 -3.893 -12.865 1.00 1.13 C ATOM 0 H THR A 100 4.604 -3.879 -10.016 1.00 0.60 H new ATOM 0 HA THR A 100 2.784 -5.801 -11.447 1.00 0.72 H new ATOM 0 HB THR A 100 4.831 -5.959 -12.880 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.063 -3.954 -11.290 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.935 -3.609 -13.652 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.259 -4.095 -13.304 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.149 -3.079 -12.145 1.00 1.13 H new ATOM 1546 N ALA A 101 3.601 -7.191 -9.269 1.00 0.83 N ATOM 1547 CA ALA A 101 4.048 -8.395 -8.509 1.00 1.01 C ATOM 1548 C ALA A 101 3.043 -8.726 -7.403 1.00 1.36 C ATOM 1549 O ALA A 101 1.910 -8.288 -7.428 1.00 1.98 O ATOM 1550 CB ALA A 101 5.400 -8.010 -7.906 1.00 0.87 C ATOM 0 H ALA A 101 2.759 -6.739 -8.911 1.00 0.83 H new ATOM 0 HA ALA A 101 4.124 -9.277 -9.145 1.00 1.01 H new ATOM 0 HB1 ALA A 101 5.794 -8.848 -7.330 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.097 -7.760 -8.706 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.274 -7.148 -7.251 1.00 0.87 H new ATOM 1556 N GLY A 102 3.451 -9.494 -6.429 1.00 1.17 N ATOM 1557 CA GLY A 102 2.518 -9.849 -5.321 1.00 1.71 C ATOM 1558 C GLY A 102 2.709 -11.316 -4.942 1.00 1.08 C ATOM 1559 O GLY A 102 1.778 -12.096 -4.938 1.00 1.27 O ATOM 0 H GLY A 102 4.388 -9.890 -6.353 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.705 -9.212 -4.456 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.487 -9.674 -5.629 1.00 1.71 H new ATOM 1563 N ARG A 103 3.911 -11.691 -4.617 1.00 0.90 N ATOM 1564 CA ARG A 103 4.178 -13.107 -4.228 1.00 1.11 C ATOM 1565 C ARG A 103 4.789 -13.155 -2.827 1.00 0.94 C ATOM 1566 O ARG A 103 4.529 -14.056 -2.054 1.00 1.04 O ATOM 1567 CB ARG A 103 5.171 -13.626 -5.267 1.00 1.71 C ATOM 1568 CG ARG A 103 4.517 -13.611 -6.650 1.00 2.44 C ATOM 1569 CD ARG A 103 5.561 -13.961 -7.713 1.00 3.16 C ATOM 1570 NE ARG A 103 4.819 -14.745 -8.737 1.00 3.73 N ATOM 1571 CZ ARG A 103 4.508 -14.195 -9.878 1.00 4.34 C ATOM 1572 NH1 ARG A 103 3.982 -13.001 -9.906 1.00 4.84 N ATOM 1573 NH2 ARG A 103 4.724 -14.839 -10.994 1.00 4.81 N ATOM 0 H ARG A 103 4.726 -11.078 -4.603 1.00 0.90 H new ATOM 0 HA ARG A 103 3.270 -13.710 -4.203 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.068 -13.006 -5.270 1.00 1.71 H new ATOM 0 HB3 ARG A 103 5.484 -14.638 -5.012 1.00 1.71 H new ATOM 0 HG2 ARG A 103 3.695 -14.326 -6.683 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.092 -12.628 -6.852 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.000 -13.062 -8.146 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.379 -14.542 -7.287 1.00 3.16 H new ATOM 0 HE ARG A 103 4.554 -15.711 -8.547 1.00 3.73 H new ATOM 0 HH11 ARG A 103 3.814 -12.497 -9.035 1.00 4.84 H new ATOM 0 HH12 ARG A 103 3.739 -12.572 -10.799 1.00 4.84 H new ATOM 0 HH21 ARG A 103 5.136 -15.772 -10.973 1.00 4.81 H new ATOM 0 HH22 ARG A 103 4.481 -14.409 -11.886 1.00 4.81 H new ATOM 1587 N GLU A 104 5.597 -12.188 -2.495 1.00 0.75 N ATOM 1588 CA GLU A 104 6.226 -12.166 -1.145 1.00 0.66 C ATOM 1589 C GLU A 104 6.774 -10.768 -0.851 1.00 0.56 C ATOM 1590 O GLU A 104 6.990 -9.976 -1.746 1.00 0.57 O ATOM 1591 CB GLU A 104 7.364 -13.186 -1.217 1.00 0.79 C ATOM 1592 CG GLU A 104 8.298 -12.828 -2.375 1.00 1.59 C ATOM 1593 CD GLU A 104 8.501 -14.058 -3.263 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.675 -14.279 -4.132 1.00 2.51 O ATOM 1595 OE2 GLU A 104 9.479 -14.758 -3.056 1.00 2.04 O ATOM 0 H GLU A 104 5.850 -11.409 -3.103 1.00 0.75 H new ATOM 0 HA GLU A 104 5.518 -12.408 -0.352 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.918 -13.195 -0.278 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.960 -14.188 -1.358 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.875 -12.010 -2.959 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.257 -12.482 -1.990 1.00 1.59 H new ATOM 1602 N ALA A 105 6.998 -10.455 0.397 1.00 0.50 N ATOM 1603 CA ALA A 105 7.530 -9.104 0.745 1.00 0.44 C ATOM 1604 C ALA A 105 8.755 -8.769 -0.111 1.00 0.45 C ATOM 1605 O ALA A 105 9.044 -7.619 -0.375 1.00 0.47 O ATOM 1606 CB ALA A 105 7.924 -9.207 2.218 1.00 0.47 C ATOM 0 H ALA A 105 6.836 -11.075 1.190 1.00 0.50 H new ATOM 0 HA ALA A 105 6.797 -8.317 0.566 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.326 -8.252 2.555 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.046 -9.461 2.813 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.681 -9.982 2.339 1.00 0.47 H new ATOM 1612 N ASP A 106 9.479 -9.765 -0.542 1.00 0.51 N ATOM 1613 CA ASP A 106 10.686 -9.499 -1.376 1.00 0.56 C ATOM 1614 C ASP A 106 10.279 -8.964 -2.751 1.00 0.54 C ATOM 1615 O ASP A 106 10.990 -8.191 -3.362 1.00 0.64 O ATOM 1616 CB ASP A 106 11.378 -10.857 -1.511 1.00 0.67 C ATOM 1617 CG ASP A 106 12.855 -10.718 -1.137 1.00 1.18 C ATOM 1618 OD1 ASP A 106 13.581 -10.092 -1.892 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.234 -11.238 -0.100 1.00 1.82 O ATOM 0 H ASP A 106 9.288 -10.749 -0.354 1.00 0.51 H new ATOM 0 HA ASP A 106 11.338 -8.749 -0.929 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.895 -11.589 -0.863 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.284 -11.225 -2.533 1.00 0.67 H new ATOM 1624 N ASP A 107 9.141 -9.366 -3.242 1.00 0.50 N ATOM 1625 CA ASP A 107 8.693 -8.877 -4.578 1.00 0.52 C ATOM 1626 C ASP A 107 8.326 -7.394 -4.501 1.00 0.51 C ATOM 1627 O ASP A 107 8.462 -6.659 -5.459 1.00 0.63 O ATOM 1628 CB ASP A 107 7.462 -9.719 -4.920 1.00 0.55 C ATOM 1629 CG ASP A 107 7.903 -11.005 -5.622 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.604 -11.785 -5.000 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.532 -11.187 -6.770 1.00 1.41 O ATOM 0 H ASP A 107 8.501 -10.011 -2.778 1.00 0.50 H new ATOM 0 HA ASP A 107 9.472 -8.973 -5.334 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.909 -9.959 -4.012 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.788 -9.153 -5.564 1.00 0.55 H new ATOM 1636 N ILE A 108 7.858 -6.949 -3.367 1.00 0.46 N ATOM 1637 CA ILE A 108 7.479 -5.513 -3.229 1.00 0.52 C ATOM 1638 C ILE A 108 8.721 -4.649 -3.004 1.00 0.50 C ATOM 1639 O ILE A 108 8.873 -3.598 -3.596 1.00 0.52 O ATOM 1640 CB ILE A 108 6.564 -5.458 -2.004 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.373 -6.396 -2.214 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.059 -4.026 -1.812 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.449 -6.334 -0.996 1.00 0.68 C ATOM 0 H ILE A 108 7.722 -7.517 -2.531 1.00 0.46 H new ATOM 0 HA ILE A 108 6.988 -5.134 -4.125 1.00 0.52 H new ATOM 0 HB ILE A 108 7.119 -5.770 -1.120 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.826 -6.110 -3.113 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.724 -7.417 -2.365 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.407 -3.984 -0.940 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.907 -3.358 -1.663 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.503 -3.715 -2.696 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.602 -7.003 -1.148 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.999 -6.641 -0.106 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.087 -5.314 -0.865 1.00 0.68 H new ATOM 1655 N VAL A 109 9.610 -5.076 -2.149 1.00 0.51 N ATOM 1656 CA VAL A 109 10.836 -4.271 -1.889 1.00 0.56 C ATOM 1657 C VAL A 109 11.592 -4.011 -3.196 1.00 0.51 C ATOM 1658 O VAL A 109 12.134 -2.945 -3.408 1.00 0.55 O ATOM 1659 CB VAL A 109 11.681 -5.122 -0.942 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.998 -4.402 -0.652 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.919 -5.337 0.367 1.00 0.86 C ATOM 0 H VAL A 109 9.540 -5.946 -1.621 1.00 0.51 H new ATOM 0 HA VAL A 109 10.601 -3.297 -1.461 1.00 0.56 H new ATOM 0 HB VAL A 109 11.887 -6.087 -1.405 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.603 -5.007 0.023 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.541 -4.247 -1.584 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.791 -3.438 -0.188 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.521 -5.944 1.043 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.714 -4.372 0.831 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.979 -5.848 0.161 1.00 0.86 H new ATOM 1671 N ASN A 110 11.634 -4.976 -4.072 1.00 0.50 N ATOM 1672 CA ASN A 110 12.358 -4.775 -5.360 1.00 0.52 C ATOM 1673 C ASN A 110 11.665 -3.698 -6.193 1.00 0.50 C ATOM 1674 O ASN A 110 12.302 -2.926 -6.882 1.00 0.59 O ATOM 1675 CB ASN A 110 12.298 -6.127 -6.071 1.00 0.59 C ATOM 1676 CG ASN A 110 13.551 -6.938 -5.733 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.643 -6.589 -6.136 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.440 -8.014 -5.003 1.00 1.29 N ATOM 0 H ASN A 110 11.201 -5.892 -3.953 1.00 0.50 H new ATOM 0 HA ASN A 110 13.385 -4.445 -5.206 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.405 -6.672 -5.764 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.227 -5.980 -7.149 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.269 -8.561 -4.771 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.524 -8.308 -4.664 1.00 1.29 H new ATOM 1685 N TRP A 111 10.366 -3.627 -6.123 1.00 0.46 N ATOM 1686 CA TRP A 111 9.641 -2.585 -6.899 1.00 0.51 C ATOM 1687 C TRP A 111 9.619 -1.272 -6.108 1.00 0.55 C ATOM 1688 O TRP A 111 9.238 -0.236 -6.615 1.00 0.66 O ATOM 1689 CB TRP A 111 8.226 -3.134 -7.075 1.00 0.55 C ATOM 1690 CG TRP A 111 7.708 -2.752 -8.424 1.00 0.58 C ATOM 1691 CD1 TRP A 111 8.046 -3.358 -9.586 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.769 -1.694 -8.771 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.373 -2.738 -10.624 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.574 -1.707 -10.173 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.075 -0.734 -8.013 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.721 -0.799 -10.800 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.215 0.182 -8.642 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.039 0.148 -10.033 1.00 1.14 C ATOM 0 H TRP A 111 9.777 -4.244 -5.564 1.00 0.46 H new ATOM 0 HA TRP A 111 10.112 -2.374 -7.859 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.229 -4.219 -6.969 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.572 -2.740 -6.297 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.729 -4.189 -9.687 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.457 -3.010 -11.603 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.204 -0.701 -6.941 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.589 -0.828 -11.871 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.687 0.916 -8.051 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.376 0.854 -10.511 1.00 1.14 H new ATOM 1709 N LEU A 112 10.024 -1.311 -4.864 1.00 0.55 N ATOM 1710 CA LEU A 112 10.028 -0.075 -4.038 1.00 0.65 C ATOM 1711 C LEU A 112 11.444 0.503 -3.961 1.00 0.65 C ATOM 1712 O LEU A 112 11.630 1.701 -3.874 1.00 0.75 O ATOM 1713 CB LEU A 112 9.560 -0.539 -2.659 1.00 0.74 C ATOM 1714 CG LEU A 112 8.089 -0.164 -2.456 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.942 1.359 -2.486 1.00 1.10 C ATOM 1716 CD2 LEU A 112 7.241 -0.782 -3.571 1.00 1.49 C ATOM 0 H LEU A 112 10.352 -2.151 -4.387 1.00 0.55 H new ATOM 0 HA LEU A 112 9.391 0.709 -4.449 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.686 -1.618 -2.566 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.172 -0.079 -1.883 1.00 0.74 H new ATOM 0 HG LEU A 112 7.749 -0.543 -1.492 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.895 1.626 -2.342 1.00 1.10 H new ATOM 0 HD12 LEU A 112 8.542 1.798 -1.689 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.284 1.739 -3.449 1.00 1.10 H new ATOM 0 HD21 LEU A 112 6.195 -0.513 -3.424 1.00 1.49 H new ATOM 0 HD22 LEU A 112 7.580 -0.406 -4.536 1.00 1.49 H new ATOM 0 HD23 LEU A 112 7.344 -1.867 -3.548 1.00 1.49 H new ATOM 1728 N LYS A 113 12.445 -0.338 -3.989 1.00 0.62 N ATOM 1729 CA LYS A 113 13.845 0.173 -3.912 1.00 0.70 C ATOM 1730 C LYS A 113 14.285 0.737 -5.268 1.00 0.75 C ATOM 1731 O LYS A 113 15.156 1.580 -5.347 1.00 1.01 O ATOM 1732 CB LYS A 113 14.695 -1.043 -3.525 1.00 0.79 C ATOM 1733 CG LYS A 113 14.690 -2.071 -4.662 1.00 1.42 C ATOM 1734 CD LYS A 113 15.410 -3.342 -4.204 1.00 1.84 C ATOM 1735 CE LYS A 113 16.858 -3.008 -3.843 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.683 -3.953 -4.648 1.00 2.86 N ATOM 0 H LYS A 113 12.354 -1.351 -4.061 1.00 0.62 H new ATOM 0 HA LYS A 113 13.947 0.983 -3.190 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.717 -0.729 -3.312 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.304 -1.495 -2.614 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.665 -2.305 -4.951 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.183 -1.658 -5.542 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.899 -3.771 -3.342 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.385 -4.092 -4.995 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.096 -1.972 -4.084 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.039 -3.137 -2.776 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.691 -3.785 -4.454 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.439 -4.931 -4.392 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.495 -3.803 -5.660 1.00 2.86 H new ATOM 1750 N LYS A 114 13.691 0.275 -6.335 1.00 0.71 N ATOM 1751 CA LYS A 114 14.080 0.783 -7.683 1.00 0.89 C ATOM 1752 C LYS A 114 13.707 2.263 -7.835 1.00 1.07 C ATOM 1753 O LYS A 114 14.122 2.920 -8.770 1.00 1.31 O ATOM 1754 CB LYS A 114 13.285 -0.072 -8.671 1.00 0.92 C ATOM 1755 CG LYS A 114 14.092 -1.324 -9.024 1.00 1.45 C ATOM 1756 CD LYS A 114 13.790 -1.737 -10.466 1.00 1.77 C ATOM 1757 CE LYS A 114 14.287 -0.651 -11.423 1.00 2.49 C ATOM 1758 NZ LYS A 114 15.387 -1.294 -12.194 1.00 3.00 N ATOM 0 H LYS A 114 12.955 -0.431 -6.332 1.00 0.71 H new ATOM 0 HA LYS A 114 15.155 0.714 -7.849 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.327 -0.355 -8.235 1.00 0.92 H new ATOM 0 HB3 LYS A 114 13.069 0.501 -9.573 1.00 0.92 H new ATOM 0 HG2 LYS A 114 15.158 -1.128 -8.906 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.840 -2.136 -8.342 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.275 -2.686 -10.693 1.00 1.77 H new ATOM 0 HD3 LYS A 114 12.718 -1.888 -10.595 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.489 -0.310 -12.083 1.00 2.49 H new ATOM 0 HE3 LYS A 114 14.645 0.222 -10.878 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 15.780 -0.611 -12.873 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 16.135 -1.602 -11.540 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 15.015 -2.118 -12.708 1.00 3.00 H new ATOM 1772 N ARG A 115 12.928 2.797 -6.931 1.00 1.09 N ATOM 1773 CA ARG A 115 12.539 4.233 -7.043 1.00 1.40 C ATOM 1774 C ARG A 115 13.182 5.053 -5.920 1.00 1.25 C ATOM 1775 O ARG A 115 12.757 6.152 -5.623 1.00 1.55 O ATOM 1776 CB ARG A 115 11.017 4.242 -6.906 1.00 1.86 C ATOM 1777 CG ARG A 115 10.380 4.232 -8.298 1.00 2.43 C ATOM 1778 CD ARG A 115 9.921 2.813 -8.639 1.00 2.92 C ATOM 1779 NE ARG A 115 9.224 2.942 -9.948 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.154 1.918 -10.755 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.665 0.784 -10.330 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.572 2.028 -11.986 1.00 4.52 N ATOM 0 H ARG A 115 12.546 2.304 -6.124 1.00 1.09 H new ATOM 0 HA ARG A 115 12.869 4.674 -7.983 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.687 3.373 -6.337 1.00 1.86 H new ATOM 0 HB3 ARG A 115 10.696 5.125 -6.354 1.00 1.86 H new ATOM 0 HG2 ARG A 115 9.532 4.917 -8.327 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.097 4.582 -9.040 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.767 2.129 -8.707 1.00 2.92 H new ATOM 0 HD3 ARG A 115 9.254 2.418 -7.873 1.00 2.92 H new ATOM 0 HE ARG A 115 8.801 3.831 -10.215 1.00 3.45 H new ATOM 0 HH11 ARG A 115 8.338 0.698 -9.368 1.00 4.34 H new ATOM 0 HH12 ARG A 115 8.610 -0.016 -10.960 1.00 4.34 H new ATOM 0 HH21 ARG A 115 9.953 2.914 -12.318 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.517 1.228 -12.617 1.00 4.52 H new