USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 794 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 41 HIS : no HE2:sc= -1.91 K(o=-1.1,f=-6.3!) USER MOD Set 1.2: A 44 THR OG1 : rot 59:sc= 0.84 USER MOD Single : A 17 GLN :FLIP amide:sc= -1.53 F(o=-2.2!,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.0805 (180deg=-0.773) USER MOD Single : A 27 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.4) USER MOD Single : A 36 THR OG1 : rot -100:sc= 0.0581 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.4!) USER MOD Single : A 55 HIS : no HE2:sc=-0.00734 K(o=-0.0073,f=-0.65) USER MOD Single : A 57 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.83 X(o=-0.83,f=-1) USER MOD Single : A 67 CYS SG : rot -33:sc= 0.153 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00377 X(o=-0.0038,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 95 CYS SG : rot -26:sc= -0.0686 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.13) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -147:sc= -0.0895 (180deg=-1.14) USER MOD Single : A 113 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.2) USER MOD Single : A 114 SER OG : rot -67:sc= 0.826 USER MOD Single : A 115 THR OG1 : rot -10:sc= 0.796 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.679 6.170 9.163 1.00 0.00 N ATOM 67 CA LEU A 8 -1.096 4.860 8.674 1.00 0.00 C ATOM 68 C LEU A 8 -2.303 4.981 7.750 1.00 0.00 C ATOM 69 O LEU A 8 -3.267 5.681 8.059 1.00 0.00 O ATOM 70 CB LEU A 8 -1.429 3.938 9.849 1.00 0.00 C ATOM 71 CG LEU A 8 -1.683 2.471 9.500 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.385 1.679 9.545 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.711 1.868 10.447 1.00 0.00 C ATOM 0 HA LEU A 8 -0.270 4.432 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.608 3.984 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.313 4.329 10.353 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.080 2.422 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.585 0.637 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.321 2.096 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.041 1.735 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.880 0.824 10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.342 1.929 11.471 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.648 2.419 10.365 1.00 0.00 H new ATOM 85 N VAL A 9 -2.243 4.293 6.614 1.00 0.00 N ATOM 86 CA VAL A 9 -3.333 4.321 5.646 1.00 0.00 C ATOM 87 C VAL A 9 -4.418 3.313 6.009 1.00 0.00 C ATOM 88 O VAL A 9 -5.559 3.686 6.280 1.00 0.00 O ATOM 89 CB VAL A 9 -2.826 4.022 4.222 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.972 4.082 3.224 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.721 4.993 3.836 1.00 0.00 C ATOM 0 H VAL A 9 -1.452 3.710 6.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.753 5.327 5.672 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.414 3.013 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.595 3.868 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.727 3.344 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.416 5.077 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.374 4.768 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.105 6.013 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.890 4.896 4.535 1.00 0.00 H new ATOM 101 N ARG A 10 -4.053 2.035 6.014 1.00 0.00 N ATOM 102 CA ARG A 10 -4.995 0.973 6.344 1.00 0.00 C ATOM 103 C ARG A 10 -4.284 -0.192 7.027 1.00 0.00 C ATOM 104 O ARG A 10 -3.065 -0.329 6.933 1.00 0.00 O ATOM 105 CB ARG A 10 -5.705 0.481 5.081 1.00 0.00 C ATOM 106 CG ARG A 10 -6.878 -0.443 5.362 1.00 0.00 C ATOM 107 CD ARG A 10 -7.821 -0.525 4.172 1.00 0.00 C ATOM 108 NE ARG A 10 -8.785 -1.613 4.311 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.904 -1.517 5.020 1.00 0.00 C ATOM 110 NH1 ARG A 10 -10.199 -0.388 5.651 1.00 0.00 N ATOM 111 NH2 ARG A 10 -10.732 -2.551 5.099 1.00 0.00 N ATOM 0 H ARG A 10 -3.112 1.710 5.793 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.735 1.380 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.060 1.342 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.986 -0.041 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.508 -1.439 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.423 -0.085 6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.354 0.420 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.242 -0.668 3.260 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.588 -2.495 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.566 0.409 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.059 -0.317 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.509 -3.421 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.591 -2.476 5.644 1.00 0.00 H new ATOM 125 N GLY A 11 -5.056 -1.028 7.715 1.00 0.00 N ATOM 126 CA GLY A 11 -4.482 -2.169 8.404 1.00 0.00 C ATOM 127 C GLY A 11 -5.367 -3.398 8.326 1.00 0.00 C ATOM 128 O GLY A 11 -6.439 -3.363 7.723 1.00 0.00 O ATOM 0 H GLY A 11 -6.068 -0.936 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.508 -2.398 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.314 -1.911 9.450 1.00 0.00 H new ATOM 132 N GLY A 12 -4.916 -4.489 8.937 1.00 0.00 N ATOM 133 CA GLY A 12 -5.686 -5.720 8.922 1.00 0.00 C ATOM 134 C GLY A 12 -4.807 -6.953 8.870 1.00 0.00 C ATOM 135 O GLY A 12 -3.616 -6.887 9.174 1.00 0.00 O ATOM 0 H GLY A 12 -4.031 -4.543 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.314 -5.763 9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.354 -5.717 8.060 1.00 0.00 H new ATOM 139 N TRP A 13 -5.394 -8.081 8.487 1.00 0.00 N ATOM 140 CA TRP A 13 -4.656 -9.335 8.398 1.00 0.00 C ATOM 141 C TRP A 13 -4.763 -9.933 7.000 1.00 0.00 C ATOM 142 O TRP A 13 -5.853 -10.022 6.434 1.00 0.00 O ATOM 143 CB TRP A 13 -5.178 -10.332 9.434 1.00 0.00 C ATOM 144 CG TRP A 13 -4.859 -9.944 10.846 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.595 -9.129 11.658 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.721 -10.353 11.611 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.983 -9.007 12.882 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.831 -9.749 12.879 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.619 -11.173 11.350 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.881 -9.938 13.879 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.677 -11.360 12.343 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.813 -10.746 13.595 1.00 0.00 C ATOM 0 H TRP A 13 -6.379 -8.153 8.233 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.606 -9.125 8.603 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.259 -10.425 9.326 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.752 -11.314 9.230 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.522 -8.651 11.379 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.330 -8.454 13.666 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.506 -11.652 10.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.983 -9.464 14.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.821 -11.990 12.151 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.060 -10.913 14.351 1.00 0.00 H new ATOM 163 N LEU A 14 -3.626 -10.341 6.447 1.00 0.00 N ATOM 164 CA LEU A 14 -3.593 -10.931 5.113 1.00 0.00 C ATOM 165 C LEU A 14 -2.762 -12.210 5.104 1.00 0.00 C ATOM 166 O LEU A 14 -1.711 -12.284 5.741 1.00 0.00 O ATOM 167 CB LEU A 14 -3.022 -9.932 4.106 1.00 0.00 C ATOM 168 CG LEU A 14 -3.854 -8.672 3.864 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.007 -7.588 3.217 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.066 -8.992 3.000 1.00 0.00 C ATOM 0 H LEU A 14 -2.715 -10.274 6.901 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.615 -11.181 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.032 -9.629 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.889 -10.444 3.153 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.206 -8.302 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.617 -6.699 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.172 -7.339 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.624 -7.947 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.647 -8.084 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.734 -9.387 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.686 -9.734 3.503 1.00 0.00 H new ATOM 182 N TRP A 15 -3.240 -13.214 4.378 1.00 0.00 N ATOM 183 CA TRP A 15 -2.539 -14.490 4.284 1.00 0.00 C ATOM 184 C TRP A 15 -1.413 -14.420 3.259 1.00 0.00 C ATOM 185 O TRP A 15 -1.651 -14.161 2.079 1.00 0.00 O ATOM 186 CB TRP A 15 -3.517 -15.606 3.910 1.00 0.00 C ATOM 187 CG TRP A 15 -4.441 -15.985 5.027 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.764 -15.664 5.142 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.112 -16.755 6.188 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.276 -16.188 6.304 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.283 -16.863 6.963 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.942 -17.367 6.647 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.315 -17.555 8.171 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.976 -18.053 7.846 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.156 -18.144 8.596 1.00 0.00 C ATOM 0 H TRP A 15 -4.109 -13.170 3.846 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.103 -14.709 5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.108 -15.288 3.051 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.952 -16.486 3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.325 -15.083 4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.240 -16.090 6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.028 -17.305 6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.223 -17.624 8.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.077 -18.527 8.211 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.150 -18.690 9.528 1.00 0.00 H new ATOM 206 N ARG A 16 -0.187 -14.651 3.716 1.00 0.00 N ATOM 207 CA ARG A 16 0.976 -14.612 2.838 1.00 0.00 C ATOM 208 C ARG A 16 1.544 -16.013 2.626 1.00 0.00 C ATOM 209 O ARG A 16 1.787 -16.745 3.585 1.00 0.00 O ATOM 210 CB ARG A 16 2.053 -13.697 3.423 1.00 0.00 C ATOM 211 CG ARG A 16 3.405 -13.836 2.743 1.00 0.00 C ATOM 212 CD ARG A 16 4.291 -12.629 3.013 1.00 0.00 C ATOM 213 NE ARG A 16 4.880 -12.670 4.348 1.00 0.00 N ATOM 214 CZ ARG A 16 5.805 -13.550 4.717 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.244 -14.456 3.854 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.293 -13.523 5.950 1.00 0.00 N ATOM 0 H ARG A 16 0.027 -14.867 4.690 1.00 0.00 H new ATOM 0 HA ARG A 16 0.658 -14.217 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.721 -12.662 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.166 -13.915 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.901 -14.739 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.263 -13.951 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.085 -12.588 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.704 -11.717 2.904 1.00 0.00 H new ATOM 0 HE ARG A 16 4.564 -11.986 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.872 -14.479 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.954 -15.130 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.958 -12.826 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.003 -14.199 6.232 1.00 0.00 H new ATOM 230 N GLN A 17 1.753 -16.376 1.365 1.00 0.00 N ATOM 231 CA GLN A 17 2.291 -17.689 1.028 1.00 0.00 C ATOM 232 C GLN A 17 3.810 -17.704 1.156 1.00 0.00 C ATOM 233 O GLN A 17 4.495 -16.818 0.645 1.00 0.00 O ATOM 234 CB GLN A 17 1.883 -18.081 -0.393 1.00 0.00 C ATOM 235 CG GLN A 17 1.756 -19.582 -0.598 1.00 0.00 C ATOM 236 CD GLN A 17 1.050 -19.937 -1.891 1.00 0.00 C ATOM 237 OE1 GLN A 17 0.000 -20.744 -1.791 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 1.444 -19.491 -2.969 1.00 0.00 N flip ATOM 0 H GLN A 17 1.558 -15.780 0.560 1.00 0.00 H new ATOM 0 HA GLN A 17 1.879 -18.414 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.930 -17.608 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.619 -17.688 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.750 -20.030 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.210 -20.014 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.255 -18.874 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.959 -19.739 -3.831 1.00 0.00 H new ATOM 331 N ARG A 23 3.228 -22.391 2.349 1.00 0.00 N ATOM 332 CA ARG A 23 2.075 -22.374 3.241 1.00 0.00 C ATOM 333 C ARG A 23 1.644 -20.942 3.544 1.00 0.00 C ATOM 334 O ARG A 23 2.479 -20.055 3.714 1.00 0.00 O ATOM 335 CB ARG A 23 2.399 -23.107 4.544 1.00 0.00 C ATOM 336 CG ARG A 23 1.209 -23.241 5.480 1.00 0.00 C ATOM 337 CD ARG A 23 1.652 -23.389 6.927 1.00 0.00 C ATOM 338 NE ARG A 23 0.526 -23.646 7.820 1.00 0.00 N ATOM 339 CZ ARG A 23 0.649 -23.790 9.135 1.00 0.00 C ATOM 340 NH1 ARG A 23 1.843 -23.702 9.706 1.00 0.00 N ATOM 341 NH2 ARG A 23 -0.423 -24.021 9.882 1.00 0.00 N ATOM 0 HA ARG A 23 1.253 -22.885 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.778 -24.101 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.199 -22.576 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.568 -22.365 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.613 -24.106 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.370 -24.205 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.166 -22.481 7.243 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.406 -23.719 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.669 -23.523 9.135 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.935 -23.813 10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.343 -24.088 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.327 -24.131 10.891 1.00 0.00 H new ATOM 355 N TRP A 24 0.335 -20.725 3.609 1.00 0.00 N ATOM 356 CA TRP A 24 -0.207 -19.401 3.891 1.00 0.00 C ATOM 357 C TRP A 24 -0.155 -19.098 5.384 1.00 0.00 C ATOM 358 O TRP A 24 -0.603 -19.898 6.206 1.00 0.00 O ATOM 359 CB TRP A 24 -1.648 -19.299 3.387 1.00 0.00 C ATOM 360 CG TRP A 24 -1.771 -19.464 1.902 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.939 -20.634 1.219 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.734 -18.424 0.919 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.009 -20.385 -0.131 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.886 -19.037 -0.341 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.589 -17.036 0.979 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.896 -18.307 -1.527 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.599 -16.313 -0.199 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.752 -16.949 -1.438 1.00 0.00 C ATOM 0 H TRP A 24 -0.370 -21.449 3.470 1.00 0.00 H new ATOM 0 HA TRP A 24 0.406 -18.666 3.369 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.253 -20.059 3.881 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.058 -18.330 3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.007 -21.612 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.132 -21.089 -0.858 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.471 -16.536 1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.013 -18.795 -2.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.487 -15.239 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.756 -16.356 -2.341 1.00 0.00 H new ATOM 379 N LYS A 25 0.393 -17.938 5.729 1.00 0.00 N ATOM 380 CA LYS A 25 0.503 -17.528 7.124 1.00 0.00 C ATOM 381 C LYS A 25 -0.065 -16.127 7.326 1.00 0.00 C ATOM 382 O LYS A 25 0.020 -15.279 6.438 1.00 0.00 O ATOM 383 CB LYS A 25 1.964 -17.567 7.576 1.00 0.00 C ATOM 384 CG LYS A 25 2.853 -16.574 6.847 1.00 0.00 C ATOM 385 CD LYS A 25 3.450 -17.178 5.587 1.00 0.00 C ATOM 386 CE LYS A 25 4.779 -17.860 5.872 1.00 0.00 C ATOM 387 NZ LYS A 25 4.600 -19.287 6.258 1.00 0.00 N ATOM 0 H LYS A 25 0.768 -17.265 5.061 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.076 -18.227 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.010 -17.365 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.356 -18.573 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.273 -15.688 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.654 -16.247 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.753 -17.900 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.593 -16.397 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.415 -17.800 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.295 -17.330 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.472 -19.814 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.390 -19.348 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.812 -19.697 5.717 1.00 0.00 H new ATOM 401 N ARG A 26 -0.644 -15.891 8.499 1.00 0.00 N ATOM 402 CA ARG A 26 -1.225 -14.592 8.816 1.00 0.00 C ATOM 403 C ARG A 26 -0.139 -13.530 8.957 1.00 0.00 C ATOM 404 O ARG A 26 0.919 -13.782 9.532 1.00 0.00 O ATOM 405 CB ARG A 26 -2.041 -14.677 10.108 1.00 0.00 C ATOM 406 CG ARG A 26 -3.463 -15.172 9.898 1.00 0.00 C ATOM 407 CD ARG A 26 -4.030 -15.790 11.167 1.00 0.00 C ATOM 408 NE ARG A 26 -3.393 -17.065 11.487 1.00 0.00 N ATOM 409 CZ ARG A 26 -3.646 -17.755 12.593 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.518 -17.297 13.480 1.00 0.00 N ATOM 411 NH2 ARG A 26 -3.025 -18.907 12.814 1.00 0.00 N ATOM 0 H ARG A 26 -0.723 -16.582 9.245 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.883 -14.306 7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.533 -15.343 10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.073 -13.692 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.095 -14.342 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.478 -15.909 9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.895 -15.098 11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.103 -15.940 11.049 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.717 -17.446 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.997 -16.412 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.710 -17.830 14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.353 -19.263 12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.220 -19.437 13.664 1.00 0.00 H new ATOM 425 N ASN A 27 -0.409 -12.341 8.427 1.00 0.00 N ATOM 426 CA ASN A 27 0.546 -11.241 8.493 1.00 0.00 C ATOM 427 C ASN A 27 -0.175 -9.896 8.516 1.00 0.00 C ATOM 428 O ASN A 27 -1.021 -9.620 7.666 1.00 0.00 O ATOM 429 CB ASN A 27 1.504 -11.298 7.301 1.00 0.00 C ATOM 430 CG ASN A 27 2.708 -12.180 7.570 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.885 -13.219 6.933 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.543 -11.769 8.518 1.00 0.00 N ATOM 0 H ASN A 27 -1.281 -12.115 7.948 1.00 0.00 H new ATOM 0 HA ASN A 27 1.118 -11.343 9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.971 -11.672 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.842 -10.290 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.370 -12.321 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.357 -10.901 9.020 1.00 0.00 H new ATOM 439 N TRP A 28 0.168 -9.065 9.493 1.00 0.00 N ATOM 440 CA TRP A 28 -0.446 -7.748 9.627 1.00 0.00 C ATOM 441 C TRP A 28 0.281 -6.719 8.769 1.00 0.00 C ATOM 442 O TRP A 28 1.326 -6.198 9.160 1.00 0.00 O ATOM 443 CB TRP A 28 -0.440 -7.306 11.091 1.00 0.00 C ATOM 444 CG TRP A 28 -0.869 -5.883 11.283 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.086 -4.770 11.177 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.183 -5.422 11.618 1.00 0.00 C ATOM 447 NE1 TRP A 28 -0.834 -3.644 11.425 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.123 -4.017 11.697 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.404 -6.059 11.856 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.237 -3.241 12.006 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.509 -5.287 12.162 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.420 -3.891 12.234 1.00 0.00 C ATOM 0 H TRP A 28 0.867 -9.279 10.204 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.477 -7.818 9.281 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.101 -7.958 11.663 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.563 -7.434 11.498 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.966 -4.774 10.934 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.485 -2.686 11.409 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.483 -7.135 11.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.170 -2.165 12.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.457 -5.769 12.349 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.302 -3.316 12.474 1.00 0.00 H new ATOM 463 N PHE A 29 -0.277 -6.430 7.598 1.00 0.00 N ATOM 464 CA PHE A 29 0.320 -5.463 6.684 1.00 0.00 C ATOM 465 C PHE A 29 -0.217 -4.060 6.951 1.00 0.00 C ATOM 466 O PHE A 29 -1.399 -3.881 7.240 1.00 0.00 O ATOM 467 CB PHE A 29 0.042 -5.861 5.233 1.00 0.00 C ATOM 468 CG PHE A 29 0.898 -6.996 4.748 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.602 -8.303 5.100 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.998 -6.756 3.941 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.387 -9.350 4.655 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.786 -7.798 3.493 1.00 0.00 C ATOM 473 CZ PHE A 29 2.481 -9.097 3.851 1.00 0.00 C ATOM 0 H PHE A 29 -1.142 -6.852 7.260 1.00 0.00 H new ATOM 0 HA PHE A 29 1.397 -5.459 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.007 -6.141 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.202 -4.995 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.252 -8.506 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.242 -5.742 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.145 -10.364 4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.640 -7.597 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.097 -9.913 3.503 1.00 0.00 H new ATOM 483 N ALA A 30 0.662 -3.068 6.852 1.00 0.00 N ATOM 484 CA ALA A 30 0.277 -1.680 7.081 1.00 0.00 C ATOM 485 C ALA A 30 1.030 -0.740 6.146 1.00 0.00 C ATOM 486 O ALA A 30 2.245 -0.855 5.980 1.00 0.00 O ATOM 487 CB ALA A 30 0.526 -1.296 8.532 1.00 0.00 C ATOM 0 H ALA A 30 1.645 -3.199 6.615 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.788 -1.584 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.234 -0.258 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.062 -1.941 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.585 -1.414 8.763 1.00 0.00 H new ATOM 493 N LEU A 31 0.301 0.188 5.536 1.00 0.00 N ATOM 494 CA LEU A 31 0.900 1.148 4.615 1.00 0.00 C ATOM 495 C LEU A 31 1.129 2.491 5.302 1.00 0.00 C ATOM 496 O LEU A 31 0.272 2.974 6.043 1.00 0.00 O ATOM 497 CB LEU A 31 0.005 1.336 3.389 1.00 0.00 C ATOM 498 CG LEU A 31 0.462 2.389 2.379 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.711 1.922 1.649 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.652 2.699 1.391 1.00 0.00 C ATOM 0 H LEU A 31 -0.705 0.296 5.662 1.00 0.00 H new ATOM 0 HA LEU A 31 1.865 0.754 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.077 0.379 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.995 1.600 3.732 1.00 0.00 H new ATOM 0 HG LEU A 31 0.704 3.303 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.021 2.684 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.511 1.752 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.497 0.994 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.309 3.450 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.926 1.790 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.520 3.079 1.929 1.00 0.00 H new ATOM 512 N TRP A 32 2.288 3.089 5.050 1.00 0.00 N ATOM 513 CA TRP A 32 2.628 4.377 5.643 1.00 0.00 C ATOM 514 C TRP A 32 2.536 5.493 4.608 1.00 0.00 C ATOM 515 O TRP A 32 2.736 5.265 3.414 1.00 0.00 O ATOM 516 CB TRP A 32 4.036 4.332 6.239 1.00 0.00 C ATOM 517 CG TRP A 32 4.234 3.208 7.210 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.983 2.082 7.019 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.672 3.100 8.522 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.921 1.281 8.134 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.124 1.884 9.071 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.832 3.913 9.288 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.762 1.464 10.348 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.475 3.495 10.556 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.940 2.280 11.076 1.00 0.00 C ATOM 0 H TRP A 32 3.008 2.703 4.439 1.00 0.00 H new ATOM 0 HA TRP A 32 1.912 4.584 6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.762 4.237 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.240 5.277 6.742 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.542 1.855 6.123 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.392 0.383 8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.468 4.851 8.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.118 0.527 10.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.826 4.116 11.156 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.644 1.982 12.071 1.00 0.00 H new ATOM 536 N LEU A 33 2.234 6.701 5.072 1.00 0.00 N ATOM 537 CA LEU A 33 2.116 7.853 4.186 1.00 0.00 C ATOM 538 C LEU A 33 3.436 8.129 3.473 1.00 0.00 C ATOM 539 O LEU A 33 3.467 8.795 2.438 1.00 0.00 O ATOM 540 CB LEU A 33 1.684 9.089 4.978 1.00 0.00 C ATOM 541 CG LEU A 33 0.339 8.987 5.699 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.332 10.349 5.773 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.566 7.982 5.001 1.00 0.00 C ATOM 0 H LEU A 33 2.067 6.908 6.057 1.00 0.00 H new ATOM 0 HA LEU A 33 1.359 7.626 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.454 9.310 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.644 9.938 4.295 1.00 0.00 H new ATOM 0 HG LEU A 33 0.520 8.638 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.287 10.256 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.309 11.041 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.500 10.727 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.518 7.923 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.739 8.301 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.090 7.002 5.001 1.00 0.00 H new ATOM 555 N ASP A 34 4.524 7.611 4.032 1.00 0.00 N ATOM 556 CA ASP A 34 5.847 7.798 3.448 1.00 0.00 C ATOM 557 C ASP A 34 5.983 7.013 2.146 1.00 0.00 C ATOM 558 O ASP A 34 6.936 7.202 1.392 1.00 0.00 O ATOM 559 CB ASP A 34 6.930 7.363 4.436 1.00 0.00 C ATOM 560 CG ASP A 34 7.182 8.399 5.513 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.198 8.955 6.043 1.00 0.00 O ATOM 562 OD2 ASP A 34 8.364 8.656 5.825 1.00 0.00 O ATOM 0 H ASP A 34 4.516 7.058 4.889 1.00 0.00 H new ATOM 0 HA ASP A 34 5.973 8.858 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.636 6.423 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.857 7.174 3.894 1.00 0.00 H new ATOM 567 N GLY A 35 5.022 6.130 1.891 1.00 0.00 N ATOM 568 CA GLY A 35 5.053 5.329 0.681 1.00 0.00 C ATOM 569 C GLY A 35 5.808 4.028 0.867 1.00 0.00 C ATOM 570 O GLY A 35 6.585 3.622 0.002 1.00 0.00 O ATOM 0 H GLY A 35 4.223 5.955 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.032 5.112 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.518 5.904 -0.120 1.00 0.00 H new ATOM 574 N THR A 36 5.580 3.370 2.000 1.00 0.00 N ATOM 575 CA THR A 36 6.246 2.109 2.299 1.00 0.00 C ATOM 576 C THR A 36 5.252 1.069 2.803 1.00 0.00 C ATOM 577 O THR A 36 4.227 1.410 3.395 1.00 0.00 O ATOM 578 CB THR A 36 7.356 2.294 3.350 1.00 0.00 C ATOM 579 OG1 THR A 36 6.880 3.111 4.426 1.00 0.00 O ATOM 580 CG2 THR A 36 8.588 2.934 2.729 1.00 0.00 C ATOM 0 H THR A 36 4.939 3.690 2.726 1.00 0.00 H new ATOM 0 HA THR A 36 6.693 1.760 1.368 1.00 0.00 H new ATOM 0 HB THR A 36 7.630 1.311 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.205 4.028 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.358 3.055 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.965 2.297 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.325 3.910 2.322 1.00 0.00 H new ATOM 588 N LEU A 37 5.561 -0.201 2.567 1.00 0.00 N ATOM 589 CA LEU A 37 4.694 -1.293 2.999 1.00 0.00 C ATOM 590 C LEU A 37 5.450 -2.265 3.899 1.00 0.00 C ATOM 591 O LEU A 37 6.294 -3.030 3.433 1.00 0.00 O ATOM 592 CB LEU A 37 4.132 -2.035 1.785 1.00 0.00 C ATOM 593 CG LEU A 37 2.822 -2.790 2.008 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.674 -1.816 2.220 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.531 -3.712 0.832 1.00 0.00 C ATOM 0 H LEU A 37 6.405 -0.501 2.079 1.00 0.00 H new ATOM 0 HA LEU A 37 3.869 -0.866 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.980 -1.314 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.883 -2.745 1.439 1.00 0.00 H new ATOM 0 HG LEU A 37 2.925 -3.400 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.750 -2.372 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.878 -1.197 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.570 -1.180 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.595 -4.242 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.448 -3.122 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.341 -4.433 0.726 1.00 0.00 H new ATOM 607 N GLY A 38 5.140 -2.231 5.191 1.00 0.00 N ATOM 608 CA GLY A 38 5.797 -3.115 6.136 1.00 0.00 C ATOM 609 C GLY A 38 4.814 -3.964 6.916 1.00 0.00 C ATOM 610 O GLY A 38 3.782 -3.471 7.371 1.00 0.00 O ATOM 0 H GLY A 38 4.445 -1.607 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.488 -3.765 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.391 -2.522 6.831 1.00 0.00 H new ATOM 614 N TYR A 39 5.133 -5.244 7.070 1.00 0.00 N ATOM 615 CA TYR A 39 4.267 -6.165 7.798 1.00 0.00 C ATOM 616 C TYR A 39 4.978 -6.725 9.026 1.00 0.00 C ATOM 617 O TYR A 39 6.114 -7.191 8.942 1.00 0.00 O ATOM 618 CB TYR A 39 3.824 -7.310 6.885 1.00 0.00 C ATOM 619 CG TYR A 39 4.944 -7.886 6.049 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.720 -8.937 6.521 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.226 -7.380 4.786 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.745 -9.466 5.760 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.248 -7.903 4.018 1.00 0.00 C ATOM 624 CZ TYR A 39 7.005 -8.946 4.510 1.00 0.00 C ATOM 625 OH TYR A 39 8.024 -9.471 3.748 1.00 0.00 O ATOM 0 H TYR A 39 5.984 -5.668 6.701 1.00 0.00 H new ATOM 0 HA TYR A 39 3.388 -5.612 8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.392 -8.103 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.035 -6.952 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.519 -9.348 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.636 -6.563 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.339 -10.283 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.453 -7.498 3.038 1.00 0.00 H new ATOM 0 HH TYR A 39 8.074 -8.992 2.894 1.00 0.00 H new ATOM 635 N TYR A 40 4.299 -6.676 10.167 1.00 0.00 N ATOM 636 CA TYR A 40 4.865 -7.176 11.415 1.00 0.00 C ATOM 637 C TYR A 40 4.105 -8.406 11.903 1.00 0.00 C ATOM 638 O TYR A 40 3.080 -8.783 11.335 1.00 0.00 O ATOM 639 CB TYR A 40 4.834 -6.085 12.487 1.00 0.00 C ATOM 640 CG TYR A 40 5.480 -4.790 12.051 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.928 -4.024 11.031 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.642 -4.331 12.658 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.515 -2.840 10.629 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.235 -3.148 12.264 1.00 0.00 C ATOM 645 CZ TYR A 40 6.668 -2.406 11.248 1.00 0.00 C ATOM 646 OH TYR A 40 7.257 -1.227 10.851 1.00 0.00 O ATOM 0 H TYR A 40 3.357 -6.295 10.254 1.00 0.00 H new ATOM 0 HA TYR A 40 5.900 -7.461 11.227 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.798 -5.889 12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.340 -6.451 13.381 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.024 -4.360 10.544 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.090 -4.910 13.452 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.073 -2.257 9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.137 -2.805 12.748 1.00 0.00 H new ATOM 0 HH TYR A 40 8.060 -1.065 11.389 1.00 0.00 H new ATOM 656 N HIS A 41 4.616 -9.028 12.961 1.00 0.00 N ATOM 657 CA HIS A 41 3.986 -10.215 13.528 1.00 0.00 C ATOM 658 C HIS A 41 2.568 -9.905 13.998 1.00 0.00 C ATOM 659 O HIS A 41 1.621 -10.610 13.650 1.00 0.00 O ATOM 660 CB HIS A 41 4.817 -10.751 14.694 1.00 0.00 C ATOM 661 CG HIS A 41 4.788 -9.871 15.905 1.00 0.00 C ATOM 662 ND1 HIS A 41 4.131 -10.213 17.068 1.00 0.00 N ATOM 663 CD2 HIS A 41 5.342 -8.657 16.130 1.00 0.00 C ATOM 664 CE1 HIS A 41 4.280 -9.246 17.956 1.00 0.00 C ATOM 665 NE2 HIS A 41 5.011 -8.290 17.412 1.00 0.00 N ATOM 0 H HIS A 41 5.464 -8.730 13.443 1.00 0.00 H new ATOM 0 HA HIS A 41 3.933 -10.976 12.749 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.450 -11.741 14.966 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.850 -10.872 14.368 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.611 -11.077 17.219 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.934 -8.084 15.432 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.873 -9.239 18.956 1.00 0.00 H new ATOM 674 N ASP A 42 2.431 -8.849 14.791 1.00 0.00 N ATOM 675 CA ASP A 42 1.128 -8.446 15.310 1.00 0.00 C ATOM 676 C ASP A 42 1.056 -6.931 15.478 1.00 0.00 C ATOM 677 O ASP A 42 2.000 -6.215 15.147 1.00 0.00 O ATOM 678 CB ASP A 42 0.853 -9.134 16.647 1.00 0.00 C ATOM 679 CG ASP A 42 -0.628 -9.217 16.961 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.307 -10.094 16.388 1.00 0.00 O ATOM 681 OD2 ASP A 42 -1.108 -8.405 17.780 1.00 0.00 O ATOM 0 H ASP A 42 3.205 -8.256 15.089 1.00 0.00 H new ATOM 0 HA ASP A 42 0.367 -8.751 14.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.275 -10.139 16.629 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.361 -8.590 17.444 1.00 0.00 H new ATOM 686 N GLU A 43 -0.072 -6.452 15.994 1.00 0.00 N ATOM 687 CA GLU A 43 -0.268 -5.022 16.204 1.00 0.00 C ATOM 688 C GLU A 43 1.026 -4.358 16.668 1.00 0.00 C ATOM 689 O GLU A 43 1.350 -3.245 16.252 1.00 0.00 O ATOM 690 CB GLU A 43 -1.375 -4.782 17.233 1.00 0.00 C ATOM 691 CG GLU A 43 -1.033 -5.289 18.624 1.00 0.00 C ATOM 692 CD GLU A 43 -2.180 -5.127 19.602 1.00 0.00 C ATOM 693 OE1 GLU A 43 -2.788 -4.036 19.628 1.00 0.00 O ATOM 694 OE2 GLU A 43 -2.471 -6.091 20.341 1.00 0.00 O ATOM 0 H GLU A 43 -0.863 -7.032 16.274 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.563 -4.578 15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.585 -3.714 17.286 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.288 -5.270 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.757 -6.342 18.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.162 -4.751 18.999 1.00 0.00 H new ATOM 701 N THR A 44 1.761 -5.049 17.533 1.00 0.00 N ATOM 702 CA THR A 44 3.018 -4.527 18.055 1.00 0.00 C ATOM 703 C THR A 44 4.114 -4.570 16.996 1.00 0.00 C ATOM 704 O THR A 44 4.609 -5.640 16.646 1.00 0.00 O ATOM 705 CB THR A 44 3.484 -5.319 19.292 1.00 0.00 C ATOM 706 OG1 THR A 44 3.518 -6.719 18.994 1.00 0.00 O ATOM 707 CG2 THR A 44 2.559 -5.069 20.474 1.00 0.00 C ATOM 0 H THR A 44 1.508 -5.971 17.887 1.00 0.00 H new ATOM 0 HA THR A 44 2.835 -3.492 18.342 1.00 0.00 H new ATOM 0 HB THR A 44 4.486 -4.981 19.556 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.130 -6.879 18.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.908 -5.638 21.336 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.558 -4.006 20.717 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.547 -5.383 20.217 1.00 0.00 H new ATOM 715 N ALA A 45 4.488 -3.399 16.491 1.00 0.00 N ATOM 716 CA ALA A 45 5.527 -3.303 15.474 1.00 0.00 C ATOM 717 C ALA A 45 6.913 -3.257 16.108 1.00 0.00 C ATOM 718 O ALA A 45 7.713 -2.371 15.809 1.00 0.00 O ATOM 719 CB ALA A 45 5.302 -2.076 14.603 1.00 0.00 C ATOM 0 H ALA A 45 4.087 -2.504 16.770 1.00 0.00 H new ATOM 0 HA ALA A 45 5.472 -4.194 14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.086 -2.017 13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.331 -2.151 14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.328 -1.180 15.223 1.00 0.00 H new ATOM 725 N GLN A 46 7.190 -4.217 16.985 1.00 0.00 N ATOM 726 CA GLN A 46 8.480 -4.284 17.662 1.00 0.00 C ATOM 727 C GLN A 46 9.379 -5.334 17.018 1.00 0.00 C ATOM 728 O GLN A 46 10.550 -5.466 17.375 1.00 0.00 O ATOM 729 CB GLN A 46 8.285 -4.602 19.145 1.00 0.00 C ATOM 730 CG GLN A 46 7.443 -5.843 19.396 1.00 0.00 C ATOM 731 CD GLN A 46 7.693 -6.452 20.761 1.00 0.00 C ATOM 732 OE1 GLN A 46 8.804 -6.386 21.289 1.00 0.00 O ATOM 733 NE2 GLN A 46 6.660 -7.051 21.341 1.00 0.00 N ATOM 0 H GLN A 46 6.539 -4.959 17.243 1.00 0.00 H new ATOM 0 HA GLN A 46 8.963 -3.312 17.567 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.261 -4.735 19.611 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.813 -3.749 19.632 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.388 -5.586 19.305 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.658 -6.585 18.627 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.757 -7.082 20.868 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.769 -7.480 22.260 1.00 0.00 H new ATOM 742 N ASP A 47 8.824 -6.079 16.069 1.00 0.00 N ATOM 743 CA ASP A 47 9.576 -7.117 15.374 1.00 0.00 C ATOM 744 C ASP A 47 9.429 -6.976 13.862 1.00 0.00 C ATOM 745 O ASP A 47 8.803 -7.810 13.210 1.00 0.00 O ATOM 746 CB ASP A 47 9.102 -8.503 15.817 1.00 0.00 C ATOM 747 CG ASP A 47 9.504 -8.823 17.243 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.648 -9.281 17.448 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.676 -8.616 18.155 1.00 0.00 O ATOM 0 H ASP A 47 7.856 -5.984 15.763 1.00 0.00 H new ATOM 0 HA ASP A 47 10.629 -7.001 15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.017 -8.559 15.727 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.517 -9.257 15.148 1.00 0.00 H new ATOM 754 N GLU A 48 10.009 -5.913 13.313 1.00 0.00 N ATOM 755 CA GLU A 48 9.941 -5.662 11.879 1.00 0.00 C ATOM 756 C GLU A 48 10.405 -6.883 11.090 1.00 0.00 C ATOM 757 O GLU A 48 11.569 -7.276 11.163 1.00 0.00 O ATOM 758 CB GLU A 48 10.795 -4.448 11.509 1.00 0.00 C ATOM 759 CG GLU A 48 10.873 -4.190 10.014 1.00 0.00 C ATOM 760 CD GLU A 48 12.131 -3.443 9.616 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.160 -2.204 9.770 1.00 0.00 O ATOM 762 OE2 GLU A 48 13.087 -4.098 9.149 1.00 0.00 O ATOM 0 H GLU A 48 10.531 -5.213 13.840 1.00 0.00 H new ATOM 0 HA GLU A 48 8.902 -5.458 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.387 -3.565 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.803 -4.592 11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.836 -5.141 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.000 -3.616 9.702 1.00 0.00 H new ATOM 769 N GLU A 49 9.485 -7.478 10.336 1.00 0.00 N ATOM 770 CA GLU A 49 9.800 -8.655 9.535 1.00 0.00 C ATOM 771 C GLU A 49 10.437 -8.255 8.207 1.00 0.00 C ATOM 772 O GLU A 49 11.420 -8.856 7.772 1.00 0.00 O ATOM 773 CB GLU A 49 8.536 -9.478 9.279 1.00 0.00 C ATOM 774 CG GLU A 49 8.089 -10.297 10.479 1.00 0.00 C ATOM 775 CD GLU A 49 7.051 -11.341 10.119 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.442 -12.428 9.645 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.847 -11.071 10.311 1.00 0.00 O ATOM 0 H GLU A 49 8.517 -7.164 10.263 1.00 0.00 H new ATOM 0 HA GLU A 49 10.514 -9.262 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.729 -8.807 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.713 -10.148 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.955 -10.789 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.680 -9.630 11.237 1.00 0.00 H new ATOM 784 N ASP A 50 9.871 -7.237 7.569 1.00 0.00 N ATOM 785 CA ASP A 50 10.383 -6.756 6.291 1.00 0.00 C ATOM 786 C ASP A 50 9.734 -5.428 5.912 1.00 0.00 C ATOM 787 O ASP A 50 8.826 -4.952 6.594 1.00 0.00 O ATOM 788 CB ASP A 50 10.133 -7.792 5.194 1.00 0.00 C ATOM 789 CG ASP A 50 11.208 -8.859 5.151 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.393 -8.518 5.354 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.866 -10.037 4.915 1.00 0.00 O ATOM 0 H ASP A 50 9.057 -6.729 7.916 1.00 0.00 H new ATOM 0 HA ASP A 50 11.457 -6.600 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.164 -8.263 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.085 -7.290 4.228 1.00 0.00 H new ATOM 796 N ARG A 51 10.206 -4.835 4.820 1.00 0.00 N ATOM 797 CA ARG A 51 9.674 -3.562 4.351 1.00 0.00 C ATOM 798 C ARG A 51 9.921 -3.387 2.856 1.00 0.00 C ATOM 799 O ARG A 51 11.051 -3.513 2.383 1.00 0.00 O ATOM 800 CB ARG A 51 10.309 -2.404 5.123 1.00 0.00 C ATOM 801 CG ARG A 51 9.446 -1.154 5.165 1.00 0.00 C ATOM 802 CD ARG A 51 9.892 -0.206 6.268 1.00 0.00 C ATOM 803 NE ARG A 51 9.429 1.160 6.036 1.00 0.00 N ATOM 804 CZ ARG A 51 9.751 2.187 6.815 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.534 2.004 7.869 1.00 0.00 N ATOM 806 NH2 ARG A 51 9.290 3.400 6.538 1.00 0.00 N ATOM 0 H ARG A 51 10.956 -5.216 4.244 1.00 0.00 H new ATOM 0 HA ARG A 51 8.598 -3.560 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.514 -2.728 6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.268 -2.158 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.496 -0.644 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.405 -1.435 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.511 -0.560 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.980 -0.214 6.335 1.00 0.00 H new ATOM 0 HE ARG A 51 8.826 1.335 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.891 1.073 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.780 2.794 8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.688 3.544 5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.537 4.188 7.136 1.00 0.00 H new ATOM 820 N VAL A 52 8.856 -3.096 2.115 1.00 0.00 N ATOM 821 CA VAL A 52 8.956 -2.904 0.673 1.00 0.00 C ATOM 822 C VAL A 52 8.429 -1.533 0.264 1.00 0.00 C ATOM 823 O VAL A 52 7.387 -1.088 0.745 1.00 0.00 O ATOM 824 CB VAL A 52 8.180 -3.991 -0.094 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.832 -5.351 0.102 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.725 -4.018 0.349 1.00 0.00 C ATOM 0 H VAL A 52 7.914 -2.988 2.490 1.00 0.00 H new ATOM 0 HA VAL A 52 10.013 -2.975 0.417 1.00 0.00 H new ATOM 0 HB VAL A 52 8.208 -3.752 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.270 -6.106 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.857 -5.320 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.837 -5.602 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.191 -4.792 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.674 -4.233 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.266 -3.049 0.151 1.00 0.00 H new ATOM 836 N VAL A 53 9.155 -0.868 -0.629 1.00 0.00 N ATOM 837 CA VAL A 53 8.760 0.452 -1.105 1.00 0.00 C ATOM 838 C VAL A 53 7.455 0.385 -1.891 1.00 0.00 C ATOM 839 O VAL A 53 7.203 -0.581 -2.613 1.00 0.00 O ATOM 840 CB VAL A 53 9.851 1.078 -1.994 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.443 2.475 -2.436 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.183 1.109 -1.260 1.00 0.00 C ATOM 0 H VAL A 53 10.020 -1.222 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 53 8.618 1.077 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 53 9.968 0.461 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.226 2.901 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.514 2.420 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.297 3.106 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.942 1.554 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.084 1.702 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.479 0.093 -1.000 1.00 0.00 H new ATOM 852 N ILE A 54 6.630 1.416 -1.748 1.00 0.00 N ATOM 853 CA ILE A 54 5.353 1.475 -2.446 1.00 0.00 C ATOM 854 C ILE A 54 5.340 2.599 -3.476 1.00 0.00 C ATOM 855 O ILE A 54 4.791 2.450 -4.568 1.00 0.00 O ATOM 856 CB ILE A 54 4.183 1.679 -1.465 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.904 0.387 -0.694 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.939 2.137 -2.211 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.469 -0.761 -1.578 1.00 0.00 C ATOM 0 H ILE A 54 6.824 2.223 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 54 5.228 0.519 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 54 4.459 2.454 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.803 0.096 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.129 0.577 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.121 2.277 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.145 3.080 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.658 1.383 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.289 -1.644 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.553 -0.490 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.252 -0.978 -2.305 1.00 0.00 H new ATOM 871 N HIS A 55 5.950 3.726 -3.122 1.00 0.00 N ATOM 872 CA HIS A 55 6.011 4.876 -4.016 1.00 0.00 C ATOM 873 C HIS A 55 6.723 4.516 -5.316 1.00 0.00 C ATOM 874 O HIS A 55 7.887 4.114 -5.308 1.00 0.00 O ATOM 875 CB HIS A 55 6.728 6.042 -3.334 1.00 0.00 C ATOM 876 CG HIS A 55 6.526 7.356 -4.024 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.537 8.023 -4.683 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.420 8.125 -4.157 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.062 9.147 -5.190 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.780 9.233 -4.885 1.00 0.00 N ATOM 0 H HIS A 55 6.409 3.867 -2.222 1.00 0.00 H new ATOM 0 HA HIS A 55 4.990 5.176 -4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.375 6.123 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.795 5.825 -3.289 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.501 7.699 -4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.438 7.908 -3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.626 9.872 -5.757 1.00 0.00 H new ATOM 889 N PHE A 56 6.017 4.663 -6.433 1.00 0.00 N ATOM 890 CA PHE A 56 6.581 4.351 -7.741 1.00 0.00 C ATOM 891 C PHE A 56 7.401 3.066 -7.687 1.00 0.00 C ATOM 892 O PHE A 56 8.464 2.969 -8.299 1.00 0.00 O ATOM 893 CB PHE A 56 7.456 5.507 -8.231 1.00 0.00 C ATOM 894 CG PHE A 56 6.682 6.597 -8.914 1.00 0.00 C ATOM 895 CD1 PHE A 56 6.002 7.552 -8.175 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.632 6.667 -10.297 1.00 0.00 C ATOM 897 CE1 PHE A 56 5.289 8.556 -8.801 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.921 7.669 -10.929 1.00 0.00 C ATOM 899 CZ PHE A 56 5.247 8.615 -10.180 1.00 0.00 C ATOM 0 H PHE A 56 5.053 4.996 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 56 5.757 4.206 -8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.993 5.931 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.205 5.118 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.030 7.511 -7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.155 5.930 -10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.765 9.294 -8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.892 7.713 -12.008 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.689 9.398 -10.672 1.00 0.00 H new ATOM 909 N ASN A 57 6.898 2.081 -6.950 1.00 0.00 N ATOM 910 CA ASN A 57 7.584 0.800 -6.815 1.00 0.00 C ATOM 911 C ASN A 57 6.681 -0.349 -7.253 1.00 0.00 C ATOM 912 O ASN A 57 7.159 -1.406 -7.663 1.00 0.00 O ATOM 913 CB ASN A 57 8.032 0.588 -5.367 1.00 0.00 C ATOM 914 CG ASN A 57 9.254 -0.303 -5.265 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.289 -0.028 -5.872 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.140 -1.378 -4.493 1.00 0.00 N ATOM 0 H ASN A 57 6.019 2.145 -6.437 1.00 0.00 H new ATOM 0 HA ASN A 57 8.462 0.816 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.251 1.554 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.215 0.146 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.930 -2.014 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.263 -1.567 -4.008 1.00 0.00 H new ATOM 923 N VAL A 58 5.372 -0.134 -7.163 1.00 0.00 N ATOM 924 CA VAL A 58 4.402 -1.150 -7.552 1.00 0.00 C ATOM 925 C VAL A 58 4.257 -1.220 -9.068 1.00 0.00 C ATOM 926 O VAL A 58 3.583 -0.388 -9.676 1.00 0.00 O ATOM 927 CB VAL A 58 3.021 -0.876 -6.927 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.014 -1.924 -7.376 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.122 -0.837 -5.410 1.00 0.00 C ATOM 0 H VAL A 58 4.959 0.735 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 58 4.777 -2.104 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 58 2.673 0.098 -7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.044 -1.714 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.922 -1.898 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.353 -2.912 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.137 -0.642 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.492 -1.795 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.809 -0.045 -5.111 1.00 0.00 H new ATOM 939 N ARG A 59 4.893 -2.218 -9.673 1.00 0.00 N ATOM 940 CA ARG A 59 4.835 -2.396 -11.119 1.00 0.00 C ATOM 941 C ARG A 59 3.421 -2.756 -11.566 1.00 0.00 C ATOM 942 O ARG A 59 2.882 -2.154 -12.495 1.00 0.00 O ATOM 943 CB ARG A 59 5.813 -3.487 -11.559 1.00 0.00 C ATOM 944 CG ARG A 59 6.289 -3.335 -12.994 1.00 0.00 C ATOM 945 CD ARG A 59 7.480 -2.395 -13.090 1.00 0.00 C ATOM 946 NE ARG A 59 7.961 -2.258 -14.462 1.00 0.00 N ATOM 947 CZ ARG A 59 9.192 -1.869 -14.774 1.00 0.00 C ATOM 948 NH1 ARG A 59 10.062 -1.579 -13.817 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.555 -1.769 -16.047 1.00 0.00 N ATOM 0 H ARG A 59 5.454 -2.916 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 59 5.117 -1.453 -11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.678 -3.477 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.334 -4.460 -11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.562 -4.312 -13.393 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.474 -2.955 -13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.200 -1.415 -12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.287 -2.767 -12.459 1.00 0.00 H new ATOM 0 HE ARG A 59 7.316 -2.473 -15.223 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.787 -1.654 -12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.007 -1.281 -14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.888 -1.991 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.501 -1.470 -16.286 1.00 0.00 H new ATOM 963 N ASP A 60 2.828 -3.739 -10.900 1.00 0.00 N ATOM 964 CA ASP A 60 1.476 -4.179 -11.228 1.00 0.00 C ATOM 965 C ASP A 60 0.834 -4.894 -10.043 1.00 0.00 C ATOM 966 O ASP A 60 1.509 -5.231 -9.070 1.00 0.00 O ATOM 967 CB ASP A 60 1.500 -5.104 -12.446 1.00 0.00 C ATOM 968 CG ASP A 60 0.107 -5.468 -12.923 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.475 -6.427 -12.375 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.399 -4.794 -13.844 1.00 0.00 O ATOM 0 H ASP A 60 3.261 -4.247 -10.129 1.00 0.00 H new ATOM 0 HA ASP A 60 0.880 -3.297 -11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.043 -4.619 -13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.045 -6.014 -12.197 1.00 0.00 H new ATOM 975 N ILE A 61 -0.472 -5.120 -10.132 1.00 0.00 N ATOM 976 CA ILE A 61 -1.204 -5.794 -9.067 1.00 0.00 C ATOM 977 C ILE A 61 -2.285 -6.706 -9.636 1.00 0.00 C ATOM 978 O ILE A 61 -3.149 -6.266 -10.395 1.00 0.00 O ATOM 979 CB ILE A 61 -1.855 -4.784 -8.104 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.784 -3.917 -7.439 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.684 -5.510 -7.055 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.350 -2.853 -6.524 1.00 0.00 C ATOM 0 H ILE A 61 -1.045 -4.846 -10.930 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.479 -6.393 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.518 -4.134 -8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.113 -4.558 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.184 -3.438 -8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.137 -4.782 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.467 -6.088 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.042 -6.181 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.534 -2.277 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.998 -2.189 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.926 -3.326 -5.729 1.00 0.00 H new ATOM 994 N LYS A 62 -2.233 -7.981 -9.263 1.00 0.00 N ATOM 995 CA LYS A 62 -3.209 -8.957 -9.733 1.00 0.00 C ATOM 996 C LYS A 62 -4.147 -9.373 -8.605 1.00 0.00 C ATOM 997 O LYS A 62 -3.752 -9.421 -7.441 1.00 0.00 O ATOM 998 CB LYS A 62 -2.498 -10.187 -10.300 1.00 0.00 C ATOM 999 CG LYS A 62 -1.450 -9.855 -11.348 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.325 -10.877 -11.355 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.655 -12.064 -12.248 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.004 -13.315 -11.770 1.00 0.00 N ATOM 0 H LYS A 62 -1.524 -8.362 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.801 -8.492 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.023 -10.730 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.239 -10.855 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.917 -9.820 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.041 -8.864 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.595 -10.405 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.142 -11.225 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.735 -12.206 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.332 -11.853 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.253 -14.100 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.028 -13.189 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.332 -13.531 -10.807 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.392 -9.677 -8.959 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.387 -10.092 -7.977 1.00 0.00 C ATOM 1018 C VAL A 63 -7.297 -11.177 -8.542 1.00 0.00 C ATOM 1019 O VAL A 63 -7.637 -11.164 -9.724 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.250 -8.903 -7.515 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.198 -9.331 -6.405 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.368 -7.751 -7.059 1.00 0.00 C ATOM 0 H VAL A 63 -5.735 -9.644 -9.919 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.841 -10.489 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.848 -8.561 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.800 -8.478 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.853 -10.122 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.622 -9.700 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.994 -6.919 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.742 -8.078 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.734 -7.429 -7.885 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.688 -12.118 -7.687 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.555 -13.198 -8.119 1.00 0.00 C ATOM 1034 C GLY A 64 -7.958 -14.002 -9.257 1.00 0.00 C ATOM 1035 O GLY A 64 -6.792 -14.391 -9.205 1.00 0.00 O ATOM 0 H GLY A 64 -7.420 -12.151 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.753 -13.860 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.514 -12.786 -8.433 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.760 -14.252 -10.287 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.304 -15.017 -11.442 1.00 0.00 C ATOM 1041 C GLN A 65 -6.892 -14.603 -11.846 1.00 0.00 C ATOM 1042 O GLN A 65 -6.001 -15.443 -11.968 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.261 -14.823 -12.619 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.520 -15.670 -12.525 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.463 -15.196 -11.437 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.389 -15.649 -10.295 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -12.356 -14.278 -11.787 1.00 0.00 N ATOM 0 H GLN A 65 -9.728 -13.936 -10.345 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.289 -16.071 -11.165 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.544 -13.772 -12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.739 -15.064 -13.545 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.039 -15.651 -13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.242 -16.707 -12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.381 -13.931 -12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.017 -13.920 -11.097 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.698 -13.304 -12.051 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.394 -12.781 -12.443 1.00 0.00 C ATOM 1058 C GLU A 66 -4.269 -13.577 -11.787 1.00 0.00 C ATOM 1059 O GLU A 66 -3.223 -13.810 -12.396 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.278 -11.304 -12.061 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.432 -10.452 -12.563 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.049 -8.996 -12.740 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -6.083 -8.247 -11.742 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -5.714 -8.606 -13.879 1.00 0.00 O ATOM 0 H GLU A 66 -7.425 -12.596 -11.952 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.301 -12.878 -13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.222 -11.222 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.344 -10.907 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.785 -10.849 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.263 -10.522 -11.861 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.491 -13.991 -10.545 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.496 -14.759 -9.806 1.00 0.00 C ATOM 1073 C CYS A 67 -2.714 -15.677 -10.740 1.00 0.00 C ATOM 1074 O CYS A 67 -3.242 -16.147 -11.748 1.00 0.00 O ATOM 1075 CB CYS A 67 -4.170 -15.583 -8.708 1.00 0.00 C ATOM 1076 SG CYS A 67 -5.138 -16.982 -9.323 1.00 0.00 S ATOM 0 H CYS A 67 -5.351 -13.808 -10.028 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.799 -14.058 -9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.405 -15.956 -8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.823 -14.931 -8.128 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.670 -16.672 -10.468 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.082 -21.274 -3.464 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.772 -20.556 -2.388 1.00 0.00 C ATOM 1146 C PRO A 72 -5.883 -21.388 -1.115 1.00 0.00 C ATOM 1147 O PRO A 72 -6.073 -22.604 -1.154 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.160 -20.288 -2.974 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.356 -21.359 -3.991 1.00 0.00 C ATOM 1150 CD PRO A 72 -5.993 -21.643 -4.560 1.00 0.00 C ATOM 0 HA PRO A 72 -5.238 -19.653 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.930 -20.329 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.214 -19.298 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.784 -22.253 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.045 -21.035 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.884 -22.691 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.801 -21.054 -5.457 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.764 -20.720 0.042 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.849 -21.379 1.349 1.00 0.00 C ATOM 1160 C PRO A 73 -7.260 -21.865 1.663 1.00 0.00 C ATOM 1161 O PRO A 73 -8.227 -21.435 1.035 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.432 -20.278 2.328 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.756 -19.005 1.627 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.537 -19.270 0.163 1.00 0.00 C ATOM 0 HA PRO A 73 -5.225 -22.271 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.974 -20.360 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.370 -20.340 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.786 -18.705 1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.117 -18.194 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.231 -18.701 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.530 -18.993 -0.149 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.368 -22.762 2.637 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.662 -23.306 3.033 1.00 0.00 C ATOM 1174 C GLU A 74 -9.560 -22.213 3.605 1.00 0.00 C ATOM 1175 O GLU A 74 -9.096 -21.322 4.315 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.478 -24.422 4.064 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.781 -25.070 4.498 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.564 -26.371 5.248 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.689 -26.402 6.139 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -10.268 -27.356 4.944 1.00 0.00 O ATOM 0 H GLU A 74 -6.576 -23.127 3.166 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.141 -23.718 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.823 -25.187 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.974 -24.016 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.334 -24.377 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.398 -25.260 3.620 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.850 -22.289 3.289 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.792 -21.300 3.779 1.00 0.00 C ATOM 1189 C GLY A 75 -11.961 -20.136 2.823 1.00 0.00 C ATOM 1190 O GLY A 75 -13.061 -19.884 2.330 1.00 0.00 O ATOM 0 H GLY A 75 -11.259 -23.017 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.759 -21.774 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.452 -20.926 4.745 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.870 -19.425 2.560 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.903 -18.279 1.659 1.00 0.00 C ATOM 1196 C ARG A 76 -11.295 -18.709 0.248 1.00 0.00 C ATOM 1197 O ARG A 76 -11.478 -19.896 -0.022 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.541 -17.585 1.632 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.303 -16.664 2.818 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.819 -17.276 4.111 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.476 -16.465 5.276 1.00 0.00 N ATOM 1202 CZ ARG A 76 -9.875 -16.748 6.511 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.625 -17.816 6.741 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.522 -15.961 7.520 1.00 0.00 N ATOM 0 H ARG A 76 -9.952 -19.622 2.958 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.652 -17.579 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.757 -18.342 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.455 -17.008 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.237 -16.458 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.798 -15.709 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.902 -17.387 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.402 -18.276 4.230 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.899 -15.636 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.898 -18.424 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.930 -18.030 7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.944 -15.138 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.829 -16.179 8.468 1.00 0.00 H new ATOM 1218 N SER A 77 -11.421 -17.736 -0.648 1.00 0.00 N ATOM 1219 CA SER A 77 -11.795 -18.012 -2.030 1.00 0.00 C ATOM 1220 C SER A 77 -10.694 -17.572 -2.989 1.00 0.00 C ATOM 1221 O SER A 77 -9.712 -16.951 -2.582 1.00 0.00 O ATOM 1222 CB SER A 77 -13.105 -17.302 -2.378 1.00 0.00 C ATOM 1223 OG SER A 77 -14.198 -17.882 -1.689 1.00 0.00 O ATOM 0 H SER A 77 -11.269 -16.749 -0.442 1.00 0.00 H new ATOM 0 HA SER A 77 -11.935 -19.088 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.029 -16.245 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.278 -17.357 -3.453 1.00 0.00 H new ATOM 0 HG SER A 77 -15.023 -17.409 -1.927 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.864 -17.899 -4.266 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.885 -17.539 -5.284 1.00 0.00 C ATOM 1231 C ARG A 78 -9.873 -16.031 -5.518 1.00 0.00 C ATOM 1232 O ARG A 78 -8.811 -15.423 -5.658 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.190 -18.266 -6.595 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.561 -19.647 -6.686 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.429 -20.105 -8.130 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.586 -21.291 -8.252 1.00 0.00 N ATOM 1237 CZ ARG A 78 -8.978 -22.512 -7.904 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.195 -22.705 -7.414 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -8.153 -23.541 -8.045 1.00 0.00 N ATOM 0 H ARG A 78 -11.671 -18.413 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.900 -17.842 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.270 -18.360 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.836 -17.659 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.577 -19.632 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.168 -20.362 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.418 -20.320 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.008 -19.298 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.644 -21.176 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.832 -21.916 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.495 -23.643 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.216 -23.396 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.456 -24.478 -7.777 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.059 -15.434 -5.559 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.185 -13.998 -5.775 1.00 0.00 C ATOM 1255 C ASP A 79 -10.444 -13.218 -4.692 1.00 0.00 C ATOM 1256 O ASP A 79 -10.240 -12.011 -4.813 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.659 -13.591 -5.794 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.502 -14.509 -6.658 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.726 -15.668 -6.250 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -13.937 -14.068 -7.742 1.00 0.00 O ATOM 0 H ASP A 79 -11.947 -15.923 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.737 -13.760 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.048 -13.597 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.746 -12.569 -6.162 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.045 -13.918 -3.634 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.333 -13.275 -2.546 1.00 0.00 C ATOM 1267 C GLY A 80 -7.856 -13.102 -2.842 1.00 0.00 C ATOM 1268 O GLY A 80 -7.216 -12.183 -2.329 1.00 0.00 O ATOM 0 H GLY A 80 -10.202 -14.918 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.778 -12.299 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.452 -13.867 -1.638 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.312 -13.987 -3.669 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.900 -13.930 -4.032 1.00 0.00 C ATOM 1274 C LEU A 81 -5.520 -12.536 -4.521 1.00 0.00 C ATOM 1275 O LEU A 81 -6.263 -11.908 -5.277 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.589 -14.965 -5.113 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.171 -16.350 -4.617 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.006 -16.760 -3.414 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.297 -17.377 -5.732 1.00 0.00 C ATOM 0 H LEU A 81 -7.827 -14.754 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.312 -14.156 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.471 -15.078 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.793 -14.572 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.126 -16.305 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.695 -17.748 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.864 -16.039 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.059 -16.788 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.995 -18.356 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.332 -17.421 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.654 -17.091 -6.564 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.359 -12.059 -4.088 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.878 -10.740 -4.484 1.00 0.00 C ATOM 1293 C LEU A 82 -2.354 -10.708 -4.533 1.00 0.00 C ATOM 1294 O LEU A 82 -1.686 -10.783 -3.501 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.391 -9.675 -3.512 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.675 -8.325 -3.557 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.245 -7.455 -4.666 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.784 -7.619 -2.213 1.00 0.00 C ATOM 0 H LEU A 82 -3.733 -12.566 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.260 -10.526 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.450 -9.509 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.316 -10.070 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.620 -8.501 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.723 -6.498 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.115 -7.956 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.307 -7.286 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.269 -6.660 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.834 -7.455 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.327 -8.236 -1.440 1.00 0.00 H new ATOM 1310 N THR A 83 -1.808 -10.593 -5.740 1.00 0.00 N ATOM 1311 CA THR A 83 -0.363 -10.550 -5.924 1.00 0.00 C ATOM 1312 C THR A 83 0.100 -9.151 -6.313 1.00 0.00 C ATOM 1313 O THR A 83 -0.429 -8.547 -7.247 1.00 0.00 O ATOM 1314 CB THR A 83 0.095 -11.548 -7.004 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.475 -12.838 -6.753 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.613 -11.656 -7.033 1.00 0.00 C ATOM 0 H THR A 83 -2.345 -10.528 -6.605 1.00 0.00 H new ATOM 0 HA THR A 83 0.086 -10.826 -4.970 1.00 0.00 H new ATOM 0 HB THR A 83 -0.246 -11.183 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.180 -13.466 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.913 -12.367 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.043 -10.679 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.972 -12.000 -6.063 1.00 0.00 H new ATOM 1324 N VAL A 84 1.092 -8.639 -5.590 1.00 0.00 N ATOM 1325 CA VAL A 84 1.628 -7.310 -5.861 1.00 0.00 C ATOM 1326 C VAL A 84 3.037 -7.393 -6.436 1.00 0.00 C ATOM 1327 O VAL A 84 3.877 -8.142 -5.940 1.00 0.00 O ATOM 1328 CB VAL A 84 1.655 -6.446 -4.586 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.156 -5.045 -4.901 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.275 -6.396 -3.947 1.00 0.00 C ATOM 0 H VAL A 84 1.540 -9.124 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 84 0.967 -6.845 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 84 2.344 -6.901 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.168 -4.449 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.165 -5.103 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.495 -4.578 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.313 -5.781 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.437 -5.965 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.041 -7.405 -3.684 1.00 0.00 H new ATOM 1340 N ASN A 85 3.289 -6.616 -7.485 1.00 0.00 N ATOM 1341 CA ASN A 85 4.598 -6.601 -8.128 1.00 0.00 C ATOM 1342 C ASN A 85 5.398 -5.374 -7.703 1.00 0.00 C ATOM 1343 O ASN A 85 4.869 -4.263 -7.646 1.00 0.00 O ATOM 1344 CB ASN A 85 4.441 -6.621 -9.650 1.00 0.00 C ATOM 1345 CG ASN A 85 4.353 -8.029 -10.204 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.220 -8.465 -10.962 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.302 -8.748 -9.828 1.00 0.00 N ATOM 0 H ASN A 85 2.604 -5.989 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 85 5.141 -7.493 -7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.544 -6.068 -9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.286 -6.106 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.189 -9.703 -10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.608 -8.346 -9.198 1.00 0.00 H new ATOM 1354 N LEU A 86 6.677 -5.582 -7.408 1.00 0.00 N ATOM 1355 CA LEU A 86 7.552 -4.493 -6.989 1.00 0.00 C ATOM 1356 C LEU A 86 8.635 -4.233 -8.031 1.00 0.00 C ATOM 1357 O LEU A 86 9.013 -5.130 -8.785 1.00 0.00 O ATOM 1358 CB LEU A 86 8.195 -4.819 -5.640 1.00 0.00 C ATOM 1359 CG LEU A 86 7.238 -5.247 -4.526 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.012 -5.812 -3.345 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.372 -4.076 -4.088 1.00 0.00 C ATOM 0 H LEU A 86 7.131 -6.495 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 86 6.947 -3.592 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.924 -5.615 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.746 -3.942 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 86 6.586 -6.030 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.315 -6.111 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.588 -6.679 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.689 -5.051 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.697 -4.399 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.008 -3.272 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.789 -3.717 -4.936 1.00 0.00 H new ATOM 1373 N ARG A 87 9.131 -3.001 -8.067 1.00 0.00 N ATOM 1374 CA ARG A 87 10.171 -2.623 -9.016 1.00 0.00 C ATOM 1375 C ARG A 87 11.496 -3.295 -8.667 1.00 0.00 C ATOM 1376 O ARG A 87 12.227 -3.743 -9.549 1.00 0.00 O ATOM 1377 CB ARG A 87 10.347 -1.104 -9.035 1.00 0.00 C ATOM 1378 CG ARG A 87 9.400 -0.393 -9.987 1.00 0.00 C ATOM 1379 CD ARG A 87 9.886 1.012 -10.311 1.00 0.00 C ATOM 1380 NE ARG A 87 10.812 1.024 -11.440 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.424 0.971 -12.709 1.00 0.00 C ATOM 1382 NH1 ARG A 87 9.135 0.903 -13.010 1.00 0.00 N ATOM 1383 NH2 ARG A 87 11.328 0.986 -13.681 1.00 0.00 N ATOM 0 H ARG A 87 8.829 -2.247 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 87 9.863 -2.958 -10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.195 -0.717 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.374 -0.869 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.308 -0.969 -10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.406 -0.342 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.030 1.648 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.377 1.437 -9.435 1.00 0.00 H new ATOM 0 HE ARG A 87 11.811 1.076 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.437 0.891 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.841 0.862 -13.986 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.321 1.038 -13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.030 0.945 -14.656 1.00 0.00 H new ATOM 1397 N GLU A 88 11.798 -3.360 -7.374 1.00 0.00 N ATOM 1398 CA GLU A 88 13.035 -3.976 -6.909 1.00 0.00 C ATOM 1399 C GLU A 88 13.204 -5.372 -7.502 1.00 0.00 C ATOM 1400 O GLU A 88 14.316 -5.891 -7.588 1.00 0.00 O ATOM 1401 CB GLU A 88 13.049 -4.054 -5.380 1.00 0.00 C ATOM 1402 CG GLU A 88 11.959 -4.944 -4.806 1.00 0.00 C ATOM 1403 CD GLU A 88 12.007 -5.022 -3.293 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.965 -3.958 -2.641 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.087 -6.149 -2.760 1.00 0.00 O ATOM 0 H GLU A 88 11.203 -2.994 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 88 13.867 -3.356 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.020 -4.426 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.938 -3.049 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.985 -4.565 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.058 -5.947 -5.221 1.00 0.00 H new ATOM 1412 N GLY A 89 12.091 -5.975 -7.909 1.00 0.00 N ATOM 1413 CA GLY A 89 12.137 -7.305 -8.488 1.00 0.00 C ATOM 1414 C GLY A 89 11.739 -8.382 -7.498 1.00 0.00 C ATOM 1415 O GLY A 89 12.544 -9.249 -7.158 1.00 0.00 O ATOM 0 H GLY A 89 11.158 -5.566 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.472 -7.345 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.145 -7.505 -8.852 1.00 0.00 H new ATOM 1419 N SER A 90 10.495 -8.327 -7.034 1.00 0.00 N ATOM 1420 CA SER A 90 9.994 -9.302 -6.073 1.00 0.00 C ATOM 1421 C SER A 90 8.484 -9.167 -5.899 1.00 0.00 C ATOM 1422 O SER A 90 7.987 -8.117 -5.491 1.00 0.00 O ATOM 1423 CB SER A 90 10.692 -9.125 -4.723 1.00 0.00 C ATOM 1424 OG SER A 90 10.442 -10.229 -3.871 1.00 0.00 O ATOM 0 H SER A 90 9.815 -7.617 -7.308 1.00 0.00 H new ATOM 0 HA SER A 90 10.211 -10.299 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.766 -9.016 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.343 -8.208 -4.247 1.00 0.00 H new ATOM 0 HG SER A 90 10.900 -10.092 -3.016 1.00 0.00 H new ATOM 1430 N ARG A 91 7.761 -10.237 -6.211 1.00 0.00 N ATOM 1431 CA ARG A 91 6.308 -10.238 -6.091 1.00 0.00 C ATOM 1432 C ARG A 91 5.881 -10.543 -4.658 1.00 0.00 C ATOM 1433 O ARG A 91 6.629 -11.152 -3.892 1.00 0.00 O ATOM 1434 CB ARG A 91 5.697 -11.266 -7.045 1.00 0.00 C ATOM 1435 CG ARG A 91 6.132 -12.694 -6.762 1.00 0.00 C ATOM 1436 CD ARG A 91 5.888 -13.599 -7.960 1.00 0.00 C ATOM 1437 NE ARG A 91 6.674 -13.193 -9.122 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.660 -13.841 -10.281 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.904 -14.919 -10.433 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.403 -13.410 -11.293 1.00 0.00 N ATOM 0 H ARG A 91 8.157 -11.114 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 91 5.946 -9.245 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.610 -11.207 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.971 -11.008 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.191 -12.708 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.588 -13.077 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.137 -14.626 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.829 -13.584 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 91 7.266 -12.367 -9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.331 -15.253 -9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.896 -15.414 -11.325 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.986 -12.580 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.391 -13.909 -12.183 1.00 0.00 H new ATOM 1454 N LEU A 92 4.675 -10.114 -4.302 1.00 0.00 N ATOM 1455 CA LEU A 92 4.148 -10.340 -2.960 1.00 0.00 C ATOM 1456 C LEU A 92 2.895 -11.208 -3.006 1.00 0.00 C ATOM 1457 O LEU A 92 1.847 -10.779 -3.492 1.00 0.00 O ATOM 1458 CB LEU A 92 3.833 -9.005 -2.283 1.00 0.00 C ATOM 1459 CG LEU A 92 4.976 -8.367 -1.492 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.681 -6.901 -1.215 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.210 -9.121 -0.191 1.00 0.00 C ATOM 0 H LEU A 92 4.044 -9.608 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 92 4.909 -10.863 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.510 -8.300 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.989 -9.153 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 92 5.884 -8.426 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.505 -6.464 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.565 -6.369 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.761 -6.818 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.027 -8.653 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.303 -9.094 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.468 -10.157 -0.412 1.00 0.00 H new ATOM 1473 N HIS A 93 3.009 -12.431 -2.497 1.00 0.00 N ATOM 1474 CA HIS A 93 1.884 -13.359 -2.477 1.00 0.00 C ATOM 1475 C HIS A 93 1.001 -13.117 -1.256 1.00 0.00 C ATOM 1476 O HIS A 93 1.414 -13.358 -0.121 1.00 0.00 O ATOM 1477 CB HIS A 93 2.386 -14.803 -2.480 1.00 0.00 C ATOM 1478 CG HIS A 93 2.795 -15.292 -3.835 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.052 -15.083 -4.363 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.106 -15.985 -4.771 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.118 -15.625 -5.565 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.950 -16.180 -5.837 1.00 0.00 N ATOM 0 H HIS A 93 3.869 -12.802 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 93 1.288 -13.188 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.235 -14.885 -1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.602 -15.452 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.083 -16.322 -4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.980 -15.616 -6.215 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.714 -16.673 -6.698 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.215 -12.638 -1.497 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.156 -12.363 -0.416 1.00 0.00 C ATOM 1493 C LEU A 94 -2.552 -12.865 -0.770 1.00 0.00 C ATOM 1494 O LEU A 94 -2.803 -13.287 -1.899 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.200 -10.863 -0.122 1.00 0.00 C ATOM 1496 CG LEU A 94 0.154 -10.164 0.009 1.00 0.00 C ATOM 1497 CD1 LEU A 94 -0.024 -8.654 0.026 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.876 -10.632 1.264 1.00 0.00 C ATOM 0 H LEU A 94 -0.572 -12.432 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.815 -12.891 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.763 -10.374 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.756 -10.711 0.803 1.00 0.00 H new ATOM 0 HG LEU A 94 0.763 -10.427 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.950 -8.174 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.499 -8.333 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.651 -8.371 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.838 -10.124 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.271 -10.399 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.037 -11.709 1.211 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.457 -12.813 0.201 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.829 -13.261 -0.008 1.00 0.00 C ATOM 1512 C CYS A 95 -5.779 -12.577 0.970 1.00 0.00 C ATOM 1513 O CYS A 95 -5.548 -12.577 2.179 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.922 -14.780 0.151 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.606 -15.430 0.057 1.00 0.00 S ATOM 0 H CYS A 95 -3.265 -12.465 1.141 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.123 -12.990 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.318 -15.253 -0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.488 -15.061 1.111 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.449 -14.505 0.408 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.848 -11.993 0.438 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.833 -11.305 1.263 1.00 0.00 C ATOM 1523 C ALA A 96 -8.981 -12.237 1.638 1.00 0.00 C ATOM 1524 O ALA A 96 -9.169 -13.284 1.021 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.363 -10.077 0.539 1.00 0.00 C ATOM 0 H ALA A 96 -7.054 -11.983 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.342 -10.987 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.098 -9.573 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.539 -9.396 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.833 -10.381 -0.397 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.744 -11.848 2.655 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.873 -12.650 3.113 1.00 0.00 C ATOM 1533 C GLU A 97 -11.996 -12.647 2.080 1.00 0.00 C ATOM 1534 O GLU A 97 -12.671 -13.657 1.876 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.393 -12.121 4.451 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.815 -10.662 4.407 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.391 -10.181 5.724 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.620 -10.054 6.698 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -13.613 -9.931 5.780 1.00 0.00 O ATOM 0 H GLU A 97 -9.601 -10.983 3.177 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.528 -13.675 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.243 -12.727 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.617 -12.243 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.954 -10.047 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.556 -10.526 3.619 1.00 0.00 H new ATOM 1546 N THR A 98 -12.193 -11.504 1.431 1.00 0.00 N ATOM 1547 CA THR A 98 -13.235 -11.367 0.421 1.00 0.00 C ATOM 1548 C THR A 98 -12.758 -10.518 -0.751 1.00 0.00 C ATOM 1549 O THR A 98 -11.869 -9.679 -0.600 1.00 0.00 O ATOM 1550 CB THR A 98 -14.510 -10.736 1.012 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.214 -9.442 1.548 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.096 -11.621 2.102 1.00 0.00 C ATOM 0 H THR A 98 -11.644 -10.659 1.587 1.00 0.00 H new ATOM 0 HA THR A 98 -13.466 -12.372 0.067 1.00 0.00 H new ATOM 0 HB THR A 98 -15.244 -10.637 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.030 -9.047 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.995 -11.155 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.348 -12.595 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.365 -11.748 2.900 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.353 -10.740 -1.918 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.988 -9.994 -3.116 1.00 0.00 C ATOM 1562 C ARG A 99 -12.965 -8.494 -2.837 1.00 0.00 C ATOM 1563 O ARG A 99 -12.263 -7.738 -3.510 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.968 -10.298 -4.250 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.342 -9.678 -4.050 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.195 -10.509 -3.104 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.620 -10.377 -3.394 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.558 -11.126 -2.824 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.223 -12.055 -1.940 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.834 -10.947 -3.140 1.00 0.00 N ATOM 0 H ARG A 99 -14.090 -11.431 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.988 -10.305 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.548 -9.936 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.077 -11.378 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.233 -8.669 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.846 -9.588 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.905 -11.557 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.004 -10.199 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.911 -9.672 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.243 -12.197 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.945 -12.628 -1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.096 -10.234 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.553 -11.522 -2.702 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.736 -8.071 -1.842 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.804 -6.661 -1.473 1.00 0.00 C ATOM 1586 C ASP A 100 -12.461 -6.175 -0.936 1.00 0.00 C ATOM 1587 O ASP A 100 -11.828 -5.296 -1.522 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.897 -6.438 -0.428 1.00 0.00 C ATOM 1589 CG ASP A 100 -16.265 -6.247 -1.052 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.544 -5.132 -1.540 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -17.057 -7.213 -1.053 1.00 0.00 O ATOM 0 H ASP A 100 -14.323 -8.684 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.046 -6.087 -2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.926 -7.291 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.649 -5.562 0.172 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.034 -6.751 0.182 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.767 -6.377 0.799 1.00 0.00 C ATOM 1598 C ASP A 101 -9.643 -6.364 -0.232 1.00 0.00 C ATOM 1599 O ASP A 101 -8.764 -5.504 -0.197 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.423 -7.342 1.935 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.107 -6.972 3.236 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -11.100 -5.774 3.589 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.648 -7.880 3.901 1.00 0.00 O ATOM 0 H ASP A 101 -12.547 -7.479 0.680 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.873 -5.372 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.714 -8.353 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.343 -7.351 2.085 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.678 -7.325 -1.150 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.663 -7.424 -2.192 1.00 0.00 C ATOM 1610 C ALA A 102 -8.580 -6.135 -3.001 1.00 0.00 C ATOM 1611 O ALA A 102 -7.519 -5.517 -3.094 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.958 -8.605 -3.105 1.00 0.00 C ATOM 0 H ALA A 102 -10.398 -8.046 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.698 -7.583 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.192 -8.667 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.959 -9.525 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.934 -8.470 -3.571 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.704 -5.735 -3.586 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.757 -4.519 -4.387 1.00 0.00 C ATOM 1620 C ILE A 103 -9.279 -3.312 -3.587 1.00 0.00 C ATOM 1621 O ILE A 103 -8.578 -2.446 -4.109 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.182 -4.246 -4.904 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.620 -5.354 -5.864 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.247 -2.889 -5.588 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.115 -5.399 -6.093 1.00 0.00 C ATOM 0 H ILE A 103 -10.590 -6.236 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.094 -4.674 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.865 -4.235 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.118 -5.214 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.292 -6.316 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.260 -2.711 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.972 -2.110 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.555 -2.872 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.353 -6.208 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.623 -5.570 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.447 -4.451 -6.517 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.663 -3.263 -2.315 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.271 -2.164 -1.441 1.00 0.00 C ATOM 1639 C ALA A 104 -7.764 -1.935 -1.489 1.00 0.00 C ATOM 1640 O ALA A 104 -7.304 -0.818 -1.724 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.719 -2.440 -0.013 1.00 0.00 C ATOM 0 H ALA A 104 -10.245 -3.971 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.762 -1.258 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.420 -1.611 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.803 -2.547 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.255 -3.360 0.342 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.001 -2.999 -1.265 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.545 -2.913 -1.283 1.00 0.00 C ATOM 1649 C TRP A 105 -5.040 -2.523 -2.668 1.00 0.00 C ATOM 1650 O TRP A 105 -4.100 -1.739 -2.799 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.930 -4.247 -0.859 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.927 -4.455 0.626 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.670 -5.361 1.328 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.147 -3.740 1.590 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.398 -5.252 2.670 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.466 -4.266 2.857 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.207 -2.709 1.506 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.879 -3.793 4.028 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.626 -2.241 2.669 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.963 -2.783 3.916 1.00 0.00 C ATOM 0 H TRP A 105 -7.366 -3.931 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.242 -2.141 -0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.482 -5.060 -1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.906 -4.300 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.368 -6.060 0.892 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.822 -5.814 3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.940 -2.286 0.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.138 -4.209 4.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.900 -1.444 2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.490 -2.396 4.807 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.669 -3.075 -3.700 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.285 -2.784 -5.076 1.00 0.00 C ATOM 1673 C LYS A 106 -5.373 -1.288 -5.361 1.00 0.00 C ATOM 1674 O LYS A 106 -4.490 -0.713 -5.997 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.179 -3.553 -6.050 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.118 -3.029 -7.475 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.533 -4.092 -8.478 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.343 -4.919 -8.939 1.00 0.00 C ATOM 1679 NZ LYS A 106 -5.700 -5.828 -10.062 1.00 0.00 N ATOM 0 H LYS A 106 -6.448 -3.727 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.251 -3.102 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.888 -4.603 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.210 -3.506 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.770 -2.161 -7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.105 -2.693 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.280 -4.746 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.003 -3.617 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.538 -4.254 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.964 -5.507 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.858 -6.362 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.438 -6.491 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.054 -5.267 -10.863 1.00 0.00 H new ATOM 1693 N THR A 107 -6.445 -0.661 -4.884 1.00 0.00 N ATOM 1694 CA THR A 107 -6.648 0.767 -5.087 1.00 0.00 C ATOM 1695 C THR A 107 -5.742 1.587 -4.176 1.00 0.00 C ATOM 1696 O THR A 107 -5.139 2.570 -4.606 1.00 0.00 O ATOM 1697 CB THR A 107 -8.113 1.168 -4.830 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.975 0.495 -5.756 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.294 2.673 -4.963 1.00 0.00 C ATOM 0 H THR A 107 -7.185 -1.121 -4.354 1.00 0.00 H new ATOM 0 HA THR A 107 -6.398 0.977 -6.127 1.00 0.00 H new ATOM 0 HB THR A 107 -8.373 0.875 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.905 0.754 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.336 2.932 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.659 3.181 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.017 2.985 -5.970 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.649 1.176 -2.916 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.813 1.871 -1.945 1.00 0.00 C ATOM 1709 C ALA A 108 -3.340 1.792 -2.332 1.00 0.00 C ATOM 1710 O ALA A 108 -2.556 2.686 -2.014 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.028 1.292 -0.554 1.00 0.00 C ATOM 0 H ALA A 108 -6.143 0.365 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.103 2.922 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.398 1.820 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.074 1.407 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.767 0.234 -0.556 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.971 0.716 -3.018 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.591 0.519 -3.448 1.00 0.00 C ATOM 1719 C LEU A 109 -1.337 1.198 -4.791 1.00 0.00 C ATOM 1720 O LEU A 109 -0.362 1.931 -4.952 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.276 -0.974 -3.551 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.298 -1.756 -2.237 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.348 -3.252 -2.508 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.085 -1.406 -1.388 1.00 0.00 C ATOM 0 H LEU A 109 -3.608 -0.033 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.936 0.971 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.993 -1.430 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.290 -1.087 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.195 -1.477 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.363 -3.793 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.248 -3.489 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.469 -3.548 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.117 -1.972 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.825 -1.656 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.093 -0.339 -1.165 1.00 0.00 H new ATOM 1736 N MET A 110 -2.223 0.950 -5.750 1.00 0.00 N ATOM 1737 CA MET A 110 -2.096 1.540 -7.078 1.00 0.00 C ATOM 1738 C MET A 110 -1.994 3.059 -6.990 1.00 0.00 C ATOM 1739 O MET A 110 -1.331 3.694 -7.810 1.00 0.00 O ATOM 1740 CB MET A 110 -3.290 1.147 -7.950 1.00 0.00 C ATOM 1741 CG MET A 110 -3.159 -0.234 -8.572 1.00 0.00 C ATOM 1742 SD MET A 110 -2.287 -0.205 -10.150 1.00 0.00 S ATOM 1743 CE MET A 110 -0.796 -1.104 -9.729 1.00 0.00 C ATOM 0 H MET A 110 -3.036 0.345 -5.633 1.00 0.00 H new ATOM 0 HA MET A 110 -1.182 1.158 -7.533 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.197 1.180 -7.346 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.408 1.884 -8.744 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.630 -0.891 -7.881 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.152 -0.658 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.041 -0.709 -10.304 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.591 -0.990 -8.665 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.930 -2.160 -9.962 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.655 3.636 -5.991 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.639 5.081 -5.798 1.00 0.00 C ATOM 1755 C GLU A 111 -1.310 5.535 -5.202 1.00 0.00 C ATOM 1756 O GLU A 111 -0.565 6.292 -5.824 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.792 5.510 -4.888 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.085 5.790 -5.635 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.271 4.887 -6.839 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -5.697 3.728 -6.652 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -4.991 5.340 -7.969 1.00 0.00 O ATOM 0 H GLU A 111 -3.208 3.125 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.761 5.553 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.971 4.729 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.498 6.405 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.928 5.662 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.094 6.830 -5.961 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.021 5.068 -3.992 1.00 0.00 N ATOM 1769 CA ALA A 112 0.218 5.425 -3.312 1.00 0.00 C ATOM 1770 C ALA A 112 1.419 5.264 -4.238 1.00 0.00 C ATOM 1771 O ALA A 112 2.369 6.043 -4.178 1.00 0.00 O ATOM 1772 CB ALA A 112 0.397 4.577 -2.061 1.00 0.00 C ATOM 0 H ALA A 112 -1.628 4.442 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 112 0.154 6.474 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.326 4.854 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.441 4.745 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.434 3.523 -2.338 1.00 0.00 H new ATOM 1778 N ASN A 113 1.369 4.248 -5.093 1.00 0.00 N ATOM 1779 CA ASN A 113 2.454 3.985 -6.031 1.00 0.00 C ATOM 1780 C ASN A 113 2.596 5.127 -7.033 1.00 0.00 C ATOM 1781 O ASN A 113 3.707 5.498 -7.413 1.00 0.00 O ATOM 1782 CB ASN A 113 2.207 2.669 -6.773 1.00 0.00 C ATOM 1783 CG ASN A 113 2.836 2.656 -8.152 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.059 2.603 -8.289 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.001 2.705 -9.184 1.00 0.00 N ATOM 0 H ASN A 113 0.589 3.594 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 113 3.381 3.906 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.609 1.843 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.134 2.503 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.366 2.700 -10.136 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.995 2.748 -9.024 1.00 0.00 H new ATOM 1792 N SER A 114 1.464 5.681 -7.456 1.00 0.00 N ATOM 1793 CA SER A 114 1.462 6.779 -8.415 1.00 0.00 C ATOM 1794 C SER A 114 0.870 8.041 -7.796 1.00 0.00 C ATOM 1795 O SER A 114 0.112 8.767 -8.439 1.00 0.00 O ATOM 1796 CB SER A 114 0.669 6.390 -9.665 1.00 0.00 C ATOM 1797 OG SER A 114 -0.627 5.930 -9.323 1.00 0.00 O ATOM 0 H SER A 114 0.537 5.387 -7.149 1.00 0.00 H new ATOM 0 HA SER A 114 2.495 6.984 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.590 7.249 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 114 1.203 5.612 -10.211 1.00 0.00 H new ATOM 0 HG SER A 114 -0.555 5.082 -8.837 1.00 0.00 H new ATOM 1803 N THR A 115 1.223 8.297 -6.540 1.00 0.00 N ATOM 1804 CA THR A 115 0.727 9.470 -5.831 1.00 0.00 C ATOM 1805 C THR A 115 1.643 9.839 -4.669 1.00 0.00 C ATOM 1806 O THR A 115 1.654 9.187 -3.625 1.00 0.00 O ATOM 1807 CB THR A 115 -0.698 9.240 -5.292 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.600 9.004 -6.379 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.172 10.440 -4.486 1.00 0.00 C ATOM 0 H THR A 115 1.851 7.708 -5.993 1.00 0.00 H new ATOM 0 HA THR A 115 0.708 10.289 -6.550 1.00 0.00 H new ATOM 0 HB THR A 115 -0.679 8.368 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.148 9.198 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.180 10.254 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.500 10.601 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.176 11.326 -5.121 1.00 0.00 H new ATOM 1817 N PRO A 116 2.430 10.909 -4.853 1.00 0.00 N ATOM 1818 CA PRO A 116 3.364 11.389 -3.830 1.00 0.00 C ATOM 1819 C PRO A 116 2.647 12.000 -2.631 1.00 0.00 C ATOM 1820 O PRO A 116 1.418 12.021 -2.576 1.00 0.00 O ATOM 1821 CB PRO A 116 4.179 12.456 -4.566 1.00 0.00 C ATOM 1822 CG PRO A 116 3.284 12.927 -5.660 1.00 0.00 C ATOM 1823 CD PRO A 116 2.469 11.733 -6.073 1.00 0.00 C ATOM 0 HA PRO A 116 3.968 10.580 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.454 13.274 -3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.106 12.042 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.642 13.738 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.863 13.313 -6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.469 12.021 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.930 11.199 -6.904 1.00 0.00 H new