USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 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 28 SER OG : rot -78:sc= 0.683 USER MOD Set 1.2: A 43 SER OG : rot 31:sc= 0.634 USER MOD Set 2.1: A 9 THR OG1 : rot 114:sc= 1.39 USER MOD Set 2.2: A 13 THR OG1 : rot 25:sc= 0.931 USER MOD Single : A 0 PHE N :NH3+ 147:sc= 0.00921 (180deg=0) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.113 (180deg=-0.169) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.77) USER MOD Single : A 24 ASN : amide:sc= 0.282 X(o=0.28,f=0) 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 180:sc= 0.154 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 176:sc= -1.14 (180deg=-1.16) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.442 USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0.401 (180deg=0.374) USER MOD Single : A 59 THR OG1 : rot 50:sc= -0.453 USER MOD Single : A 61 MET CE :methyl 172:sc= -0.784 (180deg=-1.03) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.104 F(o=-1.8!,f=-0.1) USER MOD Single : A 70 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.042) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -141:sc= -1.28 (180deg=-4.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.653 K(o=-0.65,f=-6.4!) USER MOD Single : A 82 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.59) USER MOD Single : A 90 SER OG : rot -106:sc= 1.22 USER MOD Single : A 91 SER OG : rot 130:sc= -0.0476 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0.913 (180deg=0.684) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.888 8.640 4.979 1.00 0.00 N ATOM 91 CA PHE A 0 -6.493 9.008 4.829 1.00 0.00 C ATOM 92 C PHE A 0 -5.628 8.082 5.669 1.00 0.00 C ATOM 93 O PHE A 0 -5.937 7.817 6.831 1.00 0.00 O ATOM 94 CB PHE A 0 -6.272 10.467 5.244 1.00 0.00 C ATOM 95 CG PHE A 0 -4.948 11.027 4.800 1.00 0.00 C ATOM 96 CD1 PHE A 0 -4.827 11.637 3.562 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.830 10.945 5.615 1.00 0.00 C ATOM 98 CE1 PHE A 0 -3.616 12.152 3.142 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.616 11.458 5.200 1.00 0.00 C ATOM 100 CZ PHE A 0 -2.509 12.064 3.963 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.481 9.492 4.916 1.00 0.00 H new ATOM 0 H2 PHE A 0 -8.155 7.976 4.224 1.00 0.00 H new ATOM 0 H3 PHE A 0 -8.030 8.187 5.904 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.212 8.907 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -7.073 11.079 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.343 10.542 6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -5.690 11.711 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.908 10.475 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -3.535 12.623 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.751 11.385 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 0 -1.561 12.468 3.639 1.00 0.00 H new ATOM 110 N MET A 1 -4.563 7.580 5.073 1.00 0.00 N ATOM 111 CA MET A 1 -3.640 6.700 5.769 1.00 0.00 C ATOM 112 C MET A 1 -2.207 7.081 5.430 1.00 0.00 C ATOM 113 O MET A 1 -1.903 7.403 4.281 1.00 0.00 O ATOM 114 CB MET A 1 -3.910 5.244 5.391 1.00 0.00 C ATOM 115 CG MET A 1 -3.004 4.254 6.100 1.00 0.00 C ATOM 116 SD MET A 1 -3.097 4.388 7.895 1.00 0.00 S ATOM 117 CE MET A 1 -1.846 3.202 8.372 1.00 0.00 C ATOM 0 H MET A 1 -4.314 7.768 4.102 1.00 0.00 H new ATOM 0 HA MET A 1 -3.787 6.809 6.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.948 5.004 5.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.788 5.128 4.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.275 3.241 5.801 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.975 4.416 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.740 3.202 9.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.140 2.208 8.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.895 3.473 7.914 1.00 0.00 H new ATOM 127 N GLU A 2 -1.335 7.044 6.427 1.00 0.00 N ATOM 128 CA GLU A 2 0.050 7.451 6.249 1.00 0.00 C ATOM 129 C GLU A 2 0.984 6.513 7.007 1.00 0.00 C ATOM 130 O GLU A 2 0.616 5.969 8.048 1.00 0.00 O ATOM 131 CB GLU A 2 0.240 8.895 6.726 1.00 0.00 C ATOM 132 CG GLU A 2 -0.254 9.136 8.148 1.00 0.00 C ATOM 133 CD GLU A 2 0.007 10.543 8.641 1.00 0.00 C ATOM 134 OE1 GLU A 2 -0.600 11.491 8.105 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.818 10.704 9.577 1.00 0.00 O ATOM 0 H GLU A 2 -1.564 6.735 7.372 1.00 0.00 H new ATOM 0 HA GLU A 2 0.296 7.397 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.298 9.152 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.288 9.566 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.324 8.935 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.231 8.427 8.819 1.00 0.00 H new ATOM 142 N GLY A 3 2.178 6.310 6.468 1.00 0.00 N ATOM 143 CA GLY A 3 3.159 5.463 7.117 1.00 0.00 C ATOM 144 C GLY A 3 4.091 4.826 6.109 1.00 0.00 C ATOM 145 O GLY A 3 3.971 5.078 4.909 1.00 0.00 O ATOM 0 H GLY A 3 2.487 6.720 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.738 6.053 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.651 4.685 7.687 1.00 0.00 H new ATOM 149 N VAL A 4 5.022 4.008 6.576 1.00 0.00 N ATOM 150 CA VAL A 4 5.946 3.347 5.669 1.00 0.00 C ATOM 151 C VAL A 4 5.595 1.869 5.533 1.00 0.00 C ATOM 152 O VAL A 4 4.949 1.286 6.407 1.00 0.00 O ATOM 153 CB VAL A 4 7.430 3.486 6.109 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.659 4.774 6.881 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.903 2.274 6.903 1.00 0.00 C ATOM 0 H VAL A 4 5.157 3.788 7.563 1.00 0.00 H new ATOM 0 HA VAL A 4 5.841 3.847 4.706 1.00 0.00 H new ATOM 0 HB VAL A 4 8.031 3.531 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.707 4.841 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.403 5.626 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.032 4.780 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.945 2.412 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.291 2.164 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.812 1.378 6.289 1.00 0.00 H new ATOM 165 N LEU A 5 6.014 1.286 4.426 1.00 0.00 N ATOM 166 CA LEU A 5 5.832 -0.138 4.170 1.00 0.00 C ATOM 167 C LEU A 5 7.132 -0.721 3.652 1.00 0.00 C ATOM 168 O LEU A 5 7.994 0.005 3.146 1.00 0.00 O ATOM 169 CB LEU A 5 4.731 -0.415 3.128 1.00 0.00 C ATOM 170 CG LEU A 5 3.270 -0.259 3.579 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.987 -1.055 4.846 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.920 1.201 3.757 1.00 0.00 C ATOM 0 H LEU A 5 6.492 1.784 3.675 1.00 0.00 H new ATOM 0 HA LEU A 5 5.533 -0.599 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.894 0.252 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.863 -1.433 2.762 1.00 0.00 H new ATOM 0 HG LEU A 5 2.633 -0.667 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.945 -0.921 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.179 -2.112 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.634 -0.703 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.882 1.290 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.571 1.642 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.055 1.725 2.811 1.00 0.00 H new ATOM 184 N TYR A 6 7.268 -2.023 3.794 1.00 0.00 N ATOM 185 CA TYR A 6 8.390 -2.738 3.222 1.00 0.00 C ATOM 186 C TYR A 6 8.268 -2.786 1.705 1.00 0.00 C ATOM 187 O TYR A 6 7.252 -3.218 1.166 1.00 0.00 O ATOM 188 CB TYR A 6 8.476 -4.147 3.834 1.00 0.00 C ATOM 189 CG TYR A 6 8.783 -5.268 2.855 1.00 0.00 C ATOM 190 CD1 TYR A 6 10.090 -5.606 2.538 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.758 -5.994 2.259 1.00 0.00 C ATOM 192 CE1 TYR A 6 10.369 -6.634 1.657 1.00 0.00 C ATOM 193 CE2 TYR A 6 8.031 -7.019 1.378 1.00 0.00 C ATOM 194 CZ TYR A 6 9.335 -7.334 1.078 1.00 0.00 C ATOM 195 OH TYR A 6 9.604 -8.358 0.199 1.00 0.00 O ATOM 0 H TYR A 6 6.610 -2.612 4.305 1.00 0.00 H new ATOM 0 HA TYR A 6 9.315 -2.213 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.245 -4.142 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.530 -4.368 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.904 -5.057 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.731 -5.751 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.393 -6.887 1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.222 -7.573 0.925 1.00 0.00 H new ATOM 0 HH TYR A 6 8.762 -8.748 -0.117 1.00 0.00 H new ATOM 205 N LYS A 7 9.294 -2.304 1.027 1.00 0.00 N ATOM 206 CA LYS A 7 9.343 -2.364 -0.421 1.00 0.00 C ATOM 207 C LYS A 7 10.558 -3.178 -0.847 1.00 0.00 C ATOM 208 O LYS A 7 11.698 -2.805 -0.557 1.00 0.00 O ATOM 209 CB LYS A 7 9.376 -0.941 -1.016 1.00 0.00 C ATOM 210 CG LYS A 7 9.274 -0.882 -2.540 1.00 0.00 C ATOM 211 CD LYS A 7 10.632 -1.045 -3.210 1.00 0.00 C ATOM 212 CE LYS A 7 10.510 -1.218 -4.717 1.00 0.00 C ATOM 213 NZ LYS A 7 9.977 -0.007 -5.395 1.00 0.00 N ATOM 0 H LYS A 7 10.107 -1.865 1.459 1.00 0.00 H new ATOM 0 HA LYS A 7 8.447 -2.854 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.556 -0.364 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.302 -0.455 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.601 -1.666 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.835 0.070 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.249 -0.173 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.143 -1.910 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.489 -1.459 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.857 -2.065 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.915 -0.181 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.031 0.211 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.612 0.798 -5.218 1.00 0.00 H new ATOM 227 N TRP A 8 10.304 -4.302 -1.505 1.00 0.00 N ATOM 228 CA TRP A 8 11.369 -5.162 -1.998 1.00 0.00 C ATOM 229 C TRP A 8 12.080 -4.494 -3.171 1.00 0.00 C ATOM 230 O TRP A 8 11.449 -4.136 -4.165 1.00 0.00 O ATOM 231 CB TRP A 8 10.806 -6.526 -2.422 1.00 0.00 C ATOM 232 CG TRP A 8 11.867 -7.470 -2.911 1.00 0.00 C ATOM 233 CD1 TRP A 8 12.273 -7.652 -4.203 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.666 -8.354 -2.115 1.00 0.00 C ATOM 235 NE1 TRP A 8 13.275 -8.589 -4.256 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.531 -9.038 -2.989 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.732 -8.635 -0.748 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.451 -9.983 -2.541 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.644 -9.572 -0.304 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.494 -10.236 -1.198 1.00 0.00 C ATOM 0 H TRP A 8 9.364 -4.640 -1.710 1.00 0.00 H new ATOM 0 HA TRP A 8 12.088 -5.322 -1.195 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.287 -6.978 -1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.066 -6.379 -3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.865 -7.134 -5.058 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.751 -8.900 -5.103 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.081 -8.128 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.106 -10.497 -3.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.703 -9.797 0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.197 -10.962 -0.819 1.00 0.00 H new ATOM 251 N THR A 9 13.386 -4.311 -3.042 1.00 0.00 N ATOM 252 CA THR A 9 14.175 -3.676 -4.087 1.00 0.00 C ATOM 253 C THR A 9 14.978 -4.710 -4.870 1.00 0.00 C ATOM 254 O THR A 9 14.591 -5.113 -5.966 1.00 0.00 O ATOM 255 CB THR A 9 15.122 -2.610 -3.499 1.00 0.00 C ATOM 256 OG1 THR A 9 15.734 -3.098 -2.293 1.00 0.00 O ATOM 257 CG2 THR A 9 14.367 -1.326 -3.207 1.00 0.00 C ATOM 0 H THR A 9 13.923 -4.594 -2.222 1.00 0.00 H new ATOM 0 HA THR A 9 13.480 -3.185 -4.768 1.00 0.00 H new ATOM 0 HB THR A 9 15.898 -2.401 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.698 -3.206 -2.436 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.053 -0.587 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.933 -0.941 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.572 -1.527 -2.488 1.00 0.00 H new ATOM 265 N ASN A 10 16.089 -5.146 -4.293 1.00 0.00 N ATOM 266 CA ASN A 10 16.938 -6.150 -4.914 1.00 0.00 C ATOM 267 C ASN A 10 17.402 -7.134 -3.855 1.00 0.00 C ATOM 268 O ASN A 10 17.338 -6.839 -2.664 1.00 0.00 O ATOM 269 CB ASN A 10 18.159 -5.511 -5.600 1.00 0.00 C ATOM 270 CG ASN A 10 17.788 -4.430 -6.603 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.715 -3.250 -6.259 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.555 -4.820 -7.848 1.00 0.00 N ATOM 0 H ASN A 10 16.424 -4.816 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 10 16.358 -6.666 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.812 -5.083 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.730 -6.288 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.305 -4.133 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.625 -5.807 -8.095 1.00 0.00 H new ATOM 279 N TYR A 11 17.884 -8.292 -4.279 1.00 0.00 N ATOM 280 CA TYR A 11 18.327 -9.318 -3.340 1.00 0.00 C ATOM 281 C TYR A 11 19.546 -8.849 -2.540 1.00 0.00 C ATOM 282 O TYR A 11 19.769 -9.299 -1.419 1.00 0.00 O ATOM 283 CB TYR A 11 18.631 -10.630 -4.077 1.00 0.00 C ATOM 284 CG TYR A 11 19.719 -10.524 -5.124 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.436 -10.054 -6.400 1.00 0.00 C ATOM 286 CD2 TYR A 11 21.028 -10.899 -4.838 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.422 -9.958 -7.359 1.00 0.00 C ATOM 288 CE2 TYR A 11 22.019 -10.804 -5.792 1.00 0.00 C ATOM 289 CZ TYR A 11 21.712 -10.334 -7.051 1.00 0.00 C ATOM 290 OH TYR A 11 22.699 -10.235 -8.002 1.00 0.00 O ATOM 0 H TYR A 11 17.979 -8.547 -5.262 1.00 0.00 H new ATOM 0 HA TYR A 11 17.516 -9.499 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.921 -11.384 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.717 -10.984 -4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 11 18.426 -9.759 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 11 21.272 -11.270 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 11 20.185 -9.590 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 11 23.031 -11.096 -5.554 1.00 0.00 H new ATOM 0 HH TYR A 11 23.550 -10.539 -7.623 1.00 0.00 H new ATOM 300 N LEU A 12 20.331 -7.943 -3.119 1.00 0.00 N ATOM 301 CA LEU A 12 21.514 -7.411 -2.443 1.00 0.00 C ATOM 302 C LEU A 12 21.134 -6.440 -1.324 1.00 0.00 C ATOM 303 O LEU A 12 21.706 -6.479 -0.234 1.00 0.00 O ATOM 304 CB LEU A 12 22.435 -6.713 -3.449 1.00 0.00 C ATOM 305 CG LEU A 12 23.133 -7.642 -4.444 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.941 -6.836 -5.451 1.00 0.00 C ATOM 307 CD2 LEU A 12 24.024 -8.633 -3.707 1.00 0.00 C ATOM 0 H LEU A 12 20.171 -7.562 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 12 22.042 -8.253 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.850 -5.982 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.195 -6.159 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 12 22.373 -8.202 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.430 -7.514 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.277 -6.167 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.695 -6.249 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.514 -9.288 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.779 -8.090 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.418 -9.232 -3.027 1.00 0.00 H new ATOM 319 N THR A 13 20.156 -5.587 -1.594 1.00 0.00 N ATOM 320 CA THR A 13 19.740 -4.563 -0.647 1.00 0.00 C ATOM 321 C THR A 13 18.710 -5.092 0.344 1.00 0.00 C ATOM 322 O THR A 13 18.609 -4.607 1.471 1.00 0.00 O ATOM 323 CB THR A 13 19.159 -3.355 -1.396 1.00 0.00 C ATOM 324 OG1 THR A 13 18.333 -3.806 -2.479 1.00 0.00 O ATOM 325 CG2 THR A 13 20.270 -2.472 -1.935 1.00 0.00 C ATOM 0 H THR A 13 19.632 -5.585 -2.469 1.00 0.00 H new ATOM 0 HA THR A 13 20.624 -4.259 -0.086 1.00 0.00 H new ATOM 0 HB THR A 13 18.559 -2.772 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.003 -4.708 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.836 -1.622 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.882 -2.112 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.891 -3.047 -2.622 1.00 0.00 H new ATOM 333 N GLY A 14 17.944 -6.082 -0.083 1.00 0.00 N ATOM 334 CA GLY A 14 16.920 -6.643 0.766 1.00 0.00 C ATOM 335 C GLY A 14 15.617 -5.891 0.631 1.00 0.00 C ATOM 336 O GLY A 14 14.771 -6.241 -0.191 1.00 0.00 O ATOM 0 H GLY A 14 18.015 -6.508 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.765 -7.691 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.251 -6.616 1.804 1.00 0.00 H new ATOM 340 N TRP A 15 15.465 -4.832 1.409 1.00 0.00 N ATOM 341 CA TRP A 15 14.232 -4.066 1.407 1.00 0.00 C ATOM 342 C TRP A 15 14.504 -2.623 1.813 1.00 0.00 C ATOM 343 O TRP A 15 15.487 -2.339 2.499 1.00 0.00 O ATOM 344 CB TRP A 15 13.217 -4.702 2.365 1.00 0.00 C ATOM 345 CG TRP A 15 13.424 -4.336 3.803 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.409 -4.777 4.640 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.611 -3.448 4.570 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.262 -4.202 5.880 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.164 -3.381 5.860 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.473 -2.699 4.283 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.609 -2.590 6.863 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.920 -1.917 5.275 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.490 -1.864 6.552 1.00 0.00 C ATOM 0 H TRP A 15 16.179 -4.484 2.049 1.00 0.00 H new ATOM 0 HA TRP A 15 13.818 -4.071 0.399 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.213 -4.402 2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.269 -5.786 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.188 -5.474 4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.870 -4.360 6.683 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.030 -2.730 3.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.045 -2.551 7.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.034 -1.337 5.063 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.038 -1.238 7.307 1.00 0.00 H new ATOM 364 N GLN A 16 13.647 -1.716 1.366 1.00 0.00 N ATOM 365 CA GLN A 16 13.732 -0.319 1.767 1.00 0.00 C ATOM 366 C GLN A 16 12.361 0.194 2.201 1.00 0.00 C ATOM 367 O GLN A 16 11.394 0.102 1.442 1.00 0.00 O ATOM 368 CB GLN A 16 14.270 0.547 0.621 1.00 0.00 C ATOM 369 CG GLN A 16 15.747 0.333 0.318 1.00 0.00 C ATOM 370 CD GLN A 16 16.645 0.665 1.499 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.318 1.517 2.329 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.789 0.002 1.578 1.00 0.00 N ATOM 0 H GLN A 16 12.883 -1.924 0.723 1.00 0.00 H new ATOM 0 HA GLN A 16 14.422 -0.252 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.692 0.339 -0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.109 1.597 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.907 -0.705 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.032 0.951 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.024 -0.696 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.435 0.189 2.345 1.00 0.00 H new ATOM 381 N PRO A 17 12.251 0.713 3.434 1.00 0.00 N ATOM 382 CA PRO A 17 11.018 1.338 3.924 1.00 0.00 C ATOM 383 C PRO A 17 10.645 2.577 3.120 1.00 0.00 C ATOM 384 O PRO A 17 11.366 3.578 3.123 1.00 0.00 O ATOM 385 CB PRO A 17 11.353 1.722 5.366 1.00 0.00 C ATOM 386 CG PRO A 17 12.840 1.779 5.410 1.00 0.00 C ATOM 387 CD PRO A 17 13.305 0.713 4.462 1.00 0.00 C ATOM 0 HA PRO A 17 10.162 0.668 3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.912 2.683 5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.964 0.987 6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.205 2.761 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.211 1.597 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.283 0.945 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.392 -0.256 4.953 1.00 0.00 H new ATOM 395 N ARG A 18 9.522 2.503 2.430 1.00 0.00 N ATOM 396 CA ARG A 18 9.054 3.613 1.616 1.00 0.00 C ATOM 397 C ARG A 18 7.808 4.215 2.235 1.00 0.00 C ATOM 398 O ARG A 18 7.073 3.529 2.942 1.00 0.00 O ATOM 399 CB ARG A 18 8.764 3.152 0.186 1.00 0.00 C ATOM 400 CG ARG A 18 10.013 2.802 -0.609 1.00 0.00 C ATOM 401 CD ARG A 18 10.860 4.036 -0.884 1.00 0.00 C ATOM 402 NE ARG A 18 10.159 5.009 -1.726 1.00 0.00 N ATOM 403 CZ ARG A 18 10.627 5.449 -2.896 1.00 0.00 C ATOM 404 NH1 ARG A 18 11.787 5.001 -3.357 1.00 0.00 N ATOM 405 NH2 ARG A 18 9.939 6.341 -3.602 1.00 0.00 N ATOM 0 H ARG A 18 8.914 1.684 2.416 1.00 0.00 H new ATOM 0 HA ARG A 18 9.837 4.371 1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.110 2.281 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.220 3.939 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.603 2.069 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.727 2.337 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.133 4.505 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.788 3.737 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 18 9.263 5.370 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.322 4.320 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.145 5.337 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.049 6.693 -3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.302 6.674 -4.495 1.00 0.00 H new ATOM 419 N TRP A 19 7.563 5.484 1.959 1.00 0.00 N ATOM 420 CA TRP A 19 6.435 6.184 2.552 1.00 0.00 C ATOM 421 C TRP A 19 5.236 6.120 1.617 1.00 0.00 C ATOM 422 O TRP A 19 5.317 6.533 0.460 1.00 0.00 O ATOM 423 CB TRP A 19 6.814 7.642 2.839 1.00 0.00 C ATOM 424 CG TRP A 19 5.783 8.390 3.624 1.00 0.00 C ATOM 425 CD1 TRP A 19 4.737 9.111 3.127 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.709 8.504 5.050 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.013 9.659 4.155 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.590 9.302 5.345 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.479 8.008 6.105 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.220 9.612 6.650 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.113 8.317 7.401 1.00 0.00 C ATOM 432 CH2 TRP A 19 4.992 9.114 7.663 1.00 0.00 C ATOM 0 H TRP A 19 8.129 6.051 1.328 1.00 0.00 H new ATOM 0 HA TRP A 19 6.170 5.702 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.758 7.662 3.384 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.982 8.157 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.512 9.233 2.078 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.180 10.238 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.346 7.393 5.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.354 10.224 6.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.700 7.938 8.224 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.732 9.340 8.686 1.00 0.00 H new ATOM 443 N PHE A 20 4.136 5.581 2.115 1.00 0.00 N ATOM 444 CA PHE A 20 2.926 5.437 1.324 1.00 0.00 C ATOM 445 C PHE A 20 1.782 6.196 1.975 1.00 0.00 C ATOM 446 O PHE A 20 1.722 6.317 3.199 1.00 0.00 O ATOM 447 CB PHE A 20 2.544 3.960 1.171 1.00 0.00 C ATOM 448 CG PHE A 20 3.538 3.133 0.400 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.649 2.594 1.026 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.351 2.885 -0.948 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.554 1.824 0.323 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.255 2.116 -1.659 1.00 0.00 C ATOM 453 CZ PHE A 20 5.358 1.585 -1.022 1.00 0.00 C ATOM 0 H PHE A 20 4.056 5.234 3.071 1.00 0.00 H new ATOM 0 HA PHE A 20 3.118 5.851 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.421 3.525 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.576 3.898 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.810 2.778 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.489 3.297 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.415 1.409 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.098 1.931 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.066 0.984 -1.574 1.00 0.00 H new ATOM 463 N VAL A 21 0.887 6.717 1.155 1.00 0.00 N ATOM 464 CA VAL A 21 -0.284 7.418 1.655 1.00 0.00 C ATOM 465 C VAL A 21 -1.538 6.968 0.920 1.00 0.00 C ATOM 466 O VAL A 21 -1.531 6.795 -0.301 1.00 0.00 O ATOM 467 CB VAL A 21 -0.152 8.960 1.553 1.00 0.00 C ATOM 468 CG1 VAL A 21 0.958 9.476 2.459 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.079 9.400 0.115 1.00 0.00 C ATOM 0 H VAL A 21 0.948 6.668 0.138 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.363 7.162 2.712 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.094 9.393 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.028 10.560 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.735 9.213 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.906 9.025 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.167 10.486 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.997 8.948 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.761 9.082 -0.502 1.00 0.00 H new ATOM 479 N LEU A 22 -2.604 6.755 1.672 1.00 0.00 N ATOM 480 CA LEU A 22 -3.887 6.419 1.087 1.00 0.00 C ATOM 481 C LEU A 22 -4.739 7.672 1.103 1.00 0.00 C ATOM 482 O LEU A 22 -4.997 8.237 2.165 1.00 0.00 O ATOM 483 CB LEU A 22 -4.573 5.288 1.884 1.00 0.00 C ATOM 484 CG LEU A 22 -5.792 4.608 1.225 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.995 5.535 1.145 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.436 4.092 -0.160 1.00 0.00 C ATOM 0 H LEU A 22 -2.605 6.809 2.691 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.754 6.061 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.828 4.520 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.890 5.694 2.845 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.068 3.766 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.827 5.012 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.283 5.845 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.738 6.414 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.309 3.616 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.115 4.924 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.628 3.365 -0.081 1.00 0.00 H new ATOM 498 N ASP A 23 -5.153 8.108 -0.073 1.00 0.00 N ATOM 499 CA ASP A 23 -5.966 9.307 -0.193 1.00 0.00 C ATOM 500 C ASP A 23 -7.055 9.113 -1.241 1.00 0.00 C ATOM 501 O ASP A 23 -6.772 9.047 -2.439 1.00 0.00 O ATOM 502 CB ASP A 23 -5.093 10.520 -0.555 1.00 0.00 C ATOM 503 CG ASP A 23 -5.891 11.813 -0.634 1.00 0.00 C ATOM 504 OD1 ASP A 23 -6.463 12.102 -1.708 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.941 12.556 0.370 1.00 0.00 O ATOM 0 H ASP A 23 -4.940 7.650 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.439 9.494 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.304 10.630 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.606 10.339 -1.513 1.00 0.00 H new ATOM 510 N ASN A 24 -8.294 8.991 -0.768 1.00 0.00 N ATOM 511 CA ASN A 24 -9.478 8.932 -1.628 1.00 0.00 C ATOM 512 C ASN A 24 -9.358 7.870 -2.724 1.00 0.00 C ATOM 513 O ASN A 24 -9.410 8.180 -3.917 1.00 0.00 O ATOM 514 CB ASN A 24 -9.748 10.303 -2.253 1.00 0.00 C ATOM 515 CG ASN A 24 -10.126 11.355 -1.226 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.298 11.500 -0.870 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.143 12.109 -0.757 1.00 0.00 N ATOM 0 H ASN A 24 -8.507 8.930 0.228 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.317 8.646 -0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.860 10.632 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.551 10.212 -2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.343 12.842 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.186 11.957 -1.077 1.00 0.00 H new ATOM 524 N GLY A 25 -9.213 6.619 -2.312 1.00 0.00 N ATOM 525 CA GLY A 25 -9.167 5.513 -3.255 1.00 0.00 C ATOM 526 C GLY A 25 -7.841 5.377 -3.977 1.00 0.00 C ATOM 527 O GLY A 25 -7.637 4.429 -4.737 1.00 0.00 O ATOM 0 H GLY A 25 -9.125 6.346 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.377 4.585 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.959 5.643 -3.992 1.00 0.00 H new ATOM 531 N ILE A 26 -6.942 6.318 -3.757 1.00 0.00 N ATOM 532 CA ILE A 26 -5.647 6.290 -4.415 1.00 0.00 C ATOM 533 C ILE A 26 -4.538 6.016 -3.408 1.00 0.00 C ATOM 534 O ILE A 26 -4.502 6.607 -2.330 1.00 0.00 O ATOM 535 CB ILE A 26 -5.355 7.615 -5.159 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.490 7.953 -6.136 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.022 7.534 -5.895 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.794 6.853 -7.133 1.00 0.00 C ATOM 0 H ILE A 26 -7.083 7.110 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.677 5.484 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.293 8.413 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.393 8.172 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.229 8.860 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.834 8.475 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.222 7.347 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.056 6.722 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.607 7.169 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.906 6.648 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.088 5.949 -6.599 1.00 0.00 H new ATOM 550 N LEU A 27 -3.653 5.098 -3.758 1.00 0.00 N ATOM 551 CA LEU A 27 -2.513 4.771 -2.922 1.00 0.00 C ATOM 552 C LEU A 27 -1.248 5.306 -3.590 1.00 0.00 C ATOM 553 O LEU A 27 -0.830 4.815 -4.638 1.00 0.00 O ATOM 554 CB LEU A 27 -2.444 3.243 -2.710 1.00 0.00 C ATOM 555 CG LEU A 27 -1.536 2.739 -1.574 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.063 2.837 -1.951 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.814 3.503 -0.283 1.00 0.00 C ATOM 0 H LEU A 27 -3.705 4.562 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.611 5.235 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.455 2.880 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.108 2.786 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.766 1.686 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.549 2.473 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.127 2.232 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.191 3.876 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.162 3.131 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.625 4.565 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.855 3.359 0.008 1.00 0.00 H new ATOM 569 N SER A 28 -0.647 6.317 -2.990 1.00 0.00 N ATOM 570 CA SER A 28 0.518 6.960 -3.578 1.00 0.00 C ATOM 571 C SER A 28 1.783 6.599 -2.814 1.00 0.00 C ATOM 572 O SER A 28 1.753 6.407 -1.596 1.00 0.00 O ATOM 573 CB SER A 28 0.327 8.476 -3.605 1.00 0.00 C ATOM 574 OG SER A 28 -0.818 8.829 -4.363 1.00 0.00 O ATOM 0 H SER A 28 -0.944 6.711 -2.097 1.00 0.00 H new ATOM 0 HA SER A 28 0.626 6.600 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.224 8.852 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.211 8.950 -4.032 1.00 0.00 H new ATOM 0 HG SER A 28 -0.605 8.782 -5.318 1.00 0.00 H new ATOM 580 N TYR A 29 2.887 6.496 -3.542 1.00 0.00 N ATOM 581 CA TYR A 29 4.166 6.135 -2.953 1.00 0.00 C ATOM 582 C TYR A 29 5.153 7.286 -3.066 1.00 0.00 C ATOM 583 O TYR A 29 5.265 7.923 -4.113 1.00 0.00 O ATOM 584 CB TYR A 29 4.734 4.876 -3.620 1.00 0.00 C ATOM 585 CG TYR A 29 4.902 4.980 -5.126 1.00 0.00 C ATOM 586 CD1 TYR A 29 3.825 4.779 -5.985 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.137 5.283 -5.689 1.00 0.00 C ATOM 588 CE1 TYR A 29 3.975 4.876 -7.356 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.293 5.382 -7.059 1.00 0.00 C ATOM 590 CZ TYR A 29 5.209 5.180 -7.887 1.00 0.00 C ATOM 591 OH TYR A 29 5.362 5.279 -9.251 1.00 0.00 O ATOM 0 H TYR A 29 2.920 6.659 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 29 4.005 5.922 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.703 4.650 -3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.077 4.035 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.855 4.543 -5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.989 5.444 -5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.129 4.714 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.260 5.617 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 29 6.293 5.501 -9.460 1.00 0.00 H new ATOM 601 N TYR A 30 5.862 7.549 -1.983 1.00 0.00 N ATOM 602 CA TYR A 30 6.833 8.629 -1.946 1.00 0.00 C ATOM 603 C TYR A 30 8.160 8.141 -1.388 1.00 0.00 C ATOM 604 O TYR A 30 8.238 7.077 -0.762 1.00 0.00 O ATOM 605 CB TYR A 30 6.293 9.797 -1.120 1.00 0.00 C ATOM 606 CG TYR A 30 5.206 10.570 -1.831 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.532 11.491 -2.817 1.00 0.00 C ATOM 608 CD2 TYR A 30 3.861 10.381 -1.530 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.557 12.202 -3.483 1.00 0.00 C ATOM 610 CE2 TYR A 30 2.878 11.091 -2.194 1.00 0.00 C ATOM 611 CZ TYR A 30 3.233 12.001 -3.170 1.00 0.00 C ATOM 612 OH TYR A 30 2.260 12.706 -3.843 1.00 0.00 O ATOM 0 H TYR A 30 5.783 7.025 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 30 7.005 8.976 -2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.903 9.417 -0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.113 10.473 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.570 11.654 -3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.581 9.670 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.832 12.914 -4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.837 10.935 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 30 1.377 12.449 -3.505 1.00 0.00 H new ATOM 622 N ASP A 31 9.210 8.904 -1.659 1.00 0.00 N ATOM 623 CA ASP A 31 10.565 8.532 -1.262 1.00 0.00 C ATOM 624 C ASP A 31 10.809 8.875 0.200 1.00 0.00 C ATOM 625 O ASP A 31 11.642 8.261 0.868 1.00 0.00 O ATOM 626 CB ASP A 31 11.592 9.240 -2.151 1.00 0.00 C ATOM 627 CG ASP A 31 12.991 8.680 -1.980 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.195 7.486 -2.275 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.895 9.434 -1.564 1.00 0.00 O ATOM 0 H ASP A 31 9.150 9.792 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 31 10.676 7.455 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.291 9.146 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.599 10.304 -1.916 1.00 0.00 H new ATOM 634 N SER A 32 10.069 9.856 0.693 1.00 0.00 N ATOM 635 CA SER A 32 10.177 10.278 2.080 1.00 0.00 C ATOM 636 C SER A 32 8.919 11.042 2.483 1.00 0.00 C ATOM 637 O SER A 32 7.971 11.130 1.704 1.00 0.00 O ATOM 638 CB SER A 32 11.431 11.143 2.281 1.00 0.00 C ATOM 639 OG SER A 32 11.686 11.382 3.655 1.00 0.00 O ATOM 0 H SER A 32 9.383 10.378 0.148 1.00 0.00 H new ATOM 0 HA SER A 32 10.271 9.398 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.291 10.647 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.305 12.094 1.763 1.00 0.00 H new ATOM 0 HG SER A 32 12.491 11.933 3.747 1.00 0.00 H new ATOM 645 N GLN A 33 8.915 11.598 3.683 1.00 0.00 N ATOM 646 CA GLN A 33 7.748 12.309 4.188 1.00 0.00 C ATOM 647 C GLN A 33 7.595 13.663 3.492 1.00 0.00 C ATOM 648 O GLN A 33 6.515 14.008 3.015 1.00 0.00 O ATOM 649 CB GLN A 33 7.852 12.494 5.702 1.00 0.00 C ATOM 650 CG GLN A 33 6.638 13.174 6.311 1.00 0.00 C ATOM 651 CD GLN A 33 6.738 13.323 7.815 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.424 12.396 8.465 1.00 0.00 O flip ATOM 653 NE2 GLN A 33 6.206 14.271 8.390 1.00 0.00 N flip ATOM 0 H GLN A 33 9.706 11.572 4.327 1.00 0.00 H new ATOM 0 HA GLN A 33 6.862 11.712 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.987 11.520 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.741 13.083 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.516 14.159 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.745 12.599 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.685 14.965 7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.285 14.363 9.403 1.00 0.00 H new ATOM 662 N ASP A 34 8.687 14.415 3.416 1.00 0.00 N ATOM 663 CA ASP A 34 8.672 15.732 2.774 1.00 0.00 C ATOM 664 C ASP A 34 8.432 15.600 1.274 1.00 0.00 C ATOM 665 O ASP A 34 7.926 16.515 0.622 1.00 0.00 O ATOM 666 CB ASP A 34 9.990 16.457 3.034 1.00 0.00 C ATOM 667 CG ASP A 34 10.044 17.829 2.396 1.00 0.00 C ATOM 668 OD1 ASP A 34 9.329 18.740 2.870 1.00 0.00 O ATOM 669 OD2 ASP A 34 10.818 18.012 1.435 1.00 0.00 O ATOM 0 H ASP A 34 9.595 14.139 3.789 1.00 0.00 H new ATOM 0 HA ASP A 34 7.856 16.314 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.138 16.556 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.813 15.852 2.653 1.00 0.00 H new ATOM 674 N ASP A 35 8.770 14.431 0.745 1.00 0.00 N ATOM 675 CA ASP A 35 8.617 14.141 -0.677 1.00 0.00 C ATOM 676 C ASP A 35 7.138 14.111 -1.066 1.00 0.00 C ATOM 677 O ASP A 35 6.781 14.316 -2.225 1.00 0.00 O ATOM 678 CB ASP A 35 9.292 12.805 -1.002 1.00 0.00 C ATOM 679 CG ASP A 35 9.203 12.432 -2.468 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.650 13.229 -3.318 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.696 11.329 -2.770 1.00 0.00 O ATOM 0 H ASP A 35 9.157 13.658 1.287 1.00 0.00 H new ATOM 0 HA ASP A 35 9.097 14.930 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.341 12.855 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.831 12.018 -0.405 1.00 0.00 H new ATOM 686 N VAL A 36 6.282 13.897 -0.073 1.00 0.00 N ATOM 687 CA VAL A 36 4.837 13.871 -0.283 1.00 0.00 C ATOM 688 C VAL A 36 4.338 15.219 -0.801 1.00 0.00 C ATOM 689 O VAL A 36 3.420 15.284 -1.619 1.00 0.00 O ATOM 690 CB VAL A 36 4.086 13.521 1.024 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.579 13.612 0.837 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.480 12.135 1.509 1.00 0.00 C ATOM 0 H VAL A 36 6.566 13.738 0.894 1.00 0.00 H new ATOM 0 HA VAL A 36 4.634 13.100 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 36 4.373 14.251 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.080 13.360 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.309 14.627 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.266 12.914 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.943 11.905 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.227 11.397 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.553 12.107 1.699 1.00 0.00 H new ATOM 782 N SER A 43 1.122 6.759 -9.181 1.00 0.00 N ATOM 783 CA SER A 43 0.425 6.292 -7.998 1.00 0.00 C ATOM 784 C SER A 43 -0.330 5.015 -8.321 1.00 0.00 C ATOM 785 O SER A 43 -0.403 4.607 -9.481 1.00 0.00 O ATOM 786 CB SER A 43 -0.552 7.360 -7.500 1.00 0.00 C ATOM 787 OG SER A 43 0.131 8.536 -7.098 1.00 0.00 O ATOM 0 HA SER A 43 1.155 6.093 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.263 7.602 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.128 6.967 -6.662 1.00 0.00 H new ATOM 0 HG SER A 43 0.945 8.640 -7.633 1.00 0.00 H new ATOM 793 N ILE A 44 -0.906 4.400 -7.305 1.00 0.00 N ATOM 794 CA ILE A 44 -1.631 3.162 -7.482 1.00 0.00 C ATOM 795 C ILE A 44 -3.119 3.386 -7.273 1.00 0.00 C ATOM 796 O ILE A 44 -3.559 3.831 -6.212 1.00 0.00 O ATOM 797 CB ILE A 44 -1.136 2.075 -6.505 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.351 1.789 -6.736 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.959 0.803 -6.666 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.951 0.804 -5.752 1.00 0.00 C ATOM 0 H ILE A 44 -0.884 4.742 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.452 2.820 -8.501 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.262 2.439 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.483 1.403 -7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.904 2.727 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.598 0.046 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.007 1.019 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.862 0.434 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.006 0.655 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.853 1.196 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.426 -0.148 -5.825 1.00 0.00 H new ATOM 812 N LYS A 45 -3.883 3.089 -8.302 1.00 0.00 N ATOM 813 CA LYS A 45 -5.324 3.215 -8.247 1.00 0.00 C ATOM 814 C LYS A 45 -5.921 1.975 -7.602 1.00 0.00 C ATOM 815 O LYS A 45 -5.921 0.905 -8.201 1.00 0.00 O ATOM 816 CB LYS A 45 -5.884 3.411 -9.661 1.00 0.00 C ATOM 817 CG LYS A 45 -7.364 3.098 -9.781 1.00 0.00 C ATOM 818 CD LYS A 45 -7.868 3.271 -11.202 1.00 0.00 C ATOM 819 CE LYS A 45 -7.763 4.712 -11.662 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.220 4.877 -13.066 1.00 0.00 N ATOM 0 H LYS A 45 -3.525 2.755 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.590 4.084 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.714 4.442 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.330 2.776 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.546 2.074 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.928 3.750 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.293 2.632 -11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.906 2.944 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.361 5.347 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.730 5.047 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.133 5.875 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.633 4.290 -13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.214 4.581 -13.145 1.00 0.00 H new ATOM 834 N MET A 46 -6.425 2.115 -6.380 1.00 0.00 N ATOM 835 CA MET A 46 -6.992 0.976 -5.665 1.00 0.00 C ATOM 836 C MET A 46 -8.214 0.430 -6.387 1.00 0.00 C ATOM 837 O MET A 46 -8.513 -0.751 -6.301 1.00 0.00 O ATOM 838 CB MET A 46 -7.357 1.346 -4.227 1.00 0.00 C ATOM 839 CG MET A 46 -6.147 1.551 -3.331 1.00 0.00 C ATOM 840 SD MET A 46 -5.021 0.148 -3.365 1.00 0.00 S ATOM 841 CE MET A 46 -6.081 -1.116 -2.680 1.00 0.00 C ATOM 0 H MET A 46 -6.453 2.997 -5.868 1.00 0.00 H new ATOM 0 HA MET A 46 -6.227 0.200 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.953 2.259 -4.235 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.983 0.560 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.614 2.449 -3.645 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.481 1.720 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.561 -2.074 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.337 -0.858 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.992 -1.188 -3.274 1.00 0.00 H new ATOM 851 N ALA A 47 -8.898 1.294 -7.125 1.00 0.00 N ATOM 852 CA ALA A 47 -10.094 0.901 -7.864 1.00 0.00 C ATOM 853 C ALA A 47 -9.775 -0.093 -8.983 1.00 0.00 C ATOM 854 O ALA A 47 -10.672 -0.737 -9.524 1.00 0.00 O ATOM 855 CB ALA A 47 -10.780 2.134 -8.429 1.00 0.00 C ATOM 0 H ALA A 47 -8.645 2.277 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.766 0.399 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.672 1.834 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.064 2.799 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.097 2.655 -9.100 1.00 0.00 H new ATOM 861 N VAL A 48 -8.497 -0.204 -9.333 1.00 0.00 N ATOM 862 CA VAL A 48 -8.066 -1.133 -10.371 1.00 0.00 C ATOM 863 C VAL A 48 -6.980 -2.066 -9.826 1.00 0.00 C ATOM 864 O VAL A 48 -6.457 -2.931 -10.531 1.00 0.00 O ATOM 865 CB VAL A 48 -7.541 -0.368 -11.608 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.176 0.243 -11.340 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.500 -1.258 -12.839 1.00 0.00 C ATOM 0 H VAL A 48 -7.742 0.338 -8.913 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.925 -1.730 -10.677 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.242 0.443 -11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.834 0.774 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.247 0.940 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.466 -0.546 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.126 -0.687 -13.689 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.841 -2.106 -12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.504 -1.621 -13.059 1.00 0.00 H new ATOM 877 N CYS A 49 -6.661 -1.887 -8.556 1.00 0.00 N ATOM 878 CA CYS A 49 -5.607 -2.647 -7.911 1.00 0.00 C ATOM 879 C CYS A 49 -6.126 -3.301 -6.643 1.00 0.00 C ATOM 880 O CYS A 49 -6.690 -2.637 -5.776 1.00 0.00 O ATOM 881 CB CYS A 49 -4.430 -1.730 -7.578 1.00 0.00 C ATOM 882 SG CYS A 49 -3.117 -2.519 -6.623 1.00 0.00 S ATOM 0 H CYS A 49 -7.124 -1.213 -7.946 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.271 -3.426 -8.595 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.008 -1.349 -8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.801 -0.870 -7.021 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.976 -1.968 -6.916 1.00 0.00 H new ATOM 888 N GLU A 50 -5.923 -4.596 -6.521 1.00 0.00 N ATOM 889 CA GLU A 50 -6.398 -5.304 -5.354 1.00 0.00 C ATOM 890 C GLU A 50 -5.367 -5.286 -4.243 1.00 0.00 C ATOM 891 O GLU A 50 -4.172 -5.468 -4.472 1.00 0.00 O ATOM 892 CB GLU A 50 -6.748 -6.754 -5.671 1.00 0.00 C ATOM 893 CG GLU A 50 -8.021 -6.937 -6.468 1.00 0.00 C ATOM 894 CD GLU A 50 -8.530 -8.355 -6.363 1.00 0.00 C ATOM 895 OE1 GLU A 50 -8.011 -9.235 -7.077 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.428 -8.607 -5.532 1.00 0.00 O ATOM 0 H GLU A 50 -5.438 -5.173 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.299 -4.785 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.922 -7.200 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.839 -7.305 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.783 -6.246 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.838 -6.690 -7.514 1.00 0.00 H new ATOM 903 N ILE A 51 -5.852 -5.059 -3.043 1.00 0.00 N ATOM 904 CA ILE A 51 -5.068 -5.271 -1.847 1.00 0.00 C ATOM 905 C ILE A 51 -5.462 -6.622 -1.281 1.00 0.00 C ATOM 906 O ILE A 51 -6.630 -6.861 -0.966 1.00 0.00 O ATOM 907 CB ILE A 51 -5.298 -4.146 -0.809 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.741 -4.519 0.576 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.779 -3.813 -0.713 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.230 -4.588 0.644 1.00 0.00 C ATOM 0 H ILE A 51 -6.799 -4.723 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.005 -5.252 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.755 -3.266 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.092 -3.788 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.150 -5.485 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.927 -3.020 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.141 -3.479 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.332 -4.700 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.923 -4.857 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.868 -5.340 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.809 -3.617 0.383 1.00 0.00 H new ATOM 922 N LYS A 52 -4.509 -7.523 -1.193 1.00 0.00 N ATOM 923 CA LYS A 52 -4.827 -8.887 -0.818 1.00 0.00 C ATOM 924 C LYS A 52 -4.897 -9.011 0.695 1.00 0.00 C ATOM 925 O LYS A 52 -3.882 -8.955 1.392 1.00 0.00 O ATOM 926 CB LYS A 52 -3.801 -9.869 -1.397 1.00 0.00 C ATOM 927 CG LYS A 52 -3.657 -9.804 -2.917 1.00 0.00 C ATOM 928 CD LYS A 52 -4.993 -9.953 -3.637 1.00 0.00 C ATOM 929 CE LYS A 52 -4.841 -10.749 -4.925 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.115 -10.843 -5.694 1.00 0.00 N ATOM 0 H LYS A 52 -3.521 -7.343 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.802 -9.140 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.830 -9.672 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.085 -10.882 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.202 -8.853 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.979 -10.591 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.708 -10.450 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.399 -8.967 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.078 -10.282 -5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.489 -11.753 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.993 -11.504 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.873 -11.187 -5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.369 -9.904 -6.062 1.00 0.00 H new ATOM 944 N VAL A 53 -6.117 -9.173 1.182 1.00 0.00 N ATOM 945 CA VAL A 53 -6.391 -9.269 2.603 1.00 0.00 C ATOM 946 C VAL A 53 -7.364 -10.412 2.848 1.00 0.00 C ATOM 947 O VAL A 53 -8.391 -10.510 2.177 1.00 0.00 O ATOM 948 CB VAL A 53 -6.979 -7.944 3.151 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.374 -8.091 4.611 1.00 0.00 C ATOM 950 CG2 VAL A 53 -5.976 -6.810 2.983 1.00 0.00 C ATOM 0 H VAL A 53 -6.949 -9.242 0.596 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.455 -9.460 3.127 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.875 -7.705 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.784 -7.148 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.125 -8.875 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.496 -8.356 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.403 -5.886 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.064 -7.047 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.742 -6.685 1.926 1.00 0.00 H new ATOM 1025 N THR A 59 1.847 -8.588 9.535 1.00 0.00 N ATOM 1026 CA THR A 59 2.275 -7.768 8.391 1.00 0.00 C ATOM 1027 C THR A 59 2.357 -8.571 7.080 1.00 0.00 C ATOM 1028 O THR A 59 3.439 -8.959 6.643 1.00 0.00 O ATOM 1029 CB THR A 59 3.628 -7.069 8.671 1.00 0.00 C ATOM 1030 OG1 THR A 59 4.665 -8.019 8.953 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.499 -6.121 9.845 1.00 0.00 C ATOM 0 HA THR A 59 1.505 -7.008 8.262 1.00 0.00 H new ATOM 0 HB THR A 59 3.896 -6.514 7.772 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.668 -8.715 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.458 -5.637 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.748 -5.364 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.198 -6.679 10.732 1.00 0.00 H new ATOM 1039 N ARG A 60 1.211 -8.814 6.451 1.00 0.00 N ATOM 1040 CA ARG A 60 1.171 -9.599 5.224 1.00 0.00 C ATOM 1041 C ARG A 60 0.087 -9.089 4.267 1.00 0.00 C ATOM 1042 O ARG A 60 -1.092 -9.402 4.420 1.00 0.00 O ATOM 1043 CB ARG A 60 0.957 -11.083 5.572 1.00 0.00 C ATOM 1044 CG ARG A 60 -0.214 -11.340 6.515 1.00 0.00 C ATOM 1045 CD ARG A 60 -1.425 -11.916 5.793 1.00 0.00 C ATOM 1046 NE ARG A 60 -1.348 -13.368 5.632 1.00 0.00 N ATOM 1047 CZ ARG A 60 -1.311 -13.995 4.458 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -1.218 -13.298 3.331 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -1.349 -15.320 4.416 1.00 0.00 N ATOM 0 H ARG A 60 0.302 -8.480 6.770 1.00 0.00 H new ATOM 0 HA ARG A 60 2.124 -9.491 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.796 -11.642 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.868 -11.473 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.099 -12.029 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.495 -10.407 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.328 -11.663 6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.514 -11.450 4.812 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.321 -13.939 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.175 -12.279 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.190 -13.781 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.406 -15.856 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.321 -15.803 3.518 1.00 0.00 H new ATOM 1063 N MET A 61 0.481 -8.267 3.299 1.00 0.00 N ATOM 1064 CA MET A 61 -0.459 -7.771 2.295 1.00 0.00 C ATOM 1065 C MET A 61 0.206 -7.727 0.921 1.00 0.00 C ATOM 1066 O MET A 61 1.432 -7.659 0.817 1.00 0.00 O ATOM 1067 CB MET A 61 -0.986 -6.372 2.660 1.00 0.00 C ATOM 1068 CG MET A 61 -1.369 -6.218 4.118 1.00 0.00 C ATOM 1069 SD MET A 61 -0.113 -5.366 5.097 1.00 0.00 S ATOM 1070 CE MET A 61 -0.481 -3.660 4.690 1.00 0.00 C ATOM 0 H MET A 61 1.438 -7.931 3.187 1.00 0.00 H new ATOM 0 HA MET A 61 -1.304 -8.459 2.267 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.223 -5.633 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.855 -6.150 2.041 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.307 -5.667 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.547 -7.204 4.546 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.112 -2.999 5.322 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.239 -3.475 3.643 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.541 -3.467 4.857 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.604 -7.774 -0.127 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.103 -7.710 -1.494 1.00 0.00 C ATOM 1082 C GLU A 62 -0.936 -6.735 -2.318 1.00 0.00 C ATOM 1083 O GLU A 62 -2.156 -6.698 -2.192 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.127 -9.099 -2.144 1.00 0.00 C ATOM 1085 CG GLU A 62 0.131 -9.072 -3.644 1.00 0.00 C ATOM 1086 CD GLU A 62 0.153 -10.453 -4.263 1.00 0.00 C ATOM 1087 OE1 GLU A 62 1.207 -11.124 -4.199 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -0.878 -10.872 -4.829 1.00 0.00 O ATOM 0 H GLU A 62 -1.618 -7.857 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 62 0.928 -7.357 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.623 -9.728 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.096 -9.562 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.640 -8.474 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.084 -8.579 -3.835 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.273 -5.932 -3.135 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.960 -5.025 -4.045 1.00 0.00 C ATOM 1097 C LEU A 63 -0.804 -5.536 -5.473 1.00 0.00 C ATOM 1098 O LEU A 63 0.313 -5.683 -5.979 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.389 -3.601 -3.931 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.936 -2.726 -2.791 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.349 -2.257 -3.098 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -0.906 -3.465 -1.459 1.00 0.00 C ATOM 0 H LEU A 63 0.745 -5.889 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.016 -4.989 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.692 -3.676 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.572 -3.085 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.288 -1.854 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.714 -1.640 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.347 -1.672 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.001 -3.122 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.299 -2.818 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.518 -4.364 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.121 -3.742 -1.220 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.923 -5.802 -6.119 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.916 -6.340 -7.468 1.00 0.00 C ATOM 1116 C ILE A 64 -2.698 -5.436 -8.422 1.00 0.00 C ATOM 1117 O ILE A 64 -3.907 -5.255 -8.289 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.468 -7.794 -7.488 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.998 -8.191 -8.876 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.537 -7.986 -6.422 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.926 -8.288 -9.939 1.00 0.00 C ATOM 0 H ILE A 64 -2.854 -5.654 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.883 -6.372 -7.815 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.634 -8.457 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.506 -9.152 -8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.743 -7.461 -9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.906 -9.011 -6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.110 -7.788 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.361 -7.297 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.380 -8.572 -10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.433 -7.322 -10.047 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.192 -9.040 -9.648 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.976 -4.881 -9.385 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.524 -3.973 -10.372 1.00 0.00 C ATOM 1135 C ILE A 65 -2.022 -4.385 -11.756 1.00 0.00 C ATOM 1136 O ILE A 65 -0.813 -4.420 -11.994 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.112 -2.510 -10.031 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.052 -1.606 -11.267 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.766 -2.497 -9.321 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.338 -1.512 -12.051 1.00 0.00 C ATOM 0 H ILE A 65 -0.978 -5.054 -9.501 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.613 -4.021 -10.366 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.885 -2.110 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.762 -0.604 -10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.267 -1.972 -11.928 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.488 -1.469 -9.087 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.836 -3.073 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.009 -2.940 -9.968 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.196 -0.850 -12.906 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.623 -2.503 -12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.126 -1.114 -11.411 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.937 -4.737 -12.675 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.573 -5.168 -14.027 1.00 0.00 C ATOM 1154 C PRO A 66 -1.798 -4.092 -14.778 1.00 0.00 C ATOM 1155 O PRO A 66 -2.340 -3.045 -15.131 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.916 -5.427 -14.710 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.883 -5.618 -13.594 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.396 -4.734 -12.481 1.00 0.00 C ATOM 0 HA PRO A 66 -1.922 -6.042 -14.009 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.205 -4.589 -15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.871 -6.309 -15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.893 -5.344 -13.899 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.917 -6.661 -13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.811 -3.729 -12.552 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.675 -5.125 -11.503 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.525 -4.358 -15.006 1.00 0.00 N ATOM 1167 CA GLY A 67 0.342 -3.398 -15.656 1.00 0.00 C ATOM 1168 C GLY A 67 1.677 -3.308 -14.955 1.00 0.00 C ATOM 1169 O GLY A 67 2.715 -3.624 -15.536 1.00 0.00 O ATOM 0 H GLY A 67 -0.069 -5.234 -14.749 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.493 -3.686 -16.696 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.136 -2.418 -15.662 1.00 0.00 H new ATOM 1173 N GLU A 68 1.648 -2.887 -13.698 1.00 0.00 N ATOM 1174 CA GLU A 68 2.854 -2.834 -12.883 1.00 0.00 C ATOM 1175 C GLU A 68 2.923 -4.048 -11.967 1.00 0.00 C ATOM 1176 O GLU A 68 3.776 -4.916 -12.146 1.00 0.00 O ATOM 1177 CB GLU A 68 2.885 -1.553 -12.050 1.00 0.00 C ATOM 1178 CG GLU A 68 2.767 -0.288 -12.880 1.00 0.00 C ATOM 1179 CD GLU A 68 3.097 0.961 -12.088 1.00 0.00 C ATOM 1180 OE1 GLU A 68 4.293 1.321 -11.999 1.00 0.00 O ATOM 1181 OE2 GLU A 68 2.164 1.589 -11.553 1.00 0.00 O ATOM 0 H GLU A 68 0.802 -2.577 -13.220 1.00 0.00 H new ATOM 0 HA GLU A 68 3.718 -2.839 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.071 -1.580 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.815 -1.520 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.436 -0.357 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.753 -0.208 -13.272 1.00 0.00 H new ATOM 1188 N GLN A 69 1.993 -4.091 -11.006 1.00 0.00 N ATOM 1189 CA GLN A 69 1.880 -5.164 -10.004 1.00 0.00 C ATOM 1190 C GLN A 69 3.219 -5.510 -9.345 1.00 0.00 C ATOM 1191 O GLN A 69 4.179 -4.741 -9.411 1.00 0.00 O ATOM 1192 CB GLN A 69 1.221 -6.432 -10.586 1.00 0.00 C ATOM 1193 CG GLN A 69 2.015 -7.134 -11.680 1.00 0.00 C ATOM 1194 CD GLN A 69 1.502 -8.528 -11.983 1.00 0.00 C ATOM 1195 OE1 GLN A 69 1.034 -9.219 -10.957 1.00 0.00 O flip ATOM 1196 NE2 GLN A 69 1.556 -8.991 -13.119 1.00 0.00 N flip ATOM 0 H GLN A 69 1.282 -3.367 -10.899 1.00 0.00 H new ATOM 0 HA GLN A 69 1.229 -4.768 -9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.050 -7.138 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.243 -6.163 -10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.979 -6.534 -12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.061 -7.195 -11.380 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.924 -8.425 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.233 -9.942 -13.298 1.00 0.00 H new ATOM 1205 N HIS A 70 3.245 -6.658 -8.666 1.00 0.00 N ATOM 1206 CA HIS A 70 4.430 -7.133 -7.958 1.00 0.00 C ATOM 1207 C HIS A 70 4.758 -6.188 -6.801 1.00 0.00 C ATOM 1208 O HIS A 70 5.920 -5.921 -6.494 1.00 0.00 O ATOM 1209 CB HIS A 70 5.625 -7.272 -8.918 1.00 0.00 C ATOM 1210 CG HIS A 70 6.747 -8.130 -8.398 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.713 -8.675 -9.214 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.057 -8.533 -7.140 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.564 -9.373 -8.485 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.188 -9.301 -7.225 1.00 0.00 N ATOM 0 H HIS A 70 2.443 -7.284 -8.593 1.00 0.00 H new ATOM 0 HA HIS A 70 4.222 -8.122 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.271 -7.691 -9.860 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.016 -6.278 -9.137 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.513 -8.293 -6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.422 -9.911 -8.858 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.662 -9.745 -6.439 1.00 0.00 H new ATOM 1223 N PHE A 71 3.719 -5.674 -6.164 1.00 0.00 N ATOM 1224 CA PHE A 71 3.899 -4.840 -4.991 1.00 0.00 C ATOM 1225 C PHE A 71 3.574 -5.639 -3.742 1.00 0.00 C ATOM 1226 O PHE A 71 2.426 -6.018 -3.515 1.00 0.00 O ATOM 1227 CB PHE A 71 3.008 -3.597 -5.059 1.00 0.00 C ATOM 1228 CG PHE A 71 3.328 -2.669 -6.201 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.461 -1.869 -6.167 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.495 -2.593 -7.306 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.756 -1.014 -7.215 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.786 -1.739 -8.355 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.916 -0.949 -8.309 1.00 0.00 C ATOM 0 H PHE A 71 2.748 -5.819 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 71 4.938 -4.513 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.968 -3.913 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.099 -3.047 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.121 -1.914 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.608 -3.208 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.642 -0.398 -7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.128 -1.691 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.143 -0.281 -9.127 1.00 0.00 H new ATOM 1243 N TYR A 72 4.588 -5.919 -2.947 1.00 0.00 N ATOM 1244 CA TYR A 72 4.385 -6.613 -1.693 1.00 0.00 C ATOM 1245 C TYR A 72 4.367 -5.588 -0.573 1.00 0.00 C ATOM 1246 O TYR A 72 5.151 -4.640 -0.586 1.00 0.00 O ATOM 1247 CB TYR A 72 5.487 -7.656 -1.467 1.00 0.00 C ATOM 1248 CG TYR A 72 5.088 -8.767 -0.512 1.00 0.00 C ATOM 1249 CD1 TYR A 72 5.198 -8.608 0.862 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.595 -9.975 -0.992 1.00 0.00 C ATOM 1251 CE1 TYR A 72 4.837 -9.620 1.732 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.231 -10.993 -0.128 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.351 -10.808 1.233 1.00 0.00 C ATOM 1254 OH TYR A 72 3.991 -11.818 2.099 1.00 0.00 O ATOM 0 H TYR A 72 5.558 -5.677 -3.147 1.00 0.00 H new ATOM 0 HA TYR A 72 3.434 -7.146 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.762 -8.095 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.374 -7.156 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.573 -7.676 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.494 -10.122 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.936 -9.480 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.855 -11.927 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 72 3.667 -12.588 1.587 1.00 0.00 H new ATOM 1264 N MET A 73 3.471 -5.764 0.379 1.00 0.00 N ATOM 1265 CA MET A 73 3.315 -4.794 1.444 1.00 0.00 C ATOM 1266 C MET A 73 3.575 -5.463 2.785 1.00 0.00 C ATOM 1267 O MET A 73 3.086 -6.563 3.052 1.00 0.00 O ATOM 1268 CB MET A 73 1.889 -4.235 1.432 1.00 0.00 C ATOM 1269 CG MET A 73 1.780 -2.730 1.646 1.00 0.00 C ATOM 1270 SD MET A 73 1.966 -1.776 0.124 1.00 0.00 S ATOM 1271 CE MET A 73 1.436 -0.149 0.668 1.00 0.00 C ATOM 0 H MET A 73 2.843 -6.566 0.436 1.00 0.00 H new ATOM 0 HA MET A 73 4.026 -3.982 1.293 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.426 -4.485 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.312 -4.739 2.207 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.812 -2.503 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.542 -2.415 2.359 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.850 0.325 -0.119 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.826 -0.246 1.566 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.310 0.464 0.888 1.00 0.00 H new ATOM 1281 N LYS A 74 4.332 -4.790 3.628 1.00 0.00 N ATOM 1282 CA LYS A 74 4.556 -5.249 4.985 1.00 0.00 C ATOM 1283 C LYS A 74 4.719 -4.050 5.899 1.00 0.00 C ATOM 1284 O LYS A 74 5.591 -3.206 5.690 1.00 0.00 O ATOM 1285 CB LYS A 74 5.781 -6.170 5.064 1.00 0.00 C ATOM 1286 CG LYS A 74 6.193 -6.515 6.486 1.00 0.00 C ATOM 1287 CD LYS A 74 7.370 -7.474 6.524 1.00 0.00 C ATOM 1288 CE LYS A 74 7.802 -7.747 7.957 1.00 0.00 C ATOM 1289 NZ LYS A 74 8.888 -8.756 8.035 1.00 0.00 N ATOM 0 H LYS A 74 4.806 -3.917 3.395 1.00 0.00 H new ATOM 0 HA LYS A 74 3.693 -5.831 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.567 -7.092 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.619 -5.690 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.454 -5.601 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.347 -6.959 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.097 -8.410 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.204 -7.054 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.139 -6.818 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.944 -8.094 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.149 -8.909 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.560 -9.652 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.717 -8.415 7.508 1.00 0.00 H new ATOM 1303 N ALA A 75 3.847 -3.972 6.884 1.00 0.00 N ATOM 1304 CA ALA A 75 3.816 -2.856 7.806 1.00 0.00 C ATOM 1305 C ALA A 75 4.861 -3.015 8.904 1.00 0.00 C ATOM 1306 O ALA A 75 5.663 -3.946 8.871 1.00 0.00 O ATOM 1307 CB ALA A 75 2.422 -2.753 8.394 1.00 0.00 C ATOM 0 H ALA A 75 3.139 -4.683 7.068 1.00 0.00 H new ATOM 0 HA ALA A 75 4.057 -1.938 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.382 -1.916 9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.700 -2.593 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.180 -3.676 8.921 1.00 0.00 H new ATOM 1313 N VAL A 76 4.855 -2.102 9.867 1.00 0.00 N ATOM 1314 CA VAL A 76 5.781 -2.172 10.993 1.00 0.00 C ATOM 1315 C VAL A 76 5.525 -3.431 11.818 1.00 0.00 C ATOM 1316 O VAL A 76 6.416 -4.257 12.010 1.00 0.00 O ATOM 1317 CB VAL A 76 5.658 -0.930 11.904 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.613 -1.023 13.085 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.909 0.344 11.110 1.00 0.00 C ATOM 0 H VAL A 76 4.220 -1.304 9.892 1.00 0.00 H new ATOM 0 HA VAL A 76 6.790 -2.203 10.583 1.00 0.00 H new ATOM 0 HB VAL A 76 4.641 -0.898 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.506 -0.136 13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.380 -1.911 13.672 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.638 -1.088 12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.818 1.207 11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.912 0.316 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.177 0.422 10.306 1.00 0.00 H new ATOM 1329 N ASN A 77 4.299 -3.574 12.299 1.00 0.00 N ATOM 1330 CA ASN A 77 3.911 -4.757 13.058 1.00 0.00 C ATOM 1331 C ASN A 77 2.479 -5.154 12.717 1.00 0.00 C ATOM 1332 O ASN A 77 1.805 -4.448 11.968 1.00 0.00 O ATOM 1333 CB ASN A 77 4.054 -4.524 14.569 1.00 0.00 C ATOM 1334 CG ASN A 77 3.074 -3.501 15.108 1.00 0.00 C ATOM 1335 OD1 ASN A 77 1.958 -3.842 15.490 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.485 -2.243 15.150 1.00 0.00 N ATOM 0 H ASN A 77 3.555 -2.887 12.178 1.00 0.00 H new ATOM 0 HA ASN A 77 4.582 -5.570 12.781 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.908 -5.469 15.092 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.070 -4.194 14.785 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.866 -1.516 15.510 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.420 -2.001 14.823 1.00 0.00 H new ATOM 1343 N ALA A 78 2.040 -6.296 13.237 1.00 0.00 N ATOM 1344 CA ALA A 78 0.703 -6.832 12.960 1.00 0.00 C ATOM 1345 C ALA A 78 -0.398 -5.767 13.074 1.00 0.00 C ATOM 1346 O ALA A 78 -1.280 -5.689 12.215 1.00 0.00 O ATOM 1347 CB ALA A 78 0.407 -8.002 13.889 1.00 0.00 C ATOM 0 H ALA A 78 2.597 -6.879 13.862 1.00 0.00 H new ATOM 0 HA ALA A 78 0.703 -7.176 11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.588 -8.393 13.676 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.147 -8.787 13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.450 -7.664 14.924 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.334 -4.941 14.116 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.318 -3.884 14.319 1.00 0.00 C ATOM 1355 C ALA A 79 -1.267 -2.859 13.191 1.00 0.00 C ATOM 1356 O ALA A 79 -2.300 -2.418 12.687 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.078 -3.212 15.651 1.00 0.00 C ATOM 0 H ALA A 79 0.390 -4.985 14.833 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.311 -4.333 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.815 -2.423 15.799 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.168 -3.947 16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.077 -2.781 15.666 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.055 -2.502 12.790 1.00 0.00 N ATOM 1364 CA GLU A 80 0.152 -1.584 11.676 1.00 0.00 C ATOM 1365 C GLU A 80 -0.427 -2.168 10.397 1.00 0.00 C ATOM 1366 O GLU A 80 -1.017 -1.458 9.583 1.00 0.00 O ATOM 1367 CB GLU A 80 1.641 -1.309 11.498 1.00 0.00 C ATOM 1368 CG GLU A 80 2.248 -0.526 12.646 1.00 0.00 C ATOM 1369 CD GLU A 80 1.816 0.924 12.653 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.668 1.198 13.044 1.00 0.00 O ATOM 1371 OE2 GLU A 80 2.628 1.786 12.267 1.00 0.00 O ATOM 0 H GLU A 80 0.806 -2.836 13.222 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.359 -0.646 11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.169 -2.257 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.793 -0.757 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.962 -0.991 13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.335 -0.577 12.582 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.260 -3.473 10.236 1.00 0.00 N ATOM 1379 CA ARG A 81 -0.842 -4.189 9.111 1.00 0.00 C ATOM 1380 C ARG A 81 -2.354 -3.996 9.103 1.00 0.00 C ATOM 1381 O ARG A 81 -2.953 -3.769 8.060 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.492 -5.680 9.198 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.142 -6.533 8.120 1.00 0.00 C ATOM 1384 CD ARG A 81 -1.902 -7.708 8.720 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.983 -7.271 9.605 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.377 -7.943 10.692 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -2.763 -9.061 11.049 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.389 -7.498 11.428 1.00 0.00 N ATOM 0 H ARG A 81 0.277 -4.060 10.874 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.432 -3.791 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.590 -5.793 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.793 -6.057 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.824 -5.920 7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.377 -6.904 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.316 -8.319 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.211 -8.340 9.278 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.465 -6.401 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.984 -9.415 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.069 -9.568 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.871 -6.638 11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.684 -8.016 12.256 1.00 0.00 H new ATOM 1402 N GLN A 82 -2.951 -4.052 10.288 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.391 -3.892 10.442 1.00 0.00 C ATOM 1404 C GLN A 82 -4.826 -2.485 10.047 1.00 0.00 C ATOM 1405 O GLN A 82 -5.905 -2.302 9.492 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.796 -4.185 11.893 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.296 -4.186 12.143 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.030 -5.211 11.300 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.148 -6.371 11.684 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -7.533 -4.789 10.150 1.00 0.00 N ATOM 0 H GLN A 82 -2.453 -4.209 11.164 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.891 -4.600 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.392 -5.156 12.180 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.333 -3.442 12.543 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.484 -4.387 13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.696 -3.194 11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.413 -3.816 9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.041 -5.437 9.547 1.00 0.00 H new ATOM 1419 N ARG A 83 -3.978 -1.499 10.319 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.298 -0.110 10.012 1.00 0.00 C ATOM 1421 C ARG A 83 -4.355 0.126 8.505 1.00 0.00 C ATOM 1422 O ARG A 83 -5.272 0.777 8.003 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.280 0.824 10.666 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.438 0.906 12.172 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.426 1.845 12.801 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.825 2.210 14.156 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.980 2.428 15.159 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.677 2.238 15.007 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.447 2.810 16.337 1.00 0.00 N ATOM 0 H ARG A 83 -3.064 -1.636 10.751 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.286 0.108 10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.273 0.479 10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.383 1.822 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.445 1.245 12.413 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.326 -0.089 12.603 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.446 1.368 12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.330 2.744 12.192 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.822 2.305 14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.309 1.920 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.042 2.410 15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.450 2.936 16.472 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.804 2.979 17.110 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.387 -0.422 7.783 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.409 -0.359 6.327 1.00 0.00 C ATOM 1445 C TRP A 84 -4.563 -1.188 5.789 1.00 0.00 C ATOM 1446 O TRP A 84 -5.185 -0.833 4.795 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.078 -0.819 5.732 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.988 0.173 5.967 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.074 0.162 6.977 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.710 1.335 5.179 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.734 1.269 6.891 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.368 2.001 5.789 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.274 1.882 4.021 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.891 3.188 5.280 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.749 3.053 3.514 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.322 3.696 4.144 1.00 0.00 C ATOM 0 H TRP A 84 -2.583 -0.911 8.177 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.556 0.679 6.029 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.797 -1.777 6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.196 -0.981 4.661 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.004 -0.604 7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.484 1.508 7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.106 1.396 3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.716 3.689 5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.172 3.480 2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.708 4.613 3.725 1.00 0.00 H new ATOM 1467 N LEU A 85 -4.847 -2.288 6.472 1.00 0.00 N ATOM 1468 CA LEU A 85 -5.984 -3.135 6.143 1.00 0.00 C ATOM 1469 C LEU A 85 -7.304 -2.377 6.264 1.00 0.00 C ATOM 1470 O LEU A 85 -8.249 -2.654 5.537 1.00 0.00 O ATOM 1471 CB LEU A 85 -5.995 -4.374 7.034 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.475 -5.649 6.381 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.074 -5.437 5.832 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.491 -6.787 7.385 1.00 0.00 C ATOM 0 H LEU A 85 -4.298 -2.617 7.266 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.878 -3.446 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.396 -4.169 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.016 -4.549 7.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.127 -5.908 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.721 -6.359 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.092 -4.641 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.403 -5.158 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.118 -7.695 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.855 -6.533 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.511 -6.951 7.732 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.381 -1.444 7.202 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.570 -0.624 7.348 1.00 0.00 C ATOM 1488 C VAL A 86 -8.784 0.263 6.123 1.00 0.00 C ATOM 1489 O VAL A 86 -9.867 0.267 5.536 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.486 0.253 8.614 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.618 1.273 8.655 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.505 -0.614 9.864 1.00 0.00 C ATOM 0 H VAL A 86 -6.637 -1.238 7.869 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.419 -1.301 7.443 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.543 0.799 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.532 1.876 9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.557 1.920 7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.576 0.753 8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.445 0.021 10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.430 -1.190 9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.654 -1.295 9.848 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.755 1.003 5.729 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.883 1.913 4.597 1.00 0.00 C ATOM 1504 C ALA A 87 -7.923 1.161 3.267 1.00 0.00 C ATOM 1505 O ALA A 87 -8.812 1.373 2.448 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.739 2.917 4.599 1.00 0.00 C ATOM 0 H ALA A 87 -6.835 0.992 6.169 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.829 2.444 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.845 3.591 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.762 3.493 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.789 2.387 4.525 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.956 0.276 3.070 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.846 -0.483 1.828 1.00 0.00 C ATOM 1514 C LEU A 88 -7.891 -1.594 1.737 1.00 0.00 C ATOM 1515 O LEU A 88 -8.540 -1.760 0.708 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.442 -1.071 1.701 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.321 -0.033 1.606 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -2.984 -0.656 1.977 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.261 0.557 0.200 1.00 0.00 C ATOM 0 H LEU A 88 -6.232 0.064 3.757 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.032 0.206 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.252 -1.713 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.407 -1.706 0.816 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.534 0.770 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.199 0.097 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.030 -1.034 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.764 -1.477 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.459 1.293 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.070 -0.238 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.211 1.038 -0.034 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.059 -2.338 2.823 1.00 0.00 N ATOM 1532 CA GLY A 89 -8.918 -3.513 2.810 1.00 0.00 C ATOM 1533 C GLY A 89 -10.376 -3.185 2.571 1.00 0.00 C ATOM 1534 O GLY A 89 -11.102 -3.972 1.959 1.00 0.00 O ATOM 0 H GLY A 89 -7.613 -2.149 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.575 -4.197 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.821 -4.036 3.762 1.00 0.00 H new ATOM 1538 N SER A 90 -10.810 -2.026 3.048 1.00 0.00 N ATOM 1539 CA SER A 90 -12.178 -1.586 2.837 1.00 0.00 C ATOM 1540 C SER A 90 -12.421 -1.290 1.360 1.00 0.00 C ATOM 1541 O SER A 90 -13.549 -1.373 0.882 1.00 0.00 O ATOM 1542 CB SER A 90 -12.479 -0.360 3.696 1.00 0.00 C ATOM 1543 OG SER A 90 -11.547 0.679 3.460 1.00 0.00 O ATOM 0 H SER A 90 -10.234 -1.376 3.583 1.00 0.00 H new ATOM 0 HA SER A 90 -12.854 -2.387 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.486 -0.003 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.457 -0.638 4.750 1.00 0.00 H new ATOM 0 HG SER A 90 -10.929 0.743 4.218 1.00 0.00 H new ATOM 1549 N SER A 91 -11.350 -0.959 0.646 1.00 0.00 N ATOM 1550 CA SER A 91 -11.428 -0.733 -0.788 1.00 0.00 C ATOM 1551 C SER A 91 -11.748 -2.039 -1.508 1.00 0.00 C ATOM 1552 O SER A 91 -12.513 -2.050 -2.467 1.00 0.00 O ATOM 1553 CB SER A 91 -10.110 -0.145 -1.306 1.00 0.00 C ATOM 1554 OG SER A 91 -10.178 0.147 -2.692 1.00 0.00 O ATOM 0 H SER A 91 -10.417 -0.842 1.041 1.00 0.00 H new ATOM 0 HA SER A 91 -12.227 -0.019 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.874 0.764 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.299 -0.850 -1.121 1.00 0.00 H new ATOM 0 HG SER A 91 -9.867 1.063 -2.849 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.171 -3.143 -1.036 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.438 -4.447 -1.612 1.00 0.00 C ATOM 1562 C LYS A 92 -12.876 -4.883 -1.339 1.00 0.00 C ATOM 1563 O LYS A 92 -13.474 -5.623 -2.127 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.439 -5.471 -1.064 1.00 0.00 C ATOM 1565 CG LYS A 92 -11.018 -6.864 -0.860 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.935 -7.930 -0.781 1.00 0.00 C ATOM 1567 CE LYS A 92 -9.343 -8.217 -2.155 1.00 0.00 C ATOM 1568 NZ LYS A 92 -10.350 -8.808 -3.081 1.00 0.00 N ATOM 0 H LYS A 92 -10.515 -3.154 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.316 -4.384 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.593 -5.538 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.051 -5.109 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.609 -6.880 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.696 -7.098 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.147 -7.602 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.353 -8.846 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.954 -7.293 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.500 -8.900 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.882 -9.098 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.789 -9.638 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.083 -8.101 -3.294 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.424 -4.418 -0.227 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.768 -4.779 0.175 1.00 0.00 C ATOM 1584 C ALA A 93 -15.812 -4.058 -0.676 1.00 0.00 C ATOM 1585 O ALA A 93 -16.271 -2.972 -0.324 1.00 0.00 O ATOM 1586 CB ALA A 93 -14.955 -4.478 1.652 1.00 0.00 C ATOM 0 H ALA A 93 -12.950 -3.784 0.416 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.909 -5.848 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.967 -4.750 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.236 -5.054 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.797 -3.414 1.829 1.00 0.00 H new