USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 THR OG1 : rot 46:sc= 1.72 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -129:sc= 1.08 (180deg=-0.366) USER MOD Set 2.1: A 46 MET CE :methyl 153:sc= -0.808 (180deg=-2.02) USER MOD Set 2.2: A 91 SER OG : rot 104:sc= -1.71! USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 SER OG : rot 34:sc= 0.224 USER MOD Set 4.1: A 9 THR OG1 : rot -170:sc= 1.2 USER MOD Set 4.2: A 13 THR OG1 : rot 114:sc= 0.833 USER MOD Single : A 0 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0085 (180deg=-0.0085) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0593) USER MOD Single : A 10 ASN : amide:sc=-0.000389 K(o=-0.00039,f=-0.66) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= 0.532 K(o=0.53,f=-0.11) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -83:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -10:sc= -0.361 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= 0.917 (180deg=-0.0231) USER MOD Single : A 61 MET CE :methyl 167:sc= -0.0364 (180deg=-0.316) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 70 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.052) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 171:sc= -1.34 (180deg=-1.79!) USER MOD Single : A 77 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.1!) USER MOD Single : A 82 GLN : amide:sc= -0.0894 K(o=-0.089,f=-1.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= -0.0673 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.671 9.062 4.434 1.00 0.00 N ATOM 91 CA PHE A 0 -6.261 9.426 4.420 1.00 0.00 C ATOM 92 C PHE A 0 -5.472 8.561 5.400 1.00 0.00 C ATOM 93 O PHE A 0 -5.782 8.513 6.591 1.00 0.00 O ATOM 94 CB PHE A 0 -6.086 10.907 4.767 1.00 0.00 C ATOM 95 CG PHE A 0 -4.655 11.368 4.751 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.959 11.463 3.557 1.00 0.00 C ATOM 97 CD2 PHE A 0 -4.005 11.702 5.927 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.643 11.882 3.536 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.689 12.121 5.914 1.00 0.00 C ATOM 100 CZ PHE A 0 -2.007 12.212 4.717 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.191 9.661 3.761 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.775 8.064 4.161 1.00 0.00 H new ATOM 0 H3 PHE A 0 -8.056 9.201 5.390 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.875 9.253 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.659 11.507 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.507 11.091 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.452 11.206 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.534 11.634 6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.112 11.951 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -2.194 12.377 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.978 12.541 4.704 1.00 0.00 H new ATOM 110 N MET A 1 -4.459 7.880 4.885 1.00 0.00 N ATOM 111 CA MET A 1 -3.612 7.000 5.688 1.00 0.00 C ATOM 112 C MET A 1 -2.157 7.144 5.253 1.00 0.00 C ATOM 113 O MET A 1 -1.883 7.340 4.071 1.00 0.00 O ATOM 114 CB MET A 1 -4.076 5.546 5.525 1.00 0.00 C ATOM 115 CG MET A 1 -3.149 4.512 6.151 1.00 0.00 C ATOM 116 SD MET A 1 -3.052 4.628 7.945 1.00 0.00 S ATOM 117 CE MET A 1 -1.807 3.381 8.272 1.00 0.00 C ATOM 0 H MET A 1 -4.198 7.919 3.900 1.00 0.00 H new ATOM 0 HA MET A 1 -3.692 7.280 6.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.067 5.442 5.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.178 5.328 4.462 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.493 3.514 5.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.150 4.631 5.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.624 3.322 9.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.156 2.414 7.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.882 3.648 7.761 1.00 0.00 H new ATOM 127 N GLU A 2 -1.226 7.055 6.193 1.00 0.00 N ATOM 128 CA GLU A 2 0.189 7.150 5.860 1.00 0.00 C ATOM 129 C GLU A 2 1.045 6.305 6.798 1.00 0.00 C ATOM 130 O GLU A 2 0.611 5.935 7.890 1.00 0.00 O ATOM 131 CB GLU A 2 0.654 8.616 5.833 1.00 0.00 C ATOM 132 CG GLU A 2 -0.028 9.527 6.847 1.00 0.00 C ATOM 133 CD GLU A 2 0.564 9.432 8.238 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.555 10.144 8.511 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.024 8.671 9.069 1.00 0.00 O ATOM 0 H GLU A 2 -1.422 6.918 7.185 1.00 0.00 H new ATOM 0 HA GLU A 2 0.320 6.744 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.730 8.644 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.483 9.017 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.041 10.558 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.088 9.276 6.894 1.00 0.00 H new ATOM 142 N GLY A 3 2.242 5.965 6.336 1.00 0.00 N ATOM 143 CA GLY A 3 3.145 5.125 7.100 1.00 0.00 C ATOM 144 C GLY A 3 4.116 4.403 6.189 1.00 0.00 C ATOM 145 O GLY A 3 4.216 4.740 5.008 1.00 0.00 O ATOM 0 H GLY A 3 2.608 6.262 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.697 5.735 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.572 4.398 7.676 1.00 0.00 H new ATOM 149 N VAL A 4 4.831 3.412 6.708 1.00 0.00 N ATOM 150 CA VAL A 4 5.768 2.667 5.879 1.00 0.00 C ATOM 151 C VAL A 4 5.344 1.209 5.754 1.00 0.00 C ATOM 152 O VAL A 4 4.574 0.695 6.569 1.00 0.00 O ATOM 153 CB VAL A 4 7.233 2.733 6.399 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.527 4.066 7.068 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.553 1.570 7.327 1.00 0.00 C ATOM 0 H VAL A 4 4.782 3.110 7.681 1.00 0.00 H new ATOM 0 HA VAL A 4 5.744 3.147 4.901 1.00 0.00 H new ATOM 0 HB VAL A 4 7.886 2.648 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.559 4.077 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.379 4.873 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.854 4.205 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.585 1.651 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.883 1.595 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.421 0.630 6.791 1.00 0.00 H new ATOM 165 N LEU A 5 5.851 0.560 4.718 1.00 0.00 N ATOM 166 CA LEU A 5 5.602 -0.856 4.474 1.00 0.00 C ATOM 167 C LEU A 5 6.909 -1.542 4.105 1.00 0.00 C ATOM 168 O LEU A 5 7.834 -0.900 3.598 1.00 0.00 O ATOM 169 CB LEU A 5 4.597 -1.080 3.329 1.00 0.00 C ATOM 170 CG LEU A 5 3.113 -0.781 3.613 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.628 -1.468 4.884 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.866 0.714 3.672 1.00 0.00 C ATOM 0 H LEU A 5 6.449 1.000 4.019 1.00 0.00 H new ATOM 0 HA LEU A 5 5.181 -1.274 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.908 -0.465 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.675 -2.120 3.012 1.00 0.00 H new ATOM 0 HG LEU A 5 2.533 -1.191 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.577 -1.231 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.745 -2.547 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.215 -1.118 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.811 0.901 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.470 1.152 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.139 1.166 2.718 1.00 0.00 H new ATOM 184 N TYR A 6 6.979 -2.838 4.368 1.00 0.00 N ATOM 185 CA TYR A 6 8.121 -3.650 3.974 1.00 0.00 C ATOM 186 C TYR A 6 8.110 -3.868 2.467 1.00 0.00 C ATOM 187 O TYR A 6 7.352 -4.697 1.965 1.00 0.00 O ATOM 188 CB TYR A 6 8.080 -5.022 4.665 1.00 0.00 C ATOM 189 CG TYR A 6 8.392 -5.018 6.149 1.00 0.00 C ATOM 190 CD1 TYR A 6 7.757 -4.147 7.025 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.335 -5.895 6.670 1.00 0.00 C ATOM 192 CE1 TYR A 6 8.053 -4.150 8.373 1.00 0.00 C ATOM 193 CE2 TYR A 6 9.637 -5.903 8.015 1.00 0.00 C ATOM 194 CZ TYR A 6 8.994 -5.029 8.861 1.00 0.00 C ATOM 195 OH TYR A 6 9.295 -5.034 10.200 1.00 0.00 O ATOM 0 H TYR A 6 6.249 -3.355 4.858 1.00 0.00 H new ATOM 0 HA TYR A 6 9.026 -3.121 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.088 -5.451 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.789 -5.682 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.019 -3.456 6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.841 -6.583 6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.550 -3.467 9.041 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.374 -6.591 8.402 1.00 0.00 H new ATOM 0 HH TYR A 6 9.978 -5.714 10.379 1.00 0.00 H new ATOM 205 N LYS A 7 8.936 -3.123 1.750 1.00 0.00 N ATOM 206 CA LYS A 7 9.022 -3.263 0.304 1.00 0.00 C ATOM 207 C LYS A 7 10.264 -4.053 -0.086 1.00 0.00 C ATOM 208 O LYS A 7 11.388 -3.659 0.229 1.00 0.00 O ATOM 209 CB LYS A 7 9.043 -1.887 -0.373 1.00 0.00 C ATOM 210 CG LYS A 7 9.275 -1.950 -1.878 1.00 0.00 C ATOM 211 CD LYS A 7 8.153 -2.684 -2.593 1.00 0.00 C ATOM 212 CE LYS A 7 8.528 -3.013 -4.030 1.00 0.00 C ATOM 213 NZ LYS A 7 8.859 -1.797 -4.821 1.00 0.00 N ATOM 0 H LYS A 7 9.556 -2.416 2.145 1.00 0.00 H new ATOM 0 HA LYS A 7 8.140 -3.806 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.096 -1.382 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.826 -1.280 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.358 -0.938 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.222 -2.450 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.920 -3.604 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.252 -2.071 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.382 -3.690 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.702 -3.540 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.042 -2.065 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.061 -1.131 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.706 -1.344 -4.423 1.00 0.00 H new ATOM 227 N TRP A 8 10.056 -5.179 -0.753 1.00 0.00 N ATOM 228 CA TRP A 8 11.166 -5.953 -1.287 1.00 0.00 C ATOM 229 C TRP A 8 11.812 -5.194 -2.437 1.00 0.00 C ATOM 230 O TRP A 8 11.123 -4.689 -3.327 1.00 0.00 O ATOM 231 CB TRP A 8 10.700 -7.333 -1.763 1.00 0.00 C ATOM 232 CG TRP A 8 11.833 -8.212 -2.212 1.00 0.00 C ATOM 233 CD1 TRP A 8 12.289 -8.381 -3.491 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.660 -9.033 -1.381 1.00 0.00 C ATOM 235 NE1 TRP A 8 13.349 -9.254 -3.502 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.595 -9.668 -2.221 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.704 -9.293 -0.008 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.557 -10.544 -1.733 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.661 -10.164 0.474 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.577 -10.780 -0.386 1.00 0.00 C ATOM 0 H TRP A 8 9.134 -5.575 -0.936 1.00 0.00 H new ATOM 0 HA TRP A 8 11.897 -6.101 -0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.162 -7.828 -0.954 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.996 -7.209 -2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.876 -7.898 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.868 -9.546 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.002 -8.821 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.264 -11.022 -2.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.703 -10.373 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.314 -11.455 0.022 1.00 0.00 H new ATOM 251 N THR A 9 13.130 -5.112 -2.413 1.00 0.00 N ATOM 252 CA THR A 9 13.860 -4.361 -3.417 1.00 0.00 C ATOM 253 C THR A 9 14.755 -5.284 -4.238 1.00 0.00 C ATOM 254 O THR A 9 14.471 -5.572 -5.396 1.00 0.00 O ATOM 255 CB THR A 9 14.703 -3.249 -2.763 1.00 0.00 C ATOM 256 OG1 THR A 9 15.378 -3.763 -1.601 1.00 0.00 O ATOM 257 CG2 THR A 9 13.825 -2.072 -2.369 1.00 0.00 C ATOM 0 H THR A 9 13.717 -5.557 -1.708 1.00 0.00 H new ATOM 0 HA THR A 9 13.133 -3.898 -4.084 1.00 0.00 H new ATOM 0 HB THR A 9 15.442 -2.906 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.782 -3.022 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.439 -1.298 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.337 -1.669 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.068 -2.404 -1.659 1.00 0.00 H new ATOM 265 N ASN A 10 15.828 -5.749 -3.619 1.00 0.00 N ATOM 266 CA ASN A 10 16.757 -6.675 -4.250 1.00 0.00 C ATOM 267 C ASN A 10 17.108 -7.761 -3.255 1.00 0.00 C ATOM 268 O ASN A 10 17.000 -7.551 -2.053 1.00 0.00 O ATOM 269 CB ASN A 10 18.038 -5.953 -4.691 1.00 0.00 C ATOM 270 CG ASN A 10 17.840 -5.041 -5.888 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.066 -5.339 -6.794 1.00 0.00 O ATOM 272 ND2 ASN A 10 18.534 -3.911 -5.893 1.00 0.00 N ATOM 0 H ASN A 10 16.080 -5.495 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 10 16.286 -7.104 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.420 -5.365 -3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.799 -6.695 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.434 -3.255 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 10 19.167 -3.698 -5.122 1.00 0.00 H new ATOM 279 N TYR A 11 17.536 -8.915 -3.742 1.00 0.00 N ATOM 280 CA TYR A 11 17.910 -10.008 -2.853 1.00 0.00 C ATOM 281 C TYR A 11 19.163 -9.648 -2.058 1.00 0.00 C ATOM 282 O TYR A 11 19.411 -10.199 -0.987 1.00 0.00 O ATOM 283 CB TYR A 11 18.116 -11.310 -3.639 1.00 0.00 C ATOM 284 CG TYR A 11 19.217 -11.259 -4.682 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.007 -10.668 -5.922 1.00 0.00 C ATOM 286 CD2 TYR A 11 20.464 -11.816 -4.427 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.007 -10.632 -6.875 1.00 0.00 C ATOM 288 CE2 TYR A 11 21.469 -11.782 -5.374 1.00 0.00 C ATOM 289 CZ TYR A 11 21.237 -11.190 -6.597 1.00 0.00 C ATOM 290 OH TYR A 11 22.238 -11.161 -7.545 1.00 0.00 O ATOM 0 H TYR A 11 17.633 -9.120 -4.736 1.00 0.00 H new ATOM 0 HA TYR A 11 17.093 -10.169 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.340 -12.111 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.180 -11.572 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 11 18.046 -10.229 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 11 20.651 -12.284 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.826 -10.169 -7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.433 -12.218 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 11 23.040 -11.596 -7.187 1.00 0.00 H new ATOM 300 N LEU A 12 19.944 -8.709 -2.588 1.00 0.00 N ATOM 301 CA LEU A 12 21.137 -8.226 -1.901 1.00 0.00 C ATOM 302 C LEU A 12 20.760 -7.346 -0.715 1.00 0.00 C ATOM 303 O LEU A 12 21.342 -7.459 0.363 1.00 0.00 O ATOM 304 CB LEU A 12 22.026 -7.434 -2.863 1.00 0.00 C ATOM 305 CG LEU A 12 22.593 -8.233 -4.039 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.320 -7.317 -5.008 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.533 -9.320 -3.545 1.00 0.00 C ATOM 0 H LEU A 12 19.771 -8.268 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 12 21.687 -9.093 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.450 -6.597 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.857 -7.011 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 12 21.760 -8.703 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.716 -7.904 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.626 -6.569 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.141 -6.819 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.925 -9.876 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.358 -8.866 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.990 -9.999 -2.887 1.00 0.00 H new ATOM 319 N THR A 13 19.766 -6.492 -0.918 1.00 0.00 N ATOM 320 CA THR A 13 19.359 -5.524 0.090 1.00 0.00 C ATOM 321 C THR A 13 18.264 -6.067 0.999 1.00 0.00 C ATOM 322 O THR A 13 18.096 -5.613 2.130 1.00 0.00 O ATOM 323 CB THR A 13 18.860 -4.233 -0.581 1.00 0.00 C ATOM 324 OG1 THR A 13 17.988 -4.552 -1.678 1.00 0.00 O ATOM 325 CG2 THR A 13 20.026 -3.409 -1.084 1.00 0.00 C ATOM 0 H THR A 13 19.223 -6.451 -1.780 1.00 0.00 H new ATOM 0 HA THR A 13 20.237 -5.315 0.701 1.00 0.00 H new ATOM 0 HB THR A 13 18.311 -3.652 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.080 -4.244 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.653 -2.500 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.673 -3.145 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.594 -3.988 -1.812 1.00 0.00 H new ATOM 333 N GLY A 14 17.514 -7.027 0.491 1.00 0.00 N ATOM 334 CA GLY A 14 16.419 -7.582 1.245 1.00 0.00 C ATOM 335 C GLY A 14 15.199 -6.691 1.187 1.00 0.00 C ATOM 336 O GLY A 14 14.726 -6.340 0.101 1.00 0.00 O ATOM 0 H GLY A 14 17.646 -7.433 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.169 -8.568 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.723 -7.718 2.283 1.00 0.00 H new ATOM 340 N TRP A 15 14.701 -6.304 2.348 1.00 0.00 N ATOM 341 CA TRP A 15 13.537 -5.446 2.416 1.00 0.00 C ATOM 342 C TRP A 15 13.967 -4.011 2.708 1.00 0.00 C ATOM 343 O TRP A 15 14.957 -3.778 3.407 1.00 0.00 O ATOM 344 CB TRP A 15 12.561 -5.947 3.491 1.00 0.00 C ATOM 345 CG TRP A 15 12.856 -5.433 4.872 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.791 -5.897 5.753 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.194 -4.347 5.523 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.755 -5.152 6.910 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.779 -4.194 6.793 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.166 -3.488 5.146 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.360 -3.212 7.688 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.747 -2.519 6.030 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.343 -2.383 7.290 1.00 0.00 C ATOM 0 H TRP A 15 15.086 -6.571 3.254 1.00 0.00 H new ATOM 0 HA TRP A 15 13.024 -5.470 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.549 -5.653 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.583 -7.037 3.508 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.459 -6.725 5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.356 -5.290 7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.704 -3.580 4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.819 -3.108 8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.945 -1.853 5.747 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.995 -1.611 7.960 1.00 0.00 H new ATOM 364 N GLN A 16 13.246 -3.058 2.147 1.00 0.00 N ATOM 365 CA GLN A 16 13.491 -1.653 2.419 1.00 0.00 C ATOM 366 C GLN A 16 12.186 -0.951 2.755 1.00 0.00 C ATOM 367 O GLN A 16 11.224 -1.016 1.990 1.00 0.00 O ATOM 368 CB GLN A 16 14.170 -0.979 1.226 1.00 0.00 C ATOM 369 CG GLN A 16 15.633 -1.361 1.066 1.00 0.00 C ATOM 370 CD GLN A 16 16.476 -0.963 2.264 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.184 0.019 2.947 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.527 -1.723 2.528 1.00 0.00 N ATOM 0 H GLN A 16 12.481 -3.233 1.496 1.00 0.00 H new ATOM 0 HA GLN A 16 14.161 -1.578 3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.632 -1.242 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.095 0.103 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.709 -2.438 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.033 -0.885 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.735 -2.528 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.129 -1.503 3.322 1.00 0.00 H new ATOM 381 N PRO A 17 12.124 -0.305 3.927 1.00 0.00 N ATOM 382 CA PRO A 17 10.941 0.442 4.349 1.00 0.00 C ATOM 383 C PRO A 17 10.699 1.666 3.475 1.00 0.00 C ATOM 384 O PRO A 17 11.582 2.504 3.300 1.00 0.00 O ATOM 385 CB PRO A 17 11.273 0.872 5.778 1.00 0.00 C ATOM 386 CG PRO A 17 12.760 0.852 5.848 1.00 0.00 C ATOM 387 CD PRO A 17 13.194 -0.262 4.940 1.00 0.00 C ATOM 0 HA PRO A 17 10.034 -0.158 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.881 1.866 5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.834 0.192 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.180 1.805 5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.102 0.681 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.166 -0.060 4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.280 -1.208 5.475 1.00 0.00 H new ATOM 395 N ARG A 18 9.505 1.762 2.923 1.00 0.00 N ATOM 396 CA ARG A 18 9.151 2.894 2.084 1.00 0.00 C ATOM 397 C ARG A 18 7.900 3.567 2.618 1.00 0.00 C ATOM 398 O ARG A 18 7.056 2.917 3.232 1.00 0.00 O ATOM 399 CB ARG A 18 8.942 2.456 0.631 1.00 0.00 C ATOM 400 CG ARG A 18 10.229 2.348 -0.171 1.00 0.00 C ATOM 401 CD ARG A 18 10.897 3.707 -0.313 1.00 0.00 C ATOM 402 NE ARG A 18 12.051 3.661 -1.204 1.00 0.00 N ATOM 403 CZ ARG A 18 12.212 4.466 -2.250 1.00 0.00 C ATOM 404 NH1 ARG A 18 11.305 5.401 -2.524 1.00 0.00 N ATOM 405 NH2 ARG A 18 13.287 4.343 -3.016 1.00 0.00 N ATOM 0 H ARG A 18 8.763 1.071 3.039 1.00 0.00 H new ATOM 0 HA ARG A 18 9.974 3.608 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.438 1.490 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.278 3.167 0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.910 1.653 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.014 1.940 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.174 4.428 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.212 4.060 0.669 1.00 0.00 H new ATOM 0 HE ARG A 18 12.777 2.971 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.482 5.502 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.433 6.016 -3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.987 3.633 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.414 4.959 -3.819 1.00 0.00 H new ATOM 419 N TRP A 19 7.783 4.864 2.372 1.00 0.00 N ATOM 420 CA TRP A 19 6.666 5.634 2.888 1.00 0.00 C ATOM 421 C TRP A 19 5.554 5.695 1.848 1.00 0.00 C ATOM 422 O TRP A 19 5.752 6.182 0.732 1.00 0.00 O ATOM 423 CB TRP A 19 7.122 7.050 3.268 1.00 0.00 C ATOM 424 CG TRP A 19 6.084 7.833 4.020 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.108 8.625 3.488 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.926 7.905 5.443 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.348 9.176 4.492 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.833 8.751 5.701 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.604 7.335 6.524 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.399 9.036 6.994 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.175 7.619 7.806 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.082 8.465 8.032 1.00 0.00 C ATOM 0 H TRP A 19 8.449 5.403 1.818 1.00 0.00 H new ATOM 0 HA TRP A 19 6.284 5.145 3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.024 6.982 3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.389 7.593 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.955 8.794 2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.552 9.800 4.359 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.449 6.683 6.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.554 9.685 7.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.691 7.181 8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.772 8.670 9.046 1.00 0.00 H new ATOM 443 N PHE A 20 4.395 5.181 2.222 1.00 0.00 N ATOM 444 CA PHE A 20 3.240 5.154 1.341 1.00 0.00 C ATOM 445 C PHE A 20 2.116 5.977 1.945 1.00 0.00 C ATOM 446 O PHE A 20 2.016 6.096 3.167 1.00 0.00 O ATOM 447 CB PHE A 20 2.756 3.718 1.118 1.00 0.00 C ATOM 448 CG PHE A 20 3.745 2.832 0.414 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.676 2.101 1.133 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.733 2.718 -0.966 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.578 1.277 0.491 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.631 1.892 -1.614 1.00 0.00 C ATOM 453 CZ PHE A 20 5.556 1.170 -0.885 1.00 0.00 C ATOM 0 H PHE A 20 4.228 4.772 3.141 1.00 0.00 H new ATOM 0 HA PHE A 20 3.533 5.576 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.513 3.275 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.833 3.744 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.696 2.177 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.014 3.281 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.301 0.716 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.610 1.811 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.259 0.524 -1.390 1.00 0.00 H new ATOM 463 N VAL A 21 1.281 6.553 1.095 1.00 0.00 N ATOM 464 CA VAL A 21 0.124 7.303 1.560 1.00 0.00 C ATOM 465 C VAL A 21 -1.116 6.903 0.774 1.00 0.00 C ATOM 466 O VAL A 21 -1.072 6.762 -0.451 1.00 0.00 O ATOM 467 CB VAL A 21 0.321 8.842 1.460 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.492 9.304 2.314 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.505 9.286 0.013 1.00 0.00 C ATOM 0 H VAL A 21 1.382 6.516 0.081 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.001 7.055 2.614 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.585 9.311 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.605 10.384 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.307 9.045 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.405 8.814 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.640 10.367 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.383 8.797 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.377 9.012 -0.567 1.00 0.00 H new ATOM 479 N LEU A 22 -2.205 6.682 1.485 1.00 0.00 N ATOM 480 CA LEU A 22 -3.484 6.422 0.856 1.00 0.00 C ATOM 481 C LEU A 22 -4.325 7.678 0.981 1.00 0.00 C ATOM 482 O LEU A 22 -4.607 8.134 2.090 1.00 0.00 O ATOM 483 CB LEU A 22 -4.191 5.226 1.525 1.00 0.00 C ATOM 484 CG LEU A 22 -5.391 4.625 0.764 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.631 5.499 0.901 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.045 4.414 -0.707 1.00 0.00 C ATOM 0 H LEU A 22 -2.228 6.678 2.505 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.340 6.166 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.455 4.437 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.534 5.540 2.511 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.615 3.656 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.457 5.046 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.899 5.588 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.425 6.489 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.905 3.989 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.784 5.370 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.199 3.731 -0.788 1.00 0.00 H new ATOM 498 N ASP A 23 -4.713 8.231 -0.149 1.00 0.00 N ATOM 499 CA ASP A 23 -5.471 9.474 -0.162 1.00 0.00 C ATOM 500 C ASP A 23 -6.483 9.476 -1.299 1.00 0.00 C ATOM 501 O ASP A 23 -6.110 9.401 -2.471 1.00 0.00 O ATOM 502 CB ASP A 23 -4.529 10.678 -0.299 1.00 0.00 C ATOM 503 CG ASP A 23 -5.266 12.008 -0.269 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.698 12.478 -1.343 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.406 12.597 0.824 1.00 0.00 O ATOM 0 H ASP A 23 -4.518 7.843 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.008 9.552 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.797 10.655 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.975 10.596 -1.234 1.00 0.00 H new ATOM 510 N ASN A 24 -7.761 9.511 -0.931 1.00 0.00 N ATOM 511 CA ASN A 24 -8.870 9.634 -1.885 1.00 0.00 C ATOM 512 C ASN A 24 -8.830 8.557 -2.969 1.00 0.00 C ATOM 513 O ASN A 24 -9.092 8.833 -4.141 1.00 0.00 O ATOM 514 CB ASN A 24 -8.875 11.024 -2.533 1.00 0.00 C ATOM 515 CG ASN A 24 -9.308 12.125 -1.578 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.499 12.395 -1.421 1.00 0.00 O ATOM 517 ND2 ASN A 24 -8.346 12.787 -0.957 1.00 0.00 N ATOM 0 H ASN A 24 -8.063 9.455 0.042 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.789 9.495 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.876 11.248 -2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.543 11.015 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.580 13.551 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.370 12.534 -1.113 1.00 0.00 H new ATOM 524 N GLY A 25 -8.505 7.331 -2.577 1.00 0.00 N ATOM 525 CA GLY A 25 -8.483 6.230 -3.526 1.00 0.00 C ATOM 526 C GLY A 25 -7.169 6.114 -4.274 1.00 0.00 C ATOM 527 O GLY A 25 -7.029 5.278 -5.170 1.00 0.00 O ATOM 0 H GLY A 25 -8.256 7.078 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.676 5.297 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.292 6.361 -4.244 1.00 0.00 H new ATOM 531 N ILE A 26 -6.204 6.951 -3.930 1.00 0.00 N ATOM 532 CA ILE A 26 -4.892 6.875 -4.555 1.00 0.00 C ATOM 533 C ILE A 26 -3.840 6.442 -3.541 1.00 0.00 C ATOM 534 O ILE A 26 -3.750 7.000 -2.449 1.00 0.00 O ATOM 535 CB ILE A 26 -4.466 8.219 -5.186 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.552 8.742 -6.134 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.144 8.058 -5.928 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.950 7.760 -7.220 1.00 0.00 C ATOM 0 H ILE A 26 -6.301 7.685 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.967 6.135 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.332 8.948 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.436 9.000 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.199 9.661 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.855 9.012 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.373 7.732 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.258 7.314 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.722 8.205 -7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.079 7.520 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.335 6.848 -6.763 1.00 0.00 H new ATOM 550 N LEU A 27 -3.052 5.444 -3.905 1.00 0.00 N ATOM 551 CA LEU A 27 -1.979 4.960 -3.055 1.00 0.00 C ATOM 552 C LEU A 27 -0.650 5.410 -3.657 1.00 0.00 C ATOM 553 O LEU A 27 -0.246 4.943 -4.719 1.00 0.00 O ATOM 554 CB LEU A 27 -2.065 3.424 -2.938 1.00 0.00 C ATOM 555 CG LEU A 27 -1.295 2.778 -1.774 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.201 2.767 -2.038 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.599 3.501 -0.468 1.00 0.00 C ATOM 0 H LEU A 27 -3.138 4.949 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.063 5.369 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.115 3.148 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.701 2.990 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.627 1.743 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.716 2.304 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.406 2.199 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.556 3.790 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.046 3.031 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.301 4.546 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.668 3.444 -0.261 1.00 0.00 H new ATOM 569 N SER A 28 0.018 6.329 -2.987 1.00 0.00 N ATOM 570 CA SER A 28 1.227 6.932 -3.531 1.00 0.00 C ATOM 571 C SER A 28 2.464 6.481 -2.765 1.00 0.00 C ATOM 572 O SER A 28 2.409 6.272 -1.553 1.00 0.00 O ATOM 573 CB SER A 28 1.107 8.452 -3.487 1.00 0.00 C ATOM 574 OG SER A 28 -0.089 8.882 -4.115 1.00 0.00 O ATOM 0 H SER A 28 -0.252 6.676 -2.067 1.00 0.00 H new ATOM 0 HA SER A 28 1.337 6.605 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.122 8.792 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.966 8.903 -3.983 1.00 0.00 H new ATOM 0 HG SER A 28 -0.147 9.859 -4.074 1.00 0.00 H new ATOM 580 N TYR A 29 3.572 6.330 -3.480 1.00 0.00 N ATOM 581 CA TYR A 29 4.831 5.939 -2.868 1.00 0.00 C ATOM 582 C TYR A 29 5.823 7.096 -2.911 1.00 0.00 C ATOM 583 O TYR A 29 5.913 7.809 -3.910 1.00 0.00 O ATOM 584 CB TYR A 29 5.416 4.699 -3.567 1.00 0.00 C ATOM 585 CG TYR A 29 5.633 4.850 -5.063 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.812 5.391 -5.563 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.665 4.441 -5.973 1.00 0.00 C ATOM 588 CE1 TYR A 29 7.018 5.525 -6.921 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.866 4.571 -7.335 1.00 0.00 C ATOM 590 CZ TYR A 29 6.042 5.116 -7.802 1.00 0.00 C ATOM 591 OH TYR A 29 6.248 5.249 -9.157 1.00 0.00 O ATOM 0 H TYR A 29 3.622 6.474 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 29 4.641 5.683 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.369 4.452 -3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.749 3.854 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.581 5.712 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.741 4.015 -5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.940 5.949 -7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.105 4.247 -8.029 1.00 0.00 H new ATOM 0 HH TYR A 29 5.465 4.913 -9.641 1.00 0.00 H new ATOM 601 N TYR A 30 6.547 7.291 -1.822 1.00 0.00 N ATOM 602 CA TYR A 30 7.537 8.355 -1.737 1.00 0.00 C ATOM 603 C TYR A 30 8.875 7.807 -1.257 1.00 0.00 C ATOM 604 O TYR A 30 9.004 6.611 -0.978 1.00 0.00 O ATOM 605 CB TYR A 30 7.073 9.458 -0.778 1.00 0.00 C ATOM 606 CG TYR A 30 5.848 10.220 -1.234 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.970 11.347 -2.034 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.572 9.825 -0.851 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.859 12.057 -2.441 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.455 10.532 -1.254 1.00 0.00 C ATOM 611 CZ TYR A 30 3.604 11.645 -2.051 1.00 0.00 C ATOM 612 OH TYR A 30 2.494 12.356 -2.452 1.00 0.00 O ATOM 0 H TYR A 30 6.468 6.723 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 30 7.655 8.775 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.865 9.011 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.891 10.164 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.952 11.674 -2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.451 8.951 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.973 12.932 -3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.470 10.213 -0.945 1.00 0.00 H new ATOM 0 HH TYR A 30 1.687 11.932 -2.092 1.00 0.00 H new ATOM 622 N ASP A 31 9.873 8.674 -1.175 1.00 0.00 N ATOM 623 CA ASP A 31 11.152 8.301 -0.582 1.00 0.00 C ATOM 624 C ASP A 31 11.057 8.354 0.938 1.00 0.00 C ATOM 625 O ASP A 31 11.567 7.483 1.642 1.00 0.00 O ATOM 626 CB ASP A 31 12.257 9.244 -1.068 1.00 0.00 C ATOM 627 CG ASP A 31 13.538 9.120 -0.258 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.387 8.271 -0.608 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.699 9.883 0.719 1.00 0.00 O ATOM 0 H ASP A 31 9.824 9.636 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 31 11.397 7.284 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.473 9.033 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.899 10.272 -1.017 1.00 0.00 H new ATOM 634 N SER A 32 10.340 9.355 1.425 1.00 0.00 N ATOM 635 CA SER A 32 10.218 9.599 2.851 1.00 0.00 C ATOM 636 C SER A 32 9.141 10.646 3.107 1.00 0.00 C ATOM 637 O SER A 32 8.463 11.072 2.172 1.00 0.00 O ATOM 638 CB SER A 32 11.566 10.062 3.414 1.00 0.00 C ATOM 639 OG SER A 32 12.118 11.094 2.611 1.00 0.00 O ATOM 0 H SER A 32 9.828 10.019 0.843 1.00 0.00 H new ATOM 0 HA SER A 32 9.929 8.676 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.435 10.420 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.256 9.220 3.457 1.00 0.00 H new ATOM 0 HG SER A 32 12.587 10.698 1.847 1.00 0.00 H new ATOM 645 N GLN A 33 8.985 11.063 4.357 1.00 0.00 N ATOM 646 CA GLN A 33 7.986 12.060 4.713 1.00 0.00 C ATOM 647 C GLN A 33 8.291 13.390 4.018 1.00 0.00 C ATOM 648 O GLN A 33 7.391 14.070 3.527 1.00 0.00 O ATOM 649 CB GLN A 33 7.967 12.239 6.232 1.00 0.00 C ATOM 650 CG GLN A 33 6.588 12.109 6.863 1.00 0.00 C ATOM 651 CD GLN A 33 5.619 13.192 6.428 1.00 0.00 C ATOM 652 OE1 GLN A 33 6.011 14.321 6.139 1.00 0.00 O ATOM 653 NE2 GLN A 33 4.340 12.856 6.393 1.00 0.00 N ATOM 0 H GLN A 33 9.540 10.724 5.143 1.00 0.00 H new ATOM 0 HA GLN A 33 7.004 11.722 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.630 11.499 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.373 13.221 6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.171 11.135 6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.689 12.138 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.055 11.908 6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.639 13.545 6.119 1.00 0.00 H new ATOM 662 N ASP A 34 9.575 13.727 3.948 1.00 0.00 N ATOM 663 CA ASP A 34 10.022 14.959 3.296 1.00 0.00 C ATOM 664 C ASP A 34 9.628 14.979 1.824 1.00 0.00 C ATOM 665 O ASP A 34 9.254 16.019 1.274 1.00 0.00 O ATOM 666 CB ASP A 34 11.543 15.101 3.430 1.00 0.00 C ATOM 667 CG ASP A 34 12.117 16.147 2.492 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.923 17.354 2.742 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.756 15.764 1.492 1.00 0.00 O ATOM 0 H ASP A 34 10.330 13.162 4.336 1.00 0.00 H new ATOM 0 HA ASP A 34 9.534 15.799 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.790 15.366 4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.013 14.139 3.227 1.00 0.00 H new ATOM 674 N ASP A 35 9.687 13.815 1.202 1.00 0.00 N ATOM 675 CA ASP A 35 9.398 13.683 -0.220 1.00 0.00 C ATOM 676 C ASP A 35 7.893 13.780 -0.474 1.00 0.00 C ATOM 677 O ASP A 35 7.453 14.085 -1.583 1.00 0.00 O ATOM 678 CB ASP A 35 9.951 12.353 -0.738 1.00 0.00 C ATOM 679 CG ASP A 35 9.940 12.252 -2.250 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.483 13.162 -2.913 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.428 11.240 -2.777 1.00 0.00 O ATOM 0 H ASP A 35 9.934 12.939 1.662 1.00 0.00 H new ATOM 0 HA ASP A 35 9.882 14.498 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.972 12.227 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.363 11.535 -0.321 1.00 0.00 H new ATOM 686 N VAL A 36 7.112 13.557 0.579 1.00 0.00 N ATOM 687 CA VAL A 36 5.652 13.600 0.491 1.00 0.00 C ATOM 688 C VAL A 36 5.175 14.996 0.134 1.00 0.00 C ATOM 689 O VAL A 36 4.265 15.170 -0.679 1.00 0.00 O ATOM 690 CB VAL A 36 4.980 13.159 1.813 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.467 13.315 1.737 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.347 11.725 2.142 1.00 0.00 C ATOM 0 H VAL A 36 7.467 13.343 1.511 1.00 0.00 H new ATOM 0 HA VAL A 36 5.364 12.901 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 36 5.347 13.806 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.021 12.998 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.218 14.360 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.078 12.699 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.866 11.431 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.011 11.070 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.428 11.642 2.250 1.00 0.00 H new ATOM 782 N SER A 43 2.208 7.139 -9.059 1.00 0.00 N ATOM 783 CA SER A 43 1.310 6.741 -7.988 1.00 0.00 C ATOM 784 C SER A 43 0.507 5.516 -8.401 1.00 0.00 C ATOM 785 O SER A 43 0.471 5.156 -9.580 1.00 0.00 O ATOM 786 CB SER A 43 0.368 7.896 -7.636 1.00 0.00 C ATOM 787 OG SER A 43 1.091 9.106 -7.477 1.00 0.00 O ATOM 0 HA SER A 43 1.903 6.489 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.379 8.014 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.170 7.665 -6.716 1.00 0.00 H new ATOM 0 HG SER A 43 1.854 9.114 -8.092 1.00 0.00 H new ATOM 793 N ILE A 44 -0.135 4.881 -7.433 1.00 0.00 N ATOM 794 CA ILE A 44 -0.931 3.701 -7.700 1.00 0.00 C ATOM 795 C ILE A 44 -2.405 4.003 -7.489 1.00 0.00 C ATOM 796 O ILE A 44 -2.830 4.388 -6.401 1.00 0.00 O ATOM 797 CB ILE A 44 -0.521 2.518 -6.796 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.961 2.178 -6.996 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.394 1.309 -7.099 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.468 1.092 -6.069 1.00 0.00 C ATOM 0 H ILE A 44 -0.118 5.167 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.754 3.418 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.666 2.803 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.116 1.864 -8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.555 3.079 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.100 0.478 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.439 1.559 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.270 1.023 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.523 0.906 -6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.346 1.411 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.900 0.177 -6.236 1.00 0.00 H new ATOM 812 N LYS A 45 -3.175 3.835 -8.540 1.00 0.00 N ATOM 813 CA LYS A 45 -4.607 4.051 -8.479 1.00 0.00 C ATOM 814 C LYS A 45 -5.299 2.826 -7.889 1.00 0.00 C ATOM 815 O LYS A 45 -5.246 1.745 -8.469 1.00 0.00 O ATOM 816 CB LYS A 45 -5.146 4.352 -9.884 1.00 0.00 C ATOM 817 CG LYS A 45 -6.630 4.068 -10.042 1.00 0.00 C ATOM 818 CD LYS A 45 -7.125 4.353 -11.449 1.00 0.00 C ATOM 819 CE LYS A 45 -6.973 5.816 -11.812 1.00 0.00 C ATOM 820 NZ LYS A 45 -7.644 6.139 -13.099 1.00 0.00 N ATOM 0 H LYS A 45 -2.832 3.547 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.814 4.905 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.959 5.400 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.592 3.758 -10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.826 3.025 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.191 4.675 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.570 3.742 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.173 4.065 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.394 6.433 -11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.914 6.065 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.517 7.149 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.225 5.569 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.659 5.925 -13.024 1.00 0.00 H new ATOM 834 N MET A 46 -5.951 3.002 -6.738 1.00 0.00 N ATOM 835 CA MET A 46 -6.647 1.898 -6.079 1.00 0.00 C ATOM 836 C MET A 46 -7.813 1.410 -6.927 1.00 0.00 C ATOM 837 O MET A 46 -8.158 0.243 -6.895 1.00 0.00 O ATOM 838 CB MET A 46 -7.172 2.299 -4.697 1.00 0.00 C ATOM 839 CG MET A 46 -6.096 2.517 -3.642 1.00 0.00 C ATOM 840 SD MET A 46 -6.472 1.652 -2.112 1.00 0.00 S ATOM 841 CE MET A 46 -6.380 -0.037 -2.694 1.00 0.00 C ATOM 0 H MET A 46 -6.011 3.894 -6.246 1.00 0.00 H new ATOM 0 HA MET A 46 -5.919 1.096 -5.957 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.753 3.216 -4.797 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.854 1.525 -4.345 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.136 2.173 -4.027 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.996 3.584 -3.441 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.109 -0.693 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.349 -0.338 -3.093 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.626 -0.111 -3.478 1.00 0.00 H new ATOM 851 N ALA A 47 -8.410 2.307 -7.699 1.00 0.00 N ATOM 852 CA ALA A 47 -9.565 1.958 -8.520 1.00 0.00 C ATOM 853 C ALA A 47 -9.187 1.034 -9.680 1.00 0.00 C ATOM 854 O ALA A 47 -10.059 0.501 -10.366 1.00 0.00 O ATOM 855 CB ALA A 47 -10.238 3.216 -9.037 1.00 0.00 C ATOM 0 H ALA A 47 -8.116 3.281 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.265 1.411 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.098 2.943 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.569 3.824 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.531 3.786 -9.640 1.00 0.00 H new ATOM 861 N VAL A 48 -7.890 0.857 -9.904 1.00 0.00 N ATOM 862 CA VAL A 48 -7.412 -0.036 -10.953 1.00 0.00 C ATOM 863 C VAL A 48 -6.443 -1.065 -10.361 1.00 0.00 C ATOM 864 O VAL A 48 -5.909 -1.926 -11.062 1.00 0.00 O ATOM 865 CB VAL A 48 -6.725 0.757 -12.090 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.356 1.255 -11.660 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.624 -0.071 -13.360 1.00 0.00 C ATOM 0 H VAL A 48 -7.151 1.319 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.270 -0.556 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.348 1.625 -12.307 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.897 1.809 -12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.462 1.909 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.726 0.405 -11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.137 0.515 -14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.039 -0.970 -13.163 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.623 -0.354 -13.691 1.00 0.00 H new ATOM 877 N CYS A 49 -6.238 -0.971 -9.058 1.00 0.00 N ATOM 878 CA CYS A 49 -5.299 -1.826 -8.360 1.00 0.00 C ATOM 879 C CYS A 49 -5.954 -2.428 -7.132 1.00 0.00 C ATOM 880 O CYS A 49 -6.428 -1.708 -6.257 1.00 0.00 O ATOM 881 CB CYS A 49 -4.068 -1.020 -7.948 1.00 0.00 C ATOM 882 SG CYS A 49 -2.892 -1.922 -6.911 1.00 0.00 S ATOM 0 H CYS A 49 -6.718 -0.301 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.993 -2.631 -9.028 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.554 -0.681 -8.847 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.396 -0.129 -7.413 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.423 -3.045 -6.528 1.00 0.00 H new ATOM 888 N GLU A 50 -5.950 -3.740 -7.049 1.00 0.00 N ATOM 889 CA GLU A 50 -6.587 -4.412 -5.939 1.00 0.00 C ATOM 890 C GLU A 50 -5.621 -4.560 -4.780 1.00 0.00 C ATOM 891 O GLU A 50 -4.428 -4.810 -4.966 1.00 0.00 O ATOM 892 CB GLU A 50 -7.111 -5.790 -6.351 1.00 0.00 C ATOM 893 CG GLU A 50 -8.232 -5.744 -7.372 1.00 0.00 C ATOM 894 CD GLU A 50 -8.913 -7.087 -7.523 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.756 -7.420 -6.664 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.612 -7.814 -8.492 1.00 0.00 O ATOM 0 H GLU A 50 -5.515 -4.360 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.432 -3.799 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.286 -6.374 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.464 -6.314 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.966 -4.996 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.832 -5.429 -8.336 1.00 0.00 H new ATOM 903 N ILE A 51 -6.142 -4.368 -3.591 1.00 0.00 N ATOM 904 CA ILE A 51 -5.403 -4.642 -2.381 1.00 0.00 C ATOM 905 C ILE A 51 -5.851 -5.992 -1.859 1.00 0.00 C ATOM 906 O ILE A 51 -7.040 -6.213 -1.608 1.00 0.00 O ATOM 907 CB ILE A 51 -5.611 -3.535 -1.316 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.128 -3.977 0.072 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.072 -3.118 -1.255 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.625 -4.092 0.200 1.00 0.00 C ATOM 0 H ILE A 51 -7.087 -4.018 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.335 -4.657 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.009 -2.679 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.491 -3.266 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.576 -4.942 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.197 -2.340 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.382 -2.735 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.686 -3.980 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.369 -4.409 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.254 -4.826 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.167 -3.124 -0.003 1.00 0.00 H new ATOM 922 N LYS A 52 -4.914 -6.902 -1.724 1.00 0.00 N ATOM 923 CA LYS A 52 -5.257 -8.263 -1.382 1.00 0.00 C ATOM 924 C LYS A 52 -5.403 -8.374 0.125 1.00 0.00 C ATOM 925 O LYS A 52 -4.423 -8.298 0.864 1.00 0.00 O ATOM 926 CB LYS A 52 -4.189 -9.234 -1.893 1.00 0.00 C ATOM 927 CG LYS A 52 -3.913 -9.153 -3.394 1.00 0.00 C ATOM 928 CD LYS A 52 -5.103 -9.591 -4.231 1.00 0.00 C ATOM 929 CE LYS A 52 -4.658 -10.230 -5.539 1.00 0.00 C ATOM 930 NZ LYS A 52 -3.769 -11.402 -5.319 1.00 0.00 N ATOM 0 H LYS A 52 -3.916 -6.727 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.202 -8.527 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.259 -9.044 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.496 -10.251 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.646 -8.129 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.053 -9.778 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.706 -10.300 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.737 -8.730 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.535 -10.543 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.136 -9.489 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.929 -12.105 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.776 -11.093 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.979 -11.829 -4.394 1.00 0.00 H new ATOM 944 N VAL A 53 -6.641 -8.535 0.565 1.00 0.00 N ATOM 945 CA VAL A 53 -6.955 -8.597 1.978 1.00 0.00 C ATOM 946 C VAL A 53 -7.752 -9.857 2.289 1.00 0.00 C ATOM 947 O VAL A 53 -8.833 -10.076 1.742 1.00 0.00 O ATOM 948 CB VAL A 53 -7.728 -7.331 2.444 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.270 -7.510 3.853 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.814 -6.114 2.376 1.00 0.00 C ATOM 0 H VAL A 53 -7.452 -8.626 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.015 -8.632 2.529 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.576 -7.178 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.806 -6.610 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.950 -8.362 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.443 -7.687 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.361 -5.230 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.952 -6.269 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.474 -5.971 1.350 1.00 0.00 H new ATOM 1025 N THR A 59 0.630 -9.053 9.412 1.00 0.00 N ATOM 1026 CA THR A 59 1.039 -8.149 8.343 1.00 0.00 C ATOM 1027 C THR A 59 1.223 -8.906 7.028 1.00 0.00 C ATOM 1028 O THR A 59 2.217 -9.610 6.855 1.00 0.00 O ATOM 1029 CB THR A 59 2.360 -7.465 8.710 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.339 -8.450 9.055 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.163 -6.518 9.872 1.00 0.00 C ATOM 0 HA THR A 59 0.255 -7.402 8.218 1.00 0.00 H new ATOM 0 HB THR A 59 2.705 -6.895 7.847 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.326 -9.171 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.112 -6.042 10.118 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.434 -5.755 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.801 -7.074 10.737 1.00 0.00 H new ATOM 1039 N ARG A 60 0.259 -8.794 6.122 1.00 0.00 N ATOM 1040 CA ARG A 60 0.340 -9.479 4.844 1.00 0.00 C ATOM 1041 C ARG A 60 -0.694 -8.955 3.843 1.00 0.00 C ATOM 1042 O ARG A 60 -1.848 -9.382 3.844 1.00 0.00 O ATOM 1043 CB ARG A 60 0.179 -10.985 5.087 1.00 0.00 C ATOM 1044 CG ARG A 60 -0.979 -11.372 6.006 1.00 0.00 C ATOM 1045 CD ARG A 60 -2.112 -12.037 5.241 1.00 0.00 C ATOM 1046 NE ARG A 60 -1.648 -13.208 4.496 1.00 0.00 N ATOM 1047 CZ ARG A 60 -2.397 -14.276 4.220 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -3.633 -14.384 4.702 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -1.885 -15.254 3.483 1.00 0.00 N ATOM 0 H ARG A 60 -0.585 -8.236 6.251 1.00 0.00 H new ATOM 0 HA ARG A 60 1.314 -9.283 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.041 -11.480 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.105 -11.370 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.617 -12.049 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.355 -10.482 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.895 -12.336 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.556 -11.319 4.551 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.683 -13.207 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.018 -13.645 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.196 -15.206 4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.929 -15.183 3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.448 -16.076 3.265 1.00 0.00 H new ATOM 1063 N MET A 61 -0.287 -7.999 3.006 1.00 0.00 N ATOM 1064 CA MET A 61 -1.167 -7.487 1.961 1.00 0.00 C ATOM 1065 C MET A 61 -0.407 -7.341 0.641 1.00 0.00 C ATOM 1066 O MET A 61 0.793 -7.067 0.628 1.00 0.00 O ATOM 1067 CB MET A 61 -1.774 -6.134 2.363 1.00 0.00 C ATOM 1068 CG MET A 61 -2.245 -6.072 3.805 1.00 0.00 C ATOM 1069 SD MET A 61 -1.003 -5.399 4.929 1.00 0.00 S ATOM 1070 CE MET A 61 -1.147 -3.652 4.555 1.00 0.00 C ATOM 0 H MET A 61 0.638 -7.569 3.032 1.00 0.00 H new ATOM 0 HA MET A 61 -1.976 -8.205 1.829 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.032 -5.352 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.617 -5.916 1.707 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.146 -5.461 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.519 -7.074 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.622 -3.073 5.315 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.707 -3.452 3.578 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.199 -3.368 4.544 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.109 -7.531 -0.467 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.509 -7.398 -1.791 1.00 0.00 C ATOM 1082 C GLU A 62 -1.222 -6.316 -2.591 1.00 0.00 C ATOM 1083 O GLU A 62 -2.437 -6.162 -2.486 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.577 -8.731 -2.550 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.364 -8.593 -4.055 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.518 -9.902 -4.797 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.401 -10.703 -4.421 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.216 -10.120 -5.783 1.00 0.00 O ATOM 0 H GLU A 62 -2.098 -7.779 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 62 0.536 -7.116 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.176 -9.407 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.548 -9.192 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.077 -7.871 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.633 -8.192 -4.240 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.468 -5.563 -3.374 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.049 -4.587 -4.281 1.00 0.00 C ATOM 1097 C LEU A 63 -0.898 -5.085 -5.710 1.00 0.00 C ATOM 1098 O LEU A 63 0.216 -5.354 -6.169 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.361 -3.225 -4.117 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.918 -2.313 -3.012 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.250 -1.706 -3.430 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.070 -3.074 -1.704 1.00 0.00 C ATOM 0 H LEU A 63 0.551 -5.609 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.106 -4.463 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.697 -3.397 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.425 -2.692 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.205 -1.504 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.624 -1.065 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.112 -1.115 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.969 -2.503 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.466 -2.406 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.756 -3.909 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.098 -3.452 -1.388 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.011 -5.222 -6.408 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.994 -5.757 -7.758 1.00 0.00 C ATOM 1116 C ILE A 64 -2.671 -4.801 -8.740 1.00 0.00 C ATOM 1117 O ILE A 64 -3.873 -4.547 -8.664 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.654 -7.164 -7.798 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.061 -7.564 -9.225 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.844 -7.237 -6.846 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.894 -7.705 -10.181 1.00 0.00 C ATOM 0 H ILE A 64 -2.937 -4.971 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.954 -5.862 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.907 -7.883 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.602 -8.509 -9.186 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.751 -6.818 -9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.287 -8.232 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.509 -7.037 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.587 -6.494 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.263 -7.989 -11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.365 -6.755 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.213 -8.473 -9.813 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.869 -4.286 -9.664 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.324 -3.381 -10.703 1.00 0.00 C ATOM 1135 C ILE A 65 -1.836 -3.905 -12.058 1.00 0.00 C ATOM 1136 O ILE A 65 -0.629 -3.996 -12.295 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.815 -1.931 -10.424 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.649 -1.097 -11.702 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.496 -1.965 -9.661 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.884 -0.984 -12.569 1.00 0.00 C ATOM 0 H ILE A 65 -0.871 -4.490 -9.710 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.413 -3.339 -10.715 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.582 -1.448 -9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.330 -0.093 -11.421 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.846 -1.532 -12.298 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.157 -0.946 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.639 -2.479 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.252 -2.495 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.659 -0.375 -13.445 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.196 -1.978 -12.889 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.687 -0.517 -11.999 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.777 -4.271 -12.946 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.468 -4.912 -14.234 1.00 0.00 C ATOM 1154 C PRO A 66 -1.470 -4.120 -15.075 1.00 0.00 C ATOM 1155 O PRO A 66 -1.679 -2.943 -15.371 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.829 -4.977 -14.936 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.828 -4.942 -13.832 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.228 -4.068 -12.771 1.00 0.00 C ATOM 0 HA PRO A 66 -1.995 -5.884 -14.092 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.963 -4.137 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.926 -5.887 -15.528 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.780 -4.540 -14.178 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.025 -5.944 -13.450 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.507 -3.023 -12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.558 -4.361 -11.774 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.373 -4.770 -15.432 1.00 0.00 N ATOM 1167 CA GLY A 67 0.619 -4.152 -16.283 1.00 0.00 C ATOM 1168 C GLY A 67 1.919 -3.937 -15.550 1.00 0.00 C ATOM 1169 O GLY A 67 2.975 -4.406 -15.982 1.00 0.00 O ATOM 0 H GLY A 67 -0.152 -5.723 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.792 -4.780 -17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.243 -3.196 -16.647 1.00 0.00 H new ATOM 1173 N GLU A 68 1.838 -3.248 -14.422 1.00 0.00 N ATOM 1174 CA GLU A 68 3.020 -2.965 -13.624 1.00 0.00 C ATOM 1175 C GLU A 68 3.108 -3.944 -12.457 1.00 0.00 C ATOM 1176 O GLU A 68 3.988 -4.806 -12.440 1.00 0.00 O ATOM 1177 CB GLU A 68 2.997 -1.513 -13.135 1.00 0.00 C ATOM 1178 CG GLU A 68 2.805 -0.516 -14.270 1.00 0.00 C ATOM 1179 CD GLU A 68 3.077 0.919 -13.868 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.215 1.532 -13.209 1.00 0.00 O ATOM 1181 OE2 GLU A 68 4.147 1.450 -14.237 1.00 0.00 O ATOM 0 H GLU A 68 0.969 -2.876 -14.040 1.00 0.00 H new ATOM 0 HA GLU A 68 3.909 -3.093 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.193 -1.391 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.931 -1.293 -12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.465 -0.785 -15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.783 -0.593 -14.642 1.00 0.00 H new ATOM 1188 N GLN A 69 2.169 -3.813 -11.511 1.00 0.00 N ATOM 1189 CA GLN A 69 2.012 -4.733 -10.368 1.00 0.00 C ATOM 1190 C GLN A 69 3.350 -5.102 -9.709 1.00 0.00 C ATOM 1191 O GLN A 69 4.301 -4.319 -9.745 1.00 0.00 O ATOM 1192 CB GLN A 69 1.225 -5.987 -10.799 1.00 0.00 C ATOM 1193 CG GLN A 69 1.892 -6.830 -11.874 1.00 0.00 C ATOM 1194 CD GLN A 69 0.930 -7.794 -12.536 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.283 -7.458 -13.529 1.00 0.00 O ATOM 1196 NE2 GLN A 69 0.830 -8.998 -11.997 1.00 0.00 N ATOM 0 H GLN A 69 1.486 -3.056 -11.515 1.00 0.00 H new ATOM 0 HA GLN A 69 1.441 -4.207 -9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.058 -6.611 -9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.245 -5.675 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.322 -6.174 -12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.716 -7.390 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.384 -9.236 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.199 -9.688 -12.404 1.00 0.00 H new ATOM 1205 N HIS A 70 3.388 -6.266 -9.051 1.00 0.00 N ATOM 1206 CA HIS A 70 4.599 -6.754 -8.394 1.00 0.00 C ATOM 1207 C HIS A 70 4.899 -5.882 -7.172 1.00 0.00 C ATOM 1208 O HIS A 70 6.048 -5.547 -6.881 1.00 0.00 O ATOM 1209 CB HIS A 70 5.782 -6.777 -9.386 1.00 0.00 C ATOM 1210 CG HIS A 70 6.974 -7.568 -8.932 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.141 -8.903 -9.221 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.070 -7.198 -8.231 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.286 -9.319 -8.715 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.874 -8.305 -8.109 1.00 0.00 N ATOM 0 H HIS A 70 2.586 -6.890 -8.961 1.00 0.00 H new ATOM 0 HA HIS A 70 4.445 -7.779 -8.055 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.433 -7.185 -10.335 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.097 -5.751 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.275 -6.213 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.677 -10.323 -8.785 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.774 -8.338 -7.630 1.00 0.00 H new ATOM 1223 N PHE A 71 3.841 -5.512 -6.460 1.00 0.00 N ATOM 1224 CA PHE A 71 3.974 -4.682 -5.276 1.00 0.00 C ATOM 1225 C PHE A 71 3.541 -5.448 -4.034 1.00 0.00 C ATOM 1226 O PHE A 71 2.367 -5.773 -3.865 1.00 0.00 O ATOM 1227 CB PHE A 71 3.141 -3.400 -5.407 1.00 0.00 C ATOM 1228 CG PHE A 71 3.577 -2.494 -6.525 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.820 -1.880 -6.494 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.738 -2.244 -7.601 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.220 -1.039 -7.516 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.133 -1.405 -8.626 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.375 -0.801 -8.583 1.00 0.00 C ATOM 0 H PHE A 71 2.882 -5.776 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 71 5.025 -4.408 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.097 -3.673 -5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.191 -2.850 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.484 -2.061 -5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.765 -2.710 -7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.192 -0.569 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.471 -1.222 -9.460 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.685 -0.144 -9.382 1.00 0.00 H new ATOM 1243 N TYR A 72 4.499 -5.741 -3.173 1.00 0.00 N ATOM 1244 CA TYR A 72 4.211 -6.388 -1.907 1.00 0.00 C ATOM 1245 C TYR A 72 4.403 -5.382 -0.788 1.00 0.00 C ATOM 1246 O TYR A 72 5.389 -4.642 -0.779 1.00 0.00 O ATOM 1247 CB TYR A 72 5.127 -7.598 -1.702 1.00 0.00 C ATOM 1248 CG TYR A 72 4.835 -8.389 -0.445 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.695 -9.174 -0.348 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.702 -8.356 0.642 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.424 -9.903 0.794 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.438 -9.082 1.789 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.299 -9.854 1.860 1.00 0.00 C ATOM 1254 OH TYR A 72 4.032 -10.573 3.006 1.00 0.00 O ATOM 0 H TYR A 72 5.487 -5.540 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 72 3.181 -6.744 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.036 -8.259 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.161 -7.256 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.007 -9.216 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.597 -7.753 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.532 -10.508 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.121 -9.044 2.625 1.00 0.00 H new ATOM 0 HH TYR A 72 4.749 -10.428 3.658 1.00 0.00 H new ATOM 1264 N MET A 73 3.457 -5.336 0.135 1.00 0.00 N ATOM 1265 CA MET A 73 3.525 -4.399 1.245 1.00 0.00 C ATOM 1266 C MET A 73 3.265 -5.129 2.557 1.00 0.00 C ATOM 1267 O MET A 73 2.351 -5.951 2.654 1.00 0.00 O ATOM 1268 CB MET A 73 2.508 -3.258 1.040 1.00 0.00 C ATOM 1269 CG MET A 73 2.877 -2.321 -0.105 1.00 0.00 C ATOM 1270 SD MET A 73 1.521 -1.259 -0.657 1.00 0.00 S ATOM 1271 CE MET A 73 1.319 -0.138 0.725 1.00 0.00 C ATOM 0 H MET A 73 2.632 -5.936 0.138 1.00 0.00 H new ATOM 0 HA MET A 73 4.523 -3.962 1.285 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.525 -3.687 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.429 -2.681 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.711 -1.693 0.208 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.225 -2.916 -0.949 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.630 0.660 0.448 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.919 -0.683 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.285 0.292 0.989 1.00 0.00 H new ATOM 1281 N LYS A 74 4.064 -4.832 3.570 1.00 0.00 N ATOM 1282 CA LYS A 74 3.898 -5.467 4.864 1.00 0.00 C ATOM 1283 C LYS A 74 4.007 -4.419 5.952 1.00 0.00 C ATOM 1284 O LYS A 74 4.967 -3.656 5.989 1.00 0.00 O ATOM 1285 CB LYS A 74 4.954 -6.556 5.068 1.00 0.00 C ATOM 1286 CG LYS A 74 4.524 -7.641 6.040 1.00 0.00 C ATOM 1287 CD LYS A 74 5.614 -8.683 6.248 1.00 0.00 C ATOM 1288 CE LYS A 74 6.647 -8.223 7.264 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.072 -8.130 8.633 1.00 0.00 N ATOM 0 H LYS A 74 4.829 -4.159 3.520 1.00 0.00 H new ATOM 0 HA LYS A 74 2.915 -5.936 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.185 -7.012 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.873 -6.097 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.267 -7.189 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.624 -8.128 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.164 -9.617 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.106 -8.890 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.487 -8.918 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.040 -7.250 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.290 -7.198 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.040 -8.254 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.483 -8.873 9.233 1.00 0.00 H new ATOM 1303 N ALA A 75 3.011 -4.361 6.812 1.00 0.00 N ATOM 1304 CA ALA A 75 2.967 -3.354 7.857 1.00 0.00 C ATOM 1305 C ALA A 75 3.920 -3.690 9.001 1.00 0.00 C ATOM 1306 O ALA A 75 4.593 -4.722 8.970 1.00 0.00 O ATOM 1307 CB ALA A 75 1.545 -3.206 8.360 1.00 0.00 C ATOM 0 H ALA A 75 2.217 -5.001 6.809 1.00 0.00 H new ATOM 0 HA ALA A 75 3.297 -2.404 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.513 -2.450 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.898 -2.903 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.200 -4.159 8.761 1.00 0.00 H new ATOM 1313 N VAL A 76 3.980 -2.816 10.001 1.00 0.00 N ATOM 1314 CA VAL A 76 4.856 -3.026 11.150 1.00 0.00 C ATOM 1315 C VAL A 76 4.442 -4.277 11.920 1.00 0.00 C ATOM 1316 O VAL A 76 5.212 -5.231 12.035 1.00 0.00 O ATOM 1317 CB VAL A 76 4.845 -1.809 12.100 1.00 0.00 C ATOM 1318 CG1 VAL A 76 5.786 -2.028 13.278 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.213 -0.540 11.346 1.00 0.00 C ATOM 0 H VAL A 76 3.433 -1.956 10.039 1.00 0.00 H new ATOM 0 HA VAL A 76 5.868 -3.156 10.766 1.00 0.00 H new ATOM 0 HB VAL A 76 3.835 -1.695 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.760 -1.156 13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.471 -2.910 13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.801 -2.175 12.910 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.200 0.307 12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.210 -0.646 10.919 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.493 -0.370 10.546 1.00 0.00 H new ATOM 1329 N ASN A 77 3.215 -4.270 12.428 1.00 0.00 N ATOM 1330 CA ASN A 77 2.675 -5.429 13.127 1.00 0.00 C ATOM 1331 C ASN A 77 1.220 -5.633 12.718 1.00 0.00 C ATOM 1332 O ASN A 77 0.663 -4.796 12.008 1.00 0.00 O ATOM 1333 CB ASN A 77 2.806 -5.286 14.652 1.00 0.00 C ATOM 1334 CG ASN A 77 1.823 -4.304 15.257 1.00 0.00 C ATOM 1335 OD1 ASN A 77 0.706 -4.673 15.613 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.239 -3.057 15.403 1.00 0.00 N ATOM 0 H ASN A 77 2.577 -3.476 12.369 1.00 0.00 H new ATOM 0 HA ASN A 77 3.255 -6.307 12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.661 -6.263 15.114 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.820 -4.967 14.893 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.625 -2.360 15.825 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.174 -2.792 15.094 1.00 0.00 H new ATOM 1343 N ALA A 78 0.626 -6.750 13.123 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.732 -7.118 12.704 1.00 0.00 C ATOM 1345 C ALA A 78 -1.730 -5.965 12.852 1.00 0.00 C ATOM 1346 O ALA A 78 -2.586 -5.766 11.983 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.201 -8.325 13.493 1.00 0.00 C ATOM 0 H ALA A 78 1.065 -7.426 13.748 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.690 -7.362 11.642 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.209 -8.595 13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.528 -9.163 13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.204 -8.086 14.556 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.615 -5.210 13.941 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.457 -4.041 14.167 1.00 0.00 C ATOM 1355 C ALA A 79 -2.243 -2.985 13.085 1.00 0.00 C ATOM 1356 O ALA A 79 -3.198 -2.405 12.565 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.164 -3.456 15.532 1.00 0.00 C ATOM 0 H ALA A 79 -0.941 -5.390 14.685 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.499 -4.357 14.123 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.795 -2.583 15.697 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.369 -4.202 16.299 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.116 -3.161 15.584 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.977 -2.750 12.749 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.614 -1.796 11.705 1.00 0.00 C ATOM 1365 C GLU A 80 -1.160 -2.244 10.356 1.00 0.00 C ATOM 1366 O GLU A 80 -1.569 -1.429 9.527 1.00 0.00 O ATOM 1367 CB GLU A 80 0.899 -1.644 11.633 1.00 0.00 C ATOM 1368 CG GLU A 80 1.481 -1.054 12.895 1.00 0.00 C ATOM 1369 CD GLU A 80 0.809 0.240 13.290 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.917 1.231 12.539 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.166 0.258 14.356 1.00 0.00 O ATOM 0 H GLU A 80 -0.180 -3.211 13.188 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.054 -0.830 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.351 -2.619 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.157 -1.009 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.383 -1.774 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.547 -0.878 12.752 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.151 -3.554 10.148 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.735 -4.158 8.957 1.00 0.00 C ATOM 1380 C ARG A 81 -3.202 -3.767 8.848 1.00 0.00 C ATOM 1381 O ARG A 81 -3.683 -3.426 7.772 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.549 -5.687 9.025 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.259 -6.499 7.943 1.00 0.00 C ATOM 1384 CD ARG A 81 -3.737 -6.722 8.251 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.975 -7.088 9.651 1.00 0.00 N ATOM 1386 CZ ARG A 81 -5.119 -7.608 10.103 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -6.092 -7.923 9.255 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -5.279 -7.830 11.403 1.00 0.00 N ATOM 0 H ARG A 81 -0.741 -4.226 10.797 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.233 -3.794 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.482 -5.906 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.899 -6.032 9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.165 -5.984 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.765 -7.464 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.293 -5.814 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.124 -7.509 7.603 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.221 -6.936 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.967 -7.768 8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.964 -8.320 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.528 -7.603 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.153 -8.227 11.749 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.895 -3.785 9.981 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.313 -3.458 10.020 1.00 0.00 C ATOM 1404 C GLN A 82 -5.539 -1.980 9.705 1.00 0.00 C ATOM 1405 O GLN A 82 -6.538 -1.623 9.092 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.901 -3.809 11.390 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.404 -3.593 11.489 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.185 -4.450 10.510 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.775 -5.559 10.170 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -9.312 -3.934 10.047 1.00 0.00 N ATOM 0 H GLN A 82 -3.494 -4.024 10.888 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.822 -4.049 9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.678 -4.852 11.614 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.406 -3.207 12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.733 -3.817 12.504 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.629 -2.542 11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.615 -3.010 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.878 -4.460 9.381 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.603 -1.128 10.112 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.703 0.304 9.833 1.00 0.00 C ATOM 1421 C ARG A 83 -4.695 0.565 8.326 1.00 0.00 C ATOM 1422 O ARG A 83 -5.507 1.339 7.803 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.551 1.056 10.503 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.640 1.099 12.020 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.469 1.858 12.623 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.642 2.076 14.058 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.763 2.714 14.829 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.591 3.097 14.338 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.045 2.923 16.107 1.00 0.00 N ATOM 0 H ARG A 83 -3.770 -1.401 10.634 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.647 0.666 10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.610 0.586 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.527 2.077 10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.575 1.573 12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.658 0.083 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.548 1.302 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.362 2.819 12.120 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.490 1.717 14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.358 2.903 13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.077 3.585 14.935 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.930 2.596 16.494 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.377 3.411 16.704 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.792 -0.105 7.624 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.741 -0.014 6.173 1.00 0.00 C ATOM 1445 C TRP A 84 -4.963 -0.675 5.563 1.00 0.00 C ATOM 1446 O TRP A 84 -5.488 -0.214 4.559 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.459 -0.637 5.628 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.264 0.224 5.868 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.348 0.092 6.865 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.872 1.368 5.103 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.585 1.096 6.782 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.286 1.890 5.707 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.386 2.005 3.970 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.935 3.016 5.217 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.737 3.121 3.484 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.412 3.618 4.108 1.00 0.00 C ATOM 0 H TRP A 84 -3.086 -0.716 8.035 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.741 1.040 5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.303 -1.609 6.095 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.569 -0.812 4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.354 -0.688 7.612 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.372 1.229 7.417 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.275 1.630 3.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.822 3.402 5.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.123 3.619 2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.895 4.496 3.705 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.414 -1.749 6.190 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.619 -2.444 5.762 1.00 0.00 C ATOM 1469 C LEU A 85 -7.842 -1.545 5.851 1.00 0.00 C ATOM 1470 O LEU A 85 -8.778 -1.693 5.076 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.831 -3.716 6.570 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.480 -4.998 5.832 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -5.018 -4.984 5.414 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.788 -6.194 6.709 1.00 0.00 C ATOM 0 H LEU A 85 -4.960 -2.162 7.004 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.482 -2.720 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.231 -3.659 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.875 -3.765 6.880 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.084 -5.070 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.781 -5.908 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.836 -4.134 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.387 -4.900 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.535 -7.111 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.202 -6.134 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.849 -6.200 6.957 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.852 -0.638 6.813 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.941 0.314 6.931 1.00 0.00 C ATOM 1488 C VAL A 86 -9.001 1.219 5.700 1.00 0.00 C ATOM 1489 O VAL A 86 -10.054 1.355 5.075 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.787 1.173 8.201 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.775 2.333 8.200 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.971 0.318 9.446 1.00 0.00 C ATOM 0 H VAL A 86 -7.123 -0.541 7.519 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.870 -0.251 7.002 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.779 1.588 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.645 2.923 9.107 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.596 2.963 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.793 1.944 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.859 0.940 10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.966 -0.127 9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.220 -0.472 9.459 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.873 1.823 5.341 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.844 2.717 4.184 1.00 0.00 C ATOM 1504 C ALA A 87 -7.920 1.949 2.861 1.00 0.00 C ATOM 1505 O ALA A 87 -8.748 2.247 2.005 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.588 3.572 4.214 1.00 0.00 C ATOM 0 H ALA A 87 -6.981 1.715 5.823 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.724 3.357 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.577 4.234 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.576 4.168 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.709 2.928 4.190 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.063 0.946 2.721 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.964 0.164 1.491 1.00 0.00 C ATOM 1514 C LEU A 88 -8.158 -0.768 1.321 1.00 0.00 C ATOM 1515 O LEU A 88 -8.713 -0.896 0.231 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.666 -0.643 1.492 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.380 0.192 1.505 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.202 -0.646 1.979 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.100 0.766 0.124 1.00 0.00 C ATOM 0 H LEU A 88 -6.418 0.651 3.454 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.962 0.858 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.664 -1.298 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.655 -1.285 0.611 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.518 1.019 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.299 -0.036 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.397 -1.010 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.065 -1.494 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.184 1.355 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.985 -0.048 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.931 1.402 -0.181 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.547 -1.416 2.413 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.631 -2.385 2.382 1.00 0.00 C ATOM 1533 C GLY A 89 -10.947 -1.776 1.954 1.00 0.00 C ATOM 1534 O GLY A 89 -11.784 -2.460 1.358 1.00 0.00 O ATOM 0 H GLY A 89 -8.125 -1.286 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.370 -3.194 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.745 -2.828 3.371 1.00 0.00 H new ATOM 1538 N SER A 90 -11.130 -0.495 2.261 1.00 0.00 N ATOM 1539 CA SER A 90 -12.305 0.244 1.822 1.00 0.00 C ATOM 1540 C SER A 90 -12.399 0.199 0.299 1.00 0.00 C ATOM 1541 O SER A 90 -13.468 -0.024 -0.265 1.00 0.00 O ATOM 1542 CB SER A 90 -12.225 1.695 2.309 1.00 0.00 C ATOM 1543 OG SER A 90 -13.399 2.423 1.986 1.00 0.00 O ATOM 0 H SER A 90 -10.474 0.054 2.816 1.00 0.00 H new ATOM 0 HA SER A 90 -13.198 -0.215 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.074 1.709 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.360 2.182 1.860 1.00 0.00 H new ATOM 0 HG SER A 90 -13.314 3.343 2.313 1.00 0.00 H new ATOM 1549 N SER A 91 -11.257 0.375 -0.354 1.00 0.00 N ATOM 1550 CA SER A 91 -11.190 0.332 -1.804 1.00 0.00 C ATOM 1551 C SER A 91 -11.420 -1.087 -2.318 1.00 0.00 C ATOM 1552 O SER A 91 -11.990 -1.277 -3.388 1.00 0.00 O ATOM 1553 CB SER A 91 -9.836 0.853 -2.283 1.00 0.00 C ATOM 1554 OG SER A 91 -9.765 0.877 -3.698 1.00 0.00 O ATOM 0 H SER A 91 -10.362 0.550 0.103 1.00 0.00 H new ATOM 0 HA SER A 91 -11.978 0.971 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.671 1.857 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.040 0.222 -1.887 1.00 0.00 H new ATOM 0 HG SER A 91 -9.864 1.799 -4.015 1.00 0.00 H new ATOM 1560 N LYS A 92 -10.979 -2.082 -1.552 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.136 -3.458 -1.922 1.00 0.00 C ATOM 1562 C LYS A 92 -12.611 -3.841 -1.930 1.00 0.00 C ATOM 1563 O LYS A 92 -13.056 -4.669 -2.728 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.386 -4.305 -0.911 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.652 -5.766 -1.069 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.419 -6.536 0.215 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.721 -6.742 0.960 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.238 -5.495 1.587 1.00 0.00 N ATOM 0 H LYS A 92 -10.505 -1.941 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.739 -3.622 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.316 -4.122 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.668 -3.996 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.682 -5.912 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.009 -6.167 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.967 -7.502 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.715 -5.995 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.470 -7.132 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.575 -7.497 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.063 -5.720 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.495 -5.069 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.518 -4.823 0.844 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.357 -3.229 -1.026 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.752 -3.544 -0.836 1.00 0.00 C ATOM 1584 C ALA A 93 -15.618 -2.865 -1.895 1.00 0.00 C ATOM 1585 O ALA A 93 -15.949 -1.686 -1.776 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.163 -3.139 0.569 1.00 0.00 C ATOM 0 H ALA A 93 -13.007 -2.500 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.901 -4.618 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.216 -3.373 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.561 -3.684 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.007 -2.068 0.699 1.00 0.00 H new