USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -179:sc= -10.9! (180deg=-11!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.000371 X(o=-0.00037,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -2.05 F(o=-3.6!,f=-2.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.332 F(o=-3.8!,f=-0.33) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.377 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 21:sc= 0.737 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.15 F(o=-8.2!,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.62! C(o=-4.6!,f=-4.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 5.889 9.923 3.816 1.00 12.12 N ATOM 73 CA GLU A 7 5.134 9.274 2.751 1.00 64.33 C ATOM 74 C GLU A 7 5.167 7.757 2.907 1.00 54.02 C ATOM 75 O GLU A 7 6.013 7.213 3.618 1.00 14.14 O ATOM 76 CB GLU A 7 5.694 9.670 1.384 1.00 31.12 C ATOM 77 CG GLU A 7 7.096 9.144 1.125 1.00 22.10 C ATOM 78 CD GLU A 7 7.959 10.133 0.365 1.00 40.01 C ATOM 79 OE1 GLU A 7 7.800 10.232 -0.870 1.00 74.12 O ATOM 80 OE2 GLU A 7 8.792 10.808 1.005 1.00 44.03 O ATOM 0 HA GLU A 7 4.098 9.606 2.821 1.00 64.33 H new ATOM 0 HB2 GLU A 7 5.027 9.299 0.606 1.00 31.12 H new ATOM 0 HB3 GLU A 7 5.703 10.757 1.305 1.00 31.12 H new ATOM 0 HG2 GLU A 7 7.573 8.907 2.076 1.00 22.10 H new ATOM 0 HG3 GLU A 7 7.033 8.214 0.560 1.00 22.10 H new ATOM 85 N VAL A 8 4.241 7.078 2.239 1.00 65.14 N ATOM 86 CA VAL A 8 4.163 5.623 2.302 1.00 72.14 C ATOM 87 C VAL A 8 4.748 4.987 1.047 1.00 74.24 C ATOM 88 O VAL A 8 4.315 5.275 -0.069 1.00 53.44 O ATOM 89 CB VAL A 8 2.710 5.145 2.478 1.00 41.41 C ATOM 90 CG1 VAL A 8 2.007 5.069 1.131 1.00 62.43 C ATOM 91 CG2 VAL A 8 2.674 3.799 3.185 1.00 71.41 C ATOM 0 H VAL A 8 3.533 7.512 1.647 1.00 65.14 H new ATOM 0 HA VAL A 8 4.746 5.312 3.169 1.00 72.14 H new ATOM 0 HB VAL A 8 2.180 5.868 3.097 1.00 41.41 H new ATOM 0 HG11 VAL A 8 0.981 4.729 1.275 1.00 62.43 H new ATOM 0 HG12 VAL A 8 2.001 6.056 0.667 1.00 62.43 H new ATOM 0 HG13 VAL A 8 2.534 4.367 0.484 1.00 62.43 H new ATOM 0 HG21 VAL A 8 1.639 3.476 3.301 1.00 71.41 H new ATOM 0 HG22 VAL A 8 3.219 3.063 2.594 1.00 71.41 H new ATOM 0 HG23 VAL A 8 3.137 3.891 4.167 1.00 71.41 H new ATOM 101 N THR A 9 5.736 4.117 1.236 1.00 75.21 N ATOM 102 CA THR A 9 6.382 3.440 0.119 1.00 74.22 C ATOM 103 C THR A 9 6.373 1.927 0.313 1.00 41.33 C ATOM 104 O THR A 9 6.575 1.434 1.423 1.00 2.31 O ATOM 105 CB THR A 9 7.837 3.914 -0.062 1.00 63.35 C ATOM 106 OG1 THR A 9 8.630 3.496 1.056 1.00 5.22 O ATOM 107 CG2 THR A 9 7.899 5.427 -0.197 1.00 54.51 C ATOM 0 H THR A 9 6.106 3.865 2.153 1.00 75.21 H new ATOM 0 HA THR A 9 5.812 3.693 -0.775 1.00 74.22 H new ATOM 0 HB THR A 9 8.232 3.467 -0.974 1.00 63.35 H new ATOM 0 HG1 THR A 9 9.554 3.799 0.933 1.00 5.22 H new ATOM 0 HG21 THR A 9 8.936 5.739 -0.324 1.00 54.51 H new ATOM 0 HG22 THR A 9 7.318 5.739 -1.065 1.00 54.51 H new ATOM 0 HG23 THR A 9 7.488 5.890 0.700 1.00 54.51 H new ATOM 115 N MET A 10 6.138 1.197 -0.771 1.00 30.13 N ATOM 116 CA MET A 10 6.104 -0.260 -0.719 1.00 1.12 C ATOM 117 C MET A 10 7.222 -0.860 -1.566 1.00 32.33 C ATOM 118 O MET A 10 7.186 -0.798 -2.795 1.00 20.23 O ATOM 119 CB MET A 10 4.748 -0.778 -1.203 1.00 42.41 C ATOM 120 CG MET A 10 3.631 0.246 -1.088 1.00 63.30 C ATOM 121 SD MET A 10 2.070 -0.351 -1.764 1.00 62.53 S ATOM 122 CE MET A 10 2.171 0.260 -3.444 1.00 72.55 C ATOM 0 H MET A 10 5.968 1.590 -1.697 1.00 30.13 H new ATOM 0 HA MET A 10 6.252 -0.565 0.317 1.00 1.12 H new ATOM 0 HB2 MET A 10 4.838 -1.090 -2.243 1.00 42.41 H new ATOM 0 HB3 MET A 10 4.479 -1.663 -0.626 1.00 42.41 H new ATOM 0 HG2 MET A 10 3.491 0.510 -0.040 1.00 63.30 H new ATOM 0 HG3 MET A 10 3.924 1.157 -1.610 1.00 63.30 H new ATOM 0 HE1 MET A 10 1.266 -0.015 -3.986 1.00 72.55 H new ATOM 0 HE2 MET A 10 2.271 1.345 -3.431 1.00 72.55 H new ATOM 0 HE3 MET A 10 3.038 -0.178 -3.939 1.00 72.55 H new ATOM 130 N LYS A 11 8.215 -1.440 -0.901 1.00 32.10 N ATOM 131 CA LYS A 11 9.344 -2.053 -1.592 1.00 51.33 C ATOM 132 C LYS A 11 9.090 -3.536 -1.841 1.00 44.54 C ATOM 133 O LYS A 11 8.594 -4.247 -0.967 1.00 44.44 O ATOM 134 CB LYS A 11 10.626 -1.874 -0.775 1.00 74.41 C ATOM 135 CG LYS A 11 11.889 -1.871 -1.619 1.00 75.44 C ATOM 136 CD LYS A 11 12.886 -0.838 -1.125 1.00 14.42 C ATOM 137 CE LYS A 11 13.016 0.322 -2.101 1.00 43.43 C ATOM 138 NZ LYS A 11 13.011 1.638 -1.402 1.00 52.31 N ATOM 0 H LYS A 11 8.261 -1.499 0.116 1.00 32.10 H new ATOM 0 HA LYS A 11 9.462 -1.556 -2.555 1.00 51.33 H new ATOM 0 HB2 LYS A 11 10.566 -0.937 -0.222 1.00 74.41 H new ATOM 0 HB3 LYS A 11 10.693 -2.675 -0.039 1.00 74.41 H new ATOM 0 HG2 LYS A 11 12.346 -2.860 -1.595 1.00 75.44 H new ATOM 0 HG3 LYS A 11 11.633 -1.663 -2.658 1.00 75.44 H new ATOM 0 HD2 LYS A 11 12.570 -0.462 -0.152 1.00 14.42 H new ATOM 0 HD3 LYS A 11 13.859 -1.308 -0.985 1.00 14.42 H new ATOM 0 HE2 LYS A 11 13.940 0.216 -2.670 1.00 43.43 H new ATOM 0 HE3 LYS A 11 12.195 0.288 -2.817 1.00 43.43 H new ATOM 0 HZ1 LYS A 11 13.101 2.403 -2.101 1.00 52.31 H new ATOM 0 HZ2 LYS A 11 12.119 1.750 -0.880 1.00 52.31 H new ATOM 0 HZ3 LYS A 11 13.809 1.681 -0.737 1.00 52.31 H new ATOM 148 N LYS A 12 9.433 -3.997 -3.039 1.00 71.33 N ATOM 149 CA LYS A 12 9.245 -5.397 -3.402 1.00 23.35 C ATOM 150 C LYS A 12 9.715 -6.319 -2.282 1.00 41.23 C ATOM 151 O LYS A 12 10.908 -6.398 -1.990 1.00 31.41 O ATOM 152 CB LYS A 12 10.004 -5.717 -4.693 1.00 54.54 C ATOM 153 CG LYS A 12 9.409 -6.872 -5.479 1.00 41.14 C ATOM 154 CD LYS A 12 9.367 -6.570 -6.967 1.00 11.23 C ATOM 155 CE LYS A 12 10.732 -6.755 -7.612 1.00 44.53 C ATOM 156 NZ LYS A 12 10.658 -6.686 -9.098 1.00 43.23 N ATOM 0 H LYS A 12 9.843 -3.422 -3.775 1.00 71.33 H new ATOM 0 HA LYS A 12 8.180 -5.564 -3.562 1.00 23.35 H new ATOM 0 HB2 LYS A 12 10.020 -4.829 -5.325 1.00 54.54 H new ATOM 0 HB3 LYS A 12 11.040 -5.952 -4.447 1.00 54.54 H new ATOM 0 HG2 LYS A 12 9.998 -7.773 -5.306 1.00 41.14 H new ATOM 0 HG3 LYS A 12 8.400 -7.077 -5.120 1.00 41.14 H new ATOM 0 HD2 LYS A 12 8.643 -7.224 -7.452 1.00 11.23 H new ATOM 0 HD3 LYS A 12 9.026 -5.546 -7.122 1.00 11.23 H new ATOM 0 HE2 LYS A 12 11.413 -5.987 -7.246 1.00 44.53 H new ATOM 0 HE3 LYS A 12 11.147 -7.718 -7.313 1.00 44.53 H new ATOM 0 HZ1 LYS A 12 11.608 -6.817 -9.499 1.00 43.23 H new ATOM 0 HZ2 LYS A 12 10.028 -7.435 -9.449 1.00 43.23 H new ATOM 0 HZ3 LYS A 12 10.286 -5.758 -9.384 1.00 43.23 H new ATOM 166 N GLY A 13 8.770 -7.015 -1.658 1.00 4.12 N ATOM 167 CA GLY A 13 9.109 -7.923 -0.578 1.00 63.51 C ATOM 168 C GLY A 13 9.064 -7.251 0.780 1.00 64.34 C ATOM 169 O GLY A 13 10.084 -7.143 1.460 1.00 11.41 O ATOM 0 H GLY A 13 7.776 -6.966 -1.881 1.00 4.12 H new ATOM 0 HA2 GLY A 13 8.418 -8.766 -0.586 1.00 63.51 H new ATOM 0 HA3 GLY A 13 10.107 -8.327 -0.747 1.00 63.51 H new ATOM 173 N ASP A 14 7.880 -6.797 1.174 1.00 44.52 N ATOM 174 CA ASP A 14 7.706 -6.131 2.461 1.00 23.23 C ATOM 175 C ASP A 14 6.259 -6.230 2.933 1.00 33.15 C ATOM 176 O ASP A 14 5.329 -6.199 2.126 1.00 71.31 O ATOM 177 CB ASP A 14 8.123 -4.663 2.358 1.00 64.01 C ATOM 178 CG ASP A 14 8.743 -4.147 3.642 1.00 2.10 C ATOM 179 OD1 ASP A 14 8.484 -4.744 4.707 1.00 62.13 O ATOM 180 OD2 ASP A 14 9.485 -3.144 3.582 1.00 50.12 O ATOM 0 H ASP A 14 7.026 -6.877 0.622 1.00 44.52 H new ATOM 0 HA ASP A 14 8.342 -6.632 3.191 1.00 23.23 H new ATOM 0 HB2 ASP A 14 8.836 -4.547 1.541 1.00 64.01 H new ATOM 0 HB3 ASP A 14 7.252 -4.057 2.109 1.00 64.01 H new ATOM 184 N ILE A 15 6.076 -6.349 4.243 1.00 75.44 N ATOM 185 CA ILE A 15 4.742 -6.453 4.822 1.00 53.11 C ATOM 186 C ILE A 15 4.217 -5.085 5.241 1.00 52.51 C ATOM 187 O ILE A 15 4.946 -4.280 5.824 1.00 1.01 O ATOM 188 CB ILE A 15 4.731 -7.391 6.044 1.00 32.23 C ATOM 189 CG1 ILE A 15 5.430 -8.709 5.709 1.00 71.54 C ATOM 190 CG2 ILE A 15 3.302 -7.645 6.503 1.00 0.31 C ATOM 191 CD1 ILE A 15 6.082 -9.369 6.904 1.00 54.43 C ATOM 0 H ILE A 15 6.835 -6.376 4.924 1.00 75.44 H new ATOM 0 HA ILE A 15 4.094 -6.867 4.050 1.00 53.11 H new ATOM 0 HB ILE A 15 5.274 -6.910 6.858 1.00 32.23 H new ATOM 0 HG12 ILE A 15 4.703 -9.396 5.276 1.00 71.54 H new ATOM 0 HG13 ILE A 15 6.188 -8.525 4.947 1.00 71.54 H new ATOM 0 HG21 ILE A 15 3.310 -8.309 7.367 1.00 0.31 H new ATOM 0 HG22 ILE A 15 2.834 -6.699 6.777 1.00 0.31 H new ATOM 0 HG23 ILE A 15 2.737 -8.108 5.694 1.00 0.31 H new ATOM 0 HD11 ILE A 15 6.558 -10.298 6.592 1.00 54.43 H new ATOM 0 HD12 ILE A 15 6.833 -8.700 7.324 1.00 54.43 H new ATOM 0 HD13 ILE A 15 5.325 -9.585 7.658 1.00 54.43 H new ATOM 202 N LEU A 16 2.949 -4.827 4.943 1.00 23.42 N ATOM 203 CA LEU A 16 2.324 -3.555 5.290 1.00 32.52 C ATOM 204 C LEU A 16 0.896 -3.767 5.784 1.00 11.13 C ATOM 205 O LEU A 16 0.055 -4.314 5.069 1.00 62.25 O ATOM 206 CB LEU A 16 2.325 -2.618 4.081 1.00 3.21 C ATOM 207 CG LEU A 16 3.477 -2.798 3.093 1.00 30.33 C ATOM 208 CD1 LEU A 16 2.964 -3.346 1.769 1.00 44.44 C ATOM 209 CD2 LEU A 16 4.208 -1.480 2.879 1.00 25.43 C ATOM 0 H LEU A 16 2.333 -5.482 4.462 1.00 23.42 H new ATOM 0 HA LEU A 16 2.903 -3.101 6.094 1.00 32.52 H new ATOM 0 HB2 LEU A 16 1.387 -2.752 3.542 1.00 3.21 H new ATOM 0 HB3 LEU A 16 2.341 -1.590 4.443 1.00 3.21 H new ATOM 0 HG LEU A 16 4.181 -3.517 3.513 1.00 30.33 H new ATOM 0 HD11 LEU A 16 3.798 -3.468 1.078 1.00 44.44 H new ATOM 0 HD12 LEU A 16 2.487 -4.312 1.935 1.00 44.44 H new ATOM 0 HD13 LEU A 16 2.239 -2.652 1.344 1.00 44.44 H new ATOM 0 HD21 LEU A 16 5.025 -1.628 2.173 1.00 25.43 H new ATOM 0 HD22 LEU A 16 3.514 -0.739 2.482 1.00 25.43 H new ATOM 0 HD23 LEU A 16 4.609 -1.128 3.829 1.00 25.43 H new ATOM 220 N THR A 17 0.628 -3.328 7.009 1.00 1.20 N ATOM 221 CA THR A 17 -0.698 -3.467 7.598 1.00 62.43 C ATOM 222 C THR A 17 -1.788 -3.158 6.578 1.00 63.34 C ATOM 223 O THR A 17 -1.865 -2.045 6.056 1.00 65.21 O ATOM 224 CB THR A 17 -0.872 -2.541 8.816 1.00 63.12 C ATOM 225 OG1 THR A 17 0.046 -2.913 9.850 1.00 14.21 O ATOM 226 CG2 THR A 17 -2.296 -2.609 9.347 1.00 52.34 C ATOM 0 H THR A 17 1.312 -2.873 7.613 1.00 1.20 H new ATOM 0 HA THR A 17 -0.792 -4.503 7.923 1.00 62.43 H new ATOM 0 HB THR A 17 -0.667 -1.518 8.500 1.00 63.12 H new ATOM 0 HG1 THR A 17 -0.070 -2.318 10.620 1.00 14.21 H new ATOM 0 HG21 THR A 17 -2.396 -1.947 10.207 1.00 52.34 H new ATOM 0 HG22 THR A 17 -2.990 -2.297 8.567 1.00 52.34 H new ATOM 0 HG23 THR A 17 -2.524 -3.632 9.648 1.00 52.34 H new ATOM 234 N LEU A 18 -2.629 -4.148 6.299 1.00 13.42 N ATOM 235 CA LEU A 18 -3.716 -3.980 5.342 1.00 31.32 C ATOM 236 C LEU A 18 -4.698 -2.912 5.813 1.00 12.04 C ATOM 237 O LEU A 18 -5.800 -3.223 6.267 1.00 15.41 O ATOM 238 CB LEU A 18 -4.449 -5.307 5.136 1.00 64.33 C ATOM 239 CG LEU A 18 -5.051 -5.534 3.748 1.00 4.21 C ATOM 240 CD1 LEU A 18 -6.421 -6.185 3.860 1.00 74.40 C ATOM 241 CD2 LEU A 18 -5.144 -4.220 2.987 1.00 34.50 C ATOM 0 H LEU A 18 -2.579 -5.075 6.722 1.00 13.42 H new ATOM 0 HA LEU A 18 -3.285 -3.658 4.394 1.00 31.32 H new ATOM 0 HB2 LEU A 18 -3.753 -6.120 5.345 1.00 64.33 H new ATOM 0 HB3 LEU A 18 -5.250 -5.375 5.873 1.00 64.33 H new ATOM 0 HG LEU A 18 -4.396 -6.207 3.194 1.00 4.21 H new ATOM 0 HD11 LEU A 18 -6.833 -6.339 2.863 1.00 74.40 H new ATOM 0 HD12 LEU A 18 -6.327 -7.146 4.366 1.00 74.40 H new ATOM 0 HD13 LEU A 18 -7.086 -5.538 4.432 1.00 74.40 H new ATOM 0 HD21 LEU A 18 -5.574 -4.400 2.002 1.00 34.50 H new ATOM 0 HD22 LEU A 18 -5.777 -3.524 3.538 1.00 34.50 H new ATOM 0 HD23 LEU A 18 -4.147 -3.793 2.875 1.00 34.50 H new ATOM 252 N LEU A 19 -4.291 -1.652 5.700 1.00 22.43 N ATOM 253 CA LEU A 19 -5.135 -0.536 6.112 1.00 41.23 C ATOM 254 C LEU A 19 -6.449 -0.531 5.337 1.00 61.41 C ATOM 255 O LEU A 19 -6.708 -1.424 4.532 1.00 65.23 O ATOM 256 CB LEU A 19 -4.401 0.790 5.901 1.00 71.14 C ATOM 257 CG LEU A 19 -3.651 1.342 7.115 1.00 30.11 C ATOM 258 CD1 LEU A 19 -2.778 0.265 7.739 1.00 13.22 C ATOM 259 CD2 LEU A 19 -2.813 2.549 6.719 1.00 64.55 C ATOM 0 H LEU A 19 -3.382 -1.378 5.327 1.00 22.43 H new ATOM 0 HA LEU A 19 -5.360 -0.656 7.172 1.00 41.23 H new ATOM 0 HB2 LEU A 19 -3.689 0.662 5.086 1.00 71.14 H new ATOM 0 HB3 LEU A 19 -5.126 1.536 5.577 1.00 71.14 H new ATOM 0 HG LEU A 19 -4.383 1.660 7.857 1.00 30.11 H new ATOM 0 HD11 LEU A 19 -2.253 0.677 8.601 1.00 13.22 H new ATOM 0 HD12 LEU A 19 -3.402 -0.569 8.059 1.00 13.22 H new ATOM 0 HD13 LEU A 19 -2.052 -0.086 7.005 1.00 13.22 H new ATOM 0 HD21 LEU A 19 -2.286 2.929 7.594 1.00 64.55 H new ATOM 0 HD22 LEU A 19 -2.089 2.256 5.959 1.00 64.55 H new ATOM 0 HD23 LEU A 19 -3.463 3.328 6.320 1.00 64.55 H new ATOM 270 N ASN A 20 -7.272 0.482 5.585 1.00 44.00 N ATOM 271 CA ASN A 20 -8.559 0.604 4.909 1.00 13.23 C ATOM 272 C ASN A 20 -8.425 0.286 3.423 1.00 72.22 C ATOM 273 O ASN A 20 -7.959 1.113 2.640 1.00 14.22 O ATOM 274 CB ASN A 20 -9.122 2.015 5.091 1.00 5.02 C ATOM 275 CG ASN A 20 -10.460 2.016 5.807 1.00 72.51 C ATOM 276 OD1 ASN A 20 -10.520 2.118 7.032 1.00 22.23 O ATOM 277 ND2 ASN A 20 -11.540 1.900 5.042 1.00 50.35 N ATOM 0 H ASN A 20 -7.071 1.230 6.249 1.00 44.00 H new ATOM 0 HA ASN A 20 -9.246 -0.115 5.356 1.00 13.23 H new ATOM 0 HB2 ASN A 20 -8.410 2.617 5.656 1.00 5.02 H new ATOM 0 HB3 ASN A 20 -9.235 2.487 4.115 1.00 5.02 H new ATOM 0 HD21 ASN A 20 -12.467 1.893 5.467 1.00 50.35 H new ATOM 0 HD22 ASN A 20 -11.442 1.818 4.030 1.00 50.35 H new ATOM 283 N SER A 21 -8.838 -0.919 3.042 1.00 12.04 N ATOM 284 CA SER A 21 -8.761 -1.348 1.650 1.00 31.52 C ATOM 285 C SER A 21 -10.063 -1.043 0.914 1.00 41.44 C ATOM 286 O SER A 21 -10.296 -1.534 -0.189 1.00 32.33 O ATOM 287 CB SER A 21 -8.457 -2.845 1.572 1.00 65.22 C ATOM 288 OG SER A 21 -9.217 -3.570 2.524 1.00 0.41 O ATOM 0 H SER A 21 -9.229 -1.615 3.677 1.00 12.04 H new ATOM 0 HA SER A 21 -7.954 -0.795 1.169 1.00 31.52 H new ATOM 0 HB2 SER A 21 -8.678 -3.212 0.570 1.00 65.22 H new ATOM 0 HB3 SER A 21 -7.394 -3.013 1.746 1.00 65.22 H new ATOM 0 HG SER A 21 -9.006 -4.524 2.453 1.00 0.41 H new ATOM 293 N THR A 22 -10.908 -0.226 1.536 1.00 42.10 N ATOM 294 CA THR A 22 -12.187 0.146 0.943 1.00 72.44 C ATOM 295 C THR A 22 -12.081 0.244 -0.574 1.00 62.54 C ATOM 296 O THR A 22 -12.875 -0.353 -1.301 1.00 43.34 O ATOM 297 CB THR A 22 -12.695 1.488 1.500 1.00 2.23 C ATOM 298 OG1 THR A 22 -13.867 1.902 0.788 1.00 60.14 O ATOM 299 CG2 THR A 22 -11.622 2.561 1.387 1.00 44.05 C ATOM 0 H THR A 22 -10.730 0.190 2.450 1.00 42.10 H new ATOM 0 HA THR A 22 -12.897 -0.638 1.204 1.00 72.44 H new ATOM 0 HB THR A 22 -12.940 1.350 2.553 1.00 2.23 H new ATOM 0 HG1 THR A 22 -14.185 2.756 1.149 1.00 60.14 H new ATOM 0 HG21 THR A 22 -12.004 3.501 1.787 1.00 44.05 H new ATOM 0 HG22 THR A 22 -10.742 2.256 1.953 1.00 44.05 H new ATOM 0 HG23 THR A 22 -11.351 2.696 0.340 1.00 44.05 H new ATOM 307 N ASN A 23 -11.095 1.000 -1.046 1.00 3.22 N ATOM 308 CA ASN A 23 -10.887 1.177 -2.478 1.00 34.41 C ATOM 309 C ASN A 23 -10.527 -0.149 -3.143 1.00 53.32 C ATOM 310 O ASN A 23 -9.905 -1.016 -2.528 1.00 1.33 O ATOM 311 CB ASN A 23 -9.780 2.203 -2.731 1.00 1.32 C ATOM 312 CG ASN A 23 -10.330 3.559 -3.129 1.00 4.32 C ATOM 313 OD1 ASN A 23 -10.108 3.944 -4.381 1.00 20.01 O flip ATOM 314 ND2 ASN A 23 -10.948 4.253 -2.321 1.00 71.32 N flip ATOM 0 H ASN A 23 -10.428 1.499 -0.458 1.00 3.22 H new ATOM 0 HA ASN A 23 -11.818 1.541 -2.913 1.00 34.41 H new ATOM 0 HB2 ASN A 23 -9.174 2.309 -1.831 1.00 1.32 H new ATOM 0 HB3 ASN A 23 -9.121 1.836 -3.518 1.00 1.32 H new ATOM 0 HD21 ASN A 23 -11.096 3.918 -1.369 1.00 71.32 H new ATOM 0 HD22 ASN A 23 -11.312 5.163 -2.604 1.00 71.32 H new ATOM 320 N LYS A 24 -10.921 -0.299 -4.403 1.00 51.10 N ATOM 321 CA LYS A 24 -10.639 -1.517 -5.154 1.00 50.02 C ATOM 322 C LYS A 24 -9.302 -1.411 -5.880 1.00 2.10 C ATOM 323 O LYS A 24 -8.419 -2.250 -5.700 1.00 34.23 O ATOM 324 CB LYS A 24 -11.759 -1.790 -6.161 1.00 41.25 C ATOM 325 CG LYS A 24 -12.688 -2.918 -5.746 1.00 52.22 C ATOM 326 CD LYS A 24 -13.288 -3.619 -6.953 1.00 43.41 C ATOM 327 CE LYS A 24 -12.941 -5.098 -6.969 1.00 31.52 C ATOM 328 NZ LYS A 24 -11.838 -5.400 -7.924 1.00 51.42 N ATOM 0 H LYS A 24 -11.437 0.408 -4.926 1.00 51.10 H new ATOM 0 HA LYS A 24 -10.584 -2.346 -4.448 1.00 50.02 H new ATOM 0 HB2 LYS A 24 -12.344 -0.880 -6.297 1.00 41.25 H new ATOM 0 HB3 LYS A 24 -11.316 -2.032 -7.127 1.00 41.25 H new ATOM 0 HG2 LYS A 24 -12.138 -3.639 -5.141 1.00 52.22 H new ATOM 0 HG3 LYS A 24 -13.487 -2.521 -5.120 1.00 52.22 H new ATOM 0 HD2 LYS A 24 -14.371 -3.499 -6.943 1.00 43.41 H new ATOM 0 HD3 LYS A 24 -12.923 -3.149 -7.866 1.00 43.41 H new ATOM 0 HE2 LYS A 24 -12.650 -5.413 -5.967 1.00 31.52 H new ATOM 0 HE3 LYS A 24 -13.825 -5.675 -7.241 1.00 31.52 H new ATOM 0 HZ1 LYS A 24 -11.632 -6.419 -7.905 1.00 51.42 H new ATOM 0 HZ2 LYS A 24 -12.125 -5.123 -8.884 1.00 51.42 H new ATOM 0 HZ3 LYS A 24 -10.987 -4.869 -7.650 1.00 51.42 H new ATOM 338 N ASP A 25 -9.160 -0.376 -6.699 1.00 11.15 N ATOM 339 CA ASP A 25 -7.929 -0.159 -7.452 1.00 51.51 C ATOM 340 C ASP A 25 -6.837 0.412 -6.553 1.00 12.20 C ATOM 341 O ASP A 25 -5.700 0.602 -6.985 1.00 31.21 O ATOM 342 CB ASP A 25 -8.184 0.785 -8.627 1.00 11.22 C ATOM 343 CG ASP A 25 -9.297 0.295 -9.533 1.00 0.42 C ATOM 344 OD1 ASP A 25 -9.196 -0.844 -10.033 1.00 13.12 O ATOM 345 OD2 ASP A 25 -10.269 1.051 -9.741 1.00 72.31 O ATOM 0 H ASP A 25 -9.882 0.327 -6.859 1.00 11.15 H new ATOM 0 HA ASP A 25 -7.593 -1.122 -7.837 1.00 51.51 H new ATOM 0 HB2 ASP A 25 -8.439 1.774 -8.246 1.00 11.22 H new ATOM 0 HB3 ASP A 25 -7.268 0.893 -9.208 1.00 11.22 H new ATOM 349 N TRP A 26 -7.189 0.684 -5.301 1.00 32.13 N ATOM 350 CA TRP A 26 -6.239 1.234 -4.342 1.00 41.54 C ATOM 351 C TRP A 26 -6.480 0.665 -2.948 1.00 24.43 C ATOM 352 O TRP A 26 -7.575 0.788 -2.399 1.00 41.54 O ATOM 353 CB TRP A 26 -6.342 2.760 -4.308 1.00 63.13 C ATOM 354 CG TRP A 26 -5.859 3.416 -5.566 1.00 34.13 C ATOM 355 CD1 TRP A 26 -6.551 3.558 -6.734 1.00 1.21 C ATOM 356 CD2 TRP A 26 -4.577 4.016 -5.781 1.00 41.31 C ATOM 357 NE1 TRP A 26 -5.777 4.211 -7.663 1.00 50.32 N ATOM 358 CE2 TRP A 26 -4.562 4.504 -7.103 1.00 43.33 C ATOM 359 CE3 TRP A 26 -3.442 4.192 -4.986 1.00 52.32 C ATOM 360 CZ2 TRP A 26 -3.456 5.153 -7.644 1.00 33.42 C ATOM 361 CZ3 TRP A 26 -2.344 4.836 -5.524 1.00 22.13 C ATOM 362 CH2 TRP A 26 -2.358 5.311 -6.843 1.00 12.41 C ATOM 0 H TRP A 26 -8.126 0.532 -4.927 1.00 32.13 H new ATOM 0 HA TRP A 26 -5.236 0.951 -4.661 1.00 41.54 H new ATOM 0 HB2 TRP A 26 -7.380 3.043 -4.135 1.00 63.13 H new ATOM 0 HB3 TRP A 26 -5.764 3.137 -3.465 1.00 63.13 H new ATOM 0 HD1 TRP A 26 -7.559 3.208 -6.903 1.00 1.21 H new ATOM 0 HE1 TRP A 26 -6.061 4.440 -8.615 1.00 50.32 H new ATOM 0 HE3 TRP A 26 -3.423 3.831 -3.968 1.00 52.32 H new ATOM 0 HZ2 TRP A 26 -3.464 5.519 -8.660 1.00 33.42 H new ATOM 0 HZ3 TRP A 26 -1.461 4.976 -4.918 1.00 22.13 H new ATOM 0 HH2 TRP A 26 -1.485 5.812 -7.235 1.00 12.41 H new ATOM 372 N TRP A 27 -5.453 0.041 -2.383 1.00 44.23 N ATOM 373 CA TRP A 27 -5.556 -0.547 -1.052 1.00 72.20 C ATOM 374 C TRP A 27 -4.679 0.204 -0.055 1.00 22.24 C ATOM 375 O TRP A 27 -3.451 0.149 -0.128 1.00 65.22 O ATOM 376 CB TRP A 27 -5.153 -2.022 -1.092 1.00 65.30 C ATOM 377 CG TRP A 27 -6.321 -2.952 -1.226 1.00 23.42 C ATOM 378 CD1 TRP A 27 -7.606 -2.615 -1.544 1.00 3.12 C ATOM 379 CD2 TRP A 27 -6.311 -4.372 -1.045 1.00 32.43 C ATOM 380 NE1 TRP A 27 -8.395 -3.739 -1.571 1.00 32.31 N ATOM 381 CE2 TRP A 27 -7.624 -4.831 -1.270 1.00 52.25 C ATOM 382 CE3 TRP A 27 -5.321 -5.302 -0.718 1.00 34.11 C ATOM 383 CZ2 TRP A 27 -7.969 -6.177 -1.176 1.00 51.23 C ATOM 384 CZ3 TRP A 27 -5.664 -6.637 -0.625 1.00 60.30 C ATOM 385 CH2 TRP A 27 -6.979 -7.065 -0.853 1.00 55.42 C ATOM 0 H TRP A 27 -4.540 -0.071 -2.825 1.00 44.23 H new ATOM 0 HA TRP A 27 -6.593 -0.468 -0.727 1.00 72.20 H new ATOM 0 HB2 TRP A 27 -4.472 -2.183 -1.927 1.00 65.30 H new ATOM 0 HB3 TRP A 27 -4.605 -2.267 -0.182 1.00 65.30 H new ATOM 0 HD1 TRP A 27 -7.951 -1.612 -1.745 1.00 3.12 H new ATOM 0 HE1 TRP A 27 -9.393 -3.758 -1.781 1.00 32.31 H new ATOM 0 HE3 TRP A 27 -4.305 -4.983 -0.541 1.00 34.11 H new ATOM 0 HZ2 TRP A 27 -8.982 -6.508 -1.352 1.00 51.23 H new ATOM 0 HZ3 TRP A 27 -4.906 -7.363 -0.372 1.00 60.30 H new ATOM 0 HH2 TRP A 27 -7.216 -8.116 -0.772 1.00 55.42 H new ATOM 395 N LYS A 28 -5.317 0.907 0.875 1.00 33.42 N ATOM 396 CA LYS A 28 -4.596 1.669 1.887 1.00 72.32 C ATOM 397 C LYS A 28 -3.700 0.756 2.719 1.00 52.42 C ATOM 398 O LYS A 28 -4.137 -0.289 3.201 1.00 23.32 O ATOM 399 CB LYS A 28 -5.580 2.403 2.799 1.00 64.21 C ATOM 400 CG LYS A 28 -5.012 3.672 3.412 1.00 21.25 C ATOM 401 CD LYS A 28 -5.843 4.140 4.595 1.00 1.40 C ATOM 402 CE LYS A 28 -5.439 5.538 5.041 1.00 35.42 C ATOM 403 NZ LYS A 28 -6.588 6.290 5.617 1.00 13.20 N ATOM 0 H LYS A 28 -6.333 0.965 0.948 1.00 33.42 H new ATOM 0 HA LYS A 28 -3.968 2.400 1.377 1.00 72.32 H new ATOM 0 HB2 LYS A 28 -6.474 2.654 2.228 1.00 64.21 H new ATOM 0 HB3 LYS A 28 -5.891 1.731 3.599 1.00 64.21 H new ATOM 0 HG2 LYS A 28 -3.986 3.494 3.735 1.00 21.25 H new ATOM 0 HG3 LYS A 28 -4.977 4.458 2.657 1.00 21.25 H new ATOM 0 HD2 LYS A 28 -6.899 4.134 4.325 1.00 1.40 H new ATOM 0 HD3 LYS A 28 -5.722 3.443 5.424 1.00 1.40 H new ATOM 0 HE2 LYS A 28 -4.643 5.467 5.782 1.00 35.42 H new ATOM 0 HE3 LYS A 28 -5.035 6.088 4.191 1.00 35.42 H new ATOM 0 HZ1 LYS A 28 -6.272 7.237 5.909 1.00 13.20 H new ATOM 0 HZ2 LYS A 28 -7.337 6.380 4.902 1.00 13.20 H new ATOM 0 HZ3 LYS A 28 -6.958 5.779 6.444 1.00 13.20 H new ATOM 413 N VAL A 29 -2.444 1.159 2.885 1.00 20.11 N ATOM 414 CA VAL A 29 -1.488 0.379 3.661 1.00 15.22 C ATOM 415 C VAL A 29 -0.518 1.286 4.410 1.00 13.24 C ATOM 416 O VAL A 29 -0.055 2.293 3.875 1.00 23.43 O ATOM 417 CB VAL A 29 -0.685 -0.580 2.762 1.00 33.00 C ATOM 418 CG1 VAL A 29 -1.622 -1.453 1.940 1.00 52.33 C ATOM 419 CG2 VAL A 29 0.258 0.201 1.859 1.00 33.45 C ATOM 0 H VAL A 29 -2.065 2.021 2.492 1.00 20.11 H new ATOM 0 HA VAL A 29 -2.065 -0.204 4.379 1.00 15.22 H new ATOM 0 HB VAL A 29 -0.086 -1.231 3.399 1.00 33.00 H new ATOM 0 HG11 VAL A 29 -1.036 -2.124 1.311 1.00 52.33 H new ATOM 0 HG12 VAL A 29 -2.252 -2.040 2.608 1.00 52.33 H new ATOM 0 HG13 VAL A 29 -2.249 -0.822 1.311 1.00 52.33 H new ATOM 0 HG21 VAL A 29 0.817 -0.492 1.231 1.00 33.45 H new ATOM 0 HG22 VAL A 29 -0.319 0.877 1.228 1.00 33.45 H new ATOM 0 HG23 VAL A 29 0.952 0.778 2.470 1.00 33.45 H new ATOM 429 N GLU A 30 -0.214 0.922 5.652 1.00 71.32 N ATOM 430 CA GLU A 30 0.701 1.704 6.475 1.00 64.31 C ATOM 431 C GLU A 30 2.125 1.168 6.364 1.00 2.31 C ATOM 432 O GLU A 30 2.346 0.050 5.897 1.00 42.41 O ATOM 433 CB GLU A 30 0.250 1.685 7.937 1.00 62.33 C ATOM 434 CG GLU A 30 1.246 2.325 8.889 1.00 10.11 C ATOM 435 CD GLU A 30 0.761 2.326 10.326 1.00 43.24 C ATOM 436 OE1 GLU A 30 -0.449 2.108 10.545 1.00 23.14 O ATOM 437 OE2 GLU A 30 1.592 2.547 11.231 1.00 65.24 O ATOM 0 H GLU A 30 -0.588 0.091 6.110 1.00 71.32 H new ATOM 0 HA GLU A 30 0.688 2.732 6.112 1.00 64.31 H new ATOM 0 HB2 GLU A 30 -0.705 2.204 8.021 1.00 62.33 H new ATOM 0 HB3 GLU A 30 0.080 0.653 8.243 1.00 62.33 H new ATOM 0 HG2 GLU A 30 2.194 1.791 8.830 1.00 10.11 H new ATOM 0 HG3 GLU A 30 1.437 3.351 8.573 1.00 10.11 H new ATOM 442 N VAL A 31 3.089 1.975 6.795 1.00 15.33 N ATOM 443 CA VAL A 31 4.494 1.585 6.744 1.00 62.02 C ATOM 444 C VAL A 31 5.238 2.047 7.991 1.00 44.45 C ATOM 445 O VAL A 31 6.002 3.010 7.949 1.00 14.33 O ATOM 446 CB VAL A 31 5.193 2.161 5.499 1.00 23.21 C ATOM 447 CG1 VAL A 31 6.695 1.935 5.576 1.00 72.35 C ATOM 448 CG2 VAL A 31 4.617 1.546 4.233 1.00 1.25 C ATOM 0 H VAL A 31 2.923 2.903 7.184 1.00 15.33 H new ATOM 0 HA VAL A 31 4.518 0.496 6.693 1.00 62.02 H new ATOM 0 HB VAL A 31 5.014 3.236 5.468 1.00 23.21 H new ATOM 0 HG11 VAL A 31 7.171 2.349 4.687 1.00 72.35 H new ATOM 0 HG12 VAL A 31 7.092 2.428 6.463 1.00 72.35 H new ATOM 0 HG13 VAL A 31 6.900 0.866 5.633 1.00 72.35 H new ATOM 0 HG21 VAL A 31 5.123 1.964 3.363 1.00 1.25 H new ATOM 0 HG22 VAL A 31 4.764 0.466 4.254 1.00 1.25 H new ATOM 0 HG23 VAL A 31 3.551 1.766 4.174 1.00 1.25 H new ATOM 458 N ASN A 32 5.008 1.354 9.102 1.00 73.14 N ATOM 459 CA ASN A 32 5.658 1.693 10.363 1.00 1.33 C ATOM 460 C ASN A 32 5.117 3.008 10.916 1.00 1.45 C ATOM 461 O ASN A 32 4.382 3.024 11.903 1.00 62.41 O ATOM 462 CB ASN A 32 7.173 1.792 10.171 1.00 23.14 C ATOM 463 CG ASN A 32 7.738 0.605 9.415 1.00 65.10 C ATOM 464 OD1 ASN A 32 7.925 0.768 8.111 1.00 23.35 O flip ATOM 465 ND2 ASN A 32 8.004 -0.446 9.999 1.00 13.41 N flip ATOM 0 H ASN A 32 4.377 0.555 9.155 1.00 73.14 H new ATOM 0 HA ASN A 32 5.441 0.901 11.079 1.00 1.33 H new ATOM 0 HB2 ASN A 32 7.409 2.709 9.631 1.00 23.14 H new ATOM 0 HB3 ASN A 32 7.656 1.862 11.145 1.00 23.14 H new ATOM 0 HD21 ASN A 32 7.844 -0.526 11.003 1.00 13.41 H new ATOM 0 HD22 ASN A 32 8.385 -1.236 9.479 1.00 13.41 H new ATOM 471 N ASP A 33 5.487 4.111 10.273 1.00 4.14 N ATOM 472 CA ASP A 33 5.038 5.431 10.698 1.00 11.12 C ATOM 473 C ASP A 33 4.412 6.193 9.535 1.00 5.42 C ATOM 474 O ASP A 33 3.699 7.177 9.736 1.00 23.02 O ATOM 475 CB ASP A 33 6.208 6.229 11.276 1.00 42.21 C ATOM 476 CG ASP A 33 5.904 6.788 12.653 1.00 10.24 C ATOM 477 OD1 ASP A 33 5.986 6.022 13.636 1.00 13.21 O ATOM 478 OD2 ASP A 33 5.584 7.992 12.746 1.00 35.42 O ATOM 0 H ASP A 33 6.097 4.116 9.455 1.00 4.14 H new ATOM 0 HA ASP A 33 4.281 5.299 11.471 1.00 11.12 H new ATOM 0 HB2 ASP A 33 7.088 5.588 11.333 1.00 42.21 H new ATOM 0 HB3 ASP A 33 6.454 7.048 10.601 1.00 42.21 H new ATOM 482 N ARG A 34 4.683 5.733 8.318 1.00 22.31 N ATOM 483 CA ARG A 34 4.148 6.373 7.122 1.00 3.50 C ATOM 484 C ARG A 34 3.026 5.537 6.513 1.00 43.35 C ATOM 485 O ARG A 34 3.206 4.354 6.229 1.00 30.53 O ATOM 486 CB ARG A 34 5.258 6.583 6.090 1.00 11.50 C ATOM 487 CG ARG A 34 6.653 6.601 6.693 1.00 0.43 C ATOM 488 CD ARG A 34 7.724 6.464 5.622 1.00 34.40 C ATOM 489 NE ARG A 34 8.143 7.759 5.096 1.00 5.54 N ATOM 490 CZ ARG A 34 8.994 7.903 4.087 1.00 14.13 C ATOM 491 NH1 ARG A 34 9.514 6.836 3.497 1.00 33.24 N ATOM 492 NH2 ARG A 34 9.326 9.116 3.665 1.00 14.24 N ATOM 0 H ARG A 34 5.270 4.919 8.134 1.00 22.31 H new ATOM 0 HA ARG A 34 3.741 7.342 7.411 1.00 3.50 H new ATOM 0 HB2 ARG A 34 5.204 5.790 5.344 1.00 11.50 H new ATOM 0 HB3 ARG A 34 5.084 7.524 5.568 1.00 11.50 H new ATOM 0 HG2 ARG A 34 6.802 7.531 7.241 1.00 0.43 H new ATOM 0 HG3 ARG A 34 6.750 5.788 7.413 1.00 0.43 H new ATOM 0 HD2 ARG A 34 8.588 5.945 6.038 1.00 34.40 H new ATOM 0 HD3 ARG A 34 7.344 5.848 4.807 1.00 34.40 H new ATOM 0 HE ARG A 34 7.761 8.601 5.527 1.00 5.54 H new ATOM 0 HH11 ARG A 34 9.261 5.902 3.818 1.00 33.24 H new ATOM 0 HH12 ARG A 34 10.167 6.949 2.722 1.00 33.24 H new ATOM 0 HH21 ARG A 34 8.927 9.940 4.116 1.00 14.24 H new ATOM 0 HH22 ARG A 34 9.980 9.225 2.890 1.00 14.24 H new ATOM 503 N GLN A 35 1.868 6.161 6.319 1.00 52.43 N ATOM 504 CA GLN A 35 0.717 5.473 5.746 1.00 40.43 C ATOM 505 C GLN A 35 0.106 6.288 4.611 1.00 10.30 C ATOM 506 O GLN A 35 0.319 7.496 4.516 1.00 10.22 O ATOM 507 CB GLN A 35 -0.336 5.211 6.824 1.00 51.44 C ATOM 508 CG GLN A 35 0.007 5.828 8.172 1.00 5.15 C ATOM 509 CD GLN A 35 -1.175 5.848 9.121 1.00 3.22 C ATOM 510 OE1 GLN A 35 -1.360 4.929 9.920 1.00 74.12 O ATOM 511 NE2 GLN A 35 -1.982 6.899 9.040 1.00 1.02 N ATOM 0 H GLN A 35 1.702 7.141 6.550 1.00 52.43 H new ATOM 0 HA GLN A 35 1.059 4.520 5.343 1.00 40.43 H new ATOM 0 HB2 GLN A 35 -1.295 5.605 6.487 1.00 51.44 H new ATOM 0 HB3 GLN A 35 -0.459 4.135 6.947 1.00 51.44 H new ATOM 0 HG2 GLN A 35 0.824 5.268 8.627 1.00 5.15 H new ATOM 0 HG3 GLN A 35 0.364 6.847 8.021 1.00 5.15 H new ATOM 0 HE21 GLN A 35 -1.791 7.638 8.363 1.00 1.02 H new ATOM 0 HE22 GLN A 35 -2.793 6.968 9.655 1.00 1.02 H new ATOM 518 N GLY A 36 -0.654 5.618 3.750 1.00 51.23 N ATOM 519 CA GLY A 36 -1.284 6.296 2.632 1.00 75.12 C ATOM 520 C GLY A 36 -1.938 5.331 1.664 1.00 60.11 C ATOM 521 O GLY A 36 -1.843 4.114 1.828 1.00 13.22 O ATOM 0 H GLY A 36 -0.845 4.618 3.807 1.00 51.23 H new ATOM 0 HA2 GLY A 36 -2.034 6.992 3.009 1.00 75.12 H new ATOM 0 HA3 GLY A 36 -0.537 6.887 2.102 1.00 75.12 H new ATOM 525 N PHE A 37 -2.608 5.873 0.651 1.00 52.45 N ATOM 526 CA PHE A 37 -3.283 5.052 -0.346 1.00 43.31 C ATOM 527 C PHE A 37 -2.298 4.556 -1.401 1.00 43.34 C ATOM 528 O PHE A 37 -1.458 5.313 -1.886 1.00 41.04 O ATOM 529 CB PHE A 37 -4.407 5.847 -1.015 1.00 41.55 C ATOM 530 CG PHE A 37 -5.639 5.975 -0.165 1.00 22.30 C ATOM 531 CD1 PHE A 37 -6.634 5.012 -0.215 1.00 43.51 C ATOM 532 CD2 PHE A 37 -5.802 7.059 0.683 1.00 15.54 C ATOM 533 CE1 PHE A 37 -7.769 5.127 0.566 1.00 54.23 C ATOM 534 CE2 PHE A 37 -6.934 7.179 1.466 1.00 44.32 C ATOM 535 CZ PHE A 37 -7.920 6.213 1.407 1.00 73.44 C ATOM 0 H PHE A 37 -2.697 6.878 0.500 1.00 52.45 H new ATOM 0 HA PHE A 37 -3.710 4.187 0.161 1.00 43.31 H new ATOM 0 HB2 PHE A 37 -4.040 6.843 -1.261 1.00 41.55 H new ATOM 0 HB3 PHE A 37 -4.673 5.364 -1.955 1.00 41.55 H new ATOM 0 HD1 PHE A 37 -6.522 4.162 -0.872 1.00 43.51 H new ATOM 0 HD2 PHE A 37 -5.036 7.818 0.732 1.00 15.54 H new ATOM 0 HE1 PHE A 37 -8.537 4.369 0.519 1.00 54.23 H new ATOM 0 HE2 PHE A 37 -7.048 8.028 2.124 1.00 44.32 H new ATOM 0 HZ PHE A 37 -8.807 6.306 2.017 1.00 73.44 H new ATOM 544 N VAL A 38 -2.408 3.279 -1.749 1.00 60.51 N ATOM 545 CA VAL A 38 -1.529 2.680 -2.746 1.00 74.43 C ATOM 546 C VAL A 38 -2.295 1.721 -3.650 1.00 20.35 C ATOM 547 O VAL A 38 -3.335 1.175 -3.279 1.00 31.11 O ATOM 548 CB VAL A 38 -0.363 1.922 -2.083 1.00 22.43 C ATOM 549 CG1 VAL A 38 0.694 2.896 -1.589 1.00 54.31 C ATOM 550 CG2 VAL A 38 -0.873 1.052 -0.944 1.00 23.50 C ATOM 0 H VAL A 38 -3.097 2.639 -1.355 1.00 60.51 H new ATOM 0 HA VAL A 38 -1.128 3.497 -3.346 1.00 74.43 H new ATOM 0 HB VAL A 38 0.096 1.272 -2.828 1.00 22.43 H new ATOM 0 HG11 VAL A 38 1.510 2.343 -1.124 1.00 54.31 H new ATOM 0 HG12 VAL A 38 1.080 3.472 -2.430 1.00 54.31 H new ATOM 0 HG13 VAL A 38 0.252 3.573 -0.858 1.00 54.31 H new ATOM 0 HG21 VAL A 38 -0.036 0.524 -0.487 1.00 23.50 H new ATOM 0 HG22 VAL A 38 -1.358 1.679 -0.196 1.00 23.50 H new ATOM 0 HG23 VAL A 38 -1.590 0.329 -1.332 1.00 23.50 H new ATOM 560 N PRO A 39 -1.771 1.508 -4.867 1.00 52.43 N ATOM 561 CA PRO A 39 -2.389 0.614 -5.850 1.00 61.11 C ATOM 562 C PRO A 39 -2.289 -0.852 -5.443 1.00 32.43 C ATOM 563 O PRO A 39 -1.193 -1.404 -5.340 1.00 64.11 O ATOM 564 CB PRO A 39 -1.580 0.873 -7.123 1.00 72.54 C ATOM 565 CG PRO A 39 -0.257 1.357 -6.639 1.00 4.22 C ATOM 566 CD PRO A 39 -0.534 2.125 -5.376 1.00 24.01 C ATOM 0 HA PRO A 39 -3.456 0.805 -5.961 1.00 61.11 H new ATOM 0 HB2 PRO A 39 -1.476 -0.035 -7.718 1.00 72.54 H new ATOM 0 HB3 PRO A 39 -2.066 1.615 -7.757 1.00 72.54 H new ATOM 0 HG2 PRO A 39 0.418 0.523 -6.448 1.00 4.22 H new ATOM 0 HG3 PRO A 39 0.223 1.991 -7.384 1.00 4.22 H new ATOM 0 HD2 PRO A 39 0.284 2.033 -4.662 1.00 24.01 H new ATOM 0 HD3 PRO A 39 -0.667 3.189 -5.573 1.00 24.01 H new ATOM 571 N ALA A 40 -3.439 -1.478 -5.213 1.00 33.11 N ATOM 572 CA ALA A 40 -3.479 -2.881 -4.820 1.00 60.32 C ATOM 573 C ALA A 40 -2.692 -3.748 -5.796 1.00 2.25 C ATOM 574 O ALA A 40 -2.328 -4.881 -5.481 1.00 11.44 O ATOM 575 CB ALA A 40 -4.920 -3.361 -4.728 1.00 33.33 C ATOM 0 H ALA A 40 -4.355 -1.036 -5.292 1.00 33.11 H new ATOM 0 HA ALA A 40 -3.013 -2.972 -3.839 1.00 60.32 H new ATOM 0 HB1 ALA A 40 -4.936 -4.410 -4.434 1.00 33.33 H new ATOM 0 HB2 ALA A 40 -5.454 -2.768 -3.986 1.00 33.33 H new ATOM 0 HB3 ALA A 40 -5.403 -3.249 -5.698 1.00 33.33 H new ATOM 581 N ALA A 41 -2.434 -3.209 -6.984 1.00 54.14 N ATOM 582 CA ALA A 41 -1.688 -3.933 -8.006 1.00 64.32 C ATOM 583 C ALA A 41 -0.239 -4.145 -7.582 1.00 44.50 C ATOM 584 O ALA A 41 0.406 -5.106 -8.000 1.00 1.22 O ATOM 585 CB ALA A 41 -1.750 -3.189 -9.332 1.00 44.35 C ATOM 0 H ALA A 41 -2.731 -2.274 -7.262 1.00 54.14 H new ATOM 0 HA ALA A 41 -2.149 -4.913 -8.131 1.00 64.32 H new ATOM 0 HB1 ALA A 41 -1.189 -3.741 -10.086 1.00 44.35 H new ATOM 0 HB2 ALA A 41 -2.789 -3.096 -9.649 1.00 44.35 H new ATOM 0 HB3 ALA A 41 -1.317 -2.196 -9.213 1.00 44.35 H new ATOM 591 N TYR A 42 0.268 -3.240 -6.752 1.00 44.43 N ATOM 592 CA TYR A 42 1.642 -3.326 -6.274 1.00 1.31 C ATOM 593 C TYR A 42 1.721 -4.138 -4.985 1.00 74.15 C ATOM 594 O TYR A 42 2.809 -4.457 -4.504 1.00 62.33 O ATOM 595 CB TYR A 42 2.213 -1.925 -6.043 1.00 70.21 C ATOM 596 CG TYR A 42 2.516 -1.176 -7.321 1.00 60.14 C ATOM 597 CD1 TYR A 42 1.571 -1.082 -8.335 1.00 60.13 C ATOM 598 CD2 TYR A 42 3.747 -0.562 -7.513 1.00 11.34 C ATOM 599 CE1 TYR A 42 1.844 -0.400 -9.504 1.00 32.25 C ATOM 600 CE2 TYR A 42 4.028 0.124 -8.679 1.00 32.30 C ATOM 601 CZ TYR A 42 3.074 0.202 -9.672 1.00 61.30 C ATOM 602 OH TYR A 42 3.350 0.883 -10.835 1.00 4.41 O ATOM 0 H TYR A 42 -0.253 -2.438 -6.396 1.00 44.43 H new ATOM 0 HA TYR A 42 2.234 -3.831 -7.037 1.00 1.31 H new ATOM 0 HB2 TYR A 42 1.504 -1.346 -5.452 1.00 70.21 H new ATOM 0 HB3 TYR A 42 3.127 -2.007 -5.454 1.00 70.21 H new ATOM 0 HD1 TYR A 42 0.606 -1.550 -8.207 1.00 60.13 H new ATOM 0 HD2 TYR A 42 4.497 -0.622 -6.738 1.00 11.34 H new ATOM 0 HE1 TYR A 42 1.099 -0.338 -10.283 1.00 32.25 H new ATOM 0 HE2 TYR A 42 4.990 0.597 -8.812 1.00 32.30 H new ATOM 0 HH TYR A 42 4.259 1.248 -10.793 1.00 4.41 H new ATOM 611 N VAL A 43 0.560 -4.471 -4.430 1.00 4.32 N ATOM 612 CA VAL A 43 0.496 -5.248 -3.198 1.00 22.24 C ATOM 613 C VAL A 43 -0.450 -6.435 -3.346 1.00 51.33 C ATOM 614 O VAL A 43 -1.081 -6.614 -4.388 1.00 53.13 O ATOM 615 CB VAL A 43 0.034 -4.381 -2.012 1.00 44.21 C ATOM 616 CG1 VAL A 43 1.138 -3.427 -1.585 1.00 22.05 C ATOM 617 CG2 VAL A 43 -1.233 -3.618 -2.371 1.00 32.15 C ATOM 0 H VAL A 43 -0.349 -4.215 -4.814 1.00 4.32 H new ATOM 0 HA VAL A 43 1.504 -5.613 -3.000 1.00 22.24 H new ATOM 0 HB VAL A 43 -0.191 -5.037 -1.171 1.00 44.21 H new ATOM 0 HG11 VAL A 43 0.793 -2.823 -0.746 1.00 22.05 H new ATOM 0 HG12 VAL A 43 2.016 -3.998 -1.284 1.00 22.05 H new ATOM 0 HG13 VAL A 43 1.398 -2.775 -2.419 1.00 22.05 H new ATOM 0 HG21 VAL A 43 -1.545 -3.011 -1.521 1.00 32.15 H new ATOM 0 HG22 VAL A 43 -1.038 -2.972 -3.227 1.00 32.15 H new ATOM 0 HG23 VAL A 43 -2.024 -4.324 -2.622 1.00 32.15 H new ATOM 627 N LYS A 44 -0.543 -7.243 -2.296 1.00 24.41 N ATOM 628 CA LYS A 44 -1.413 -8.413 -2.306 1.00 73.02 C ATOM 629 C LYS A 44 -1.483 -9.051 -0.922 1.00 20.32 C ATOM 630 O LYS A 44 -0.497 -9.069 -0.185 1.00 44.42 O ATOM 631 CB LYS A 44 -0.912 -9.438 -3.326 1.00 64.11 C ATOM 632 CG LYS A 44 -1.403 -10.850 -3.061 1.00 20.21 C ATOM 633 CD LYS A 44 -0.334 -11.693 -2.385 1.00 64.23 C ATOM 634 CE LYS A 44 0.862 -11.913 -3.298 1.00 63.24 C ATOM 635 NZ LYS A 44 1.266 -13.346 -3.348 1.00 45.32 N ATOM 0 H LYS A 44 -0.026 -7.109 -1.427 1.00 24.41 H new ATOM 0 HA LYS A 44 -2.414 -8.087 -2.588 1.00 73.02 H new ATOM 0 HB2 LYS A 44 -1.231 -9.132 -4.322 1.00 64.11 H new ATOM 0 HB3 LYS A 44 0.178 -9.435 -3.326 1.00 64.11 H new ATOM 0 HG2 LYS A 44 -2.292 -10.815 -2.432 1.00 20.21 H new ATOM 0 HG3 LYS A 44 -1.696 -11.317 -4.001 1.00 20.21 H new ATOM 0 HD2 LYS A 44 -0.008 -11.202 -1.468 1.00 64.23 H new ATOM 0 HD3 LYS A 44 -0.756 -12.656 -2.098 1.00 64.23 H new ATOM 0 HE2 LYS A 44 0.619 -11.569 -4.303 1.00 63.24 H new ATOM 0 HE3 LYS A 44 1.701 -11.311 -2.949 1.00 63.24 H new ATOM 0 HZ1 LYS A 44 2.084 -13.454 -3.981 1.00 45.32 H new ATOM 0 HZ2 LYS A 44 1.522 -13.668 -2.393 1.00 45.32 H new ATOM 0 HZ3 LYS A 44 0.474 -13.918 -3.705 1.00 45.32 H new ATOM 645 N LYS A 45 -2.654 -9.576 -0.576 1.00 42.43 N ATOM 646 CA LYS A 45 -2.853 -10.217 0.718 1.00 52.23 C ATOM 647 C LYS A 45 -1.960 -11.446 0.859 1.00 32.12 C ATOM 648 O LYS A 45 -1.657 -12.122 -0.125 1.00 54.14 O ATOM 649 CB LYS A 45 -4.319 -10.617 0.893 1.00 4.11 C ATOM 650 CG LYS A 45 -5.087 -9.713 1.840 1.00 43.42 C ATOM 651 CD LYS A 45 -6.299 -10.418 2.426 1.00 13.21 C ATOM 652 CE LYS A 45 -7.467 -9.462 2.609 1.00 24.21 C ATOM 653 NZ LYS A 45 -8.776 -10.133 2.372 1.00 70.01 N ATOM 0 H LYS A 45 -3.480 -9.570 -1.175 1.00 42.43 H new ATOM 0 HA LYS A 45 -2.583 -9.501 1.495 1.00 52.23 H new ATOM 0 HB2 LYS A 45 -4.808 -10.608 -0.081 1.00 4.11 H new ATOM 0 HB3 LYS A 45 -4.366 -11.641 1.264 1.00 4.11 H new ATOM 0 HG2 LYS A 45 -4.430 -9.387 2.646 1.00 43.42 H new ATOM 0 HG3 LYS A 45 -5.408 -8.817 1.309 1.00 43.42 H new ATOM 0 HD2 LYS A 45 -6.597 -11.236 1.771 1.00 13.21 H new ATOM 0 HD3 LYS A 45 -6.035 -10.859 3.387 1.00 13.21 H new ATOM 0 HE2 LYS A 45 -7.446 -9.053 3.619 1.00 24.21 H new ATOM 0 HE3 LYS A 45 -7.360 -8.622 1.922 1.00 24.21 H new ATOM 0 HZ1 LYS A 45 -9.547 -9.448 2.507 1.00 70.01 H new ATOM 0 HZ2 LYS A 45 -8.806 -10.502 1.400 1.00 70.01 H new ATOM 0 HZ3 LYS A 45 -8.890 -10.919 3.044 1.00 70.01 H new ATOM 663 N LEU A 46 -1.543 -11.731 2.088 1.00 71.23 N ATOM 664 CA LEU A 46 -0.685 -12.881 2.357 1.00 43.33 C ATOM 665 C LEU A 46 -1.446 -13.961 3.119 1.00 43.05 C ATOM 666 O LEU A 46 -2.636 -13.814 3.403 1.00 15.15 O ATOM 667 CB LEU A 46 0.545 -12.447 3.156 1.00 61.44 C ATOM 668 CG LEU A 46 1.460 -11.426 2.480 1.00 71.03 C ATOM 669 CD1 LEU A 46 2.043 -10.468 3.507 1.00 25.24 C ATOM 670 CD2 LEU A 46 2.570 -12.130 1.714 1.00 73.13 C ATOM 0 H LEU A 46 -1.785 -11.183 2.913 1.00 71.23 H new ATOM 0 HA LEU A 46 -0.363 -13.295 1.402 1.00 43.33 H new ATOM 0 HB2 LEU A 46 0.208 -12.030 4.105 1.00 61.44 H new ATOM 0 HB3 LEU A 46 1.134 -13.334 3.389 1.00 61.44 H new ATOM 0 HG LEU A 46 0.866 -10.848 1.771 1.00 71.03 H new ATOM 0 HD11 LEU A 46 2.692 -9.749 3.007 1.00 25.24 H new ATOM 0 HD12 LEU A 46 1.234 -9.938 4.011 1.00 25.24 H new ATOM 0 HD13 LEU A 46 2.622 -11.029 4.241 1.00 25.24 H new ATOM 0 HD21 LEU A 46 3.212 -11.388 1.239 1.00 73.13 H new ATOM 0 HD22 LEU A 46 3.161 -12.733 2.403 1.00 73.13 H new ATOM 0 HD23 LEU A 46 2.133 -12.774 0.950 1.00 73.13 H new ATOM 681 N ASP A 47 -0.752 -15.044 3.451 1.00 23.13 N ATOM 682 CA ASP A 47 -1.362 -16.148 4.182 1.00 41.14 C ATOM 683 C ASP A 47 -0.843 -16.202 5.616 1.00 13.14 C ATOM 684 O ASP A 47 0.340 -16.452 5.849 1.00 71.31 O ATOM 685 CB ASP A 47 -1.081 -17.475 3.475 1.00 4.32 C ATOM 686 CG ASP A 47 -2.099 -17.781 2.395 1.00 63.32 C ATOM 687 OD1 ASP A 47 -2.249 -16.958 1.467 1.00 55.35 O ATOM 688 OD2 ASP A 47 -2.747 -18.845 2.476 1.00 62.51 O ATOM 0 H ASP A 47 0.233 -15.181 3.225 1.00 23.13 H new ATOM 0 HA ASP A 47 -2.439 -15.982 4.209 1.00 41.14 H new ATOM 0 HB2 ASP A 47 -0.085 -17.444 3.033 1.00 4.32 H new ATOM 0 HB3 ASP A 47 -1.080 -18.281 4.208 1.00 4.32 H new ATOM 692 N SER A 48 -1.735 -15.964 6.572 1.00 54.15 N ATOM 693 CA SER A 48 -1.365 -15.980 7.984 1.00 34.42 C ATOM 694 C SER A 48 -2.045 -17.137 8.710 1.00 74.31 C ATOM 695 O SER A 48 -1.398 -17.905 9.420 1.00 55.25 O ATOM 696 CB SER A 48 -1.741 -14.655 8.647 1.00 2.24 C ATOM 697 OG SER A 48 -0.773 -14.271 9.606 1.00 14.30 O ATOM 0 H SER A 48 -2.718 -15.758 6.396 1.00 54.15 H new ATOM 0 HA SER A 48 -0.286 -16.116 8.050 1.00 34.42 H new ATOM 0 HB2 SER A 48 -1.833 -13.878 7.888 1.00 2.24 H new ATOM 0 HB3 SER A 48 -2.715 -14.749 9.127 1.00 2.24 H new ATOM 0 HG SER A 48 -1.036 -13.420 10.014 1.00 14.30 H new ATOM 702 N GLY A 49 -3.356 -17.254 8.525 1.00 63.14 N ATOM 703 CA GLY A 49 -4.104 -18.318 9.168 1.00 65.04 C ATOM 704 C GLY A 49 -4.389 -18.026 10.628 1.00 42.32 C ATOM 705 O GLY A 49 -4.786 -18.915 11.383 1.00 34.15 O ATOM 0 H GLY A 49 -3.914 -16.631 7.941 1.00 63.14 H new ATOM 0 HA2 GLY A 49 -5.046 -18.466 8.640 1.00 65.04 H new ATOM 0 HA3 GLY A 49 -3.544 -19.250 9.090 1.00 65.04 H new ATOM 709 N THR A 50 -4.186 -16.775 11.031 1.00 4.03 N ATOM 710 CA THR A 50 -4.422 -16.368 12.410 1.00 34.13 C ATOM 711 C THR A 50 -5.565 -15.364 12.500 1.00 44.12 C ATOM 712 O THR A 50 -6.186 -15.208 13.550 1.00 51.30 O ATOM 713 CB THR A 50 -3.158 -15.747 13.035 1.00 41.12 C ATOM 714 OG1 THR A 50 -3.465 -15.209 14.327 1.00 15.04 O ATOM 715 CG2 THR A 50 -2.596 -14.649 12.144 1.00 22.45 C ATOM 0 H THR A 50 -3.858 -16.026 10.421 1.00 4.03 H new ATOM 0 HA THR A 50 -4.689 -17.268 12.964 1.00 34.13 H new ATOM 0 HB THR A 50 -2.407 -16.530 13.136 1.00 41.12 H new ATOM 0 HG1 THR A 50 -2.657 -14.817 14.719 1.00 15.04 H new ATOM 0 HG21 THR A 50 -1.704 -14.226 12.606 1.00 22.45 H new ATOM 0 HG22 THR A 50 -2.337 -15.067 11.171 1.00 22.45 H new ATOM 0 HG23 THR A 50 -3.344 -13.867 12.015 1.00 22.45 H new ATOM 723 N GLY A 51 -5.840 -14.685 11.390 1.00 34.33 N ATOM 724 CA GLY A 51 -6.909 -13.705 11.365 1.00 63.24 C ATOM 725 C GLY A 51 -6.391 -12.281 11.359 1.00 50.12 C ATOM 726 O GLY A 51 -6.987 -11.392 11.968 1.00 73.52 O ATOM 0 H GLY A 51 -5.341 -14.797 10.508 1.00 34.33 H new ATOM 0 HA2 GLY A 51 -7.526 -13.867 10.481 1.00 63.24 H new ATOM 0 HA3 GLY A 51 -7.552 -13.851 12.233 1.00 63.24 H new ATOM 730 N LYS A 52 -5.276 -12.062 10.671 1.00 31.02 N ATOM 731 CA LYS A 52 -4.675 -10.736 10.589 1.00 21.04 C ATOM 732 C LYS A 52 -4.870 -10.136 9.200 1.00 23.43 C ATOM 733 O LYS A 52 -5.166 -10.850 8.242 1.00 31.31 O ATOM 734 CB LYS A 52 -3.183 -10.807 10.919 1.00 50.24 C ATOM 735 CG LYS A 52 -2.897 -11.229 12.351 1.00 10.43 C ATOM 736 CD LYS A 52 -3.126 -10.086 13.325 1.00 53.43 C ATOM 737 CE LYS A 52 -1.956 -9.112 13.326 1.00 23.14 C ATOM 738 NZ LYS A 52 -2.033 -8.154 14.462 1.00 42.43 N ATOM 0 H LYS A 52 -4.770 -12.786 10.162 1.00 31.02 H new ATOM 0 HA LYS A 52 -5.171 -10.095 11.317 1.00 21.04 H new ATOM 0 HB2 LYS A 52 -2.702 -11.510 10.239 1.00 50.24 H new ATOM 0 HB3 LYS A 52 -2.733 -9.831 10.740 1.00 50.24 H new ATOM 0 HG2 LYS A 52 -3.537 -12.070 12.618 1.00 10.43 H new ATOM 0 HG3 LYS A 52 -1.866 -11.575 12.430 1.00 10.43 H new ATOM 0 HD2 LYS A 52 -4.041 -9.557 13.058 1.00 53.43 H new ATOM 0 HD3 LYS A 52 -3.270 -10.485 14.329 1.00 53.43 H new ATOM 0 HE2 LYS A 52 -1.020 -9.668 13.383 1.00 23.14 H new ATOM 0 HE3 LYS A 52 -1.942 -8.560 12.386 1.00 23.14 H new ATOM 0 HZ1 LYS A 52 -1.219 -7.508 14.427 1.00 42.43 H new ATOM 0 HZ2 LYS A 52 -2.914 -7.605 14.394 1.00 42.43 H new ATOM 0 HZ3 LYS A 52 -2.021 -8.679 15.360 1.00 42.43 H new ATOM 748 N GLU A 53 -4.701 -8.821 9.098 1.00 70.11 N ATOM 749 CA GLU A 53 -4.858 -8.127 7.825 1.00 60.01 C ATOM 750 C GLU A 53 -3.527 -7.553 7.351 1.00 34.32 C ATOM 751 O GLU A 53 -3.184 -6.411 7.660 1.00 74.00 O ATOM 752 CB GLU A 53 -5.892 -7.007 7.955 1.00 4.25 C ATOM 753 CG GLU A 53 -7.120 -7.401 8.759 1.00 32.45 C ATOM 754 CD GLU A 53 -8.368 -7.503 7.904 1.00 24.11 C ATOM 755 OE1 GLU A 53 -8.253 -7.923 6.734 1.00 73.12 O ATOM 756 OE2 GLU A 53 -9.460 -7.164 8.406 1.00 63.21 O ATOM 0 H GLU A 53 -4.456 -8.215 9.881 1.00 70.11 H new ATOM 0 HA GLU A 53 -5.206 -8.849 7.086 1.00 60.01 H new ATOM 0 HB2 GLU A 53 -5.422 -6.143 8.425 1.00 4.25 H new ATOM 0 HB3 GLU A 53 -6.205 -6.696 6.958 1.00 4.25 H new ATOM 0 HG2 GLU A 53 -6.939 -8.359 9.247 1.00 32.45 H new ATOM 0 HG3 GLU A 53 -7.284 -6.667 9.548 1.00 32.45 H new ATOM 761 N LEU A 54 -2.779 -8.352 6.598 1.00 34.53 N ATOM 762 CA LEU A 54 -1.484 -7.926 6.079 1.00 42.15 C ATOM 763 C LEU A 54 -1.443 -8.032 4.559 1.00 22.10 C ATOM 764 O LEU A 54 -2.236 -8.755 3.955 1.00 71.53 O ATOM 765 CB LEU A 54 -0.364 -8.771 6.691 1.00 44.22 C ATOM 766 CG LEU A 54 -0.755 -10.178 7.142 1.00 3.51 C ATOM 767 CD1 LEU A 54 -0.998 -11.076 5.940 1.00 2.12 C ATOM 768 CD2 LEU A 54 0.321 -10.768 8.042 1.00 34.14 C ATOM 0 H LEU A 54 -3.048 -9.300 6.333 1.00 34.53 H new ATOM 0 HA LEU A 54 -1.336 -6.882 6.355 1.00 42.15 H new ATOM 0 HB2 LEU A 54 0.440 -8.856 5.960 1.00 44.22 H new ATOM 0 HB3 LEU A 54 0.040 -8.235 7.550 1.00 44.22 H new ATOM 0 HG LEU A 54 -1.681 -10.111 7.712 1.00 3.51 H new ATOM 0 HD11 LEU A 54 -1.275 -12.073 6.281 1.00 2.12 H new ATOM 0 HD12 LEU A 54 -1.804 -10.663 5.334 1.00 2.12 H new ATOM 0 HD13 LEU A 54 -0.089 -11.137 5.342 1.00 2.12 H new ATOM 0 HD21 LEU A 54 0.026 -11.770 8.353 1.00 34.14 H new ATOM 0 HD22 LEU A 54 1.263 -10.821 7.496 1.00 34.14 H new ATOM 0 HD23 LEU A 54 0.446 -10.137 8.922 1.00 34.14 H new ATOM 779 N VAL A 55 -0.514 -7.307 3.945 1.00 32.54 N ATOM 780 CA VAL A 55 -0.368 -7.322 2.494 1.00 74.42 C ATOM 781 C VAL A 55 1.084 -7.103 2.085 1.00 50.41 C ATOM 782 O VAL A 55 1.683 -6.076 2.409 1.00 31.42 O ATOM 783 CB VAL A 55 -1.245 -6.244 1.830 1.00 51.40 C ATOM 784 CG1 VAL A 55 -2.551 -6.847 1.335 1.00 35.23 C ATOM 785 CG2 VAL A 55 -1.510 -5.103 2.800 1.00 11.34 C ATOM 0 H VAL A 55 0.149 -6.702 4.429 1.00 32.54 H new ATOM 0 HA VAL A 55 -0.694 -8.305 2.154 1.00 74.42 H new ATOM 0 HB VAL A 55 -0.709 -5.844 0.970 1.00 51.40 H new ATOM 0 HG11 VAL A 55 -3.157 -6.070 0.869 1.00 35.23 H new ATOM 0 HG12 VAL A 55 -2.338 -7.628 0.605 1.00 35.23 H new ATOM 0 HG13 VAL A 55 -3.095 -7.276 2.176 1.00 35.23 H new ATOM 0 HG21 VAL A 55 -2.131 -4.350 2.315 1.00 11.34 H new ATOM 0 HG22 VAL A 55 -2.026 -5.486 3.681 1.00 11.34 H new ATOM 0 HG23 VAL A 55 -0.563 -4.654 3.101 1.00 11.34 H new ATOM 795 N LEU A 56 1.646 -8.073 1.372 1.00 61.23 N ATOM 796 CA LEU A 56 3.029 -7.987 0.918 1.00 40.42 C ATOM 797 C LEU A 56 3.145 -7.084 -0.307 1.00 64.34 C ATOM 798 O LEU A 56 2.180 -6.902 -1.048 1.00 23.20 O ATOM 799 CB LEU A 56 3.568 -9.381 0.591 1.00 45.15 C ATOM 800 CG LEU A 56 4.935 -9.428 -0.092 1.00 61.42 C ATOM 801 CD1 LEU A 56 5.691 -10.684 0.315 1.00 41.04 C ATOM 802 CD2 LEU A 56 4.777 -9.366 -1.604 1.00 61.23 C ATOM 0 H LEU A 56 1.164 -8.929 1.096 1.00 61.23 H new ATOM 0 HA LEU A 56 3.623 -7.555 1.723 1.00 40.42 H new ATOM 0 HB2 LEU A 56 3.627 -9.952 1.517 1.00 45.15 H new ATOM 0 HB3 LEU A 56 2.846 -9.887 -0.050 1.00 45.15 H new ATOM 0 HG LEU A 56 5.511 -8.561 0.230 1.00 61.42 H new ATOM 0 HD11 LEU A 56 6.662 -10.701 -0.180 1.00 41.04 H new ATOM 0 HD12 LEU A 56 5.835 -10.688 1.395 1.00 41.04 H new ATOM 0 HD13 LEU A 56 5.119 -11.564 0.022 1.00 41.04 H new ATOM 0 HD21 LEU A 56 5.760 -9.401 -2.074 1.00 61.23 H new ATOM 0 HD22 LEU A 56 4.183 -10.215 -1.943 1.00 61.23 H new ATOM 0 HD23 LEU A 56 4.275 -8.438 -1.880 1.00 61.23 H new ATOM 813 N ALA A 57 4.332 -6.525 -0.513 1.00 54.34 N ATOM 814 CA ALA A 57 4.576 -5.645 -1.649 1.00 62.22 C ATOM 815 C ALA A 57 5.139 -6.423 -2.834 1.00 51.44 C ATOM 816 O ALA A 57 6.239 -6.974 -2.761 1.00 22.24 O ATOM 817 CB ALA A 57 5.522 -4.521 -1.255 1.00 63.51 C ATOM 0 H ALA A 57 5.141 -6.666 0.092 1.00 54.34 H new ATOM 0 HA ALA A 57 3.623 -5.211 -1.952 1.00 62.22 H new ATOM 0 HB1 ALA A 57 5.694 -3.873 -2.114 1.00 63.51 H new ATOM 0 HB2 ALA A 57 5.080 -3.941 -0.445 1.00 63.51 H new ATOM 0 HB3 ALA A 57 6.471 -4.943 -0.923 1.00 63.51 H new ATOM 823 N LEU A 58 4.380 -6.465 -3.923 1.00 31.32 N ATOM 824 CA LEU A 58 4.803 -7.176 -5.124 1.00 73.04 C ATOM 825 C LEU A 58 5.724 -6.307 -5.976 1.00 74.44 C ATOM 826 O LEU A 58 6.719 -6.787 -6.520 1.00 51.03 O ATOM 827 CB LEU A 58 3.585 -7.604 -5.944 1.00 3.32 C ATOM 828 CG LEU A 58 2.327 -7.948 -5.147 1.00 61.24 C ATOM 829 CD1 LEU A 58 1.190 -8.331 -6.082 1.00 15.22 C ATOM 830 CD2 LEU A 58 2.611 -9.072 -4.161 1.00 22.12 C ATOM 0 H LEU A 58 3.468 -6.015 -3.999 1.00 31.32 H new ATOM 0 HA LEU A 58 5.355 -8.064 -4.815 1.00 73.04 H new ATOM 0 HB2 LEU A 58 3.341 -6.802 -6.641 1.00 3.32 H new ATOM 0 HB3 LEU A 58 3.861 -8.473 -6.541 1.00 3.32 H new ATOM 0 HG LEU A 58 2.025 -7.065 -4.584 1.00 61.24 H new ATOM 0 HD11 LEU A 58 0.303 -8.573 -5.496 1.00 15.22 H new ATOM 0 HD12 LEU A 58 0.969 -7.496 -6.747 1.00 15.22 H new ATOM 0 HD13 LEU A 58 1.482 -9.199 -6.673 1.00 15.22 H new ATOM 0 HD21 LEU A 58 1.704 -9.304 -3.602 1.00 22.12 H new ATOM 0 HD22 LEU A 58 2.939 -9.958 -4.704 1.00 22.12 H new ATOM 0 HD23 LEU A 58 3.394 -8.760 -3.469 1.00 22.12 H new ATOM 841 N TYR A 59 5.386 -5.027 -6.084 1.00 74.21 N ATOM 842 CA TYR A 59 6.182 -4.091 -6.868 1.00 35.25 C ATOM 843 C TYR A 59 6.678 -2.938 -6.002 1.00 53.41 C ATOM 844 O TYR A 59 6.439 -2.905 -4.795 1.00 30.52 O ATOM 845 CB TYR A 59 5.362 -3.547 -8.039 1.00 21.22 C ATOM 846 CG TYR A 59 4.466 -4.582 -8.684 1.00 42.54 C ATOM 847 CD1 TYR A 59 4.893 -5.895 -8.843 1.00 43.41 C ATOM 848 CD2 TYR A 59 3.196 -4.247 -9.133 1.00 24.22 C ATOM 849 CE1 TYR A 59 4.079 -6.843 -9.432 1.00 61.23 C ATOM 850 CE2 TYR A 59 2.374 -5.189 -9.721 1.00 34.11 C ATOM 851 CZ TYR A 59 2.821 -6.486 -9.868 1.00 22.45 C ATOM 852 OH TYR A 59 2.006 -7.427 -10.455 1.00 72.00 O ATOM 0 H TYR A 59 4.566 -4.614 -5.639 1.00 74.21 H new ATOM 0 HA TYR A 59 7.047 -4.628 -7.257 1.00 35.25 H new ATOM 0 HB2 TYR A 59 4.749 -2.717 -7.688 1.00 21.22 H new ATOM 0 HB3 TYR A 59 6.041 -3.146 -8.792 1.00 21.22 H new ATOM 0 HD1 TYR A 59 5.877 -6.179 -8.501 1.00 43.41 H new ATOM 0 HD2 TYR A 59 2.844 -3.232 -9.021 1.00 24.22 H new ATOM 0 HE1 TYR A 59 4.426 -7.859 -9.550 1.00 61.23 H new ATOM 0 HE2 TYR A 59 1.388 -4.912 -10.063 1.00 34.11 H new ATOM 0 HH TYR A 59 1.154 -7.012 -10.704 1.00 72.00 H new ATOM 861 N ASP A 60 7.370 -1.992 -6.628 1.00 45.40 N ATOM 862 CA ASP A 60 7.899 -0.834 -5.915 1.00 32.10 C ATOM 863 C ASP A 60 7.029 0.396 -6.154 1.00 62.11 C ATOM 864 O ASP A 60 6.831 0.818 -7.294 1.00 75.52 O ATOM 865 CB ASP A 60 9.336 -0.550 -6.357 1.00 65.13 C ATOM 866 CG ASP A 60 9.988 0.544 -5.535 1.00 11.42 C ATOM 867 OD1 ASP A 60 9.900 0.484 -4.291 1.00 53.30 O ATOM 868 OD2 ASP A 60 10.585 1.462 -6.137 1.00 52.35 O ATOM 0 H ASP A 60 7.578 -2.004 -7.627 1.00 45.40 H new ATOM 0 HA ASP A 60 7.892 -1.060 -4.849 1.00 32.10 H new ATOM 0 HB2 ASP A 60 9.926 -1.463 -6.275 1.00 65.13 H new ATOM 0 HB3 ASP A 60 9.340 -0.262 -7.408 1.00 65.13 H new ATOM 872 N TYR A 61 6.510 0.966 -5.073 1.00 62.21 N ATOM 873 CA TYR A 61 5.657 2.145 -5.164 1.00 11.40 C ATOM 874 C TYR A 61 6.194 3.275 -4.292 1.00 52.23 C ATOM 875 O TYR A 61 7.043 3.056 -3.429 1.00 54.31 O ATOM 876 CB TYR A 61 4.227 1.800 -4.747 1.00 64.45 C ATOM 877 CG TYR A 61 3.254 2.945 -4.911 1.00 10.43 C ATOM 878 CD1 TYR A 61 3.205 3.979 -3.983 1.00 51.33 C ATOM 879 CD2 TYR A 61 2.384 2.995 -5.993 1.00 61.14 C ATOM 880 CE1 TYR A 61 2.318 5.028 -4.128 1.00 73.04 C ATOM 881 CE2 TYR A 61 1.494 4.041 -6.146 1.00 33.23 C ATOM 882 CZ TYR A 61 1.465 5.055 -5.211 1.00 12.13 C ATOM 883 OH TYR A 61 0.581 6.098 -5.361 1.00 65.43 O ATOM 0 H TYR A 61 6.665 0.631 -4.122 1.00 62.21 H new ATOM 0 HA TYR A 61 5.655 2.480 -6.201 1.00 11.40 H new ATOM 0 HB2 TYR A 61 3.880 0.952 -5.338 1.00 64.45 H new ATOM 0 HB3 TYR A 61 4.228 1.482 -3.704 1.00 64.45 H new ATOM 0 HD1 TYR A 61 3.872 3.962 -3.134 1.00 51.33 H new ATOM 0 HD2 TYR A 61 2.404 2.203 -6.727 1.00 61.14 H new ATOM 0 HE1 TYR A 61 2.293 5.823 -3.397 1.00 73.04 H new ATOM 0 HE2 TYR A 61 0.825 4.065 -6.993 1.00 33.23 H new ATOM 0 HH TYR A 61 0.895 6.869 -4.844 1.00 65.43 H new ATOM 892 N GLN A 62 5.691 4.483 -4.524 1.00 20.23 N ATOM 893 CA GLN A 62 6.120 5.649 -3.759 1.00 30.34 C ATOM 894 C GLN A 62 5.012 6.694 -3.693 1.00 12.13 C ATOM 895 O GLN A 62 4.692 7.337 -4.693 1.00 34.43 O ATOM 896 CB GLN A 62 7.377 6.259 -4.383 1.00 54.21 C ATOM 897 CG GLN A 62 8.514 6.452 -3.392 1.00 0.42 C ATOM 898 CD GLN A 62 8.332 7.685 -2.529 1.00 73.12 C ATOM 899 OE1 GLN A 62 7.176 7.792 -1.885 1.00 43.42 O flip ATOM 900 NE2 GLN A 62 9.222 8.532 -2.441 1.00 45.10 N flip ATOM 0 H GLN A 62 4.987 4.680 -5.235 1.00 20.23 H new ATOM 0 HA GLN A 62 6.348 5.324 -2.744 1.00 30.34 H new ATOM 0 HB2 GLN A 62 7.718 5.617 -5.195 1.00 54.21 H new ATOM 0 HB3 GLN A 62 7.123 7.223 -4.824 1.00 54.21 H new ATOM 0 HG2 GLN A 62 8.586 5.573 -2.752 1.00 0.42 H new ATOM 0 HG3 GLN A 62 9.456 6.529 -3.936 1.00 0.42 H new ATOM 0 HE21 GLN A 62 10.095 8.409 -2.954 1.00 45.10 H new ATOM 0 HE22 GLN A 62 9.086 9.356 -1.855 1.00 45.10 H new ATOM 907 N GLU A 63 4.430 6.860 -2.510 1.00 72.23 N ATOM 908 CA GLU A 63 3.357 7.827 -2.314 1.00 32.11 C ATOM 909 C GLU A 63 3.886 9.102 -1.665 1.00 3.34 C ATOM 910 O GLU A 63 5.096 9.314 -1.582 1.00 23.20 O ATOM 911 CB GLU A 63 2.248 7.224 -1.451 1.00 43.24 C ATOM 912 CG GLU A 63 0.854 7.428 -2.020 1.00 63.32 C ATOM 913 CD GLU A 63 0.737 8.700 -2.836 1.00 52.12 C ATOM 914 OE1 GLU A 63 0.476 9.766 -2.239 1.00 34.34 O ATOM 915 OE2 GLU A 63 0.907 8.631 -4.071 1.00 31.23 O ATOM 0 H GLU A 63 4.684 6.337 -1.672 1.00 72.23 H new ATOM 0 HA GLU A 63 2.948 8.081 -3.292 1.00 32.11 H new ATOM 0 HB2 GLU A 63 2.431 6.156 -1.334 1.00 43.24 H new ATOM 0 HB3 GLU A 63 2.293 7.666 -0.456 1.00 43.24 H new ATOM 0 HG2 GLU A 63 0.593 6.574 -2.645 1.00 63.32 H new ATOM 0 HG3 GLU A 63 0.133 7.457 -1.203 1.00 63.32 H new ATOM 920 N SER A 64 2.970 9.950 -1.208 1.00 54.23 N ATOM 921 CA SER A 64 3.343 11.207 -0.570 1.00 41.22 C ATOM 922 C SER A 64 2.139 11.847 0.116 1.00 32.03 C ATOM 923 O SER A 64 1.250 12.385 -0.542 1.00 23.12 O ATOM 924 CB SER A 64 3.929 12.172 -1.602 1.00 1.52 C ATOM 925 OG SER A 64 4.241 13.422 -1.011 1.00 11.50 O ATOM 0 H SER A 64 1.964 9.789 -1.268 1.00 54.23 H new ATOM 0 HA SER A 64 4.098 10.992 0.186 1.00 41.22 H new ATOM 0 HB2 SER A 64 4.828 11.739 -2.040 1.00 1.52 H new ATOM 0 HB3 SER A 64 3.217 12.318 -2.414 1.00 1.52 H new ATOM 0 HG SER A 64 4.615 14.021 -1.690 1.00 11.50 H new ATOM 930 N GLY A 65 2.119 11.782 1.443 1.00 44.41 N ATOM 931 CA GLY A 65 1.021 12.358 2.198 1.00 30.42 C ATOM 932 C GLY A 65 -0.303 11.680 1.903 1.00 2.32 C ATOM 933 O GLY A 65 -0.753 11.652 0.757 1.00 42.04 O ATOM 0 H GLY A 65 2.843 11.341 2.009 1.00 44.41 H new ATOM 0 HA2 GLY A 65 1.236 12.280 3.264 1.00 30.42 H new ATOM 0 HA3 GLY A 65 0.942 13.420 1.966 1.00 30.42 H new ATOM 937 N ASP A 66 -0.928 11.131 2.939 1.00 34.42 N ATOM 938 CA ASP A 66 -2.207 10.448 2.786 1.00 4.22 C ATOM 939 C ASP A 66 -3.075 11.148 1.745 1.00 1.14 C ATOM 940 O ASP A 66 -3.647 12.204 2.009 1.00 4.52 O ATOM 941 CB ASP A 66 -2.942 10.391 4.126 1.00 24.20 C ATOM 942 CG ASP A 66 -3.338 11.766 4.629 1.00 34.32 C ATOM 943 OD1 ASP A 66 -2.497 12.425 5.277 1.00 12.13 O ATOM 944 OD2 ASP A 66 -4.487 12.182 4.374 1.00 13.22 O ATOM 0 H ASP A 66 -0.569 11.146 3.894 1.00 34.42 H new ATOM 0 HA ASP A 66 -2.010 9.432 2.445 1.00 4.22 H new ATOM 0 HB2 ASP A 66 -3.835 9.775 4.021 1.00 24.20 H new ATOM 0 HB3 ASP A 66 -2.305 9.906 4.866 1.00 24.20 H new ATOM 948 N ASN A 67 -3.167 10.551 0.561 1.00 3.31 N ATOM 949 CA ASN A 67 -3.965 11.119 -0.520 1.00 14.22 C ATOM 950 C ASN A 67 -5.012 10.121 -1.005 1.00 11.44 C ATOM 951 O ASN A 67 -4.733 8.931 -1.143 1.00 21.54 O ATOM 952 CB ASN A 67 -3.062 11.533 -1.684 1.00 14.33 C ATOM 953 CG ASN A 67 -2.075 12.616 -1.293 1.00 14.21 C ATOM 954 OD1 ASN A 67 -0.891 12.541 -1.623 1.00 0.33 O ATOM 955 ND2 ASN A 67 -2.558 13.630 -0.585 1.00 41.00 N ATOM 0 H ASN A 67 -2.700 9.675 0.326 1.00 3.31 H new ATOM 0 HA ASN A 67 -4.479 12.000 -0.135 1.00 14.22 H new ATOM 0 HB2 ASN A 67 -2.516 10.661 -2.045 1.00 14.33 H new ATOM 0 HB3 ASN A 67 -3.678 11.888 -2.510 1.00 14.33 H new ATOM 0 HD21 ASN A 67 -1.941 14.388 -0.293 1.00 41.00 H new ATOM 0 HD22 ASN A 67 -3.546 13.651 -0.334 1.00 41.00 H new ATOM 961 N ALA A 68 -6.218 10.617 -1.263 1.00 54.01 N ATOM 962 CA ALA A 68 -7.307 9.771 -1.735 1.00 34.34 C ATOM 963 C ALA A 68 -7.116 9.396 -3.201 1.00 51.43 C ATOM 964 O ALA A 68 -6.717 10.216 -4.029 1.00 61.43 O ATOM 965 CB ALA A 68 -8.643 10.470 -1.537 1.00 32.23 C ATOM 0 H ALA A 68 -6.465 11.600 -1.153 1.00 54.01 H new ATOM 0 HA ALA A 68 -7.300 8.852 -1.148 1.00 34.34 H new ATOM 0 HB1 ALA A 68 -9.447 9.826 -1.894 1.00 32.23 H new ATOM 0 HB2 ALA A 68 -8.790 10.680 -0.478 1.00 32.23 H new ATOM 0 HB3 ALA A 68 -8.651 11.405 -2.097 1.00 32.23 H new ATOM 971 N PRO A 69 -7.404 8.129 -3.532 1.00 13.22 N ATOM 972 CA PRO A 69 -7.271 7.617 -4.899 1.00 12.25 C ATOM 973 C PRO A 69 -8.316 8.204 -5.842 1.00 15.42 C ATOM 974 O PRO A 69 -9.325 7.566 -6.140 1.00 60.32 O ATOM 975 CB PRO A 69 -7.484 6.111 -4.736 1.00 34.22 C ATOM 976 CG PRO A 69 -8.308 5.975 -3.503 1.00 74.04 C ATOM 977 CD PRO A 69 -7.883 7.098 -2.596 1.00 30.42 C ATOM 0 HA PRO A 69 -6.310 7.880 -5.341 1.00 12.25 H new ATOM 0 HB2 PRO A 69 -7.994 5.688 -5.601 1.00 34.22 H new ATOM 0 HB3 PRO A 69 -6.534 5.585 -4.637 1.00 34.22 H new ATOM 0 HG2 PRO A 69 -9.371 6.041 -3.735 1.00 74.04 H new ATOM 0 HG3 PRO A 69 -8.145 5.007 -3.029 1.00 74.04 H new ATOM 0 HD2 PRO A 69 -8.713 7.460 -1.989 1.00 30.42 H new ATOM 0 HD3 PRO A 69 -7.098 6.784 -1.908 1.00 30.42 H new ATOM 982 N SER A 70 -8.067 9.424 -6.309 1.00 64.03 N ATOM 983 CA SER A 70 -8.988 10.098 -7.215 1.00 3.30 C ATOM 984 C SER A 70 -8.636 9.799 -8.669 1.00 64.21 C ATOM 985 O SER A 70 -9.319 10.250 -9.590 1.00 51.42 O ATOM 986 CB SER A 70 -8.961 11.609 -6.973 1.00 64.34 C ATOM 987 OG SER A 70 -7.716 12.165 -7.356 1.00 4.04 O ATOM 0 H SER A 70 -7.235 9.965 -6.074 1.00 64.03 H new ATOM 0 HA SER A 70 -9.992 9.723 -7.017 1.00 3.30 H new ATOM 0 HB2 SER A 70 -9.764 12.085 -7.536 1.00 64.34 H new ATOM 0 HB3 SER A 70 -9.146 11.815 -5.919 1.00 64.34 H new ATOM 0 HG SER A 70 -7.725 13.131 -7.193 1.00 4.04 H new ATOM 992 N TYR A 71 -7.568 9.036 -8.867 1.00 21.43 N ATOM 993 CA TYR A 71 -7.123 8.677 -10.208 1.00 13.34 C ATOM 994 C TYR A 71 -6.827 7.184 -10.303 1.00 61.42 C ATOM 995 O TYR A 71 -6.830 6.473 -9.298 1.00 45.13 O ATOM 996 CB TYR A 71 -5.877 9.479 -10.586 1.00 11.23 C ATOM 997 CG TYR A 71 -4.830 9.522 -9.497 1.00 41.45 C ATOM 998 CD1 TYR A 71 -4.346 8.352 -8.924 1.00 24.01 C ATOM 999 CD2 TYR A 71 -4.323 10.732 -9.039 1.00 50.31 C ATOM 1000 CE1 TYR A 71 -3.391 8.386 -7.927 1.00 72.15 C ATOM 1001 CE2 TYR A 71 -3.366 10.776 -8.044 1.00 11.13 C ATOM 1002 CZ TYR A 71 -2.904 9.601 -7.490 1.00 32.32 C ATOM 1003 OH TYR A 71 -1.950 9.638 -6.499 1.00 1.41 O ATOM 0 H TYR A 71 -6.994 8.654 -8.116 1.00 21.43 H new ATOM 0 HA TYR A 71 -7.927 8.915 -10.905 1.00 13.34 H new ATOM 0 HB2 TYR A 71 -5.436 9.047 -11.485 1.00 11.23 H new ATOM 0 HB3 TYR A 71 -6.173 10.498 -10.834 1.00 11.23 H new ATOM 0 HD1 TYR A 71 -4.723 7.399 -9.265 1.00 24.01 H new ATOM 0 HD2 TYR A 71 -4.684 11.655 -9.469 1.00 50.31 H new ATOM 0 HE1 TYR A 71 -3.027 7.467 -7.492 1.00 72.15 H new ATOM 0 HE2 TYR A 71 -2.982 11.726 -7.702 1.00 11.13 H new ATOM 0 HH TYR A 71 -1.713 10.569 -6.308 1.00 1.41 H new ATOM 1012 N SER A 72 -6.573 6.713 -11.520 1.00 15.32 N ATOM 1013 CA SER A 72 -6.278 5.304 -11.749 1.00 40.23 C ATOM 1014 C SER A 72 -4.889 4.947 -11.227 1.00 35.33 C ATOM 1015 O SER A 72 -3.996 5.790 -11.140 1.00 74.22 O ATOM 1016 CB SER A 72 -6.374 4.976 -13.240 1.00 3.21 C ATOM 1017 OG SER A 72 -7.708 4.673 -13.611 1.00 10.10 O ATOM 0 H SER A 72 -6.566 7.287 -12.363 1.00 15.32 H new ATOM 0 HA SER A 72 -7.015 4.712 -11.206 1.00 40.23 H new ATOM 0 HB2 SER A 72 -6.014 5.822 -13.826 1.00 3.21 H new ATOM 0 HB3 SER A 72 -5.728 4.129 -13.472 1.00 3.21 H new ATOM 0 HG SER A 72 -7.743 4.469 -14.569 1.00 10.10 H new ATOM 1022 N PRO A 73 -4.702 3.667 -10.871 1.00 12.03 N ATOM 1023 CA PRO A 73 -3.426 3.169 -10.352 1.00 74.43 C ATOM 1024 C PRO A 73 -2.339 3.132 -11.421 1.00 33.45 C ATOM 1025 O PRO A 73 -2.605 2.913 -12.604 1.00 25.04 O ATOM 1026 CB PRO A 73 -3.763 1.751 -9.883 1.00 32.31 C ATOM 1027 CG PRO A 73 -4.938 1.350 -10.706 1.00 33.33 C ATOM 1028 CD PRO A 73 -5.723 2.609 -10.949 1.00 0.10 C ATOM 0 HA PRO A 73 -3.028 3.810 -9.565 1.00 74.43 H new ATOM 0 HB2 PRO A 73 -2.923 1.073 -10.035 1.00 32.31 H new ATOM 0 HB3 PRO A 73 -3.999 1.731 -8.819 1.00 32.31 H new ATOM 0 HG2 PRO A 73 -4.620 0.901 -11.647 1.00 33.33 H new ATOM 0 HG3 PRO A 73 -5.543 0.607 -10.186 1.00 33.33 H new ATOM 0 HD2 PRO A 73 -6.214 2.595 -11.922 1.00 0.10 H new ATOM 0 HD3 PRO A 73 -6.503 2.747 -10.200 1.00 0.10 H new ATOM 1033 N PRO A 74 -1.085 3.350 -11.001 1.00 55.32 N ATOM 1034 CA PRO A 74 0.067 3.346 -11.907 1.00 60.30 C ATOM 1035 C PRO A 74 0.383 1.950 -12.436 1.00 4.54 C ATOM 1036 O PRO A 74 0.125 0.940 -11.784 1.00 5.11 O ATOM 1037 CB PRO A 74 1.211 3.857 -11.029 1.00 14.20 C ATOM 1038 CG PRO A 74 0.806 3.511 -9.638 1.00 22.53 C ATOM 1039 CD PRO A 74 -0.694 3.617 -9.606 1.00 11.20 C ATOM 0 HA PRO A 74 -0.110 3.953 -12.795 1.00 60.30 H new ATOM 0 HB2 PRO A 74 2.156 3.384 -11.295 1.00 14.20 H new ATOM 0 HB3 PRO A 74 1.349 4.932 -11.145 1.00 14.20 H new ATOM 0 HG2 PRO A 74 1.132 2.505 -9.375 1.00 22.53 H new ATOM 0 HG3 PRO A 74 1.261 4.191 -8.918 1.00 22.53 H new ATOM 0 HD2 PRO A 74 -1.133 2.893 -8.920 1.00 11.20 H new ATOM 0 HD3 PRO A 74 -1.020 4.604 -9.279 1.00 11.20 H new ATOM 1044 N PRO A 75 0.956 1.892 -13.648 1.00 42.42 N ATOM 1045 CA PRO A 75 1.322 0.627 -14.291 1.00 64.31 C ATOM 1046 C PRO A 75 2.492 -0.061 -13.595 1.00 10.44 C ATOM 1047 O PRO A 75 3.557 0.525 -13.395 1.00 24.52 O ATOM 1048 CB PRO A 75 1.715 1.049 -15.708 1.00 41.40 C ATOM 1049 CG PRO A 75 2.143 2.469 -15.575 1.00 53.50 C ATOM 1050 CD PRO A 75 1.294 3.058 -14.483 1.00 65.41 C ATOM 0 HA PRO A 75 0.508 -0.097 -14.258 1.00 64.31 H new ATOM 0 HB2 PRO A 75 2.521 0.427 -16.097 1.00 41.40 H new ATOM 0 HB3 PRO A 75 0.876 0.951 -16.397 1.00 41.40 H new ATOM 0 HG2 PRO A 75 3.202 2.535 -15.325 1.00 53.50 H new ATOM 0 HG3 PRO A 75 2.003 3.008 -16.512 1.00 53.50 H new ATOM 0 HD2 PRO A 75 1.836 3.815 -13.916 1.00 65.41 H new ATOM 0 HD3 PRO A 75 0.401 3.538 -14.883 1.00 65.41 H new ATOM 1055 N PRO A 76 2.293 -1.332 -13.218 1.00 44.00 N ATOM 1056 CA PRO A 76 3.322 -2.126 -12.539 1.00 23.15 C ATOM 1057 C PRO A 76 4.484 -2.479 -13.462 1.00 4.33 C ATOM 1058 O PRO A 76 4.429 -2.275 -14.675 1.00 3.44 O ATOM 1059 CB PRO A 76 2.572 -3.392 -12.117 1.00 31.31 C ATOM 1060 CG PRO A 76 1.442 -3.503 -13.083 1.00 60.03 C ATOM 1061 CD PRO A 76 1.049 -2.093 -13.424 1.00 11.52 C ATOM 0 HA PRO A 76 3.773 -1.584 -11.708 1.00 23.15 H new ATOM 0 HB2 PRO A 76 3.218 -4.268 -12.162 1.00 31.31 H new ATOM 0 HB3 PRO A 76 2.210 -3.315 -11.092 1.00 31.31 H new ATOM 0 HG2 PRO A 76 1.744 -4.051 -13.976 1.00 60.03 H new ATOM 0 HG3 PRO A 76 0.605 -4.046 -12.644 1.00 60.03 H new ATOM 0 HD2 PRO A 76 0.694 -2.012 -14.451 1.00 11.52 H new ATOM 0 HD3 PRO A 76 0.246 -1.733 -12.780 1.00 11.52 H new ATOM 1066 N PRO A 77 5.562 -3.022 -12.877 1.00 0.42 N ATOM 1067 CA PRO A 77 6.757 -3.414 -13.629 1.00 72.51 C ATOM 1068 C PRO A 77 6.509 -4.627 -14.520 1.00 63.43 C ATOM 1069 O PRO A 77 7.436 -5.165 -15.126 1.00 4.22 O ATOM 1070 CB PRO A 77 7.770 -3.755 -12.532 1.00 30.12 C ATOM 1071 CG PRO A 77 6.940 -4.135 -11.355 1.00 23.34 C ATOM 1072 CD PRO A 77 5.696 -3.294 -11.436 1.00 3.30 C ATOM 0 HA PRO A 77 7.089 -2.627 -14.306 1.00 72.51 H new ATOM 0 HB2 PRO A 77 8.423 -4.573 -12.837 1.00 30.12 H new ATOM 0 HB3 PRO A 77 8.411 -2.903 -12.306 1.00 30.12 H new ATOM 0 HG2 PRO A 77 6.695 -5.197 -11.377 1.00 23.34 H new ATOM 0 HG3 PRO A 77 7.476 -3.950 -10.424 1.00 23.34 H new ATOM 0 HD2 PRO A 77 4.827 -3.823 -11.044 1.00 3.30 H new ATOM 0 HD3 PRO A 77 5.795 -2.373 -10.861 1.00 3.30 H new