USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 444 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 ASN : amide:sc= 0.139 X(o=0.14,f=-0.076) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -174:sc= -0.521 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= -0.143 (180deg=-0.253) USER MOD Single : A 19 GLN : amide:sc= 0.11 K(o=0.11,f=-2.8!) USER MOD Single : A 21 ASN : amide:sc= 0.189 K(o=0.19,f=-4.8!) USER MOD Single : A 26 MET CE :methyl -176:sc= -1.63 (180deg=-1.86) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 1.69 (180deg=1.04) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= -0.225 (180deg=-1.27) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.016) USER MOD Single : A 60 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.277 -11.094 -2.310 1.00 0.00 N ATOM 67 CA ASN A 8 3.062 -10.031 -1.695 1.00 0.00 C ATOM 68 C ASN A 8 2.192 -9.168 -0.786 1.00 0.00 C ATOM 69 O ASN A 8 1.036 -8.882 -1.102 1.00 0.00 O ATOM 70 CB ASN A 8 3.714 -9.161 -2.771 1.00 0.00 C ATOM 71 CG ASN A 8 2.874 -9.074 -4.031 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.354 -9.350 -5.131 1.00 0.00 O ATOM 73 ND2 ASN A 8 1.613 -8.688 -3.876 1.00 0.00 N ATOM 0 HA ASN A 8 3.842 -10.494 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.875 -8.158 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.695 -9.568 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.000 -8.610 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.257 -8.469 -2.945 1.00 0.00 H new ATOM 80 N THR A 9 2.755 -8.755 0.345 1.00 0.00 N ATOM 81 CA THR A 9 2.031 -7.925 1.301 1.00 0.00 C ATOM 82 C THR A 9 2.877 -6.740 1.751 1.00 0.00 C ATOM 83 O THR A 9 4.106 -6.810 1.761 1.00 0.00 O ATOM 84 CB THR A 9 1.604 -8.736 2.539 1.00 0.00 C ATOM 85 OG1 THR A 9 2.691 -9.552 2.989 1.00 0.00 O ATOM 86 CG2 THR A 9 0.402 -9.614 2.223 1.00 0.00 C ATOM 0 H THR A 9 3.710 -8.982 0.622 1.00 0.00 H new ATOM 0 HA THR A 9 1.140 -7.559 0.791 1.00 0.00 H new ATOM 0 HB THR A 9 1.326 -8.035 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.412 -10.063 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.119 -10.177 3.112 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.433 -8.988 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.658 -10.307 1.421 1.00 0.00 H new ATOM 94 N TYR A 10 2.211 -5.652 2.123 1.00 0.00 N ATOM 95 CA TYR A 10 2.903 -4.450 2.573 1.00 0.00 C ATOM 96 C TYR A 10 2.066 -3.691 3.599 1.00 0.00 C ATOM 97 O TYR A 10 0.912 -3.347 3.343 1.00 0.00 O ATOM 98 CB TYR A 10 3.218 -3.541 1.383 1.00 0.00 C ATOM 99 CG TYR A 10 4.319 -4.070 0.493 1.00 0.00 C ATOM 100 CD1 TYR A 10 4.103 -5.162 -0.340 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.576 -3.477 0.483 1.00 0.00 C ATOM 102 CE1 TYR A 10 5.107 -5.648 -1.154 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.585 -3.957 -0.330 1.00 0.00 C ATOM 104 CZ TYR A 10 6.346 -5.042 -1.146 1.00 0.00 C ATOM 105 OH TYR A 10 7.348 -5.524 -1.957 1.00 0.00 O ATOM 0 H TYR A 10 1.194 -5.578 2.122 1.00 0.00 H new ATOM 0 HA TYR A 10 3.836 -4.755 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.314 -3.408 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.503 -2.557 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.134 -5.638 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.767 -2.627 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.923 -6.498 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.556 -3.484 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 10 8.183 -5.048 -1.764 1.00 0.00 H new ATOM 115 N VAL A 11 2.656 -3.433 4.761 1.00 0.00 N ATOM 116 CA VAL A 11 1.968 -2.714 5.826 1.00 0.00 C ATOM 117 C VAL A 11 2.268 -1.221 5.764 1.00 0.00 C ATOM 118 O VAL A 11 3.376 -0.814 5.416 1.00 0.00 O ATOM 119 CB VAL A 11 2.366 -3.250 7.214 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.867 -3.122 7.425 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.601 -2.518 8.307 1.00 0.00 C ATOM 0 H VAL A 11 3.610 -3.712 4.989 1.00 0.00 H new ATOM 0 HA VAL A 11 0.900 -2.873 5.676 1.00 0.00 H new ATOM 0 HB VAL A 11 2.105 -4.307 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.130 -3.506 8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.392 -3.695 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.156 -2.073 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.894 -2.909 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.829 -1.453 8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.531 -2.666 8.164 1.00 0.00 H new ATOM 131 N ALA A 12 1.273 -0.408 6.106 1.00 0.00 N ATOM 132 CA ALA A 12 1.432 1.041 6.092 1.00 0.00 C ATOM 133 C ALA A 12 2.157 1.526 7.342 1.00 0.00 C ATOM 134 O ALA A 12 1.726 1.260 8.465 1.00 0.00 O ATOM 135 CB ALA A 12 0.075 1.719 5.970 1.00 0.00 C ATOM 0 H ALA A 12 0.349 -0.728 6.396 1.00 0.00 H new ATOM 0 HA ALA A 12 2.039 1.307 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.208 2.801 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.407 1.405 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.550 1.438 6.818 1.00 0.00 H new ATOM 141 N LEU A 13 3.261 2.238 7.141 1.00 0.00 N ATOM 142 CA LEU A 13 4.047 2.760 8.253 1.00 0.00 C ATOM 143 C LEU A 13 3.366 3.971 8.881 1.00 0.00 C ATOM 144 O LEU A 13 3.207 4.045 10.099 1.00 0.00 O ATOM 145 CB LEU A 13 5.451 3.139 7.777 1.00 0.00 C ATOM 146 CG LEU A 13 6.235 2.041 7.058 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.331 2.647 6.195 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.824 1.062 8.063 1.00 0.00 C ATOM 0 H LEU A 13 3.632 2.467 6.219 1.00 0.00 H new ATOM 0 HA LEU A 13 4.125 1.979 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.367 3.995 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.030 3.465 8.641 1.00 0.00 H new ATOM 0 HG LEU A 13 5.550 1.496 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.879 1.851 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.885 3.308 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.016 3.217 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.379 0.287 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.496 1.593 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.020 0.604 8.639 1.00 0.00 H new ATOM 160 N TYR A 14 2.963 4.918 8.041 1.00 0.00 N ATOM 161 CA TYR A 14 2.299 6.127 8.513 1.00 0.00 C ATOM 162 C TYR A 14 0.986 6.353 7.769 1.00 0.00 C ATOM 163 O TYR A 14 0.694 5.680 6.780 1.00 0.00 O ATOM 164 CB TYR A 14 3.213 7.340 8.334 1.00 0.00 C ATOM 165 CG TYR A 14 4.672 7.042 8.597 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.495 6.558 7.588 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.228 7.243 9.855 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.829 6.283 7.823 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.560 6.973 10.099 1.00 0.00 C ATOM 170 CZ TYR A 14 7.356 6.493 9.080 1.00 0.00 C ATOM 171 OH TYR A 14 8.684 6.221 9.319 1.00 0.00 O ATOM 0 H TYR A 14 3.085 4.872 7.029 1.00 0.00 H new ATOM 0 HA TYR A 14 2.079 5.999 9.573 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.106 7.719 7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.886 8.133 9.006 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.085 6.394 6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.607 7.617 10.656 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.455 5.906 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.976 7.137 11.082 1.00 0.00 H new ATOM 0 HH TYR A 14 8.896 6.424 10.254 1.00 0.00 H new ATOM 181 N LYS A 15 0.196 7.305 8.253 1.00 0.00 N ATOM 182 CA LYS A 15 -1.086 7.624 7.635 1.00 0.00 C ATOM 183 C LYS A 15 -0.893 8.500 6.402 1.00 0.00 C ATOM 184 O LYS A 15 -0.358 9.606 6.491 1.00 0.00 O ATOM 185 CB LYS A 15 -1.998 8.332 8.640 1.00 0.00 C ATOM 186 CG LYS A 15 -3.195 9.013 8.000 1.00 0.00 C ATOM 187 CD LYS A 15 -3.937 9.887 8.996 1.00 0.00 C ATOM 188 CE LYS A 15 -4.679 11.019 8.301 1.00 0.00 C ATOM 189 NZ LYS A 15 -3.824 12.228 8.145 1.00 0.00 N ATOM 0 H LYS A 15 0.421 7.870 9.072 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.554 6.690 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.352 7.605 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.416 9.075 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.862 9.621 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.873 8.259 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.645 9.278 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.230 10.301 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.017 10.684 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.570 11.275 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.315 12.926 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.634 12.642 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.925 11.962 7.695 1.00 0.00 H new ATOM 203 N PHE A 16 -1.333 8.001 5.252 1.00 0.00 N ATOM 204 CA PHE A 16 -1.209 8.739 4.000 1.00 0.00 C ATOM 205 C PHE A 16 -2.456 9.579 3.739 1.00 0.00 C ATOM 206 O PHE A 16 -3.573 9.169 4.057 1.00 0.00 O ATOM 207 CB PHE A 16 -0.976 7.775 2.836 1.00 0.00 C ATOM 208 CG PHE A 16 -0.667 8.465 1.538 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.688 8.869 0.693 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.644 8.712 1.165 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.406 9.504 -0.502 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.932 9.347 -0.029 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.094 9.744 -0.863 1.00 0.00 C ATOM 0 H PHE A 16 -1.779 7.088 5.161 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.353 9.408 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.153 7.107 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.862 7.154 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.715 8.686 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.451 8.405 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.211 9.812 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.959 9.532 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.128 10.241 -1.796 1.00 0.00 H new ATOM 223 N VAL A 17 -2.257 10.757 3.156 1.00 0.00 N ATOM 224 CA VAL A 17 -3.364 11.655 2.850 1.00 0.00 C ATOM 225 C VAL A 17 -3.440 11.945 1.355 1.00 0.00 C ATOM 226 O VAL A 17 -2.752 12.821 0.832 1.00 0.00 O ATOM 227 CB VAL A 17 -3.234 12.987 3.614 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.376 13.924 3.252 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.194 12.738 5.114 1.00 0.00 C ATOM 0 H VAL A 17 -1.339 11.112 2.886 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.277 11.151 3.166 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.298 13.464 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.267 14.859 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.354 14.127 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.326 13.458 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.102 13.689 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.112 12.240 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.339 12.106 5.355 1.00 0.00 H new ATOM 239 N PRO A 18 -4.298 11.193 0.650 1.00 0.00 N ATOM 240 CA PRO A 18 -4.485 11.351 -0.795 1.00 0.00 C ATOM 241 C PRO A 18 -5.188 12.657 -1.149 1.00 0.00 C ATOM 242 O PRO A 18 -6.367 12.839 -0.849 1.00 0.00 O ATOM 243 CB PRO A 18 -5.361 10.153 -1.172 1.00 0.00 C ATOM 244 CG PRO A 18 -6.091 9.808 0.080 1.00 0.00 C ATOM 245 CD PRO A 18 -5.150 10.130 1.209 1.00 0.00 C ATOM 0 HA PRO A 18 -3.535 11.386 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.052 10.405 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.757 9.316 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.014 10.382 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.369 8.754 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.687 10.469 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.564 9.260 1.505 1.00 0.00 H new ATOM 253 N GLN A 19 -4.456 13.563 -1.790 1.00 0.00 N ATOM 254 CA GLN A 19 -5.010 14.852 -2.184 1.00 0.00 C ATOM 255 C GLN A 19 -6.119 14.676 -3.216 1.00 0.00 C ATOM 256 O GLN A 19 -7.119 15.392 -3.194 1.00 0.00 O ATOM 257 CB GLN A 19 -3.910 15.753 -2.749 1.00 0.00 C ATOM 258 CG GLN A 19 -3.081 16.445 -1.680 1.00 0.00 C ATOM 259 CD GLN A 19 -2.071 15.519 -1.033 1.00 0.00 C ATOM 260 OE1 GLN A 19 -1.662 14.518 -1.623 1.00 0.00 O ATOM 261 NE2 GLN A 19 -1.661 15.847 0.187 1.00 0.00 N ATOM 0 H GLN A 19 -3.478 13.428 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.435 15.322 -1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.250 15.156 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.364 16.508 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.559 17.293 -2.123 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.745 16.845 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.026 16.685 0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.981 15.261 0.672 1.00 0.00 H new ATOM 270 N GLU A 20 -5.934 13.717 -4.118 1.00 0.00 N ATOM 271 CA GLU A 20 -6.919 13.449 -5.159 1.00 0.00 C ATOM 272 C GLU A 20 -7.363 11.989 -5.124 1.00 0.00 C ATOM 273 O GLU A 20 -6.652 11.125 -4.611 1.00 0.00 O ATOM 274 CB GLU A 20 -6.345 13.786 -6.536 1.00 0.00 C ATOM 275 CG GLU A 20 -6.332 15.274 -6.842 1.00 0.00 C ATOM 276 CD GLU A 20 -7.721 15.832 -7.083 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.407 16.163 -6.093 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.123 15.938 -8.261 1.00 0.00 O ATOM 0 H GLU A 20 -5.112 13.114 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.788 14.080 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.327 13.402 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.929 13.272 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.869 15.808 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.714 15.455 -7.722 1.00 0.00 H new ATOM 285 N ASN A 21 -8.543 11.722 -5.674 1.00 0.00 N ATOM 286 CA ASN A 21 -9.082 10.367 -5.705 1.00 0.00 C ATOM 287 C ASN A 21 -8.009 9.363 -6.116 1.00 0.00 C ATOM 288 O ASN A 21 -7.799 8.355 -5.442 1.00 0.00 O ATOM 289 CB ASN A 21 -10.266 10.289 -6.672 1.00 0.00 C ATOM 290 CG ASN A 21 -11.385 11.239 -6.293 1.00 0.00 C ATOM 291 OD1 ASN A 21 -11.147 12.410 -5.994 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.615 10.739 -6.303 1.00 0.00 N ATOM 0 H ASN A 21 -9.144 12.425 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.424 10.116 -4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.923 10.519 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.650 9.269 -6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.408 11.331 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.767 9.763 -6.557 1.00 0.00 H new ATOM 299 N GLU A 22 -7.333 9.648 -7.224 1.00 0.00 N ATOM 300 CA GLU A 22 -6.282 8.770 -7.724 1.00 0.00 C ATOM 301 C GLU A 22 -5.471 8.183 -6.573 1.00 0.00 C ATOM 302 O GLU A 22 -5.235 6.975 -6.518 1.00 0.00 O ATOM 303 CB GLU A 22 -5.358 9.534 -8.675 1.00 0.00 C ATOM 304 CG GLU A 22 -6.084 10.169 -9.850 1.00 0.00 C ATOM 305 CD GLU A 22 -6.671 11.525 -9.509 1.00 0.00 C ATOM 306 OE1 GLU A 22 -5.934 12.530 -9.597 1.00 0.00 O ATOM 307 OE2 GLU A 22 -7.867 11.581 -9.154 1.00 0.00 O ATOM 0 H GLU A 22 -7.494 10.480 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.755 7.952 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.839 10.312 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.597 8.852 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.392 10.277 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.882 9.505 -10.181 1.00 0.00 H new ATOM 314 N ASP A 23 -5.046 9.045 -5.656 1.00 0.00 N ATOM 315 CA ASP A 23 -4.262 8.612 -4.505 1.00 0.00 C ATOM 316 C ASP A 23 -5.085 7.705 -3.596 1.00 0.00 C ATOM 317 O ASP A 23 -6.312 7.657 -3.695 1.00 0.00 O ATOM 318 CB ASP A 23 -3.760 9.824 -3.718 1.00 0.00 C ATOM 319 CG ASP A 23 -2.802 10.681 -4.523 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.274 11.601 -5.224 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.581 10.433 -4.451 1.00 0.00 O ATOM 0 H ASP A 23 -5.231 10.048 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.406 8.047 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.611 10.430 -3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.263 9.483 -2.810 1.00 0.00 H new ATOM 326 N LEU A 24 -4.403 6.987 -2.711 1.00 0.00 N ATOM 327 CA LEU A 24 -5.071 6.080 -1.784 1.00 0.00 C ATOM 328 C LEU A 24 -4.818 6.495 -0.338 1.00 0.00 C ATOM 329 O LEU A 24 -3.726 6.945 0.006 1.00 0.00 O ATOM 330 CB LEU A 24 -4.588 4.646 -2.006 1.00 0.00 C ATOM 331 CG LEU A 24 -4.777 3.684 -0.832 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.247 3.337 -0.657 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.950 2.424 -1.037 1.00 0.00 C ATOM 0 H LEU A 24 -3.388 7.015 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.143 6.130 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.110 4.238 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.528 4.676 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.431 4.177 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.362 2.652 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.815 4.247 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.620 2.863 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.097 1.751 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.264 1.928 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.895 2.689 -1.111 1.00 0.00 H new ATOM 345 N GLU A 25 -5.835 6.340 0.504 1.00 0.00 N ATOM 346 CA GLU A 25 -5.722 6.698 1.913 1.00 0.00 C ATOM 347 C GLU A 25 -5.465 5.461 2.769 1.00 0.00 C ATOM 348 O GLU A 25 -6.312 4.573 2.864 1.00 0.00 O ATOM 349 CB GLU A 25 -6.993 7.405 2.386 1.00 0.00 C ATOM 350 CG GLU A 25 -6.754 8.403 3.507 1.00 0.00 C ATOM 351 CD GLU A 25 -7.872 9.419 3.632 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.972 9.039 4.085 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.647 10.595 3.277 1.00 0.00 O ATOM 0 H GLU A 25 -6.746 5.969 0.235 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.876 7.377 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.446 7.923 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.710 6.657 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.649 7.866 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.813 8.924 3.330 1.00 0.00 H new ATOM 360 N MET A 26 -4.292 5.412 3.391 1.00 0.00 N ATOM 361 CA MET A 26 -3.924 4.285 4.240 1.00 0.00 C ATOM 362 C MET A 26 -3.502 4.764 5.626 1.00 0.00 C ATOM 363 O MET A 26 -3.044 5.895 5.789 1.00 0.00 O ATOM 364 CB MET A 26 -2.790 3.484 3.598 1.00 0.00 C ATOM 365 CG MET A 26 -1.725 4.352 2.947 1.00 0.00 C ATOM 366 SD MET A 26 -0.550 3.395 1.970 1.00 0.00 S ATOM 367 CE MET A 26 0.916 4.415 2.109 1.00 0.00 C ATOM 0 H MET A 26 -3.580 6.139 3.323 1.00 0.00 H new ATOM 0 HA MET A 26 -4.798 3.642 4.347 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.322 2.859 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.209 2.814 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.206 5.092 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.187 4.901 3.720 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.713 3.992 1.497 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.691 5.424 1.764 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.237 4.450 3.150 1.00 0.00 H new ATOM 377 N ARG A 27 -3.661 3.896 6.620 1.00 0.00 N ATOM 378 CA ARG A 27 -3.298 4.231 7.991 1.00 0.00 C ATOM 379 C ARG A 27 -2.178 3.325 8.495 1.00 0.00 C ATOM 380 O ARG A 27 -1.957 2.227 7.983 1.00 0.00 O ATOM 381 CB ARG A 27 -4.517 4.111 8.908 1.00 0.00 C ATOM 382 CG ARG A 27 -5.443 5.315 8.852 1.00 0.00 C ATOM 383 CD ARG A 27 -6.391 5.234 7.666 1.00 0.00 C ATOM 384 NE ARG A 27 -7.408 4.202 7.848 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.452 4.334 8.658 1.00 0.00 C ATOM 386 NH1 ARG A 27 -8.617 5.448 9.357 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.335 3.349 8.771 1.00 0.00 N ATOM 0 H ARG A 27 -4.039 2.956 6.501 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.942 5.261 8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.079 3.218 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.177 3.973 9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.019 5.376 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.851 6.228 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.876 6.200 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.821 5.026 6.760 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.311 3.332 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.941 6.207 9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.420 5.546 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.212 2.490 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.136 3.452 9.393 1.00 0.00 H new ATOM 401 N PRO A 28 -1.454 3.793 9.522 1.00 0.00 N ATOM 402 CA PRO A 28 -0.346 3.041 10.118 1.00 0.00 C ATOM 403 C PRO A 28 -0.825 1.814 10.886 1.00 0.00 C ATOM 404 O PRO A 28 -1.313 1.925 12.010 1.00 0.00 O ATOM 405 CB PRO A 28 0.298 4.052 11.070 1.00 0.00 C ATOM 406 CG PRO A 28 -0.798 5.003 11.409 1.00 0.00 C ATOM 407 CD PRO A 28 -1.663 5.093 10.183 1.00 0.00 C ATOM 0 HA PRO A 28 0.337 2.653 9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.688 3.563 11.963 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.135 4.565 10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.371 4.648 12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.397 5.981 11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.711 5.249 10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.366 5.923 9.541 1.00 0.00 H new ATOM 415 N GLY A 29 -0.681 0.643 10.273 1.00 0.00 N ATOM 416 CA GLY A 29 -1.104 -0.588 10.915 1.00 0.00 C ATOM 417 C GLY A 29 -1.999 -1.428 10.027 1.00 0.00 C ATOM 418 O GLY A 29 -2.225 -2.607 10.299 1.00 0.00 O ATOM 0 H GLY A 29 -0.279 0.525 9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.225 -1.169 11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.634 -0.349 11.837 1.00 0.00 H new ATOM 422 N ASP A 30 -2.512 -0.820 8.962 1.00 0.00 N ATOM 423 CA ASP A 30 -3.388 -1.520 8.031 1.00 0.00 C ATOM 424 C ASP A 30 -2.579 -2.369 7.055 1.00 0.00 C ATOM 425 O ASP A 30 -1.355 -2.247 6.980 1.00 0.00 O ATOM 426 CB ASP A 30 -4.252 -0.520 7.260 1.00 0.00 C ATOM 427 CG ASP A 30 -5.564 -0.228 7.960 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.564 -0.130 9.206 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.592 -0.096 7.263 1.00 0.00 O ATOM 0 H ASP A 30 -2.336 0.156 8.723 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.036 -2.180 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.698 0.410 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.455 -0.912 6.263 1.00 0.00 H new ATOM 434 N ILE A 31 -3.268 -3.227 6.313 1.00 0.00 N ATOM 435 CA ILE A 31 -2.613 -4.096 5.343 1.00 0.00 C ATOM 436 C ILE A 31 -2.942 -3.673 3.915 1.00 0.00 C ATOM 437 O ILE A 31 -4.077 -3.304 3.612 1.00 0.00 O ATOM 438 CB ILE A 31 -3.023 -5.568 5.537 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.719 -6.020 6.967 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.306 -6.455 4.531 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.250 -5.955 7.322 1.00 0.00 C ATOM 0 H ILE A 31 -4.280 -3.340 6.364 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.540 -4.001 5.510 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.096 -5.656 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.281 -5.397 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.071 -7.043 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.606 -7.492 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.568 -6.144 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.229 -6.366 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.109 -6.290 8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.684 -6.600 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.897 -4.929 7.223 1.00 0.00 H new ATOM 453 N ILE A 32 -1.942 -3.729 3.042 1.00 0.00 N ATOM 454 CA ILE A 32 -2.126 -3.355 1.645 1.00 0.00 C ATOM 455 C ILE A 32 -1.614 -4.446 0.711 1.00 0.00 C ATOM 456 O ILE A 32 -0.484 -4.917 0.848 1.00 0.00 O ATOM 457 CB ILE A 32 -1.406 -2.034 1.317 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.940 -0.903 2.199 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.575 -1.690 -0.155 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.189 -0.749 3.503 1.00 0.00 C ATOM 0 H ILE A 32 -0.996 -4.030 3.277 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.197 -3.223 1.492 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.342 -2.157 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.887 0.035 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.993 -1.087 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.061 -0.754 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.151 -2.487 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.635 -1.583 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.621 0.071 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.263 -1.673 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.141 -0.534 3.296 1.00 0.00 H new ATOM 472 N THR A 33 -2.453 -4.844 -0.241 1.00 0.00 N ATOM 473 CA THR A 33 -2.085 -5.880 -1.199 1.00 0.00 C ATOM 474 C THR A 33 -1.432 -5.276 -2.437 1.00 0.00 C ATOM 475 O THR A 33 -2.110 -4.713 -3.297 1.00 0.00 O ATOM 476 CB THR A 33 -3.312 -6.706 -1.630 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.025 -7.164 -0.476 1.00 0.00 O ATOM 478 CG2 THR A 33 -2.890 -7.897 -2.477 1.00 0.00 C ATOM 0 H THR A 33 -3.391 -4.465 -0.369 1.00 0.00 H new ATOM 0 HA THR A 33 -1.372 -6.536 -0.699 1.00 0.00 H new ATOM 0 HB THR A 33 -3.962 -6.066 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.804 -7.687 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.772 -8.466 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.373 -7.544 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.222 -8.536 -1.899 1.00 0.00 H new ATOM 486 N LEU A 34 -0.112 -5.398 -2.522 1.00 0.00 N ATOM 487 CA LEU A 34 0.634 -4.865 -3.657 1.00 0.00 C ATOM 488 C LEU A 34 0.157 -5.491 -4.964 1.00 0.00 C ATOM 489 O LEU A 34 0.396 -6.671 -5.224 1.00 0.00 O ATOM 490 CB LEU A 34 2.131 -5.119 -3.473 1.00 0.00 C ATOM 491 CG LEU A 34 3.066 -4.273 -4.338 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.048 -2.822 -3.882 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.482 -4.830 -4.294 1.00 0.00 C ATOM 0 H LEU A 34 0.464 -5.861 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 34 0.457 -3.790 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.382 -4.948 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.329 -6.171 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 34 2.712 -4.313 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.719 -2.235 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.036 -2.427 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.376 -2.763 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.134 -4.216 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.845 -4.820 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.482 -5.853 -4.669 1.00 0.00 H new ATOM 505 N LEU A 35 -0.516 -4.692 -5.785 1.00 0.00 N ATOM 506 CA LEU A 35 -1.025 -5.166 -7.067 1.00 0.00 C ATOM 507 C LEU A 35 -0.085 -4.776 -8.203 1.00 0.00 C ATOM 508 O LEU A 35 0.387 -5.631 -8.951 1.00 0.00 O ATOM 509 CB LEU A 35 -2.421 -4.597 -7.326 1.00 0.00 C ATOM 510 CG LEU A 35 -3.472 -4.881 -6.252 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.715 -4.037 -6.485 1.00 0.00 C ATOM 512 CD2 LEU A 35 -3.825 -6.361 -6.229 1.00 0.00 C ATOM 0 H LEU A 35 -0.722 -3.713 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.085 -6.254 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.335 -3.517 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.783 -4.994 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.054 -4.613 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.452 -4.253 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.449 -2.980 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.136 -4.272 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.574 -6.544 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.223 -6.655 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.931 -6.945 -6.012 1.00 0.00 H new ATOM 524 N GLU A 36 0.182 -3.480 -8.325 1.00 0.00 N ATOM 525 CA GLU A 36 1.066 -2.977 -9.370 1.00 0.00 C ATOM 526 C GLU A 36 2.353 -2.418 -8.770 1.00 0.00 C ATOM 527 O GLU A 36 2.344 -1.377 -8.114 1.00 0.00 O ATOM 528 CB GLU A 36 0.361 -1.895 -10.190 1.00 0.00 C ATOM 529 CG GLU A 36 0.871 -1.782 -11.616 1.00 0.00 C ATOM 530 CD GLU A 36 0.006 -0.882 -12.476 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.471 0.151 -11.962 1.00 0.00 O ATOM 532 OE2 GLU A 36 -0.194 -1.211 -13.664 1.00 0.00 O ATOM 0 H GLU A 36 -0.201 -2.759 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 36 1.322 -3.810 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.708 -2.106 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.486 -0.934 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.890 -1.396 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.912 -2.775 -12.063 1.00 0.00 H new ATOM 539 N ASP A 37 3.459 -3.118 -9.001 1.00 0.00 N ATOM 540 CA ASP A 37 4.755 -2.692 -8.485 1.00 0.00 C ATOM 541 C ASP A 37 5.656 -2.206 -9.615 1.00 0.00 C ATOM 542 O ASP A 37 6.882 -2.223 -9.496 1.00 0.00 O ATOM 543 CB ASP A 37 5.431 -3.841 -7.735 1.00 0.00 C ATOM 544 CG ASP A 37 6.487 -3.355 -6.761 1.00 0.00 C ATOM 545 OD1 ASP A 37 6.112 -2.767 -5.725 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.687 -3.561 -7.036 1.00 0.00 O ATOM 0 H ASP A 37 3.484 -3.982 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 37 4.590 -1.865 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.676 -4.411 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.889 -4.520 -8.454 1.00 0.00 H new ATOM 551 N SER A 38 5.042 -1.773 -10.711 1.00 0.00 N ATOM 552 CA SER A 38 5.789 -1.285 -11.864 1.00 0.00 C ATOM 553 C SER A 38 6.633 -0.071 -11.492 1.00 0.00 C ATOM 554 O SER A 38 7.804 0.021 -11.858 1.00 0.00 O ATOM 555 CB SER A 38 4.833 -0.926 -13.003 1.00 0.00 C ATOM 556 OG SER A 38 5.546 -0.598 -14.183 1.00 0.00 O ATOM 0 H SER A 38 4.029 -1.750 -10.825 1.00 0.00 H new ATOM 0 HA SER A 38 6.456 -2.081 -12.196 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.165 -1.765 -13.199 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.208 -0.084 -12.706 1.00 0.00 H new ATOM 0 HG SER A 38 4.913 -0.374 -14.896 1.00 0.00 H new ATOM 562 N ASN A 39 6.028 0.860 -10.760 1.00 0.00 N ATOM 563 CA ASN A 39 6.723 2.071 -10.337 1.00 0.00 C ATOM 564 C ASN A 39 7.165 1.963 -8.881 1.00 0.00 C ATOM 565 O ASN A 39 6.337 1.870 -7.976 1.00 0.00 O ATOM 566 CB ASN A 39 5.820 3.292 -10.519 1.00 0.00 C ATOM 567 CG ASN A 39 6.607 4.555 -10.809 1.00 0.00 C ATOM 568 OD1 ASN A 39 6.712 5.443 -9.963 1.00 0.00 O ATOM 569 ND2 ASN A 39 7.165 4.641 -12.011 1.00 0.00 N ATOM 0 H ASN A 39 5.059 0.799 -10.448 1.00 0.00 H new ATOM 0 HA ASN A 39 7.610 2.188 -10.960 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.123 3.106 -11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.224 3.437 -9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.707 5.467 -12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.052 3.881 -12.681 1.00 0.00 H new ATOM 576 N GLU A 40 8.477 1.978 -8.663 1.00 0.00 N ATOM 577 CA GLU A 40 9.028 1.883 -7.317 1.00 0.00 C ATOM 578 C GLU A 40 8.593 3.072 -6.465 1.00 0.00 C ATOM 579 O GLU A 40 7.947 2.904 -5.431 1.00 0.00 O ATOM 580 CB GLU A 40 10.556 1.812 -7.371 1.00 0.00 C ATOM 581 CG GLU A 40 11.083 0.606 -8.131 1.00 0.00 C ATOM 582 CD GLU A 40 12.568 0.386 -7.919 1.00 0.00 C ATOM 583 OE1 GLU A 40 12.936 -0.234 -6.900 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.362 0.834 -8.773 1.00 0.00 O ATOM 0 H GLU A 40 9.177 2.055 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 40 8.645 0.971 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.937 2.720 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.946 1.789 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.539 -0.284 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.887 0.738 -9.195 1.00 0.00 H new ATOM 591 N ASP A 41 8.953 4.272 -6.907 1.00 0.00 N ATOM 592 CA ASP A 41 8.600 5.489 -6.187 1.00 0.00 C ATOM 593 C ASP A 41 7.179 5.404 -5.638 1.00 0.00 C ATOM 594 O ASP A 41 6.928 5.745 -4.482 1.00 0.00 O ATOM 595 CB ASP A 41 8.734 6.707 -7.103 1.00 0.00 C ATOM 596 CG ASP A 41 8.761 8.012 -6.332 1.00 0.00 C ATOM 597 OD1 ASP A 41 8.110 8.087 -5.269 1.00 0.00 O ATOM 598 OD2 ASP A 41 9.436 8.957 -6.791 1.00 0.00 O ATOM 0 H ASP A 41 9.489 4.428 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 41 9.288 5.597 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.647 6.617 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.902 6.722 -7.807 1.00 0.00 H new ATOM 603 N TRP A 42 6.254 4.948 -6.475 1.00 0.00 N ATOM 604 CA TRP A 42 4.858 4.819 -6.074 1.00 0.00 C ATOM 605 C TRP A 42 4.320 3.433 -6.414 1.00 0.00 C ATOM 606 O TRP A 42 4.279 3.043 -7.580 1.00 0.00 O ATOM 607 CB TRP A 42 4.008 5.891 -6.758 1.00 0.00 C ATOM 608 CG TRP A 42 4.351 7.285 -6.327 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.425 8.026 -6.729 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.617 8.104 -5.409 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.404 9.256 -6.116 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.304 9.329 -5.303 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.446 7.921 -4.669 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.858 10.363 -4.485 1.00 0.00 C ATOM 615 CZ3 TRP A 42 2.005 8.949 -3.858 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.708 10.158 -3.771 1.00 0.00 C ATOM 0 H TRP A 42 6.445 4.662 -7.435 1.00 0.00 H new ATOM 0 HA TRP A 42 4.802 4.955 -4.994 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.134 5.811 -7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.956 5.701 -6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.180 7.694 -7.426 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.095 9.995 -6.245 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.896 6.994 -4.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.400 11.294 -4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.102 8.818 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.336 10.943 -3.129 1.00 0.00 H new ATOM 627 N TRP A 43 3.908 2.696 -5.389 1.00 0.00 N ATOM 628 CA TRP A 43 3.372 1.353 -5.580 1.00 0.00 C ATOM 629 C TRP A 43 1.852 1.352 -5.463 1.00 0.00 C ATOM 630 O TRP A 43 1.277 2.138 -4.709 1.00 0.00 O ATOM 631 CB TRP A 43 3.976 0.390 -4.556 1.00 0.00 C ATOM 632 CG TRP A 43 5.364 -0.055 -4.906 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.907 -0.141 -6.156 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.384 -0.476 -3.994 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.203 -0.590 -6.076 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.520 -0.802 -4.760 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.449 -0.607 -2.604 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.704 -1.251 -4.182 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.625 -1.053 -2.031 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.740 -1.371 -2.819 1.00 0.00 C ATOM 0 H TRP A 43 3.935 3.005 -4.417 1.00 0.00 H new ATOM 0 HA TRP A 43 3.640 1.021 -6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.993 0.873 -3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.333 -0.486 -4.468 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.393 0.107 -7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.828 -0.741 -6.868 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.595 -0.364 -1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.564 -1.496 -4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.686 -1.158 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.645 -1.717 -2.341 1.00 0.00 H new ATOM 651 N LYS A 44 1.206 0.465 -6.212 1.00 0.00 N ATOM 652 CA LYS A 44 -0.248 0.360 -6.191 1.00 0.00 C ATOM 653 C LYS A 44 -0.693 -0.890 -5.439 1.00 0.00 C ATOM 654 O LYS A 44 -0.088 -1.953 -5.570 1.00 0.00 O ATOM 655 CB LYS A 44 -0.799 0.332 -7.619 1.00 0.00 C ATOM 656 CG LYS A 44 -2.249 0.771 -7.720 1.00 0.00 C ATOM 657 CD LYS A 44 -2.937 0.151 -8.925 1.00 0.00 C ATOM 658 CE LYS A 44 -4.384 0.605 -9.035 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.516 1.845 -9.850 1.00 0.00 N ATOM 0 H LYS A 44 1.667 -0.192 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.642 1.234 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.188 0.979 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.706 -0.679 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.780 0.488 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.297 1.858 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.399 0.424 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.900 -0.936 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.981 -0.189 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.786 0.782 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.397 2.335 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.706 2.470 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.537 1.596 -10.860 1.00 0.00 H new ATOM 673 N GLY A 45 -1.756 -0.755 -4.651 1.00 0.00 N ATOM 674 CA GLY A 45 -2.264 -1.882 -3.891 1.00 0.00 C ATOM 675 C GLY A 45 -3.775 -1.872 -3.779 1.00 0.00 C ATOM 676 O GLY A 45 -4.456 -1.158 -4.516 1.00 0.00 O ATOM 0 H GLY A 45 -2.274 0.115 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.944 -2.810 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.829 -1.868 -2.892 1.00 0.00 H new ATOM 680 N LYS A 46 -4.304 -2.668 -2.856 1.00 0.00 N ATOM 681 CA LYS A 46 -5.745 -2.749 -2.649 1.00 0.00 C ATOM 682 C LYS A 46 -6.076 -2.874 -1.165 1.00 0.00 C ATOM 683 O LYS A 46 -5.562 -3.757 -0.478 1.00 0.00 O ATOM 684 CB LYS A 46 -6.324 -3.942 -3.414 1.00 0.00 C ATOM 685 CG LYS A 46 -7.813 -4.142 -3.191 1.00 0.00 C ATOM 686 CD LYS A 46 -8.431 -4.997 -4.285 1.00 0.00 C ATOM 687 CE LYS A 46 -8.388 -6.475 -3.928 1.00 0.00 C ATOM 688 NZ LYS A 46 -7.001 -7.015 -3.967 1.00 0.00 N ATOM 0 H LYS A 46 -3.756 -3.267 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.193 -1.830 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.140 -3.804 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.795 -4.847 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.976 -4.615 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.311 -3.173 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.464 -4.691 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.899 -4.832 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.806 -6.620 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.015 -7.035 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.008 -7.960 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.397 -6.381 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.627 -7.082 -2.999 1.00 0.00 H new ATOM 702 N ILE A 47 -6.936 -1.986 -0.679 1.00 0.00 N ATOM 703 CA ILE A 47 -7.337 -1.999 0.722 1.00 0.00 C ATOM 704 C ILE A 47 -8.769 -2.499 0.880 1.00 0.00 C ATOM 705 O ILE A 47 -9.537 -2.522 -0.081 1.00 0.00 O ATOM 706 CB ILE A 47 -7.221 -0.599 1.354 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.761 -0.140 1.365 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.790 -0.606 2.765 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.551 1.188 2.057 1.00 0.00 C ATOM 0 H ILE A 47 -7.369 -1.248 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.659 -2.679 1.238 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.799 0.104 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.154 -0.898 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.404 -0.066 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.701 0.390 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.841 -0.895 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.237 -1.319 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.494 1.451 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.131 1.959 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.877 1.113 3.094 1.00 0.00 H new ATOM 721 N GLN A 48 -9.120 -2.895 2.099 1.00 0.00 N ATOM 722 CA GLN A 48 -10.461 -3.393 2.383 1.00 0.00 C ATOM 723 C GLN A 48 -11.499 -2.687 1.516 1.00 0.00 C ATOM 724 O GLN A 48 -12.016 -3.262 0.558 1.00 0.00 O ATOM 725 CB GLN A 48 -10.798 -3.200 3.862 1.00 0.00 C ATOM 726 CG GLN A 48 -9.949 -4.049 4.795 1.00 0.00 C ATOM 727 CD GLN A 48 -10.437 -4.004 6.230 1.00 0.00 C ATOM 728 OE1 GLN A 48 -10.574 -2.932 6.819 1.00 0.00 O ATOM 729 NE2 GLN A 48 -10.704 -5.173 6.801 1.00 0.00 N ATOM 0 H GLN A 48 -8.495 -2.881 2.905 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.482 -4.457 2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.669 -2.149 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.849 -3.440 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.954 -5.082 4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.916 -3.704 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.576 -6.038 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.037 -5.206 7.765 1.00 0.00 H new ATOM 738 N ASP A 49 -11.799 -1.440 1.860 1.00 0.00 N ATOM 739 CA ASP A 49 -12.775 -0.655 1.113 1.00 0.00 C ATOM 740 C ASP A 49 -12.110 0.543 0.442 1.00 0.00 C ATOM 741 O ASP A 49 -12.785 1.468 -0.010 1.00 0.00 O ATOM 742 CB ASP A 49 -13.895 -0.179 2.039 1.00 0.00 C ATOM 743 CG ASP A 49 -14.516 -1.316 2.827 1.00 0.00 C ATOM 744 OD1 ASP A 49 -14.005 -1.625 3.924 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.513 -1.896 2.347 1.00 0.00 O ATOM 0 H ASP A 49 -11.381 -0.951 2.651 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.201 -1.293 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.499 0.565 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.667 0.314 1.448 1.00 0.00 H new ATOM 750 N ARG A 50 -10.782 0.520 0.383 1.00 0.00 N ATOM 751 CA ARG A 50 -10.026 1.605 -0.230 1.00 0.00 C ATOM 752 C ARG A 50 -9.108 1.076 -1.328 1.00 0.00 C ATOM 753 O ARG A 50 -8.639 -0.061 -1.264 1.00 0.00 O ATOM 754 CB ARG A 50 -9.201 2.341 0.828 1.00 0.00 C ATOM 755 CG ARG A 50 -9.989 3.391 1.593 1.00 0.00 C ATOM 756 CD ARG A 50 -9.460 3.563 3.008 1.00 0.00 C ATOM 757 NE ARG A 50 -9.868 4.837 3.594 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.112 5.107 3.973 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.065 4.196 3.829 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.406 6.289 4.499 1.00 0.00 N ATOM 0 H ARG A 50 -10.208 -0.238 0.752 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.736 2.301 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.800 1.614 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.349 2.819 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.936 4.343 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.040 3.104 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.821 2.745 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.372 3.500 2.998 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.159 5.559 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.843 3.285 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.020 4.406 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.676 6.992 4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.362 6.494 4.789 1.00 0.00 H new ATOM 774 N ILE A 51 -8.858 1.907 -2.334 1.00 0.00 N ATOM 775 CA ILE A 51 -7.997 1.522 -3.446 1.00 0.00 C ATOM 776 C ILE A 51 -7.392 2.748 -4.122 1.00 0.00 C ATOM 777 O ILE A 51 -8.042 3.784 -4.249 1.00 0.00 O ATOM 778 CB ILE A 51 -8.766 0.698 -4.495 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.507 -0.459 -3.823 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.814 0.177 -5.561 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.309 -1.305 -4.787 1.00 0.00 C ATOM 0 H ILE A 51 -9.239 2.851 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.198 0.908 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.500 1.344 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.784 -1.094 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.176 -0.058 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.373 -0.404 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.328 1.017 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.059 -0.457 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.807 -2.106 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.056 -0.684 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.643 -1.736 -5.534 1.00 0.00 H new ATOM 793 N GLY A 52 -6.142 2.621 -4.557 1.00 0.00 N ATOM 794 CA GLY A 52 -5.470 3.725 -5.217 1.00 0.00 C ATOM 795 C GLY A 52 -3.961 3.575 -5.206 1.00 0.00 C ATOM 796 O GLY A 52 -3.440 2.478 -5.004 1.00 0.00 O ATOM 0 H GLY A 52 -5.583 1.773 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.818 3.794 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.743 4.659 -4.725 1.00 0.00 H new ATOM 800 N PHE A 53 -3.257 4.681 -5.426 1.00 0.00 N ATOM 801 CA PHE A 53 -1.799 4.667 -5.444 1.00 0.00 C ATOM 802 C PHE A 53 -1.234 5.176 -4.121 1.00 0.00 C ATOM 803 O PHE A 53 -1.951 5.768 -3.314 1.00 0.00 O ATOM 804 CB PHE A 53 -1.274 5.524 -6.598 1.00 0.00 C ATOM 805 CG PHE A 53 -1.879 5.174 -7.928 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.531 3.998 -8.574 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.795 6.020 -8.532 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.085 3.674 -9.798 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.353 5.700 -9.756 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.998 4.525 -10.389 1.00 0.00 C ATOM 0 H PHE A 53 -3.672 5.597 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.472 3.637 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.475 6.573 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.191 5.413 -6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.819 3.328 -8.116 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.076 6.940 -8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.804 2.756 -10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.066 6.368 -10.217 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.434 4.272 -11.344 1.00 0.00 H new ATOM 820 N PHE A 54 0.055 4.939 -3.905 1.00 0.00 N ATOM 821 CA PHE A 54 0.717 5.370 -2.680 1.00 0.00 C ATOM 822 C PHE A 54 2.225 5.150 -2.769 1.00 0.00 C ATOM 823 O PHE A 54 2.708 4.275 -3.487 1.00 0.00 O ATOM 824 CB PHE A 54 0.151 4.615 -1.476 1.00 0.00 C ATOM 825 CG PHE A 54 0.360 3.129 -1.548 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.545 2.320 -2.215 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.463 2.542 -0.947 1.00 0.00 C ATOM 828 CE1 PHE A 54 -0.355 0.953 -2.283 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.658 1.175 -1.012 1.00 0.00 C ATOM 830 CZ PHE A 54 0.748 0.380 -1.680 1.00 0.00 C ATOM 0 H PHE A 54 0.662 4.450 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 54 0.530 6.436 -2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.617 4.996 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.917 4.820 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.409 2.763 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.177 3.159 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.068 0.333 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.521 0.729 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.898 -0.688 -1.731 1.00 0.00 H new ATOM 840 N PRO A 55 2.986 5.965 -2.023 1.00 0.00 N ATOM 841 CA PRO A 55 4.449 5.880 -2.001 1.00 0.00 C ATOM 842 C PRO A 55 4.946 4.617 -1.305 1.00 0.00 C ATOM 843 O PRO A 55 4.311 4.119 -0.376 1.00 0.00 O ATOM 844 CB PRO A 55 4.865 7.124 -1.212 1.00 0.00 C ATOM 845 CG PRO A 55 3.689 7.438 -0.353 1.00 0.00 C ATOM 846 CD PRO A 55 2.477 7.031 -1.145 1.00 0.00 C ATOM 0 HA PRO A 55 4.870 5.835 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.754 6.933 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.102 7.954 -1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.739 6.895 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.657 8.500 -0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.677 6.671 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.073 7.865 -1.718 1.00 0.00 H new ATOM 854 N ALA A 56 6.085 4.105 -1.760 1.00 0.00 N ATOM 855 CA ALA A 56 6.667 2.902 -1.178 1.00 0.00 C ATOM 856 C ALA A 56 7.313 3.201 0.170 1.00 0.00 C ATOM 857 O ALA A 56 7.271 2.380 1.085 1.00 0.00 O ATOM 858 CB ALA A 56 7.687 2.296 -2.131 1.00 0.00 C ATOM 0 H ALA A 56 6.623 4.504 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 56 5.865 2.182 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.114 1.398 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.198 2.037 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.480 3.019 -2.322 1.00 0.00 H new ATOM 864 N ASN A 57 7.911 4.382 0.286 1.00 0.00 N ATOM 865 CA ASN A 57 8.567 4.789 1.523 1.00 0.00 C ATOM 866 C ASN A 57 7.584 4.776 2.690 1.00 0.00 C ATOM 867 O ASN A 57 7.978 4.622 3.846 1.00 0.00 O ATOM 868 CB ASN A 57 9.173 6.185 1.368 1.00 0.00 C ATOM 869 CG ASN A 57 10.177 6.257 0.233 1.00 0.00 C ATOM 870 OD1 ASN A 57 11.370 6.030 0.430 1.00 0.00 O ATOM 871 ND2 ASN A 57 9.695 6.575 -0.963 1.00 0.00 N ATOM 0 H ASN A 57 7.955 5.074 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 57 9.364 4.076 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.376 6.907 1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.661 6.472 2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.322 6.639 -1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.698 6.755 -1.080 1.00 0.00 H new ATOM 878 N PHE A 58 6.302 4.938 2.378 1.00 0.00 N ATOM 879 CA PHE A 58 5.262 4.946 3.400 1.00 0.00 C ATOM 880 C PHE A 58 4.991 3.534 3.911 1.00 0.00 C ATOM 881 O PHE A 58 4.718 3.331 5.094 1.00 0.00 O ATOM 882 CB PHE A 58 3.973 5.554 2.842 1.00 0.00 C ATOM 883 CG PHE A 58 3.917 7.050 2.960 1.00 0.00 C ATOM 884 CD1 PHE A 58 4.944 7.837 2.464 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.836 7.670 3.567 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.894 9.214 2.572 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.781 9.047 3.677 1.00 0.00 C ATOM 888 CZ PHE A 58 3.811 9.819 3.178 1.00 0.00 C ATOM 0 H PHE A 58 5.959 5.065 1.426 1.00 0.00 H new ATOM 0 HA PHE A 58 5.612 5.555 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.874 5.276 1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.120 5.124 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.793 7.369 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.027 7.070 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.702 9.816 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.933 9.518 4.153 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.770 10.895 3.262 1.00 0.00 H new ATOM 898 N VAL A 59 5.069 2.560 3.010 1.00 0.00 N ATOM 899 CA VAL A 59 4.834 1.166 3.368 1.00 0.00 C ATOM 900 C VAL A 59 6.147 0.404 3.505 1.00 0.00 C ATOM 901 O VAL A 59 7.193 0.864 3.048 1.00 0.00 O ATOM 902 CB VAL A 59 3.950 0.460 2.323 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.618 1.179 2.176 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.671 0.376 0.986 1.00 0.00 C ATOM 0 H VAL A 59 5.293 2.711 2.026 1.00 0.00 H new ATOM 0 HA VAL A 59 4.318 1.169 4.328 1.00 0.00 H new ATOM 0 HB VAL A 59 3.751 -0.555 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.007 0.665 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.098 1.182 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.792 2.206 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.032 -0.126 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.902 1.381 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.596 -0.188 1.106 1.00 0.00 H new ATOM 914 N GLN A 60 6.085 -0.763 4.138 1.00 0.00 N ATOM 915 CA GLN A 60 7.270 -1.589 4.335 1.00 0.00 C ATOM 916 C GLN A 60 6.986 -3.044 3.978 1.00 0.00 C ATOM 917 O GLN A 60 5.956 -3.598 4.363 1.00 0.00 O ATOM 918 CB GLN A 60 7.749 -1.492 5.785 1.00 0.00 C ATOM 919 CG GLN A 60 9.125 -2.096 6.012 1.00 0.00 C ATOM 920 CD GLN A 60 10.244 -1.211 5.501 1.00 0.00 C ATOM 921 OE1 GLN A 60 10.957 -1.570 4.563 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.404 -0.044 6.115 1.00 0.00 N ATOM 0 H GLN A 60 5.227 -1.158 4.523 1.00 0.00 H new ATOM 0 HA GLN A 60 8.054 -1.219 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.768 -0.444 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.029 -1.995 6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.267 -2.275 7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.178 -3.065 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.791 0.214 6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.140 0.594 5.813 1.00 0.00 H new ATOM 931 N ARG A 61 7.905 -3.657 3.239 1.00 0.00 N ATOM 932 CA ARG A 61 7.752 -5.047 2.828 1.00 0.00 C ATOM 933 C ARG A 61 7.653 -5.965 4.042 1.00 0.00 C ATOM 934 O ARG A 61 8.456 -5.872 4.972 1.00 0.00 O ATOM 935 CB ARG A 61 8.928 -5.473 1.947 1.00 0.00 C ATOM 936 CG ARG A 61 8.577 -6.565 0.949 1.00 0.00 C ATOM 937 CD ARG A 61 9.778 -7.448 0.645 1.00 0.00 C ATOM 938 NE ARG A 61 10.656 -6.851 -0.358 1.00 0.00 N ATOM 939 CZ ARG A 61 11.947 -7.142 -0.471 1.00 0.00 C ATOM 940 NH1 ARG A 61 12.507 -8.017 0.353 1.00 0.00 N ATOM 941 NH2 ARG A 61 12.680 -6.557 -1.410 1.00 0.00 N ATOM 0 H ARG A 61 8.763 -3.213 2.913 1.00 0.00 H new ATOM 0 HA ARG A 61 6.829 -5.131 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.299 -4.603 1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.741 -5.822 2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.766 -7.176 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.213 -6.113 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.341 -7.623 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.433 -8.420 0.293 1.00 0.00 H new ATOM 0 HE ARG A 61 10.256 -6.174 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.946 -8.468 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.499 -8.239 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.252 -5.884 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.671 -6.781 -1.496 1.00 0.00 H new ATOM 955 N LEU A 62 6.663 -6.851 4.028 1.00 0.00 N ATOM 956 CA LEU A 62 6.459 -7.787 5.129 1.00 0.00 C ATOM 957 C LEU A 62 6.704 -9.223 4.676 1.00 0.00 C ATOM 958 O LEU A 62 6.527 -9.553 3.503 1.00 0.00 O ATOM 959 CB LEU A 62 5.039 -7.651 5.683 1.00 0.00 C ATOM 960 CG LEU A 62 4.804 -6.488 6.647 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.327 -6.370 6.991 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.635 -6.665 7.909 1.00 0.00 C ATOM 0 H LEU A 62 5.989 -6.941 3.267 1.00 0.00 H new ATOM 0 HA LEU A 62 7.175 -7.546 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.351 -7.546 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.779 -8.578 6.194 1.00 0.00 H new ATOM 0 HG LEU A 62 5.117 -5.566 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.179 -5.537 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.754 -6.195 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.988 -7.293 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.455 -5.828 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.354 -7.595 8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.692 -6.699 7.647 1.00 0.00 H new