USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 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: B 115 GLN : amide:sc= 0.553 K(o=1.1,f=-20!) USER MOD Set 1.2: B 118 LYS NZ :NH3+ -110:sc= 0.572! (180deg=0) USER MOD Set 2.1: B 114 TYR OH : rot -42:sc= -0.299! USER MOD Set 2.2: B 123 ASN : amide:sc= -1.17 K(o=-1.5,f=-9.2!) USER MOD Set 3.1: A 11 SER OG : rot -120:sc= 1.11 USER MOD Set 3.2: B 102 LYS NZ :NH3+ 160:sc= 0.0756! (180deg=0) USER MOD Set 4.1: A 31 THR OG1 : rot -117:sc= 0.881 USER MOD Set 4.2: B 131 THR OG1 : rot 69:sc= -0.308 USER MOD Set 5.1: A 14 TYR OH : rot 100:sc= -1.88! USER MOD Set 5.2: A 15 GLN : amide:sc= 0.0778 K(o=-0.88,f=-19!) USER MOD Set 5.3: A 18 LYS NZ :NH3+ 165:sc= 1.09! (180deg=0.0444) USER MOD Set 5.4: B 103 GLN : amide:sc= -0.169 K(o=-0.88,f=-3.7) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00475 X(o=-0.0047,f=-0.18) USER MOD Single : A 6 THR OG1 : rot -117:sc= -3.2! USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.069 USER MOD Single : A 13 SER OG : rot -58:sc= -0.278! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.382 K(o=-0.38,f=-3.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 172:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot 55:sc= 1.1 USER MOD Single : A 32 MET CE :methyl -124:sc= -15.8! (180deg=-23.4!) USER MOD Single : A 33 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 34 ASN : amide:sc= -0.337 K(o=-0.34,f=-0.94) USER MOD Single : B 106 THR OG1 : rot -140:sc= -0.593 USER MOD Single : B 108 THR OG1 : rot 47:sc= 0.102 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 56:sc= 1.29 USER MOD Single : B 120 TYR OH : rot -110:sc= 1.08 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -122:sc= -0.28 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 168:sc= -15.5! (180deg=-16!) USER MOD Single : B 133 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.48) USER MOD Single : B 134 ASN : amide:sc= 1.67 K(o=1.7,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.014 -13.144 -18.635 1.00 0.00 N ATOM 21 CA LYS A 2 -12.998 -12.764 -17.219 1.00 0.00 C ATOM 22 C LYS A 2 -11.739 -13.280 -16.529 1.00 0.00 C ATOM 23 O LYS A 2 -11.566 -14.483 -16.334 1.00 0.00 O ATOM 24 CB LYS A 2 -14.240 -13.270 -16.474 1.00 0.00 C ATOM 25 CG LYS A 2 -15.387 -12.269 -16.452 1.00 0.00 C ATOM 26 CD LYS A 2 -16.272 -12.406 -17.682 1.00 0.00 C ATOM 27 CE LYS A 2 -17.695 -11.946 -17.399 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.295 -11.230 -18.564 1.00 0.00 N ATOM 0 HA LYS A 2 -13.004 -11.675 -17.186 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.583 -14.193 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.963 -13.516 -15.449 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.985 -12.420 -15.554 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.986 -11.256 -16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.854 -11.818 -18.499 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.283 -13.445 -18.010 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.311 -12.809 -17.148 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.697 -11.289 -16.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.264 -10.934 -18.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.722 -10.392 -18.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.318 -11.865 -19.388 1.00 0.00 H new ATOM 42 N GLN A 3 -10.868 -12.358 -16.149 1.00 0.00 N ATOM 43 CA GLN A 3 -9.632 -12.711 -15.467 1.00 0.00 C ATOM 44 C GLN A 3 -9.739 -12.387 -13.998 1.00 0.00 C ATOM 45 O GLN A 3 -9.764 -11.220 -13.602 1.00 0.00 O ATOM 46 CB GLN A 3 -8.426 -11.994 -16.093 1.00 0.00 C ATOM 47 CG GLN A 3 -7.185 -12.003 -15.206 1.00 0.00 C ATOM 48 CD GLN A 3 -6.366 -13.275 -15.329 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.049 -13.717 -16.428 1.00 0.00 O ATOM 50 NE2 GLN A 3 -6.014 -13.865 -14.196 1.00 0.00 N ATOM 0 H GLN A 3 -10.994 -11.357 -16.302 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.475 -13.784 -15.581 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.186 -12.467 -17.045 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.700 -10.962 -16.311 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.558 -11.149 -15.463 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.489 -11.874 -14.167 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.299 -13.464 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.458 -14.720 -14.217 1.00 0.00 H new ATOM 59 N ARG A 4 -9.810 -13.427 -13.186 1.00 0.00 N ATOM 60 CA ARG A 4 -9.934 -13.230 -11.764 1.00 0.00 C ATOM 61 C ARG A 4 -8.599 -12.886 -11.137 1.00 0.00 C ATOM 62 O ARG A 4 -7.746 -13.750 -10.921 1.00 0.00 O ATOM 63 CB ARG A 4 -10.523 -14.452 -11.082 1.00 0.00 C ATOM 64 CG ARG A 4 -11.364 -14.085 -9.878 1.00 0.00 C ATOM 65 CD ARG A 4 -12.045 -15.307 -9.289 1.00 0.00 C ATOM 66 NE ARG A 4 -13.471 -15.364 -9.626 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.969 -15.931 -10.722 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.175 -16.502 -11.608 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.274 -15.938 -10.924 1.00 0.00 N ATOM 0 H ARG A 4 -9.784 -14.401 -13.487 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.615 -12.391 -11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.134 -15.005 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.717 -15.116 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.735 -13.616 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.116 -13.351 -10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.551 -16.207 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.930 -15.298 -8.205 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.129 -14.938 -8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.166 -16.512 -11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.570 -16.933 -12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.898 -15.509 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.658 -16.372 -11.763 1.00 0.00 H new ATOM 83 N ILE A 5 -8.454 -11.615 -10.812 1.00 0.00 N ATOM 84 CA ILE A 5 -7.265 -11.109 -10.160 1.00 0.00 C ATOM 85 C ILE A 5 -7.613 -10.884 -8.709 1.00 0.00 C ATOM 86 O ILE A 5 -8.651 -10.288 -8.400 1.00 0.00 O ATOM 87 CB ILE A 5 -6.770 -9.786 -10.789 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.313 -8.593 -9.990 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.199 -9.714 -12.250 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.024 -7.243 -10.592 1.00 0.00 C ATOM 0 H ILE A 5 -9.162 -10.903 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.457 -11.832 -10.275 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.681 -9.750 -10.753 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.392 -8.705 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.891 -8.625 -8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.847 -8.779 -12.687 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.771 -10.554 -12.797 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.286 -9.757 -12.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.446 -6.464 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.946 -7.103 -10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.470 -7.184 -11.585 1.00 0.00 H new ATOM 102 N THR A 6 -6.801 -11.386 -7.811 1.00 0.00 N ATOM 103 CA THR A 6 -7.119 -11.233 -6.416 1.00 0.00 C ATOM 104 C THR A 6 -5.934 -10.721 -5.586 1.00 0.00 C ATOM 105 O THR A 6 -4.847 -11.299 -5.615 1.00 0.00 O ATOM 106 CB THR A 6 -7.720 -12.549 -5.868 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.102 -12.937 -4.664 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.642 -13.731 -6.823 1.00 0.00 C ATOM 0 H THR A 6 -5.938 -11.891 -8.014 1.00 0.00 H new ATOM 0 HA THR A 6 -7.875 -10.453 -6.323 1.00 0.00 H new ATOM 0 HB THR A 6 -8.772 -12.307 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.650 -13.797 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.087 -14.608 -6.353 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.184 -13.495 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.599 -13.937 -7.062 1.00 0.00 H new ATOM 116 N VAL A 7 -6.182 -9.647 -4.807 1.00 0.00 N ATOM 117 CA VAL A 7 -5.179 -9.052 -3.912 1.00 0.00 C ATOM 118 C VAL A 7 -5.432 -9.535 -2.482 1.00 0.00 C ATOM 119 O VAL A 7 -6.405 -9.127 -1.851 1.00 0.00 O ATOM 120 CB VAL A 7 -5.192 -7.474 -3.967 1.00 0.00 C ATOM 121 CG1 VAL A 7 -5.260 -6.808 -2.572 1.00 0.00 C ATOM 122 CG2 VAL A 7 -3.983 -6.979 -4.731 1.00 0.00 C ATOM 0 H VAL A 7 -7.084 -9.172 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.193 -9.374 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.107 -7.184 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.266 -5.724 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.170 -7.124 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.392 -7.106 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.996 -5.890 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.074 -7.315 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.007 -7.375 -5.746 1.00 0.00 H new ATOM 132 N THR A 8 -4.578 -10.415 -1.967 1.00 0.00 N ATOM 133 CA THR A 8 -4.747 -10.923 -0.608 1.00 0.00 C ATOM 134 C THR A 8 -4.425 -9.833 0.413 1.00 0.00 C ATOM 135 O THR A 8 -3.257 -9.582 0.715 1.00 0.00 O ATOM 136 CB THR A 8 -3.871 -12.149 -0.378 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.582 -11.974 -0.937 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.463 -13.411 -0.952 1.00 0.00 C ATOM 0 H THR A 8 -3.769 -10.789 -2.464 1.00 0.00 H new ATOM 0 HA THR A 8 -5.788 -11.220 -0.480 1.00 0.00 H new ATOM 0 HB THR A 8 -3.804 -12.255 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.223 -11.104 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.794 -14.249 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.430 -13.603 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.594 -13.295 -2.028 1.00 0.00 H new ATOM 146 N VAL A 9 -5.464 -9.176 0.926 1.00 0.00 N ATOM 147 CA VAL A 9 -5.282 -8.098 1.894 1.00 0.00 C ATOM 148 C VAL A 9 -5.339 -8.606 3.340 1.00 0.00 C ATOM 149 O VAL A 9 -4.598 -9.527 3.680 1.00 0.00 O ATOM 150 CB VAL A 9 -6.286 -6.950 1.656 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.849 -5.685 2.385 1.00 0.00 C ATOM 152 CG2 VAL A 9 -6.407 -6.674 0.171 1.00 0.00 C ATOM 0 H VAL A 9 -6.437 -9.371 0.688 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.281 -7.696 1.739 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.256 -7.254 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.573 -4.891 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.791 -5.883 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.870 -5.375 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.117 -5.863 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.433 -6.389 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.758 -7.571 -0.338 1.00 0.00 H new ATOM 162 N ASP A 10 -6.137 -7.955 4.214 1.00 0.00 N ATOM 163 CA ASP A 10 -6.186 -8.294 5.643 1.00 0.00 C ATOM 164 C ASP A 10 -5.053 -7.540 6.358 1.00 0.00 C ATOM 165 O ASP A 10 -4.982 -7.491 7.586 1.00 0.00 O ATOM 166 CB ASP A 10 -6.079 -9.805 5.882 1.00 0.00 C ATOM 167 CG ASP A 10 -6.229 -10.187 7.343 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.370 -10.152 7.853 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.207 -10.530 7.969 1.00 0.00 O ATOM 0 H ASP A 10 -6.756 -7.189 3.948 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.152 -7.990 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.846 -10.315 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.114 -10.157 5.517 1.00 0.00 H new ATOM 174 N SER A 11 -4.180 -6.926 5.552 1.00 0.00 N ATOM 175 CA SER A 11 -3.065 -6.148 6.053 1.00 0.00 C ATOM 176 C SER A 11 -2.982 -4.793 5.342 1.00 0.00 C ATOM 177 O SER A 11 -2.958 -3.763 6.007 1.00 0.00 O ATOM 178 CB SER A 11 -1.751 -6.918 5.886 1.00 0.00 C ATOM 179 OG SER A 11 -1.852 -8.241 6.410 1.00 0.00 O ATOM 0 H SER A 11 -4.235 -6.961 4.534 1.00 0.00 H new ATOM 0 HA SER A 11 -3.230 -5.968 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.486 -6.963 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.948 -6.384 6.394 1.00 0.00 H new ATOM 0 HG SER A 11 -1.190 -8.362 7.122 1.00 0.00 H new ATOM 185 N ASP A 12 -2.885 -4.799 3.995 1.00 0.00 N ATOM 186 CA ASP A 12 -2.746 -3.560 3.232 1.00 0.00 C ATOM 187 C ASP A 12 -3.781 -2.473 3.596 1.00 0.00 C ATOM 188 O ASP A 12 -3.583 -1.734 4.564 1.00 0.00 O ATOM 189 CB ASP A 12 -2.772 -3.887 1.749 1.00 0.00 C ATOM 190 CG ASP A 12 -1.394 -4.256 1.239 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.586 -3.334 0.997 1.00 0.00 O ATOM 192 OD2 ASP A 12 -1.115 -5.465 1.103 1.00 0.00 O ATOM 0 H ASP A 12 -2.901 -5.645 3.426 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.786 -3.119 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.461 -4.712 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.150 -3.029 1.193 1.00 0.00 H new ATOM 197 N SER A 13 -4.867 -2.333 2.821 1.00 0.00 N ATOM 198 CA SER A 13 -5.884 -1.301 3.094 1.00 0.00 C ATOM 199 C SER A 13 -7.035 -1.392 2.076 1.00 0.00 C ATOM 200 O SER A 13 -7.596 -0.381 1.644 1.00 0.00 O ATOM 201 CB SER A 13 -5.251 0.088 3.025 1.00 0.00 C ATOM 202 OG SER A 13 -6.224 1.102 3.223 1.00 0.00 O ATOM 0 H SER A 13 -5.065 -2.915 2.007 1.00 0.00 H new ATOM 0 HA SER A 13 -6.284 -1.469 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.472 0.174 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.770 0.225 2.056 1.00 0.00 H new ATOM 0 HG SER A 13 -6.924 1.021 2.542 1.00 0.00 H new ATOM 208 N TYR A 14 -7.363 -2.625 1.709 1.00 0.00 N ATOM 209 CA TYR A 14 -8.421 -2.934 0.743 1.00 0.00 C ATOM 210 C TYR A 14 -9.818 -2.948 1.376 1.00 0.00 C ATOM 211 O TYR A 14 -10.783 -2.438 0.795 1.00 0.00 O ATOM 212 CB TYR A 14 -8.126 -4.294 0.156 1.00 0.00 C ATOM 213 CG TYR A 14 -9.279 -5.256 0.233 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.216 -5.288 -0.766 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.398 -6.144 1.283 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.260 -6.192 -0.737 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.434 -7.043 1.338 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.363 -7.072 0.326 1.00 0.00 C ATOM 219 OH TYR A 14 -12.388 -7.994 0.373 1.00 0.00 O ATOM 0 H TYR A 14 -6.897 -3.454 2.077 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.428 -2.155 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.836 -4.173 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.271 -4.725 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.137 -4.595 -1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.664 -6.131 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.988 -6.212 -1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.518 -7.724 2.172 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.056 -8.867 0.077 1.00 0.00 H new ATOM 229 N GLN A 15 -9.926 -3.604 2.537 1.00 0.00 N ATOM 230 CA GLN A 15 -11.207 -3.777 3.216 1.00 0.00 C ATOM 231 C GLN A 15 -12.001 -2.480 3.352 1.00 0.00 C ATOM 232 O GLN A 15 -13.212 -2.500 3.192 1.00 0.00 O ATOM 233 CB GLN A 15 -10.994 -4.399 4.602 1.00 0.00 C ATOM 234 CG GLN A 15 -10.493 -5.839 4.568 1.00 0.00 C ATOM 235 CD GLN A 15 -11.520 -6.835 5.074 1.00 0.00 C ATOM 236 OE1 GLN A 15 -12.088 -7.609 4.300 1.00 0.00 O ATOM 237 NE2 GLN A 15 -11.767 -6.827 6.375 1.00 0.00 N ATOM 0 H GLN A 15 -9.135 -4.024 3.025 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.797 -4.446 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.279 -3.790 5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.935 -4.366 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.216 -6.098 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.589 -5.918 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.277 -6.171 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.448 -7.477 6.769 1.00 0.00 H new ATOM 246 N LEU A 16 -11.343 -1.363 3.634 1.00 0.00 N ATOM 247 CA LEU A 16 -12.062 -0.094 3.780 1.00 0.00 C ATOM 248 C LEU A 16 -12.836 0.287 2.508 1.00 0.00 C ATOM 249 O LEU A 16 -14.043 0.530 2.563 1.00 0.00 O ATOM 250 CB LEU A 16 -11.097 1.034 4.154 1.00 0.00 C ATOM 251 CG LEU A 16 -11.238 1.555 5.586 1.00 0.00 C ATOM 252 CD1 LEU A 16 -10.037 2.404 5.968 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.522 2.354 5.738 1.00 0.00 C ATOM 0 H LEU A 16 -10.333 -1.304 3.765 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.787 -0.234 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.076 0.681 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.247 1.865 3.464 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.281 0.698 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.157 2.765 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.130 1.803 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.962 3.254 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.606 2.717 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.506 3.202 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.376 1.717 5.508 1.00 0.00 H new ATOM 265 N LEU A 17 -12.129 0.384 1.381 1.00 0.00 N ATOM 266 CA LEU A 17 -12.788 0.799 0.131 1.00 0.00 C ATOM 267 C LEU A 17 -13.921 -0.141 -0.280 1.00 0.00 C ATOM 268 O LEU A 17 -14.970 0.304 -0.752 1.00 0.00 O ATOM 269 CB LEU A 17 -11.811 0.963 -1.020 1.00 0.00 C ATOM 270 CG LEU A 17 -11.809 2.361 -1.651 1.00 0.00 C ATOM 271 CD1 LEU A 17 -10.827 2.440 -2.798 1.00 0.00 C ATOM 272 CD2 LEU A 17 -13.196 2.728 -2.142 1.00 0.00 C ATOM 0 H LEU A 17 -11.131 0.189 1.301 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.220 1.775 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.806 0.737 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.049 0.230 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.503 3.069 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.847 3.442 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.823 2.221 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.102 1.713 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.173 3.723 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.521 2.004 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.893 2.721 -1.304 1.00 0.00 H new ATOM 284 N LYS A 18 -13.712 -1.431 -0.096 1.00 0.00 N ATOM 285 CA LYS A 18 -14.715 -2.432 -0.450 1.00 0.00 C ATOM 286 C LYS A 18 -15.800 -2.556 0.610 1.00 0.00 C ATOM 287 O LYS A 18 -16.967 -2.795 0.299 1.00 0.00 O ATOM 288 CB LYS A 18 -14.046 -3.779 -0.671 1.00 0.00 C ATOM 289 CG LYS A 18 -13.503 -4.361 0.611 1.00 0.00 C ATOM 290 CD LYS A 18 -14.091 -5.728 0.893 1.00 0.00 C ATOM 291 CE LYS A 18 -13.763 -6.195 2.301 1.00 0.00 C ATOM 292 NZ LYS A 18 -13.612 -7.673 2.378 1.00 0.00 N ATOM 0 H LYS A 18 -12.854 -1.817 0.298 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.196 -2.104 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.765 -4.473 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.234 -3.666 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.418 -4.437 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.727 -3.690 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.173 -5.694 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.705 -6.447 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.841 -5.719 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.552 -5.875 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.147 -7.928 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.550 -8.120 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.033 -8.005 1.580 1.00 0.00 H new ATOM 306 N ALA A 19 -15.393 -2.402 1.857 1.00 0.00 N ATOM 307 CA ALA A 19 -16.309 -2.504 2.985 1.00 0.00 C ATOM 308 C ALA A 19 -17.201 -1.280 3.070 1.00 0.00 C ATOM 309 O ALA A 19 -18.284 -1.337 3.657 1.00 0.00 O ATOM 310 CB ALA A 19 -15.559 -2.711 4.296 1.00 0.00 C ATOM 0 H ALA A 19 -14.427 -2.204 2.118 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.938 -3.379 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.273 -2.783 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.976 -3.631 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.890 -1.868 4.470 1.00 0.00 H new ATOM 316 N TYR A 20 -16.759 -0.176 2.465 1.00 0.00 N ATOM 317 CA TYR A 20 -17.551 1.031 2.470 1.00 0.00 C ATOM 318 C TYR A 20 -18.508 1.021 1.283 1.00 0.00 C ATOM 319 O TYR A 20 -19.670 1.386 1.453 1.00 0.00 O ATOM 320 CB TYR A 20 -16.662 2.300 2.544 1.00 0.00 C ATOM 321 CG TYR A 20 -16.407 3.057 1.247 1.00 0.00 C ATOM 322 CD1 TYR A 20 -17.439 3.411 0.383 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.118 3.443 0.907 1.00 0.00 C ATOM 324 CE1 TYR A 20 -17.189 4.115 -0.779 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.862 4.149 -0.249 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.899 4.480 -1.091 1.00 0.00 C ATOM 327 OH TYR A 20 -15.644 5.179 -2.248 1.00 0.00 O ATOM 0 H TYR A 20 -15.868 -0.103 1.975 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.159 1.061 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.120 2.991 3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.697 2.011 2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.453 3.130 0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.299 3.185 1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.002 4.378 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.851 4.441 -0.493 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.683 5.358 -2.317 1.00 0.00 H new ATOM 337 N ASP A 21 -18.053 0.554 0.094 1.00 0.00 N ATOM 338 CA ASP A 21 -18.967 0.480 -1.070 1.00 0.00 C ATOM 339 C ASP A 21 -18.285 0.130 -2.402 1.00 0.00 C ATOM 340 O ASP A 21 -18.963 -0.010 -3.421 1.00 0.00 O ATOM 341 CB ASP A 21 -19.720 1.809 -1.252 1.00 0.00 C ATOM 342 CG ASP A 21 -21.056 1.632 -1.944 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.902 0.878 -1.421 1.00 0.00 O ATOM 344 OD2 ASP A 21 -21.255 2.251 -3.008 1.00 0.00 O ATOM 0 H ASP A 21 -17.100 0.236 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.648 -0.338 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.878 2.269 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.103 2.495 -1.832 1.00 0.00 H new ATOM 349 N VAL A 22 -16.966 0.032 -2.431 1.00 0.00 N ATOM 350 CA VAL A 22 -16.267 -0.233 -3.674 1.00 0.00 C ATOM 351 C VAL A 22 -15.420 -1.497 -3.631 1.00 0.00 C ATOM 352 O VAL A 22 -14.207 -1.436 -3.411 1.00 0.00 O ATOM 353 CB VAL A 22 -15.382 0.982 -3.988 1.00 0.00 C ATOM 354 CG1 VAL A 22 -14.500 0.734 -5.198 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.233 2.224 -4.196 1.00 0.00 C ATOM 0 H VAL A 22 -16.363 0.131 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.012 -0.397 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.729 1.144 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.888 1.616 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.853 -0.122 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.124 0.530 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.588 3.074 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.917 2.061 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.805 2.429 -3.291 1.00 0.00 H new ATOM 365 N ASN A 23 -16.054 -2.655 -3.841 1.00 0.00 N ATOM 366 CA ASN A 23 -15.328 -3.930 -3.837 1.00 0.00 C ATOM 367 C ASN A 23 -14.370 -4.021 -5.026 1.00 0.00 C ATOM 368 O ASN A 23 -14.389 -4.991 -5.776 1.00 0.00 O ATOM 369 CB ASN A 23 -16.282 -5.123 -3.859 1.00 0.00 C ATOM 370 CG ASN A 23 -17.240 -5.112 -5.046 1.00 0.00 C ATOM 371 OD1 ASN A 23 -17.096 -4.321 -5.980 1.00 0.00 O ATOM 372 ND2 ASN A 23 -18.226 -5.996 -5.016 1.00 0.00 N ATOM 0 H ASN A 23 -17.056 -2.737 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.754 -3.963 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.699 -6.044 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -16.860 -5.133 -2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.897 -6.037 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -18.314 -6.635 -4.226 1.00 0.00 H new ATOM 379 N ILE A 24 -13.553 -2.986 -5.173 1.00 0.00 N ATOM 380 CA ILE A 24 -12.555 -2.816 -6.204 1.00 0.00 C ATOM 381 C ILE A 24 -12.961 -3.121 -7.647 1.00 0.00 C ATOM 382 O ILE A 24 -12.211 -2.746 -8.547 1.00 0.00 O ATOM 383 CB ILE A 24 -11.254 -3.520 -5.875 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.430 -4.416 -4.680 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.131 -2.522 -5.668 1.00 0.00 C ATOM 386 CD1 ILE A 24 -12.001 -5.707 -5.124 1.00 0.00 C ATOM 0 H ILE A 24 -13.577 -2.195 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.420 -1.735 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.975 -4.146 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.471 -4.578 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.088 -3.945 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.209 -3.055 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.991 -1.938 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.384 -1.855 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.132 -6.362 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.967 -5.534 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.325 -6.177 -5.839 1.00 0.00 H new ATOM 398 N SER A 25 -14.082 -3.814 -7.900 1.00 0.00 N ATOM 399 CA SER A 25 -14.445 -4.150 -9.278 1.00 0.00 C ATOM 400 C SER A 25 -14.103 -2.995 -10.230 1.00 0.00 C ATOM 401 O SER A 25 -13.240 -3.134 -11.107 1.00 0.00 O ATOM 402 CB SER A 25 -15.938 -4.481 -9.372 1.00 0.00 C ATOM 403 OG SER A 25 -16.162 -5.551 -10.273 1.00 0.00 O ATOM 0 H SER A 25 -14.734 -4.143 -7.188 1.00 0.00 H new ATOM 0 HA SER A 25 -13.869 -5.026 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.319 -4.745 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.490 -3.601 -9.702 1.00 0.00 H new ATOM 0 HG SER A 25 -17.121 -5.747 -10.316 1.00 0.00 H new ATOM 409 N GLY A 26 -14.749 -1.843 -10.028 1.00 0.00 N ATOM 410 CA GLY A 26 -14.473 -0.673 -10.854 1.00 0.00 C ATOM 411 C GLY A 26 -13.276 0.124 -10.353 1.00 0.00 C ATOM 412 O GLY A 26 -12.580 0.769 -11.141 1.00 0.00 O ATOM 0 H GLY A 26 -15.457 -1.700 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.290 -0.992 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.352 -0.029 -10.872 1.00 0.00 H new ATOM 416 N LEU A 27 -13.033 0.077 -9.040 1.00 0.00 N ATOM 417 CA LEU A 27 -11.919 0.781 -8.431 1.00 0.00 C ATOM 418 C LEU A 27 -10.605 0.333 -9.050 1.00 0.00 C ATOM 419 O LEU A 27 -9.899 1.126 -9.675 1.00 0.00 O ATOM 420 CB LEU A 27 -11.909 0.461 -6.943 1.00 0.00 C ATOM 421 CG LEU A 27 -11.278 1.486 -6.019 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.219 0.798 -5.187 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.691 2.642 -6.803 1.00 0.00 C ATOM 0 H LEU A 27 -13.604 -0.449 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.031 1.853 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.940 0.307 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.387 -0.486 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.042 1.904 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.755 1.522 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.678 0.002 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.460 0.373 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.246 3.360 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.925 2.269 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.479 3.130 -7.377 1.00 0.00 H new ATOM 435 N VAL A 28 -10.295 -0.958 -8.888 1.00 0.00 N ATOM 436 CA VAL A 28 -9.076 -1.524 -9.450 1.00 0.00 C ATOM 437 C VAL A 28 -8.930 -1.123 -10.913 1.00 0.00 C ATOM 438 O VAL A 28 -8.009 -0.412 -11.259 1.00 0.00 O ATOM 439 CB VAL A 28 -9.040 -3.064 -9.318 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.155 -3.696 -10.381 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.549 -3.451 -7.941 1.00 0.00 C ATOM 0 H VAL A 28 -10.872 -1.623 -8.374 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.239 -1.122 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.054 -3.437 -9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.154 -4.779 -10.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.538 -3.444 -11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.138 -3.318 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.526 -4.537 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.546 -3.054 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.221 -3.041 -7.187 1.00 0.00 H new ATOM 451 N SER A 29 -9.863 -1.560 -11.756 1.00 0.00 N ATOM 452 CA SER A 29 -9.837 -1.231 -13.181 1.00 0.00 C ATOM 453 C SER A 29 -9.644 0.269 -13.418 1.00 0.00 C ATOM 454 O SER A 29 -8.905 0.662 -14.323 1.00 0.00 O ATOM 455 CB SER A 29 -11.131 -1.691 -13.843 1.00 0.00 C ATOM 456 OG SER A 29 -12.255 -0.966 -13.366 1.00 0.00 O ATOM 0 H SER A 29 -10.650 -2.145 -11.476 1.00 0.00 H new ATOM 0 HA SER A 29 -8.987 -1.751 -13.623 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.051 -1.567 -14.923 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.278 -2.754 -13.654 1.00 0.00 H new ATOM 0 HG SER A 29 -13.044 -1.199 -13.898 1.00 0.00 H new ATOM 462 N THR A 30 -10.274 1.104 -12.589 1.00 0.00 N ATOM 463 CA THR A 30 -10.131 2.545 -12.710 1.00 0.00 C ATOM 464 C THR A 30 -8.712 2.912 -12.360 1.00 0.00 C ATOM 465 O THR A 30 -8.007 3.557 -13.140 1.00 0.00 O ATOM 466 CB THR A 30 -11.096 3.273 -11.774 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.437 2.988 -12.118 1.00 0.00 O ATOM 468 CG2 THR A 30 -10.919 4.775 -11.789 1.00 0.00 C ATOM 0 H THR A 30 -10.885 0.802 -11.830 1.00 0.00 H new ATOM 0 HA THR A 30 -10.365 2.844 -13.732 1.00 0.00 H new ATOM 0 HB THR A 30 -10.864 2.908 -10.773 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.575 2.018 -12.120 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.633 5.232 -11.104 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.905 5.025 -11.476 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.091 5.152 -12.797 1.00 0.00 H new ATOM 476 N THR A 31 -8.293 2.479 -11.176 1.00 0.00 N ATOM 477 CA THR A 31 -6.951 2.746 -10.723 1.00 0.00 C ATOM 478 C THR A 31 -5.935 2.178 -11.714 1.00 0.00 C ATOM 479 O THR A 31 -4.918 2.807 -12.017 1.00 0.00 O ATOM 480 CB THR A 31 -6.695 2.174 -9.335 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.588 2.729 -8.381 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.291 2.453 -8.869 1.00 0.00 C ATOM 0 H THR A 31 -8.866 1.945 -10.523 1.00 0.00 H new ATOM 0 HA THR A 31 -6.837 3.828 -10.664 1.00 0.00 H new ATOM 0 HB THR A 31 -6.848 1.098 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.079 3.230 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.147 2.030 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.581 2.002 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.127 3.530 -8.832 1.00 0.00 H new ATOM 490 N MET A 32 -6.236 0.980 -12.211 1.00 0.00 N ATOM 491 CA MET A 32 -5.405 0.272 -13.167 1.00 0.00 C ATOM 492 C MET A 32 -5.090 1.124 -14.389 1.00 0.00 C ATOM 493 O MET A 32 -3.931 1.296 -14.727 1.00 0.00 O ATOM 494 CB MET A 32 -6.110 -1.017 -13.586 1.00 0.00 C ATOM 495 CG MET A 32 -6.101 -2.076 -12.500 1.00 0.00 C ATOM 496 SD MET A 32 -4.441 -2.491 -11.997 1.00 0.00 S ATOM 497 CE MET A 32 -4.707 -4.129 -11.386 1.00 0.00 C ATOM 0 H MET A 32 -7.081 0.470 -11.952 1.00 0.00 H new ATOM 0 HA MET A 32 -4.455 0.038 -12.687 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.141 -0.790 -13.856 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.627 -1.415 -14.479 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.664 -1.718 -11.638 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.607 -2.972 -12.861 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.360 -4.193 -10.355 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.771 -4.364 -11.426 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.155 -4.840 -12.000 1.00 0.00 H new ATOM 507 N GLN A 33 -6.114 1.654 -15.054 1.00 0.00 N ATOM 508 CA GLN A 33 -5.893 2.487 -16.239 1.00 0.00 C ATOM 509 C GLN A 33 -5.111 3.745 -15.882 1.00 0.00 C ATOM 510 O GLN A 33 -4.157 4.108 -16.577 1.00 0.00 O ATOM 511 CB GLN A 33 -7.223 2.851 -16.898 1.00 0.00 C ATOM 512 CG GLN A 33 -7.104 3.910 -17.991 1.00 0.00 C ATOM 513 CD GLN A 33 -7.159 5.327 -17.449 1.00 0.00 C ATOM 514 OE1 GLN A 33 -8.105 5.703 -16.764 1.00 0.00 O ATOM 515 NE2 GLN A 33 -6.141 6.119 -17.750 1.00 0.00 N ATOM 0 H GLN A 33 -7.093 1.526 -14.799 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.302 1.911 -16.951 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.664 1.950 -17.325 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.910 3.210 -16.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.166 3.768 -18.527 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.908 3.771 -18.713 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.373 5.768 -18.323 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.125 7.080 -17.409 1.00 0.00 H new ATOM 524 N ASN A 34 -5.496 4.400 -14.790 1.00 0.00 N ATOM 525 CA ASN A 34 -4.794 5.602 -14.352 1.00 0.00 C ATOM 526 C ASN A 34 -3.341 5.247 -14.035 1.00 0.00 C ATOM 527 O ASN A 34 -2.417 5.874 -14.559 1.00 0.00 O ATOM 528 CB ASN A 34 -5.523 6.237 -13.154 1.00 0.00 C ATOM 529 CG ASN A 34 -4.611 6.680 -12.028 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.651 7.418 -12.239 1.00 0.00 O ATOM 531 ND2 ASN A 34 -4.921 6.237 -10.819 1.00 0.00 N ATOM 0 H ASN A 34 -6.280 4.123 -14.199 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.789 6.348 -15.147 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.091 7.099 -13.505 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.243 5.519 -12.761 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.353 6.507 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.728 5.626 -10.691 1.00 0.00 H new ATOM 538 N GLU A 35 -3.146 4.207 -13.222 1.00 0.00 N ATOM 539 CA GLU A 35 -1.804 3.749 -12.892 1.00 0.00 C ATOM 540 C GLU A 35 -1.114 3.230 -14.151 1.00 0.00 C ATOM 541 O GLU A 35 0.069 3.474 -14.358 1.00 0.00 O ATOM 542 CB GLU A 35 -1.837 2.667 -11.811 1.00 0.00 C ATOM 543 CG GLU A 35 -0.503 2.490 -11.090 1.00 0.00 C ATOM 544 CD GLU A 35 0.071 3.795 -10.571 1.00 0.00 C ATOM 545 OE1 GLU A 35 0.775 4.476 -11.342 1.00 0.00 O ATOM 546 OE2 GLU A 35 -0.184 4.134 -9.398 1.00 0.00 O ATOM 0 H GLU A 35 -3.897 3.672 -12.785 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.239 4.592 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.606 2.917 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.125 1.719 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.636 1.801 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.213 2.030 -11.771 1.00 0.00 H new ATOM 553 N ALA A 36 -1.871 2.552 -15.022 1.00 0.00 N ATOM 554 CA ALA A 36 -1.329 2.055 -16.284 1.00 0.00 C ATOM 555 C ALA A 36 -0.733 3.222 -17.057 1.00 0.00 C ATOM 556 O ALA A 36 0.375 3.139 -17.594 1.00 0.00 O ATOM 557 CB ALA A 36 -2.420 1.361 -17.095 1.00 0.00 C ATOM 0 H ALA A 36 -2.857 2.337 -14.873 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.548 1.321 -16.087 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.000 0.996 -18.032 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.819 0.522 -16.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.221 2.069 -17.307 1.00 0.00 H new ATOM 563 N ARG A 37 -1.469 4.334 -17.066 1.00 0.00 N ATOM 564 CA ARG A 37 -1.004 5.554 -17.716 1.00 0.00 C ATOM 565 C ARG A 37 0.156 6.142 -16.934 1.00 0.00 C ATOM 566 O ARG A 37 1.214 6.451 -17.483 1.00 0.00 O ATOM 567 CB ARG A 37 -2.104 6.599 -17.745 1.00 0.00 C ATOM 568 CG ARG A 37 -2.606 6.928 -19.137 1.00 0.00 C ATOM 569 CD ARG A 37 -1.650 7.855 -19.876 1.00 0.00 C ATOM 570 NE ARG A 37 -2.338 9.036 -20.411 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.927 9.738 -21.461 1.00 0.00 C ATOM 572 NH1 ARG A 37 -0.802 9.426 -22.080 1.00 0.00 N ATOM 573 NH2 ARG A 37 -2.639 10.765 -21.883 1.00 0.00 N ATOM 0 H ARG A 37 -2.388 4.412 -16.630 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.703 5.296 -18.731 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.941 6.247 -17.142 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.736 7.512 -17.278 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.732 6.007 -19.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.588 7.397 -19.069 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.856 8.172 -19.200 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.175 7.311 -20.692 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.192 9.339 -19.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.241 8.640 -21.752 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.495 9.971 -22.885 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.503 11.018 -21.403 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.326 11.306 -22.689 1.00 0.00 H new ATOM 587 N ARG A 38 -0.097 6.330 -15.645 1.00 0.00 N ATOM 588 CA ARG A 38 0.866 6.923 -14.729 1.00 0.00 C ATOM 589 C ARG A 38 2.204 6.165 -14.681 1.00 0.00 C ATOM 590 O ARG A 38 3.257 6.788 -14.534 1.00 0.00 O ATOM 591 CB ARG A 38 0.261 6.983 -13.324 1.00 0.00 C ATOM 592 CG ARG A 38 0.810 8.106 -12.462 1.00 0.00 C ATOM 593 CD ARG A 38 -0.226 9.198 -12.256 1.00 0.00 C ATOM 594 NE ARG A 38 0.395 10.518 -12.148 1.00 0.00 N ATOM 595 CZ ARG A 38 -0.166 11.649 -12.558 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.385 11.654 -13.063 1.00 0.00 N ATOM 597 NH2 ARG A 38 0.498 12.781 -12.450 1.00 0.00 N ATOM 0 H ARG A 38 -0.981 6.074 -15.205 1.00 0.00 H new ATOM 0 HA ARG A 38 1.084 7.924 -15.101 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.819 7.100 -13.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.440 6.032 -12.822 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.120 7.708 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.698 8.528 -12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.930 9.194 -13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.799 8.990 -11.353 1.00 0.00 H new ATOM 0 HE ARG A 38 1.323 10.573 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.908 10.782 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.804 12.530 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.438 12.785 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.073 13.654 -12.763 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.250 -14.045 6.037 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.314 -12.877 5.149 1.00 0.00 C ATOM 1186 C LYS B 102 -6.674 -12.827 4.446 1.00 0.00 C ATOM 1187 O LYS B 102 -7.478 -13.751 4.591 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.189 -12.920 4.107 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.792 -13.024 4.704 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.410 -11.763 5.463 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.645 -10.786 4.586 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.678 -9.977 5.380 1.00 0.00 N ATOM 0 HA LYS B 102 -5.188 -11.980 5.755 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.354 -13.770 3.445 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.244 -12.022 3.492 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.746 -13.881 5.376 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.069 -13.203 3.909 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -3.311 -11.281 5.844 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.801 -12.029 6.327 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.111 -11.334 3.810 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.347 -10.122 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 0.046 -9.581 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -1.182 -9.202 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.222 -10.582 6.092 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.940 -11.763 3.684 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.212 -11.650 2.985 1.00 0.00 C ATOM 1208 C GLN B 103 -8.030 -11.529 1.483 1.00 0.00 C ATOM 1209 O GLN B 103 -7.512 -10.536 0.976 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.030 -10.478 3.523 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.269 -10.213 2.697 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.297 -11.332 2.753 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.159 -12.289 3.510 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.333 -11.215 1.934 1.00 0.00 N ATOM 0 H GLN B 103 -6.300 -10.982 3.540 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.761 -12.573 3.173 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.320 -10.684 4.553 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.409 -9.582 3.540 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.733 -9.289 3.042 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -9.975 -10.054 1.659 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.409 -10.403 1.321 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.054 -11.937 1.917 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.464 -12.562 0.782 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.354 -12.607 -0.663 1.00 0.00 C ATOM 1225 C ARG B 104 -9.445 -11.794 -1.340 1.00 0.00 C ATOM 1226 O ARG B 104 -10.620 -12.165 -1.332 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.420 -14.051 -1.145 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.658 -14.301 -2.432 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.326 -15.773 -2.594 1.00 0.00 C ATOM 1230 NE ARG B 104 -5.988 -16.099 -2.079 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.732 -16.567 -0.862 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.711 -16.768 0.002 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.490 -16.853 -0.514 1.00 0.00 N ATOM 0 H ARG B 104 -8.899 -13.387 1.196 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.393 -12.169 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.024 -14.703 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.464 -14.328 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.252 -13.964 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.739 -13.715 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.071 -16.372 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.384 -16.043 -3.648 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.195 -15.955 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.675 -16.564 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.503 -17.128 0.934 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -3.729 -16.714 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.292 -17.212 0.420 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.028 -10.708 -1.968 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.932 -9.852 -2.715 1.00 0.00 C ATOM 1249 C ILE B 105 -9.756 -10.178 -4.174 1.00 0.00 C ATOM 1250 O ILE B 105 -8.632 -10.255 -4.633 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.640 -8.360 -2.468 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -8.646 -7.794 -3.489 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.097 -8.187 -1.066 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.836 -6.329 -3.763 1.00 0.00 C ATOM 0 H ILE B 105 -8.057 -10.396 -1.974 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.957 -10.031 -2.390 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.572 -7.807 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -7.631 -7.959 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -8.744 -8.346 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -8.888 -7.133 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -9.833 -8.541 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.178 -8.763 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.099 -5.997 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.838 -6.159 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.709 -5.766 -2.838 1.00 0.00 H new ATOM 1266 N THR B 106 -10.826 -10.419 -4.897 1.00 0.00 N ATOM 1267 CA THR B 106 -10.676 -10.780 -6.299 1.00 0.00 C ATOM 1268 C THR B 106 -11.607 -9.972 -7.210 1.00 0.00 C ATOM 1269 O THR B 106 -12.823 -10.140 -7.170 1.00 0.00 O ATOM 1270 CB THR B 106 -10.855 -12.312 -6.469 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.924 -12.638 -7.342 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.101 -13.051 -5.167 1.00 0.00 C ATOM 0 H THR B 106 -11.786 -10.375 -4.556 1.00 0.00 H new ATOM 0 HA THR B 106 -9.666 -10.521 -6.616 1.00 0.00 H new ATOM 0 HB THR B 106 -9.902 -12.634 -6.888 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.412 -13.410 -6.987 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.216 -14.116 -5.369 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.255 -12.898 -4.496 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.009 -12.671 -4.699 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.014 -9.166 -8.106 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.784 -8.423 -9.108 1.00 0.00 C ATOM 1282 C VAL B 107 -11.654 -9.168 -10.424 1.00 0.00 C ATOM 1283 O VAL B 107 -10.601 -9.119 -11.059 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.340 -6.932 -9.310 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -9.829 -6.769 -9.246 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.860 -6.367 -10.641 1.00 0.00 C ATOM 0 H VAL B 107 -10.006 -9.015 -8.154 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.812 -8.369 -8.749 1.00 0.00 H new ATOM 0 HB VAL B 107 -11.780 -6.369 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.570 -5.720 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.468 -7.101 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.365 -7.369 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.534 -5.332 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.466 -6.960 -11.467 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.949 -6.408 -10.653 1.00 0.00 H new ATOM 1296 N THR B 108 -12.694 -9.877 -10.828 1.00 0.00 N ATOM 1297 CA THR B 108 -12.642 -10.623 -12.071 1.00 0.00 C ATOM 1298 C THR B 108 -12.639 -9.655 -13.251 1.00 0.00 C ATOM 1299 O THR B 108 -13.692 -9.187 -13.687 1.00 0.00 O ATOM 1300 CB THR B 108 -13.822 -11.582 -12.163 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.021 -10.958 -11.757 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.658 -12.826 -11.348 1.00 0.00 C ATOM 0 H THR B 108 -13.575 -9.951 -10.319 1.00 0.00 H new ATOM 0 HA THR B 108 -11.725 -11.212 -12.097 1.00 0.00 H new ATOM 0 HB THR B 108 -13.863 -11.865 -13.215 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.096 -10.082 -12.189 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.539 -13.457 -11.466 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.775 -13.369 -11.686 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.540 -12.560 -10.298 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.442 -9.338 -13.741 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.295 -8.400 -14.850 1.00 0.00 C ATOM 1312 C VAL B 109 -11.251 -9.116 -16.206 1.00 0.00 C ATOM 1313 O VAL B 109 -11.987 -10.077 -16.411 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.064 -7.480 -14.686 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.339 -6.132 -15.335 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.700 -7.290 -13.220 1.00 0.00 C ATOM 0 H VAL B 109 -10.563 -9.716 -13.388 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.184 -7.769 -14.828 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.217 -7.957 -15.180 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.468 -5.487 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -10.544 -6.274 -16.396 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.202 -5.668 -14.858 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.830 -6.638 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.540 -6.839 -12.692 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.469 -8.257 -12.774 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.460 -8.586 -17.158 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.394 -9.105 -18.534 1.00 0.00 C ATOM 1328 C ASP B 110 -11.406 -8.319 -19.386 1.00 0.00 C ATOM 1329 O ASP B 110 -11.391 -8.365 -20.615 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.652 -10.620 -18.606 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.360 -11.210 -19.976 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -9.407 -10.747 -20.636 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -11.082 -12.148 -20.383 1.00 0.00 O ATOM 0 H ASP B 110 -9.849 -7.786 -16.993 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.385 -8.964 -18.922 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.035 -11.123 -17.861 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.692 -10.818 -18.346 1.00 0.00 H new ATOM 1338 N SER B 111 -12.243 -7.543 -18.680 1.00 0.00 N ATOM 1339 CA SER B 111 -13.236 -6.672 -19.282 1.00 0.00 C ATOM 1340 C SER B 111 -12.945 -5.234 -18.844 1.00 0.00 C ATOM 1341 O SER B 111 -12.634 -4.390 -19.678 1.00 0.00 O ATOM 1342 CB SER B 111 -14.654 -7.090 -18.873 1.00 0.00 C ATOM 1343 OG SER B 111 -15.386 -7.588 -19.985 1.00 0.00 O ATOM 0 H SER B 111 -12.240 -7.510 -17.661 1.00 0.00 H new ATOM 0 HA SER B 111 -13.180 -6.747 -20.368 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.601 -7.855 -18.098 1.00 0.00 H new ATOM 0 HB3 SER B 111 -15.178 -6.236 -18.443 1.00 0.00 H new ATOM 0 HG SER B 111 -16.285 -7.848 -19.695 1.00 0.00 H new ATOM 1349 N ASP B 112 -13.064 -4.967 -17.524 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.828 -3.630 -16.960 1.00 0.00 C ATOM 1351 C ASP B 112 -11.563 -2.946 -17.533 1.00 0.00 C ATOM 1352 O ASP B 112 -11.634 -2.284 -18.574 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.748 -3.738 -15.437 1.00 0.00 C ATOM 1354 CG ASP B 112 -14.058 -3.408 -14.754 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.916 -4.308 -14.653 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.218 -2.250 -14.312 1.00 0.00 O ATOM 0 H ASP B 112 -13.324 -5.668 -16.830 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.666 -2.994 -17.246 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.447 -4.750 -15.165 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -11.973 -3.065 -15.070 1.00 0.00 H new ATOM 1361 N SER B 113 -10.408 -3.071 -16.851 1.00 0.00 N ATOM 1362 CA SER B 113 -9.156 -2.439 -17.314 1.00 0.00 C ATOM 1363 C SER B 113 -7.983 -2.793 -16.381 1.00 0.00 C ATOM 1364 O SER B 113 -7.167 -1.942 -16.028 1.00 0.00 O ATOM 1365 CB SER B 113 -9.319 -0.917 -17.388 1.00 0.00 C ATOM 1366 OG SER B 113 -9.761 -0.519 -18.674 1.00 0.00 O ATOM 0 H SER B 113 -10.315 -3.600 -15.984 1.00 0.00 H new ATOM 0 HA SER B 113 -8.936 -2.823 -18.310 1.00 0.00 H new ATOM 0 HB2 SER B 113 -10.034 -0.587 -16.635 1.00 0.00 H new ATOM 0 HB3 SER B 113 -8.369 -0.434 -17.160 1.00 0.00 H new ATOM 0 HG SER B 113 -10.590 -0.993 -18.896 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.925 -4.062 -15.976 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.887 -4.570 -15.069 1.00 0.00 C ATOM 1374 C TYR B 114 -5.581 -4.913 -15.795 1.00 0.00 C ATOM 1375 O TYR B 114 -4.494 -4.608 -15.303 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.415 -5.819 -14.371 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.378 -6.890 -14.170 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.585 -6.895 -13.042 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.196 -7.888 -15.112 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.633 -7.870 -12.846 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.250 -8.868 -14.935 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.465 -8.859 -13.797 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.517 -9.838 -13.615 1.00 0.00 O ATOM 0 H TYR B 114 -8.598 -4.772 -16.267 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.660 -3.781 -14.352 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.823 -5.536 -13.401 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.238 -6.229 -14.956 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.713 -6.121 -12.300 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -6.808 -7.896 -16.002 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.022 -7.862 -11.956 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.120 -9.640 -15.679 1.00 0.00 H new ATOM 0 HH TYR B 114 -2.693 -9.435 -13.270 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.696 -5.606 -16.929 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.522 -6.061 -17.678 1.00 0.00 C ATOM 1395 C GLN B 115 -3.492 -4.952 -17.931 1.00 0.00 C ATOM 1396 O GLN B 115 -2.301 -5.185 -17.775 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.937 -6.706 -19.007 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.149 -7.626 -18.908 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.964 -8.920 -19.680 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.031 -9.682 -19.422 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.848 -9.179 -20.631 1.00 0.00 N ATOM 0 H GLN B 115 -6.589 -5.865 -17.349 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.036 -6.805 -17.047 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.152 -5.918 -19.728 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.095 -7.276 -19.399 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.341 -7.857 -17.860 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -7.028 -7.104 -19.286 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.607 -8.523 -20.814 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.770 -10.035 -21.180 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.936 -3.758 -18.318 1.00 0.00 N ATOM 1411 CA LEU B 116 -3.007 -2.645 -18.585 1.00 0.00 C ATOM 1412 C LEU B 116 -2.010 -2.424 -17.436 1.00 0.00 C ATOM 1413 O LEU B 116 -0.862 -2.072 -17.674 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.785 -1.352 -18.861 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.417 -0.631 -20.162 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.320 0.571 -20.377 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.959 -0.200 -20.147 1.00 0.00 C ATOM 0 H LEU B 116 -4.921 -3.530 -18.455 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.430 -2.918 -19.469 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.849 -1.586 -18.883 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.626 -0.667 -18.028 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.560 -1.327 -20.988 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.045 1.071 -21.305 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.357 0.241 -20.436 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.207 1.265 -19.544 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.721 0.310 -21.081 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.788 0.477 -19.310 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.321 -1.077 -20.040 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.450 -2.664 -16.202 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.543 -2.504 -15.057 1.00 0.00 C ATOM 1431 C LEU B 117 -0.594 -3.688 -14.918 1.00 0.00 C ATOM 1432 O LEU B 117 0.629 -3.521 -14.896 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.266 -2.241 -13.750 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.029 -0.843 -13.144 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -2.042 -0.907 -11.632 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -0.711 -0.231 -13.610 1.00 0.00 C ATOM 0 H LEU B 117 -3.397 -2.961 -15.968 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.954 -1.613 -15.274 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.336 -2.374 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -1.957 -2.993 -13.024 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.843 -0.207 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.873 0.090 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.008 -1.279 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.254 -1.578 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.587 0.753 -13.158 1.00 0.00 H new ATOM 0 HD22 LEU B 117 0.115 -0.875 -13.310 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.719 -0.133 -14.696 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.158 -4.884 -14.860 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.367 -6.101 -14.757 1.00 0.00 C ATOM 1450 C LYS B 118 0.492 -6.269 -15.999 1.00 0.00 C ATOM 1451 O LYS B 118 1.552 -6.894 -15.964 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.282 -7.300 -14.566 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.264 -7.459 -15.702 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.304 -8.903 -16.184 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.612 -8.996 -17.666 1.00 0.00 C ATOM 1456 NZ LYS B 118 -3.205 -10.316 -18.025 1.00 0.00 N ATOM 0 H LYS B 118 -2.166 -5.039 -14.883 1.00 0.00 H new ATOM 0 HA LYS B 118 0.292 -6.030 -13.891 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.679 -8.204 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.828 -7.192 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.258 -7.152 -15.375 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.983 -6.803 -16.526 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.345 -9.380 -15.982 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.058 -9.453 -15.621 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.302 -8.199 -17.945 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.697 -8.840 -18.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.520 -10.864 -18.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -3.441 -10.838 -17.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -4.068 -10.168 -18.585 1.00 0.00 H new ATOM 1470 N ALA B 119 0.020 -5.673 -17.090 1.00 0.00 N ATOM 1471 CA ALA B 119 0.726 -5.703 -18.361 1.00 0.00 C ATOM 1472 C ALA B 119 2.147 -5.184 -18.174 1.00 0.00 C ATOM 1473 O ALA B 119 3.061 -5.564 -18.907 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.016 -4.884 -19.409 1.00 0.00 C ATOM 0 H ALA B 119 -0.860 -5.158 -17.115 1.00 0.00 H new ATOM 0 HA ALA B 119 0.772 -6.733 -18.715 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.529 -4.920 -20.352 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.015 -5.295 -19.552 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.094 -3.850 -19.074 1.00 0.00 H new ATOM 1480 N TYR B 120 2.324 -4.337 -17.155 1.00 0.00 N ATOM 1481 CA TYR B 120 3.626 -3.790 -16.825 1.00 0.00 C ATOM 1482 C TYR B 120 4.346 -4.741 -15.874 1.00 0.00 C ATOM 1483 O TYR B 120 5.500 -5.086 -16.123 1.00 0.00 O ATOM 1484 CB TYR B 120 3.503 -2.421 -16.148 1.00 0.00 C ATOM 1485 CG TYR B 120 2.923 -1.331 -17.018 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.711 -0.642 -17.930 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.589 -0.980 -16.907 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.180 0.368 -18.708 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.050 0.023 -17.684 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.850 0.693 -18.581 1.00 0.00 C ATOM 1491 OH TYR B 120 1.317 1.701 -19.345 1.00 0.00 O ATOM 0 H TYR B 120 1.570 -4.019 -16.546 1.00 0.00 H new ATOM 0 HA TYR B 120 4.186 -3.671 -17.752 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.881 -2.526 -15.259 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.491 -2.109 -15.810 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.755 -0.900 -18.033 1.00 0.00 H new ATOM 0 HD2 TYR B 120 0.960 -1.500 -16.200 1.00 0.00 H new ATOM 0 HE1 TYR B 120 3.805 0.899 -19.411 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.006 0.282 -17.589 1.00 0.00 H new ATOM 0 HH TYR B 120 1.112 2.471 -18.774 1.00 0.00 H new ATOM 1501 N ASP B 121 3.625 -5.160 -14.802 1.00 0.00 N ATOM 1502 CA ASP B 121 4.133 -6.091 -13.769 1.00 0.00 C ATOM 1503 C ASP B 121 3.760 -5.636 -12.346 1.00 0.00 C ATOM 1504 O ASP B 121 4.526 -5.832 -11.400 1.00 0.00 O ATOM 1505 CB ASP B 121 5.648 -6.252 -13.866 1.00 0.00 C ATOM 1506 CG ASP B 121 6.430 -5.014 -13.437 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.850 -3.902 -13.421 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.626 -5.160 -13.116 1.00 0.00 O ATOM 0 H ASP B 121 2.666 -4.856 -14.632 1.00 0.00 H new ATOM 0 HA ASP B 121 3.655 -7.052 -13.960 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.954 -7.096 -13.247 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.912 -6.498 -14.894 1.00 0.00 H new ATOM 1513 N VAL B 122 2.590 -5.027 -12.199 1.00 0.00 N ATOM 1514 CA VAL B 122 2.140 -4.538 -10.898 1.00 0.00 C ATOM 1515 C VAL B 122 0.827 -5.170 -10.465 1.00 0.00 C ATOM 1516 O VAL B 122 0.635 -5.464 -9.280 1.00 0.00 O ATOM 1517 CB VAL B 122 1.999 -2.997 -10.924 1.00 0.00 C ATOM 1518 CG1 VAL B 122 0.746 -2.566 -11.674 1.00 0.00 C ATOM 1519 CG2 VAL B 122 1.999 -2.428 -9.515 1.00 0.00 C ATOM 0 H VAL B 122 1.935 -4.859 -12.963 1.00 0.00 H new ATOM 0 HA VAL B 122 2.898 -4.825 -10.169 1.00 0.00 H new ATOM 0 HB VAL B 122 2.862 -2.598 -11.457 1.00 0.00 H new ATOM 0 HG11 VAL B 122 0.678 -1.478 -11.673 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.795 -2.926 -12.702 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.133 -2.985 -11.185 1.00 0.00 H new ATOM 0 HG21 VAL B 122 1.899 -1.344 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.164 -2.846 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL B 122 2.935 -2.685 -9.019 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.096 -5.349 -11.407 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.392 -5.902 -11.080 1.00 0.00 C ATOM 1531 C ASN B 123 -2.046 -4.968 -10.064 1.00 0.00 C ATOM 1532 O ASN B 123 -2.248 -3.788 -10.352 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.253 -7.339 -10.540 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.878 -8.343 -11.614 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -1.747 -8.954 -12.237 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.415 -8.524 -11.837 1.00 0.00 N ATOM 0 H ASN B 123 0.035 -5.119 -12.392 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.020 -5.971 -11.968 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.496 -7.355 -9.756 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.194 -7.641 -10.081 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.722 -9.189 -12.547 1.00 0.00 H new ATOM 0 HD22 ASN B 123 1.104 -7.998 -11.299 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.359 -5.462 -8.877 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.975 -4.599 -7.874 1.00 0.00 C ATOM 1545 C ILE B 124 -2.458 -4.802 -6.460 1.00 0.00 C ATOM 1546 O ILE B 124 -2.991 -4.190 -5.532 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.504 -4.722 -7.837 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.977 -5.866 -8.704 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.154 -3.425 -8.276 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.390 -7.180 -8.282 1.00 0.00 C ATOM 0 H ILE B 124 -2.204 -6.427 -8.586 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.685 -3.602 -8.206 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.799 -4.929 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.065 -5.926 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.709 -5.667 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.238 -3.532 -8.243 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.848 -2.620 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.843 -3.189 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.760 -7.970 -8.935 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.303 -7.132 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.680 -7.394 -7.253 1.00 0.00 H new ATOM 1562 N SER B 125 -1.459 -5.664 -6.278 1.00 0.00 N ATOM 1563 CA SER B 125 -0.943 -5.919 -4.928 1.00 0.00 C ATOM 1564 C SER B 125 -0.871 -4.598 -4.150 1.00 0.00 C ATOM 1565 O SER B 125 -1.609 -4.383 -3.173 1.00 0.00 O ATOM 1566 CB SER B 125 0.440 -6.571 -4.998 1.00 0.00 C ATOM 1567 OG SER B 125 0.627 -7.497 -3.940 1.00 0.00 O ATOM 0 H SER B 125 -0.999 -6.186 -7.024 1.00 0.00 H new ATOM 0 HA SER B 125 -1.617 -6.603 -4.412 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.556 -7.080 -5.955 1.00 0.00 H new ATOM 0 HB3 SER B 125 1.210 -5.801 -4.951 1.00 0.00 H new ATOM 0 HG SER B 125 1.518 -7.899 -4.011 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.010 -3.696 -4.620 1.00 0.00 N ATOM 1574 CA GLY B 126 0.123 -2.395 -3.994 1.00 0.00 C ATOM 1575 C GLY B 126 -0.913 -1.407 -4.502 1.00 0.00 C ATOM 1576 O GLY B 126 -1.233 -0.434 -3.820 1.00 0.00 O ATOM 0 H GLY B 126 0.598 -3.846 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY B 126 0.023 -2.501 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.122 -2.002 -4.184 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.445 -1.654 -5.707 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.444 -0.774 -6.288 1.00 0.00 C ATOM 1582 C LEU B 127 -3.713 -0.763 -5.459 1.00 0.00 C ATOM 1583 O LEU B 127 -4.090 0.278 -4.943 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.782 -1.177 -7.714 1.00 0.00 C ATOM 1585 CG LEU B 127 -3.447 -0.078 -8.527 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -2.394 0.847 -9.105 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -4.309 -0.679 -9.622 1.00 0.00 C ATOM 0 H LEU B 127 -1.196 -2.454 -6.289 1.00 0.00 H new ATOM 0 HA LEU B 127 -2.013 0.227 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.867 -1.486 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.441 -2.045 -7.689 1.00 0.00 H new ATOM 0 HG LEU B 127 -4.095 0.507 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -2.878 1.632 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -1.821 1.297 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -1.725 0.278 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.778 0.120 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.688 -1.284 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -5.080 -1.306 -9.175 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.369 -1.921 -5.315 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.580 -1.989 -4.516 1.00 0.00 C ATOM 1601 C VAL B 128 -5.311 -1.378 -3.140 1.00 0.00 C ATOM 1602 O VAL B 128 -5.912 -0.392 -2.757 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.062 -3.444 -4.377 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.072 -3.579 -3.247 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.651 -3.933 -5.696 1.00 0.00 C ATOM 0 H VAL B 128 -4.082 -2.804 -5.736 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.368 -1.424 -5.014 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.204 -4.068 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.396 -4.617 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.611 -3.273 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.934 -2.944 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -6.988 -4.963 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.496 -3.303 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.890 -3.883 -6.475 1.00 0.00 H new ATOM 1615 N SER B 129 -4.384 -1.972 -2.422 1.00 0.00 N ATOM 1616 CA SER B 129 -3.994 -1.525 -1.090 1.00 0.00 C ATOM 1617 C SER B 129 -3.724 -0.010 -1.012 1.00 0.00 C ATOM 1618 O SER B 129 -4.253 0.657 -0.119 1.00 0.00 O ATOM 1619 CB SER B 129 -2.734 -2.284 -0.687 1.00 0.00 C ATOM 1620 OG SER B 129 -1.808 -2.343 -1.758 1.00 0.00 O ATOM 0 H SER B 129 -3.869 -2.791 -2.745 1.00 0.00 H new ATOM 0 HA SER B 129 -4.824 -1.727 -0.413 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.271 -1.797 0.171 1.00 0.00 H new ATOM 0 HB3 SER B 129 -2.999 -3.294 -0.375 1.00 0.00 H new ATOM 0 HG SER B 129 -1.610 -3.280 -1.968 1.00 0.00 H new ATOM 1626 N THR B 130 -2.926 0.546 -1.929 1.00 0.00 N ATOM 1627 CA THR B 130 -2.645 1.987 -1.896 1.00 0.00 C ATOM 1628 C THR B 130 -3.828 2.773 -2.441 1.00 0.00 C ATOM 1629 O THR B 130 -4.218 3.800 -1.880 1.00 0.00 O ATOM 1630 CB THR B 130 -1.369 2.339 -2.683 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.591 3.286 -1.973 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.629 2.928 -4.056 1.00 0.00 C ATOM 0 H THR B 130 -2.472 0.036 -2.687 1.00 0.00 H new ATOM 0 HA THR B 130 -2.481 2.263 -0.854 1.00 0.00 H new ATOM 0 HB THR B 130 -0.851 1.388 -2.806 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.217 3.497 -2.487 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.679 3.148 -4.543 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.189 2.213 -4.658 1.00 0.00 H new ATOM 0 HG23 THR B 130 -2.206 3.847 -3.954 1.00 0.00 H new ATOM 1640 N THR B 131 -4.388 2.291 -3.546 1.00 0.00 N ATOM 1641 CA THR B 131 -5.518 2.954 -4.170 1.00 0.00 C ATOM 1642 C THR B 131 -6.725 2.958 -3.233 1.00 0.00 C ATOM 1643 O THR B 131 -7.433 3.960 -3.125 1.00 0.00 O ATOM 1644 CB THR B 131 -5.858 2.327 -5.528 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.332 3.320 -6.423 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.906 1.237 -5.473 1.00 0.00 C ATOM 0 H THR B 131 -4.076 1.446 -4.024 1.00 0.00 H new ATOM 0 HA THR B 131 -5.238 3.990 -4.360 1.00 0.00 H new ATOM 0 HB THR B 131 -4.924 1.877 -5.865 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.597 3.923 -6.661 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.083 0.852 -6.477 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.557 0.429 -4.830 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.834 1.644 -5.072 1.00 0.00 H new ATOM 1654 N MET B 132 -6.933 1.842 -2.530 1.00 0.00 N ATOM 1655 CA MET B 132 -8.020 1.722 -1.578 1.00 0.00 C ATOM 1656 C MET B 132 -7.845 2.706 -0.443 1.00 0.00 C ATOM 1657 O MET B 132 -8.720 3.516 -0.197 1.00 0.00 O ATOM 1658 CB MET B 132 -8.085 0.305 -1.031 1.00 0.00 C ATOM 1659 CG MET B 132 -8.408 -0.714 -2.093 1.00 0.00 C ATOM 1660 SD MET B 132 -10.148 -0.772 -2.477 1.00 0.00 S ATOM 1661 CE MET B 132 -10.332 -2.523 -2.634 1.00 0.00 C ATOM 0 H MET B 132 -6.353 1.007 -2.609 1.00 0.00 H new ATOM 0 HA MET B 132 -8.954 1.947 -2.093 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.130 0.053 -0.571 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.840 0.257 -0.246 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.847 -0.481 -2.998 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.080 -1.698 -1.759 1.00 0.00 H new ATOM 0 HE1 MET B 132 -11.392 -2.776 -2.663 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.853 -2.858 -3.554 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.865 -3.016 -1.782 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.708 2.634 0.249 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.441 3.535 1.368 1.00 0.00 C ATOM 1673 C GLN B 133 -6.718 4.986 0.987 1.00 0.00 C ATOM 1674 O GLN B 133 -7.232 5.752 1.802 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.993 3.383 1.838 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.580 4.381 2.915 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.315 4.174 4.228 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.751 3.668 5.194 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.576 4.577 4.273 1.00 0.00 N ATOM 0 H GLN B 133 -5.962 1.966 0.056 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.111 3.264 2.184 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.851 2.372 2.221 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.330 3.495 0.980 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.507 4.297 3.088 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.767 5.393 2.556 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -7.008 4.993 3.448 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.115 4.472 5.133 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.395 5.360 -0.250 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.636 6.725 -0.706 1.00 0.00 C ATOM 1690 C ASN B 134 -8.130 7.024 -0.751 1.00 0.00 C ATOM 1691 O ASN B 134 -8.597 7.945 -0.080 1.00 0.00 O ATOM 1692 CB ASN B 134 -6.010 6.943 -2.089 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.558 7.360 -2.028 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.245 8.513 -1.726 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.661 6.432 -2.336 1.00 0.00 N ATOM 0 H ASN B 134 -5.971 4.745 -0.945 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.170 7.409 0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -6.093 6.023 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -6.578 7.706 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.667 6.661 -2.329 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.965 5.490 -2.580 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.883 6.228 -1.510 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.328 6.412 -1.602 1.00 0.00 C ATOM 1704 C GLU B 135 -11.029 5.897 -0.343 1.00 0.00 C ATOM 1705 O GLU B 135 -12.215 6.153 -0.138 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.879 5.722 -2.852 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.603 6.488 -4.144 1.00 0.00 C ATOM 1708 CD GLU B 135 -10.368 7.969 -3.918 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -11.360 8.721 -3.830 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -9.191 8.375 -3.818 1.00 0.00 O ATOM 0 H GLU B 135 -8.518 5.455 -2.066 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.529 7.480 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -10.443 4.726 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.955 5.591 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -9.730 6.058 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.446 6.359 -4.823 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.273 5.223 0.527 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.789 4.729 1.790 1.00 0.00 C ATOM 1719 C ALA B 136 -10.649 5.835 2.829 1.00 0.00 C ATOM 1720 O ALA B 136 -11.470 5.971 3.731 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.028 3.480 2.228 1.00 0.00 C ATOM 0 H ALA B 136 -9.288 5.009 0.369 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.838 4.454 1.681 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.429 3.124 3.177 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.139 2.702 1.472 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.972 3.721 2.348 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.593 6.641 2.670 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.338 7.766 3.553 1.00 0.00 C ATOM 1729 C ARG B 137 -10.159 8.959 3.132 1.00 0.00 C ATOM 1730 O ARG B 137 -10.748 9.664 3.950 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.887 8.195 3.452 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.064 7.881 4.677 1.00 0.00 C ATOM 1733 CD ARG B 137 -7.617 8.583 5.904 1.00 0.00 C ATOM 1734 NE ARG B 137 -7.581 7.722 7.090 1.00 0.00 N ATOM 1735 CZ ARG B 137 -8.014 8.086 8.291 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -8.535 9.285 8.480 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -7.931 7.244 9.303 1.00 0.00 N ATOM 0 H ARG B 137 -8.901 6.527 1.929 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.589 7.448 4.565 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.434 7.707 2.589 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.849 9.269 3.267 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.053 6.804 4.845 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.031 8.189 4.513 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -7.040 9.488 6.095 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -8.644 8.894 5.712 1.00 0.00 H new ATOM 0 HE ARG B 137 -7.198 6.782 6.986 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -8.607 9.939 7.700 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -8.866 9.557 9.406 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -7.535 6.315 9.162 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -8.263 7.522 10.226 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.114 9.201 1.834 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.771 10.343 1.235 1.00 0.00 C ATOM 1753 C ARG B 138 -12.289 10.182 1.045 1.00 0.00 C ATOM 1754 O ARG B 138 -12.968 11.179 0.820 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.119 10.666 -0.108 1.00 0.00 C ATOM 1756 CG ARG B 138 -8.657 11.054 0.011 1.00 0.00 C ATOM 1757 CD ARG B 138 -8.106 11.540 -1.313 1.00 0.00 C ATOM 1758 NE ARG B 138 -6.857 10.863 -1.667 1.00 0.00 N ATOM 1759 CZ ARG B 138 -6.144 11.141 -2.748 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -6.572 12.039 -3.612 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -5.012 10.507 -2.973 1.00 0.00 N ATOM 0 H ARG B 138 -9.619 8.609 1.167 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.644 11.162 1.942 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -10.205 9.799 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.666 11.480 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -8.546 11.836 0.762 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -8.078 10.197 0.355 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.845 11.372 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -7.934 12.615 -1.262 1.00 0.00 H new ATOM 0 HE ARG B 138 -6.515 10.132 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -7.455 12.523 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -6.020 12.250 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -4.683 9.801 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -4.464 10.722 -3.806 1.00 0.00 H new