USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.135 F(o=-0.76,f=-0.13) USER MOD Single : A 24 THR OG1 : rot 135:sc= 0.996 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 154:sc= -0.0683 (180deg=-1.39) USER MOD Single : A 32 MET CE :methyl -150:sc= 0 (180deg=-0.197) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 42 MET CE :methyl -118:sc= -3.07! (180deg=-6.15!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0373 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-9.2!) USER MOD Single : A 56 TYR OH : rot -44:sc= 1.27 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -172:sc= -7.37! (180deg=-7.82!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.87 F(o=-6.2!,f=-0.87) USER MOD Single : A 81 ASN : amide:sc= -4.73! C(o=-4.7!,f=-6.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -2.58! C(o=-3.2!,f=-2.6!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.0829 X(o=-0.083,f=-0.004) USER MOD Single : A 131 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-2.7) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.733 5.099 18.160 1.00 0.00 N ATOM 96 CA PRO A 7 2.547 6.317 18.077 1.00 0.00 C ATOM 97 C PRO A 7 3.144 6.536 16.697 1.00 0.00 C ATOM 98 O PRO A 7 3.926 7.461 16.481 1.00 0.00 O ATOM 99 CB PRO A 7 3.666 6.083 19.097 1.00 0.00 C ATOM 100 CG PRO A 7 3.202 4.942 19.940 1.00 0.00 C ATOM 101 CD PRO A 7 2.347 4.098 19.044 1.00 0.00 C ATOM 0 HA PRO A 7 1.945 7.204 18.274 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.607 5.847 18.600 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.839 6.973 19.702 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.047 4.372 20.326 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.636 5.296 20.801 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.937 3.371 18.486 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.599 3.538 19.605 1.00 0.00 H new ATOM 109 N VAL A 8 2.767 5.677 15.774 1.00 0.00 N ATOM 110 CA VAL A 8 3.255 5.750 14.401 1.00 0.00 C ATOM 111 C VAL A 8 2.216 6.380 13.476 1.00 0.00 C ATOM 112 O VAL A 8 1.032 6.052 13.543 1.00 0.00 O ATOM 113 CB VAL A 8 3.614 4.351 13.865 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.014 4.420 12.398 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.724 3.728 14.700 1.00 0.00 C ATOM 0 H VAL A 8 2.117 4.910 15.946 1.00 0.00 H new ATOM 0 HA VAL A 8 4.149 6.374 14.415 1.00 0.00 H new ATOM 0 HB VAL A 8 2.730 3.717 13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.263 3.421 12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.185 4.818 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.881 5.071 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.964 2.740 14.307 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.610 4.361 14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.393 3.636 15.735 1.00 0.00 H new ATOM 125 N THR A 9 2.673 7.279 12.608 1.00 0.00 N ATOM 126 CA THR A 9 1.791 7.958 11.663 1.00 0.00 C ATOM 127 C THR A 9 2.539 8.330 10.385 1.00 0.00 C ATOM 128 O THR A 9 3.706 8.719 10.432 1.00 0.00 O ATOM 129 CB THR A 9 1.184 9.238 12.269 1.00 0.00 C ATOM 130 OG1 THR A 9 2.229 10.114 12.711 1.00 0.00 O ATOM 131 CG2 THR A 9 0.264 8.912 13.436 1.00 0.00 C ATOM 0 H THR A 9 3.653 7.555 12.540 1.00 0.00 H new ATOM 0 HA THR A 9 0.988 7.259 11.430 1.00 0.00 H new ATOM 0 HB THR A 9 0.596 9.731 11.495 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.835 10.926 13.093 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.149 9.835 13.843 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.548 8.272 13.091 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.829 8.395 14.211 1.00 0.00 H new ATOM 139 N ALA A 10 1.863 8.206 9.246 1.00 0.00 N ATOM 140 CA ALA A 10 2.466 8.539 7.961 1.00 0.00 C ATOM 141 C ALA A 10 2.473 10.049 7.739 1.00 0.00 C ATOM 142 O ALA A 10 1.979 10.809 8.572 1.00 0.00 O ATOM 143 CB ALA A 10 1.724 7.839 6.832 1.00 0.00 C ATOM 0 H ALA A 10 0.899 7.878 9.188 1.00 0.00 H new ATOM 0 HA ALA A 10 3.499 8.192 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.185 8.097 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.773 6.760 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.682 8.158 6.829 1.00 0.00 H new ATOM 149 N SER A 11 3.035 10.478 6.612 1.00 0.00 N ATOM 150 CA SER A 11 3.104 11.901 6.290 1.00 0.00 C ATOM 151 C SER A 11 3.218 12.122 4.785 1.00 0.00 C ATOM 152 O SER A 11 3.698 11.258 4.055 1.00 0.00 O ATOM 153 CB SER A 11 4.294 12.546 7.004 1.00 0.00 C ATOM 154 OG SER A 11 4.368 13.932 6.722 1.00 0.00 O ATOM 0 H SER A 11 3.447 9.864 5.909 1.00 0.00 H new ATOM 0 HA SER A 11 2.181 12.369 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.202 12.395 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.217 12.058 6.691 1.00 0.00 H new ATOM 0 HG SER A 11 5.135 14.321 7.191 1.00 0.00 H new ATOM 160 N LEU A 12 2.775 13.288 4.324 1.00 0.00 N ATOM 161 CA LEU A 12 2.828 13.615 2.904 1.00 0.00 C ATOM 162 C LEU A 12 4.164 14.256 2.538 1.00 0.00 C ATOM 163 O LEU A 12 4.534 15.297 3.083 1.00 0.00 O ATOM 164 CB LEU A 12 1.677 14.552 2.532 1.00 0.00 C ATOM 165 CG LEU A 12 1.387 14.660 1.035 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.021 13.297 0.464 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.272 15.662 0.780 1.00 0.00 C ATOM 0 H LEU A 12 2.376 14.020 4.912 1.00 0.00 H new ATOM 0 HA LEU A 12 2.728 12.687 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.774 14.211 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.901 15.547 2.916 1.00 0.00 H new ATOM 0 HG LEU A 12 2.288 15.013 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.818 13.392 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.849 12.605 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.134 12.917 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.079 15.726 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.633 15.338 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.570 16.641 1.154 1.00 0.00 H new ATOM 179 N VAL A 13 4.881 13.627 1.611 1.00 0.00 N ATOM 180 CA VAL A 13 6.178 14.129 1.170 1.00 0.00 C ATOM 181 C VAL A 13 6.023 15.157 0.053 1.00 0.00 C ATOM 182 O VAL A 13 5.083 15.088 -0.740 1.00 0.00 O ATOM 183 CB VAL A 13 7.078 12.981 0.671 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.474 13.492 0.348 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.138 11.864 1.701 1.00 0.00 C ATOM 0 H VAL A 13 4.585 12.767 1.150 1.00 0.00 H new ATOM 0 HA VAL A 13 6.644 14.604 2.033 1.00 0.00 H new ATOM 0 HB VAL A 13 6.644 12.579 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.092 12.665 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.412 14.253 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.920 13.924 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.778 11.062 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.545 12.252 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.135 11.476 1.876 1.00 0.00 H new ATOM 195 N ALA A 14 6.950 16.110 -0.004 1.00 0.00 N ATOM 196 CA ALA A 14 6.921 17.148 -1.028 1.00 0.00 C ATOM 197 C ALA A 14 7.165 16.551 -2.411 1.00 0.00 C ATOM 198 O ALA A 14 7.953 15.618 -2.560 1.00 0.00 O ATOM 199 CB ALA A 14 7.953 18.221 -0.722 1.00 0.00 C ATOM 0 H ALA A 14 7.731 16.184 0.648 1.00 0.00 H new ATOM 0 HA ALA A 14 5.932 17.605 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.920 18.989 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.734 18.671 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.947 17.774 -0.698 1.00 0.00 H new ATOM 205 N GLU A 15 6.489 17.096 -3.417 1.00 0.00 N ATOM 206 CA GLU A 15 6.627 16.609 -4.787 1.00 0.00 C ATOM 207 C GLU A 15 8.074 16.688 -5.270 1.00 0.00 C ATOM 208 O GLU A 15 8.512 15.870 -6.079 1.00 0.00 O ATOM 209 CB GLU A 15 5.711 17.398 -5.729 1.00 0.00 C ATOM 210 CG GLU A 15 5.761 18.907 -5.530 1.00 0.00 C ATOM 211 CD GLU A 15 7.069 19.522 -5.986 1.00 0.00 C ATOM 212 OE1 GLU A 15 7.400 19.396 -7.183 1.00 0.00 O ATOM 213 OE2 GLU A 15 7.765 20.129 -5.144 1.00 0.00 O ATOM 0 H GLU A 15 5.840 17.875 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 15 6.330 15.560 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.984 17.169 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.685 17.058 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.939 19.368 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.608 19.134 -4.475 1.00 0.00 H new ATOM 220 N ALA A 16 8.811 17.675 -4.773 1.00 0.00 N ATOM 221 CA ALA A 16 10.203 17.860 -5.164 1.00 0.00 C ATOM 222 C ALA A 16 11.108 16.781 -4.576 1.00 0.00 C ATOM 223 O ALA A 16 12.226 16.574 -5.051 1.00 0.00 O ATOM 224 CB ALA A 16 10.682 19.240 -4.743 1.00 0.00 C ATOM 0 H ALA A 16 8.468 18.359 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 16 10.258 17.774 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.723 19.370 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.070 20.001 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.597 19.340 -3.661 1.00 0.00 H new ATOM 230 N GLN A 17 10.624 16.091 -3.547 1.00 0.00 N ATOM 231 CA GLN A 17 11.405 15.038 -2.902 1.00 0.00 C ATOM 232 C GLN A 17 10.772 13.672 -3.132 1.00 0.00 C ATOM 233 O GLN A 17 11.391 12.639 -2.881 1.00 0.00 O ATOM 234 CB GLN A 17 11.527 15.312 -1.402 1.00 0.00 C ATOM 235 CG GLN A 17 12.245 16.613 -1.083 1.00 0.00 C ATOM 236 CD GLN A 17 13.685 16.612 -1.553 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.893 16.960 -2.817 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 14.599 16.288 -0.795 1.00 0.00 N flip ATOM 0 H GLN A 17 9.699 16.240 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 17 12.401 15.035 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.530 15.339 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.061 14.486 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.714 17.442 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.218 16.785 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.394 16.028 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.562 16.280 -1.131 1.00 0.00 H new ATOM 247 N ARG A 18 9.535 13.678 -3.611 1.00 0.00 N ATOM 248 CA ARG A 18 8.810 12.444 -3.883 1.00 0.00 C ATOM 249 C ARG A 18 9.488 11.649 -4.990 1.00 0.00 C ATOM 250 O ARG A 18 9.487 10.417 -4.977 1.00 0.00 O ATOM 251 CB ARG A 18 7.371 12.760 -4.284 1.00 0.00 C ATOM 252 CG ARG A 18 6.468 13.095 -3.112 1.00 0.00 C ATOM 253 CD ARG A 18 5.196 13.777 -3.579 1.00 0.00 C ATOM 254 NE ARG A 18 4.024 13.322 -2.841 1.00 0.00 N ATOM 255 CZ ARG A 18 2.785 13.377 -3.321 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.561 13.868 -4.533 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.772 12.941 -2.590 1.00 0.00 N ATOM 0 H ARG A 18 9.011 14.528 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 18 8.809 11.842 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.374 13.599 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.956 11.905 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.217 12.183 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.998 13.745 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.300 14.856 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.051 13.584 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 18 4.162 12.941 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.340 14.204 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.610 13.909 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.941 12.563 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.822 12.983 -2.958 1.00 0.00 H new ATOM 271 N LEU A 19 10.068 12.364 -5.946 1.00 0.00 N ATOM 272 CA LEU A 19 10.747 11.733 -7.069 1.00 0.00 C ATOM 273 C LEU A 19 11.953 10.922 -6.605 1.00 0.00 C ATOM 274 O LEU A 19 12.409 10.018 -7.306 1.00 0.00 O ATOM 275 CB LEU A 19 11.177 12.792 -8.090 1.00 0.00 C ATOM 276 CG LEU A 19 11.788 14.070 -7.505 1.00 0.00 C ATOM 277 CD1 LEU A 19 13.165 13.799 -6.922 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.865 15.155 -8.568 1.00 0.00 C ATOM 0 H LEU A 19 10.081 13.384 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 19 10.046 11.046 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.902 12.343 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.308 13.067 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 19 11.142 14.416 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.576 14.723 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.084 13.056 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.824 13.424 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.301 16.056 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.486 14.811 -9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.863 15.377 -8.935 1.00 0.00 H new ATOM 290 N ASP A 20 12.466 11.246 -5.423 1.00 0.00 N ATOM 291 CA ASP A 20 13.625 10.544 -4.878 1.00 0.00 C ATOM 292 C ASP A 20 13.242 9.714 -3.657 1.00 0.00 C ATOM 293 O ASP A 20 13.980 8.821 -3.251 1.00 0.00 O ATOM 294 CB ASP A 20 14.721 11.541 -4.503 1.00 0.00 C ATOM 295 CG ASP A 20 16.004 10.857 -4.076 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.691 10.283 -4.947 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.322 10.895 -2.869 1.00 0.00 O ATOM 0 H ASP A 20 12.100 11.987 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 20 14.000 9.870 -5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.925 12.190 -5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.366 12.179 -3.694 1.00 0.00 H new ATOM 302 N PHE A 21 12.081 10.009 -3.090 1.00 0.00 N ATOM 303 CA PHE A 21 11.602 9.299 -1.909 1.00 0.00 C ATOM 304 C PHE A 21 11.370 7.821 -2.215 1.00 0.00 C ATOM 305 O PHE A 21 11.743 6.951 -1.429 1.00 0.00 O ATOM 306 CB PHE A 21 10.305 9.929 -1.403 1.00 0.00 C ATOM 307 CG PHE A 21 9.976 9.567 0.017 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.327 8.379 0.310 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.317 10.415 1.057 1.00 0.00 C ATOM 310 CE1 PHE A 21 9.025 8.042 1.615 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.017 10.085 2.365 1.00 0.00 C ATOM 312 CZ PHE A 21 9.371 8.897 2.644 1.00 0.00 C ATOM 0 H PHE A 21 11.451 10.736 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 21 12.367 9.377 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.381 11.013 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.484 9.618 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.054 7.708 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.823 11.345 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.520 7.112 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.287 10.755 3.168 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.136 8.636 3.665 1.00 0.00 H new ATOM 322 N LEU A 22 10.753 7.548 -3.359 1.00 0.00 N ATOM 323 CA LEU A 22 10.462 6.176 -3.763 1.00 0.00 C ATOM 324 C LEU A 22 11.745 5.367 -3.981 1.00 0.00 C ATOM 325 O LEU A 22 11.897 4.288 -3.414 1.00 0.00 O ATOM 326 CB LEU A 22 9.604 6.163 -5.032 1.00 0.00 C ATOM 327 CG LEU A 22 8.213 5.541 -4.870 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.326 4.054 -4.570 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.432 6.251 -3.774 1.00 0.00 C ATOM 0 H LEU A 22 10.444 8.258 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 22 9.906 5.705 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.488 7.188 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.140 5.618 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 22 7.671 5.662 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.329 3.629 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.843 3.556 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.887 3.911 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.447 5.794 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.969 6.164 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.319 7.304 -4.031 1.00 0.00 H new ATOM 341 N PRO A 23 12.688 5.866 -4.804 1.00 0.00 N ATOM 342 CA PRO A 23 13.944 5.156 -5.069 1.00 0.00 C ATOM 343 C PRO A 23 14.880 5.144 -3.863 1.00 0.00 C ATOM 344 O PRO A 23 15.808 4.338 -3.793 1.00 0.00 O ATOM 345 CB PRO A 23 14.568 5.954 -6.216 1.00 0.00 C ATOM 346 CG PRO A 23 14.006 7.325 -6.071 1.00 0.00 C ATOM 347 CD PRO A 23 12.611 7.144 -5.540 1.00 0.00 C ATOM 0 HA PRO A 23 13.771 4.105 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.656 5.962 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.313 5.522 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.609 7.924 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.995 7.846 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.320 7.967 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.877 7.101 -6.345 1.00 0.00 H new ATOM 355 N THR A 24 14.628 6.039 -2.916 1.00 0.00 N ATOM 356 CA THR A 24 15.454 6.144 -1.718 1.00 0.00 C ATOM 357 C THR A 24 15.013 5.184 -0.611 1.00 0.00 C ATOM 358 O THR A 24 15.851 4.602 0.079 1.00 0.00 O ATOM 359 CB THR A 24 15.440 7.586 -1.172 1.00 0.00 C ATOM 360 OG1 THR A 24 16.291 8.417 -1.968 1.00 0.00 O ATOM 361 CG2 THR A 24 15.890 7.636 0.279 1.00 0.00 C ATOM 0 H THR A 24 13.856 6.705 -2.954 1.00 0.00 H new ATOM 0 HA THR A 24 16.465 5.868 -2.018 1.00 0.00 H new ATOM 0 HB THR A 24 14.415 7.953 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.835 9.263 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.868 8.667 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.220 7.030 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.905 7.247 0.359 1.00 0.00 H new ATOM 369 N TYR A 25 13.706 5.016 -0.441 1.00 0.00 N ATOM 370 CA TYR A 25 13.189 4.145 0.613 1.00 0.00 C ATOM 371 C TYR A 25 12.722 2.795 0.074 1.00 0.00 C ATOM 372 O TYR A 25 12.765 1.790 0.784 1.00 0.00 O ATOM 373 CB TYR A 25 12.055 4.846 1.356 1.00 0.00 C ATOM 374 CG TYR A 25 12.520 6.057 2.130 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.992 5.934 3.431 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.500 7.323 1.559 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.427 7.037 4.141 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.936 8.430 2.261 1.00 0.00 C ATOM 379 CZ TYR A 25 13.397 8.282 3.552 1.00 0.00 C ATOM 380 OH TYR A 25 13.831 9.382 4.255 1.00 0.00 O ATOM 0 H TYR A 25 12.990 5.465 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 25 14.007 3.944 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.291 5.150 0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.586 4.141 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.019 4.959 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.137 7.444 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.789 6.924 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.916 9.407 1.801 1.00 0.00 H new ATOM 0 HH TYR A 25 13.745 10.182 3.696 1.00 0.00 H new ATOM 390 N PHE A 26 12.279 2.770 -1.176 1.00 0.00 N ATOM 391 CA PHE A 26 11.819 1.534 -1.793 1.00 0.00 C ATOM 392 C PHE A 26 12.937 0.929 -2.629 1.00 0.00 C ATOM 393 O PHE A 26 13.149 -0.285 -2.621 1.00 0.00 O ATOM 394 CB PHE A 26 10.586 1.795 -2.661 1.00 0.00 C ATOM 395 CG PHE A 26 9.495 0.778 -2.484 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.776 0.715 -1.301 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.186 -0.111 -3.500 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.768 -0.216 -1.136 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.180 -1.045 -3.341 1.00 0.00 C ATOM 400 CZ PHE A 26 7.471 -1.097 -2.156 1.00 0.00 C ATOM 0 H PHE A 26 12.229 3.590 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 26 11.542 0.830 -1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.190 2.783 -2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.887 1.813 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.006 1.401 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.738 -0.074 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.213 -0.254 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.948 -1.733 -4.141 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.685 -1.827 -2.028 1.00 0.00 H new ATOM 410 N GLY A 27 13.650 1.791 -3.344 1.00 0.00 N ATOM 411 CA GLY A 27 14.752 1.345 -4.173 1.00 0.00 C ATOM 412 C GLY A 27 14.763 2.028 -5.525 1.00 0.00 C ATOM 413 O GLY A 27 13.709 2.211 -6.131 1.00 0.00 O ATOM 0 H GLY A 27 13.482 2.797 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.693 1.542 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.686 0.266 -4.313 1.00 0.00 H new ATOM 417 N PRO A 28 15.945 2.423 -6.029 1.00 0.00 N ATOM 418 CA PRO A 28 16.055 3.090 -7.328 1.00 0.00 C ATOM 419 C PRO A 28 15.502 2.223 -8.446 1.00 0.00 C ATOM 420 O PRO A 28 15.169 2.714 -9.524 1.00 0.00 O ATOM 421 CB PRO A 28 17.563 3.311 -7.506 1.00 0.00 C ATOM 422 CG PRO A 28 18.213 2.378 -6.540 1.00 0.00 C ATOM 423 CD PRO A 28 17.257 2.243 -5.389 1.00 0.00 C ATOM 0 HA PRO A 28 15.484 4.017 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.874 3.098 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.836 4.346 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.407 1.410 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.174 2.769 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.341 1.269 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.439 2.996 -4.622 1.00 0.00 H new ATOM 431 N ARG A 29 15.415 0.926 -8.179 1.00 0.00 N ATOM 432 CA ARG A 29 14.886 -0.018 -9.149 1.00 0.00 C ATOM 433 C ARG A 29 13.421 -0.329 -8.862 1.00 0.00 C ATOM 434 O ARG A 29 12.615 -0.443 -9.785 1.00 0.00 O ATOM 435 CB ARG A 29 15.710 -1.309 -9.140 1.00 0.00 C ATOM 436 CG ARG A 29 15.058 -2.461 -9.891 1.00 0.00 C ATOM 437 CD ARG A 29 14.834 -2.126 -11.358 1.00 0.00 C ATOM 438 NE ARG A 29 14.083 -3.172 -12.048 1.00 0.00 N ATOM 439 CZ ARG A 29 14.168 -3.404 -13.354 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.967 -2.666 -14.113 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.452 -4.377 -13.903 1.00 0.00 N ATOM 0 H ARG A 29 15.705 0.505 -7.296 1.00 0.00 H new ATOM 0 HA ARG A 29 14.953 0.438 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.687 -1.108 -9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.881 -1.612 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.687 -3.348 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.104 -2.705 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.296 -1.181 -11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.797 -1.986 -11.849 1.00 0.00 H new ATOM 0 HE ARG A 29 13.457 -3.758 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.519 -1.917 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.029 -2.847 -15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.836 -4.947 -13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.517 -4.555 -14.905 1.00 0.00 H new ATOM 455 N LEU A 30 13.074 -0.467 -7.582 1.00 0.00 N ATOM 456 CA LEU A 30 11.707 -0.781 -7.182 1.00 0.00 C ATOM 457 C LEU A 30 10.745 0.370 -7.443 1.00 0.00 C ATOM 458 O LEU A 30 9.561 0.145 -7.653 1.00 0.00 O ATOM 459 CB LEU A 30 11.665 -1.132 -5.690 1.00 0.00 C ATOM 460 CG LEU A 30 12.489 -2.352 -5.259 1.00 0.00 C ATOM 461 CD1 LEU A 30 12.445 -3.444 -6.320 1.00 0.00 C ATOM 462 CD2 LEU A 30 13.927 -1.945 -4.966 1.00 0.00 C ATOM 0 H LEU A 30 13.725 -0.365 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 30 11.389 -1.631 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.012 -0.267 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.626 -1.303 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 30 12.049 -2.754 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.037 -4.297 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.413 -3.758 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.853 -3.060 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.498 -2.822 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.373 -1.514 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.940 -1.207 -4.164 1.00 0.00 H new ATOM 474 N MET A 31 11.246 1.598 -7.397 1.00 0.00 N ATOM 475 CA MET A 31 10.414 2.783 -7.620 1.00 0.00 C ATOM 476 C MET A 31 9.276 2.520 -8.605 1.00 0.00 C ATOM 477 O MET A 31 8.170 3.032 -8.432 1.00 0.00 O ATOM 478 CB MET A 31 11.276 3.945 -8.110 1.00 0.00 C ATOM 479 CG MET A 31 12.300 3.534 -9.152 1.00 0.00 C ATOM 480 SD MET A 31 12.167 4.495 -10.673 1.00 0.00 S ATOM 481 CE MET A 31 13.312 3.616 -11.733 1.00 0.00 C ATOM 0 H MET A 31 12.227 1.804 -7.207 1.00 0.00 H new ATOM 0 HA MET A 31 9.959 3.042 -6.664 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.630 4.716 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.792 4.390 -7.259 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.301 3.652 -8.738 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.174 2.476 -9.383 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.026 3.759 -12.775 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.320 4.000 -11.577 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.287 2.553 -11.493 1.00 0.00 H new ATOM 491 N MET A 32 9.547 1.728 -9.633 1.00 0.00 N ATOM 492 CA MET A 32 8.531 1.399 -10.625 1.00 0.00 C ATOM 493 C MET A 32 8.032 -0.030 -10.422 1.00 0.00 C ATOM 494 O MET A 32 6.857 -0.326 -10.638 1.00 0.00 O ATOM 495 CB MET A 32 9.091 1.565 -12.039 1.00 0.00 C ATOM 496 CG MET A 32 10.202 0.585 -12.375 1.00 0.00 C ATOM 497 SD MET A 32 10.786 0.751 -14.072 1.00 0.00 S ATOM 498 CE MET A 32 11.979 -0.582 -14.152 1.00 0.00 C ATOM 0 H MET A 32 10.458 1.302 -9.802 1.00 0.00 H new ATOM 0 HA MET A 32 7.693 2.084 -10.499 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.281 1.442 -12.758 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.468 2.581 -12.154 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.037 0.740 -11.691 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.844 -0.432 -12.216 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.770 -0.321 -14.855 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.411 -0.744 -13.164 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.484 -1.494 -14.485 1.00 0.00 H new ATOM 508 N ARG A 33 8.938 -0.908 -10.002 1.00 0.00 N ATOM 509 CA ARG A 33 8.604 -2.308 -9.763 1.00 0.00 C ATOM 510 C ARG A 33 7.650 -2.460 -8.581 1.00 0.00 C ATOM 511 O ARG A 33 6.985 -3.487 -8.440 1.00 0.00 O ATOM 512 CB ARG A 33 9.877 -3.117 -9.500 1.00 0.00 C ATOM 513 CG ARG A 33 10.957 -2.934 -10.557 1.00 0.00 C ATOM 514 CD ARG A 33 10.527 -3.487 -11.907 1.00 0.00 C ATOM 515 NE ARG A 33 9.544 -2.632 -12.565 1.00 0.00 N ATOM 516 CZ ARG A 33 9.061 -2.864 -13.782 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.474 -3.918 -14.473 1.00 0.00 N ATOM 518 NH2 ARG A 33 8.166 -2.041 -14.310 1.00 0.00 N ATOM 0 H ARG A 33 9.914 -0.673 -9.819 1.00 0.00 H new ATOM 0 HA ARG A 33 8.107 -2.687 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.282 -2.832 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.617 -4.174 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.192 -1.874 -10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.870 -3.434 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.401 -3.594 -12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.107 -4.484 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 33 9.209 -1.810 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.164 -4.553 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.102 -4.094 -15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.847 -1.228 -13.783 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.797 -2.220 -15.244 1.00 0.00 H new ATOM 532 N GLY A 34 7.584 -1.436 -7.734 1.00 0.00 N ATOM 533 CA GLY A 34 6.716 -1.491 -6.572 1.00 0.00 C ATOM 534 C GLY A 34 5.501 -0.602 -6.718 1.00 0.00 C ATOM 535 O GLY A 34 4.390 -0.998 -6.364 1.00 0.00 O ATOM 0 H GLY A 34 8.115 -0.571 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.393 -2.520 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.278 -1.191 -5.687 1.00 0.00 H new ATOM 539 N GLU A 35 5.710 0.605 -7.236 1.00 0.00 N ATOM 540 CA GLU A 35 4.616 1.547 -7.433 1.00 0.00 C ATOM 541 C GLU A 35 3.525 0.909 -8.281 1.00 0.00 C ATOM 542 O GLU A 35 2.336 1.144 -8.068 1.00 0.00 O ATOM 543 CB GLU A 35 5.123 2.823 -8.105 1.00 0.00 C ATOM 544 CG GLU A 35 4.065 3.908 -8.229 1.00 0.00 C ATOM 545 CD GLU A 35 4.608 5.181 -8.848 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.303 5.936 -8.139 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.338 5.421 -10.044 1.00 0.00 O ATOM 0 H GLU A 35 6.624 0.952 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 35 4.203 1.808 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.966 3.213 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.497 2.576 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.238 3.537 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.661 4.132 -7.242 1.00 0.00 H new ATOM 554 N ALA A 36 3.945 0.098 -9.246 1.00 0.00 N ATOM 555 CA ALA A 36 3.009 -0.589 -10.126 1.00 0.00 C ATOM 556 C ALA A 36 2.386 -1.796 -9.427 1.00 0.00 C ATOM 557 O ALA A 36 1.283 -2.223 -9.764 1.00 0.00 O ATOM 558 CB ALA A 36 3.711 -1.023 -11.406 1.00 0.00 C ATOM 0 H ALA A 36 4.927 -0.099 -9.438 1.00 0.00 H new ATOM 0 HA ALA A 36 2.208 0.106 -10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.001 -1.535 -12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.105 -0.146 -11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.530 -1.699 -11.160 1.00 0.00 H new ATOM 564 N LEU A 37 3.109 -2.344 -8.455 1.00 0.00 N ATOM 565 CA LEU A 37 2.640 -3.505 -7.704 1.00 0.00 C ATOM 566 C LEU A 37 1.483 -3.152 -6.774 1.00 0.00 C ATOM 567 O LEU A 37 0.529 -3.918 -6.640 1.00 0.00 O ATOM 568 CB LEU A 37 3.790 -4.089 -6.886 1.00 0.00 C ATOM 569 CG LEU A 37 4.007 -5.594 -7.044 1.00 0.00 C ATOM 570 CD1 LEU A 37 2.791 -6.363 -6.551 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.315 -5.944 -8.491 1.00 0.00 C ATOM 0 H LEU A 37 4.026 -2.001 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 37 2.280 -4.240 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.710 -3.575 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.611 -3.873 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 37 4.864 -5.882 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.964 -7.433 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.621 -6.139 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.915 -6.069 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.466 -7.020 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.481 -5.640 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.219 -5.423 -8.807 1.00 0.00 H new ATOM 583 N VAL A 38 1.566 -1.989 -6.135 1.00 0.00 N ATOM 584 CA VAL A 38 0.528 -1.561 -5.202 1.00 0.00 C ATOM 585 C VAL A 38 -0.773 -1.246 -5.931 1.00 0.00 C ATOM 586 O VAL A 38 -1.856 -1.608 -5.472 1.00 0.00 O ATOM 587 CB VAL A 38 0.968 -0.331 -4.380 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.379 -0.528 -3.850 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.879 0.942 -5.207 1.00 0.00 C ATOM 0 H VAL A 38 2.336 -1.329 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 38 0.361 -2.393 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 38 0.288 -0.227 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.676 0.347 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.408 -1.411 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.066 -0.662 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.195 1.792 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.528 0.856 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.150 1.092 -5.534 1.00 0.00 H new ATOM 599 N TYR A 39 -0.659 -0.570 -7.069 1.00 0.00 N ATOM 600 CA TYR A 39 -1.826 -0.208 -7.861 1.00 0.00 C ATOM 601 C TYR A 39 -2.366 -1.427 -8.604 1.00 0.00 C ATOM 602 O TYR A 39 -3.534 -1.466 -8.990 1.00 0.00 O ATOM 603 CB TYR A 39 -1.470 0.918 -8.839 1.00 0.00 C ATOM 604 CG TYR A 39 -1.476 0.513 -10.297 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.362 -0.077 -10.876 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.595 0.724 -11.093 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.359 -0.447 -12.207 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.601 0.357 -12.425 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.482 -0.228 -12.977 1.00 0.00 C ATOM 610 OH TYR A 39 -1.483 -0.595 -14.303 1.00 0.00 O ATOM 0 H TYR A 39 0.230 -0.262 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.608 0.152 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.175 1.738 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.481 1.302 -8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.519 -0.250 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.474 1.182 -10.664 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.517 -0.905 -12.642 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.479 0.528 -13.031 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.350 -0.373 -14.703 1.00 0.00 H new ATOM 620 N ALA A 40 -1.503 -2.420 -8.796 1.00 0.00 N ATOM 621 CA ALA A 40 -1.888 -3.645 -9.486 1.00 0.00 C ATOM 622 C ALA A 40 -2.973 -4.382 -8.711 1.00 0.00 C ATOM 623 O ALA A 40 -3.917 -4.912 -9.296 1.00 0.00 O ATOM 624 CB ALA A 40 -0.676 -4.544 -9.685 1.00 0.00 C ATOM 0 H ALA A 40 -0.532 -2.400 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.288 -3.376 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.979 -5.455 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.071 -4.020 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.251 -4.802 -8.715 1.00 0.00 H new ATOM 630 N TRP A 41 -2.829 -4.414 -7.390 1.00 0.00 N ATOM 631 CA TRP A 41 -3.801 -5.082 -6.533 1.00 0.00 C ATOM 632 C TRP A 41 -5.069 -4.249 -6.398 1.00 0.00 C ATOM 633 O TRP A 41 -6.163 -4.790 -6.239 1.00 0.00 O ATOM 634 CB TRP A 41 -3.206 -5.339 -5.149 1.00 0.00 C ATOM 635 CG TRP A 41 -2.160 -6.413 -5.134 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.813 -6.251 -5.294 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.378 -7.815 -4.947 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.181 -7.470 -5.217 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.120 -8.445 -5.005 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.514 -8.600 -4.735 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.968 -9.821 -4.859 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.362 -9.967 -4.590 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.098 -10.565 -4.652 1.00 0.00 C ATOM 0 H TRP A 41 -2.050 -3.986 -6.891 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.056 -6.035 -6.996 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.770 -4.414 -4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.008 -5.615 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.318 -5.305 -5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.824 -7.623 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.493 -8.147 -4.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.006 -10.285 -4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.233 -10.584 -4.426 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.013 -11.635 -4.534 1.00 0.00 H new ATOM 654 N MET A 42 -4.916 -2.932 -6.466 1.00 0.00 N ATOM 655 CA MET A 42 -6.050 -2.024 -6.341 1.00 0.00 C ATOM 656 C MET A 42 -7.065 -2.241 -7.460 1.00 0.00 C ATOM 657 O MET A 42 -8.261 -2.377 -7.205 1.00 0.00 O ATOM 658 CB MET A 42 -5.563 -0.574 -6.348 1.00 0.00 C ATOM 659 CG MET A 42 -6.689 0.446 -6.319 1.00 0.00 C ATOM 660 SD MET A 42 -7.918 0.094 -5.047 1.00 0.00 S ATOM 661 CE MET A 42 -6.931 0.243 -3.561 1.00 0.00 C ATOM 0 H MET A 42 -4.018 -2.469 -6.607 1.00 0.00 H new ATOM 0 HA MET A 42 -6.546 -2.235 -5.394 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.916 -0.413 -5.486 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.956 -0.408 -7.238 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.270 1.438 -6.149 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.177 0.469 -7.293 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.914 -0.713 -3.038 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.914 0.529 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.364 1.004 -2.911 1.00 0.00 H new ATOM 671 N ARG A 43 -6.583 -2.271 -8.698 1.00 0.00 N ATOM 672 CA ARG A 43 -7.452 -2.467 -9.854 1.00 0.00 C ATOM 673 C ARG A 43 -8.119 -3.841 -9.823 1.00 0.00 C ATOM 674 O ARG A 43 -9.113 -4.071 -10.512 1.00 0.00 O ATOM 675 CB ARG A 43 -6.650 -2.306 -11.146 1.00 0.00 C ATOM 676 CG ARG A 43 -5.508 -3.301 -11.276 1.00 0.00 C ATOM 677 CD ARG A 43 -4.665 -3.031 -12.509 1.00 0.00 C ATOM 678 NE ARG A 43 -3.652 -4.064 -12.714 1.00 0.00 N ATOM 679 CZ ARG A 43 -2.791 -4.064 -13.728 1.00 0.00 C ATOM 680 NH1 ARG A 43 -2.817 -3.088 -14.625 1.00 0.00 N ATOM 681 NH2 ARG A 43 -1.904 -5.043 -13.844 1.00 0.00 N ATOM 0 H ARG A 43 -5.595 -2.162 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.236 -1.710 -9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.321 -2.421 -11.998 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.247 -1.294 -11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.879 -3.251 -10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.911 -4.313 -11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.311 -2.977 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.179 -2.060 -12.411 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.602 -4.829 -12.041 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.499 -2.334 -14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.155 -3.091 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.882 -5.796 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.244 -5.043 -14.621 1.00 0.00 H new ATOM 695 N ARG A 44 -7.569 -4.750 -9.025 1.00 0.00 N ATOM 696 CA ARG A 44 -8.117 -6.098 -8.910 1.00 0.00 C ATOM 697 C ARG A 44 -9.301 -6.125 -7.948 1.00 0.00 C ATOM 698 O ARG A 44 -10.123 -7.039 -7.982 1.00 0.00 O ATOM 699 CB ARG A 44 -7.037 -7.072 -8.433 1.00 0.00 C ATOM 700 CG ARG A 44 -5.943 -7.318 -9.460 1.00 0.00 C ATOM 701 CD ARG A 44 -4.944 -8.354 -8.969 1.00 0.00 C ATOM 702 NE ARG A 44 -5.597 -9.603 -8.586 1.00 0.00 N ATOM 703 CZ ARG A 44 -4.937 -10.706 -8.243 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.611 -10.717 -8.242 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.605 -11.799 -7.900 1.00 0.00 N ATOM 0 H ARG A 44 -6.745 -4.579 -8.449 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.465 -6.406 -9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.586 -6.683 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.504 -8.023 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.389 -7.655 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.425 -6.383 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.212 -8.552 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.397 -7.954 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.617 -9.631 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.094 -9.878 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.108 -11.564 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.625 -11.794 -7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.099 -12.645 -7.637 1.00 0.00 H new ATOM 719 N LEU A 45 -9.382 -5.109 -7.099 1.00 0.00 N ATOM 720 CA LEU A 45 -10.456 -5.010 -6.121 1.00 0.00 C ATOM 721 C LEU A 45 -11.670 -4.282 -6.693 1.00 0.00 C ATOM 722 O LEU A 45 -12.777 -4.413 -6.176 1.00 0.00 O ATOM 723 CB LEU A 45 -9.971 -4.297 -4.868 1.00 0.00 C ATOM 724 CG LEU A 45 -8.600 -4.738 -4.354 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.135 -3.831 -3.225 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.642 -6.188 -3.894 1.00 0.00 C ATOM 0 H LEU A 45 -8.714 -4.339 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.758 -6.025 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.938 -3.226 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.704 -4.450 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.885 -4.659 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.158 -4.161 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.063 -2.806 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.851 -3.876 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.657 -6.483 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.371 -6.294 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.928 -6.827 -4.730 1.00 0.00 H new ATOM 738 N CYS A 46 -11.461 -3.502 -7.748 1.00 0.00 N ATOM 739 CA CYS A 46 -12.552 -2.774 -8.390 1.00 0.00 C ATOM 740 C CYS A 46 -12.600 -3.080 -9.885 1.00 0.00 C ATOM 741 O CYS A 46 -11.565 -3.163 -10.545 1.00 0.00 O ATOM 742 CB CYS A 46 -12.395 -1.269 -8.178 1.00 0.00 C ATOM 743 SG CYS A 46 -13.699 -0.275 -8.938 1.00 0.00 S ATOM 0 H CYS A 46 -10.547 -3.357 -8.177 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.486 -3.100 -7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.374 -1.064 -7.108 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.432 -0.955 -8.581 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.478 0.984 -8.701 1.00 0.00 H new ATOM 749 N GLU A 47 -13.810 -3.244 -10.414 1.00 0.00 N ATOM 750 CA GLU A 47 -13.993 -3.538 -11.831 1.00 0.00 C ATOM 751 C GLU A 47 -13.981 -2.251 -12.643 1.00 0.00 C ATOM 752 O GLU A 47 -13.702 -2.257 -13.842 1.00 0.00 O ATOM 753 CB GLU A 47 -15.312 -4.278 -12.054 1.00 0.00 C ATOM 754 CG GLU A 47 -16.537 -3.436 -11.734 1.00 0.00 C ATOM 755 CD GLU A 47 -17.837 -4.169 -12.000 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.254 -4.231 -13.176 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.438 -4.682 -11.033 1.00 0.00 O ATOM 0 H GLU A 47 -14.678 -3.178 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.171 -4.173 -12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.366 -4.605 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.326 -5.176 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.502 -3.135 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.511 -2.523 -12.329 1.00 0.00 H new ATOM 764 N ARG A 48 -14.288 -1.149 -11.971 1.00 0.00 N ATOM 765 CA ARG A 48 -14.315 0.160 -12.605 1.00 0.00 C ATOM 766 C ARG A 48 -13.220 1.043 -12.018 1.00 0.00 C ATOM 767 O ARG A 48 -13.475 2.165 -11.582 1.00 0.00 O ATOM 768 CB ARG A 48 -15.685 0.813 -12.413 1.00 0.00 C ATOM 769 CG ARG A 48 -16.127 0.889 -10.962 1.00 0.00 C ATOM 770 CD ARG A 48 -17.489 1.549 -10.823 1.00 0.00 C ATOM 771 NE ARG A 48 -17.484 2.924 -11.314 1.00 0.00 N ATOM 772 CZ ARG A 48 -18.437 3.809 -11.037 1.00 0.00 C ATOM 773 NH1 ARG A 48 -19.466 3.465 -10.274 1.00 0.00 N ATOM 774 NH2 ARG A 48 -18.361 5.040 -11.523 1.00 0.00 N ATOM 0 H ARG A 48 -14.523 -1.138 -10.979 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.136 0.040 -13.673 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.659 1.820 -12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.428 0.253 -12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.165 -0.115 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.391 1.449 -10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.230 0.970 -11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.791 1.539 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.706 3.222 -11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.528 2.519 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.195 4.146 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.571 5.309 -12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.092 5.718 -11.310 1.00 0.00 H new ATOM 788 N TYR A 49 -11.996 0.525 -12.023 1.00 0.00 N ATOM 789 CA TYR A 49 -10.855 1.251 -11.483 1.00 0.00 C ATOM 790 C TYR A 49 -9.832 1.550 -12.574 1.00 0.00 C ATOM 791 O TYR A 49 -9.071 0.672 -12.982 1.00 0.00 O ATOM 792 CB TYR A 49 -10.195 0.440 -10.371 1.00 0.00 C ATOM 793 CG TYR A 49 -9.665 1.290 -9.244 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.521 2.059 -9.402 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.317 1.323 -8.022 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.042 2.841 -8.367 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.849 2.099 -6.985 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.711 2.859 -7.160 1.00 0.00 C ATOM 799 OH TYR A 49 -8.240 3.637 -6.128 1.00 0.00 O ATOM 0 H TYR A 49 -11.770 -0.397 -12.396 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.217 2.196 -11.078 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.918 -0.271 -9.971 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.376 -0.142 -10.793 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.997 2.047 -10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.208 0.730 -7.880 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.150 3.434 -8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.370 2.113 -6.039 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.826 3.537 -5.349 1.00 0.00 H new ATOM 809 N ASN A 50 -9.824 2.791 -13.042 1.00 0.00 N ATOM 810 CA ASN A 50 -8.891 3.209 -14.083 1.00 0.00 C ATOM 811 C ASN A 50 -7.534 3.579 -13.489 1.00 0.00 C ATOM 812 O ASN A 50 -6.537 2.896 -13.723 1.00 0.00 O ATOM 813 CB ASN A 50 -9.461 4.392 -14.868 1.00 0.00 C ATOM 814 CG ASN A 50 -10.628 3.992 -15.749 1.00 0.00 C ATOM 815 OD1 ASN A 50 -10.445 3.620 -16.908 1.00 0.00 O ATOM 816 ND2 ASN A 50 -11.835 4.067 -15.202 1.00 0.00 N ATOM 0 H ASN A 50 -10.452 3.526 -12.718 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.749 2.369 -14.762 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.784 5.165 -14.171 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.675 4.827 -15.486 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.659 3.811 -15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.939 4.381 -14.237 1.00 0.00 H new ATOM 823 N GLY A 51 -7.500 4.663 -12.716 1.00 0.00 N ATOM 824 CA GLY A 51 -6.257 5.099 -12.104 1.00 0.00 C ATOM 825 C GLY A 51 -6.473 6.118 -11.002 1.00 0.00 C ATOM 826 O GLY A 51 -7.601 6.549 -10.758 1.00 0.00 O ATOM 0 H GLY A 51 -8.310 5.245 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.735 4.234 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.611 5.529 -12.870 1.00 0.00 H new ATOM 830 N ALA A 52 -5.388 6.507 -10.335 1.00 0.00 N ATOM 831 CA ALA A 52 -5.464 7.482 -9.251 1.00 0.00 C ATOM 832 C ALA A 52 -4.082 7.997 -8.860 1.00 0.00 C ATOM 833 O ALA A 52 -3.062 7.439 -9.264 1.00 0.00 O ATOM 834 CB ALA A 52 -6.154 6.868 -8.044 1.00 0.00 C ATOM 0 H ALA A 52 -4.447 6.162 -10.526 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.047 8.331 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.206 7.603 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.163 6.560 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.589 6.000 -7.705 1.00 0.00 H new ATOM 840 N TYR A 53 -4.058 9.070 -8.070 1.00 0.00 N ATOM 841 CA TYR A 53 -2.804 9.662 -7.613 1.00 0.00 C ATOM 842 C TYR A 53 -2.394 9.097 -6.258 1.00 0.00 C ATOM 843 O TYR A 53 -2.865 9.549 -5.215 1.00 0.00 O ATOM 844 CB TYR A 53 -2.931 11.182 -7.526 1.00 0.00 C ATOM 845 CG TYR A 53 -2.593 11.896 -8.814 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.305 11.857 -9.331 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.558 12.612 -9.510 1.00 0.00 C ATOM 848 CE1 TYR A 53 -0.986 12.511 -10.506 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.249 13.269 -10.686 1.00 0.00 C ATOM 850 CZ TYR A 53 -1.963 13.215 -11.180 1.00 0.00 C ATOM 851 OH TYR A 53 -1.650 13.869 -12.350 1.00 0.00 O ATOM 0 H TYR A 53 -4.895 9.547 -7.734 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.031 9.411 -8.340 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.951 11.436 -7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.275 11.548 -6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.539 11.306 -8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.566 12.656 -9.126 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.021 12.471 -10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.011 13.822 -11.215 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.450 14.315 -12.699 1.00 0.00 H new ATOM 861 N TRP A 54 -1.520 8.099 -6.286 1.00 0.00 N ATOM 862 CA TRP A 54 -1.042 7.455 -5.065 1.00 0.00 C ATOM 863 C TRP A 54 -0.024 8.322 -4.329 1.00 0.00 C ATOM 864 O TRP A 54 1.185 8.164 -4.495 1.00 0.00 O ATOM 865 CB TRP A 54 -0.432 6.093 -5.400 1.00 0.00 C ATOM 866 CG TRP A 54 -1.416 5.156 -6.027 1.00 0.00 C ATOM 867 CD1 TRP A 54 -1.914 5.219 -7.297 1.00 0.00 C ATOM 868 CD2 TRP A 54 -2.027 4.017 -5.412 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.801 4.193 -7.506 1.00 0.00 N ATOM 870 CE2 TRP A 54 -2.886 3.439 -6.366 1.00 0.00 C ATOM 871 CE3 TRP A 54 -1.932 3.431 -4.146 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -3.643 2.304 -6.093 1.00 0.00 C ATOM 873 CZ3 TRP A 54 -2.684 2.303 -3.878 1.00 0.00 C ATOM 874 CH2 TRP A 54 -3.530 1.750 -4.848 1.00 0.00 C ATOM 0 H TRP A 54 -1.125 7.715 -7.144 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.897 7.318 -4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.411 6.234 -6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.038 5.643 -4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.649 5.967 -8.030 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.314 4.020 -8.370 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.283 3.852 -3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.297 1.876 -6.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.618 1.840 -2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.105 0.868 -4.608 1.00 0.00 H new ATOM 885 N HIS A 55 -0.534 9.247 -3.522 1.00 0.00 N ATOM 886 CA HIS A 55 0.310 10.142 -2.741 1.00 0.00 C ATOM 887 C HIS A 55 1.284 9.352 -1.876 1.00 0.00 C ATOM 888 O HIS A 55 0.886 8.446 -1.144 1.00 0.00 O ATOM 889 CB HIS A 55 -0.548 11.046 -1.853 1.00 0.00 C ATOM 890 CG HIS A 55 -1.512 11.898 -2.618 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.210 13.169 -3.059 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.782 11.655 -3.018 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.252 13.672 -3.696 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.219 12.773 -3.686 1.00 0.00 N ATOM 0 H HIS A 55 -1.535 9.396 -3.392 1.00 0.00 H new ATOM 0 HA HIS A 55 0.879 10.758 -3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.103 10.427 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.106 11.690 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.347 10.751 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.304 14.652 -4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.141 12.890 -4.106 1.00 0.00 H new ATOM 903 N TYR A 56 2.561 9.699 -1.968 1.00 0.00 N ATOM 904 CA TYR A 56 3.592 9.022 -1.190 1.00 0.00 C ATOM 905 C TYR A 56 3.496 9.414 0.281 1.00 0.00 C ATOM 906 O TYR A 56 3.413 10.596 0.614 1.00 0.00 O ATOM 907 CB TYR A 56 4.988 9.358 -1.729 1.00 0.00 C ATOM 908 CG TYR A 56 5.174 9.091 -3.211 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.288 8.287 -3.923 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.245 9.651 -3.900 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.464 8.052 -5.273 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.424 9.421 -5.251 1.00 0.00 C ATOM 913 CZ TYR A 56 5.532 8.622 -5.932 1.00 0.00 C ATOM 914 OH TYR A 56 5.710 8.392 -7.277 1.00 0.00 O ATOM 0 H TYR A 56 2.908 10.444 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 56 3.432 7.948 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.195 10.410 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.726 8.780 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.449 7.839 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.949 10.276 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.768 7.424 -5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.260 9.866 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 56 5.563 7.442 -7.469 1.00 0.00 H new ATOM 924 N TYR A 57 3.507 8.415 1.157 1.00 0.00 N ATOM 925 CA TYR A 57 3.421 8.660 2.593 1.00 0.00 C ATOM 926 C TYR A 57 4.664 8.153 3.319 1.00 0.00 C ATOM 927 O TYR A 57 5.200 7.094 2.995 1.00 0.00 O ATOM 928 CB TYR A 57 2.171 8.001 3.177 1.00 0.00 C ATOM 929 CG TYR A 57 0.909 8.806 2.966 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.590 9.863 3.809 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.036 8.511 1.925 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.561 10.604 3.623 1.00 0.00 C ATOM 933 CE2 TYR A 57 -1.118 9.248 1.732 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.412 10.292 2.583 1.00 0.00 C ATOM 935 OH TYR A 57 -2.559 11.027 2.395 1.00 0.00 O ATOM 0 H TYR A 57 3.574 7.430 0.899 1.00 0.00 H new ATOM 0 HA TYR A 57 3.356 9.738 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.044 7.017 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.318 7.845 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.254 10.110 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.263 7.693 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.793 11.423 4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.786 9.007 0.918 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.047 10.679 1.619 1.00 0.00 H new ATOM 945 N ALA A 58 5.112 8.924 4.306 1.00 0.00 N ATOM 946 CA ALA A 58 6.287 8.570 5.091 1.00 0.00 C ATOM 947 C ALA A 58 5.899 8.204 6.518 1.00 0.00 C ATOM 948 O ALA A 58 5.572 9.073 7.326 1.00 0.00 O ATOM 949 CB ALA A 58 7.282 9.719 5.094 1.00 0.00 C ATOM 0 H ALA A 58 4.674 9.803 4.581 1.00 0.00 H new ATOM 0 HA ALA A 58 6.754 7.699 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.156 9.442 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.589 9.937 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.816 10.603 5.529 1.00 0.00 H new ATOM 955 N LEU A 59 5.935 6.912 6.820 1.00 0.00 N ATOM 956 CA LEU A 59 5.588 6.429 8.150 1.00 0.00 C ATOM 957 C LEU A 59 6.782 6.526 9.093 1.00 0.00 C ATOM 958 O LEU A 59 7.931 6.388 8.673 1.00 0.00 O ATOM 959 CB LEU A 59 5.091 4.987 8.063 1.00 0.00 C ATOM 960 CG LEU A 59 3.639 4.835 7.607 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.423 3.471 6.973 1.00 0.00 C ATOM 962 CD2 LEU A 59 2.688 5.040 8.777 1.00 0.00 C ATOM 0 H LEU A 59 6.201 6.180 6.161 1.00 0.00 H new ATOM 0 HA LEU A 59 4.792 7.056 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.733 4.437 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.200 4.520 9.042 1.00 0.00 H new ATOM 0 HG LEU A 59 3.429 5.599 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.385 3.378 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.079 3.363 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.650 2.692 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.660 4.928 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.896 4.299 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.827 6.040 9.188 1.00 0.00 H new ATOM 974 N SER A 60 6.502 6.767 10.370 1.00 0.00 N ATOM 975 CA SER A 60 7.552 6.893 11.375 1.00 0.00 C ATOM 976 C SER A 60 8.055 5.526 11.827 1.00 0.00 C ATOM 977 O SER A 60 8.954 5.432 12.664 1.00 0.00 O ATOM 978 CB SER A 60 7.037 7.681 12.581 1.00 0.00 C ATOM 979 OG SER A 60 6.641 8.989 12.204 1.00 0.00 O ATOM 0 H SER A 60 5.556 6.879 10.734 1.00 0.00 H new ATOM 0 HA SER A 60 8.385 7.429 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.193 7.157 13.028 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.816 7.738 13.341 1.00 0.00 H new ATOM 0 HG SER A 60 6.314 9.472 12.992 1.00 0.00 H new ATOM 985 N ASP A 61 7.473 4.468 11.273 1.00 0.00 N ATOM 986 CA ASP A 61 7.868 3.110 11.629 1.00 0.00 C ATOM 987 C ASP A 61 8.823 2.532 10.588 1.00 0.00 C ATOM 988 O ASP A 61 9.405 1.467 10.790 1.00 0.00 O ATOM 989 CB ASP A 61 6.634 2.216 11.765 1.00 0.00 C ATOM 990 CG ASP A 61 6.942 0.898 12.450 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.037 0.776 13.039 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.087 -0.010 12.398 1.00 0.00 O ATOM 0 H ASP A 61 6.729 4.524 10.578 1.00 0.00 H new ATOM 0 HA ASP A 61 8.385 3.147 12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.867 2.745 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.221 2.019 10.775 1.00 0.00 H new ATOM 997 N GLY A 62 8.978 3.243 9.475 1.00 0.00 N ATOM 998 CA GLY A 62 9.868 2.789 8.422 1.00 0.00 C ATOM 999 C GLY A 62 9.158 1.950 7.378 1.00 0.00 C ATOM 1000 O GLY A 62 9.801 1.309 6.546 1.00 0.00 O ATOM 0 H GLY A 62 8.503 4.125 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.324 3.653 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.677 2.206 8.862 1.00 0.00 H new ATOM 1004 N GLY A 63 7.829 1.953 7.419 1.00 0.00 N ATOM 1005 CA GLY A 63 7.057 1.181 6.463 1.00 0.00 C ATOM 1006 C GLY A 63 6.911 1.890 5.133 1.00 0.00 C ATOM 1007 O GLY A 63 7.259 1.339 4.088 1.00 0.00 O ATOM 0 H GLY A 63 7.274 2.476 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.538 0.216 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.068 0.981 6.876 1.00 0.00 H new ATOM 1011 N PHE A 64 6.396 3.116 5.178 1.00 0.00 N ATOM 1012 CA PHE A 64 6.197 3.920 3.977 1.00 0.00 C ATOM 1013 C PHE A 64 5.174 3.268 3.053 1.00 0.00 C ATOM 1014 O PHE A 64 5.361 2.139 2.601 1.00 0.00 O ATOM 1015 CB PHE A 64 7.526 4.121 3.246 1.00 0.00 C ATOM 1016 CG PHE A 64 8.606 4.681 4.129 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.603 6.020 4.484 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.618 3.866 4.610 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.590 6.537 5.301 1.00 0.00 C ATOM 1020 CE2 PHE A 64 10.608 4.377 5.428 1.00 0.00 C ATOM 1021 CZ PHE A 64 10.594 5.714 5.773 1.00 0.00 C ATOM 0 H PHE A 64 6.107 3.577 6.041 1.00 0.00 H new ATOM 0 HA PHE A 64 5.813 4.895 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.857 3.166 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.371 4.792 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.820 6.667 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.633 2.820 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.577 7.583 5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.391 3.732 5.797 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.367 6.116 6.411 1.00 0.00 H new ATOM 1031 N TYR A 65 4.092 3.988 2.772 1.00 0.00 N ATOM 1032 CA TYR A 65 3.040 3.464 1.909 1.00 0.00 C ATOM 1033 C TYR A 65 2.469 4.545 0.992 1.00 0.00 C ATOM 1034 O TYR A 65 2.728 5.733 1.176 1.00 0.00 O ATOM 1035 CB TYR A 65 1.921 2.851 2.760 1.00 0.00 C ATOM 1036 CG TYR A 65 0.813 3.818 3.125 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.974 4.743 4.151 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.395 3.803 2.439 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.039 5.622 4.482 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.411 4.680 2.763 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.229 5.588 3.785 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.239 6.462 4.112 1.00 0.00 O ATOM 0 H TYR A 65 3.922 4.929 3.127 1.00 0.00 H new ATOM 0 HA TYR A 65 3.481 2.693 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.489 2.009 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.355 2.452 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.905 4.775 4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.542 3.093 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.100 6.333 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.344 4.655 2.219 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.008 6.307 3.525 1.00 0.00 H new ATOM 1052 N MET A 66 1.692 4.111 0.002 1.00 0.00 N ATOM 1053 CA MET A 66 1.065 5.023 -0.951 1.00 0.00 C ATOM 1054 C MET A 66 -0.447 4.833 -0.950 1.00 0.00 C ATOM 1055 O MET A 66 -0.942 3.722 -0.758 1.00 0.00 O ATOM 1056 CB MET A 66 1.615 4.787 -2.360 1.00 0.00 C ATOM 1057 CG MET A 66 3.132 4.832 -2.440 1.00 0.00 C ATOM 1058 SD MET A 66 3.738 4.911 -4.139 1.00 0.00 S ATOM 1059 CE MET A 66 2.875 3.528 -4.877 1.00 0.00 C ATOM 0 H MET A 66 1.481 3.127 -0.161 1.00 0.00 H new ATOM 0 HA MET A 66 1.295 6.045 -0.649 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.270 3.817 -2.717 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.202 5.539 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.495 5.699 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.544 3.948 -1.952 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.252 3.360 -5.886 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.038 2.634 -4.275 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.808 3.746 -4.921 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.177 5.921 -1.163 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.634 5.869 -1.184 1.00 0.00 C ATOM 1071 C ALA A 67 -3.203 6.706 -2.328 1.00 0.00 C ATOM 1072 O ALA A 67 -2.743 7.820 -2.576 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.197 6.342 0.148 1.00 0.00 C ATOM 0 H ALA A 67 -0.785 6.849 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.931 4.833 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.286 6.298 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.829 5.699 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.880 7.368 0.333 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.218 6.179 -3.038 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.848 6.884 -4.158 1.00 0.00 C ATOM 1081 C PRO A 68 -5.547 8.161 -3.709 1.00 0.00 C ATOM 1082 O PRO A 68 -5.819 8.345 -2.522 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.863 5.875 -4.702 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.120 4.941 -3.572 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.834 4.862 -2.801 1.00 0.00 C ATOM 0 HA PRO A 68 -4.117 7.203 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.780 6.370 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.468 5.346 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.931 5.305 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.417 3.958 -3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.011 4.685 -1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.200 4.051 -3.158 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.829 9.044 -4.660 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.487 10.308 -4.357 1.00 0.00 C ATOM 1095 C ASP A 69 -7.953 10.309 -4.796 1.00 0.00 C ATOM 1096 O ASP A 69 -8.280 10.790 -5.880 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.740 11.452 -5.045 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.337 12.809 -4.728 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.353 13.189 -3.538 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -6.786 13.495 -5.671 1.00 0.00 O ATOM 0 H ASP A 69 -5.612 8.907 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.466 10.444 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.695 11.437 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.755 11.295 -6.124 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.831 9.764 -3.950 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.261 9.721 -4.255 1.00 0.00 C ATOM 1107 C LEU A 70 -11.084 10.085 -3.024 1.00 0.00 C ATOM 1108 O LEU A 70 -11.103 9.349 -2.038 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.689 8.333 -4.753 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.124 7.895 -6.109 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.297 8.992 -7.150 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.664 7.495 -5.980 1.00 0.00 C ATOM 0 H LEU A 70 -8.577 9.349 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.443 10.448 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.396 7.596 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.777 8.311 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.686 7.023 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.888 8.657 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.357 9.217 -7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.770 9.889 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.283 7.188 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.085 8.344 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.574 6.666 -5.278 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.764 11.225 -3.087 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.592 11.681 -1.978 1.00 0.00 C ATOM 1126 C ALA A 71 -14.000 11.099 -2.073 1.00 0.00 C ATOM 1127 O ALA A 71 -14.737 11.387 -3.016 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.651 13.203 -1.954 1.00 0.00 C ATOM 0 H ALA A 71 -11.758 11.849 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.140 11.331 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.273 13.530 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.645 13.604 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -13.078 13.565 -2.889 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.368 10.277 -1.093 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.687 9.670 -1.092 1.00 0.00 C ATOM 1136 C GLY A 72 -15.651 8.190 -0.759 1.00 0.00 C ATOM 1137 O GLY A 72 -14.747 7.723 -0.066 1.00 0.00 O ATOM 0 H GLY A 72 -13.777 10.021 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.319 10.186 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.146 9.807 -2.071 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.642 7.453 -1.255 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.733 6.020 -1.013 1.00 0.00 C ATOM 1143 C ARG A 73 -16.486 5.246 -2.300 1.00 0.00 C ATOM 1144 O ARG A 73 -17.236 5.373 -3.269 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.110 5.653 -0.448 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.365 6.179 0.955 1.00 0.00 C ATOM 1147 CD ARG A 73 -18.572 7.686 0.965 1.00 0.00 C ATOM 1148 NE ARG A 73 -18.918 8.182 2.294 1.00 0.00 N ATOM 1149 CZ ARG A 73 -19.058 9.471 2.586 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -18.876 10.390 1.647 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -19.380 9.842 3.816 1.00 0.00 N ATOM 0 H ARG A 73 -17.396 7.830 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.969 5.752 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.880 6.041 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.211 4.568 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.244 5.689 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.522 5.924 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.663 8.179 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.364 7.948 0.263 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.060 7.501 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.628 10.108 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.984 11.379 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.521 9.138 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.487 10.832 4.039 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.432 4.447 -2.303 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.080 3.648 -3.471 1.00 0.00 C ATOM 1167 C LEU A 74 -15.482 2.191 -3.280 1.00 0.00 C ATOM 1168 O LEU A 74 -14.970 1.510 -2.391 1.00 0.00 O ATOM 1169 CB LEU A 74 -13.578 3.733 -3.748 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.059 5.119 -4.131 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.571 5.057 -4.438 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.830 5.672 -5.321 1.00 0.00 C ATOM 0 H LEU A 74 -14.802 4.332 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.625 4.052 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.042 3.396 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.334 3.038 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.212 5.791 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.214 6.050 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.032 4.705 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.399 4.371 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.445 6.659 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.711 5.004 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.887 5.750 -5.065 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.400 1.719 -4.116 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.856 0.344 -4.044 1.00 0.00 C ATOM 1186 C GLU A 75 -15.720 -0.602 -4.413 1.00 0.00 C ATOM 1187 O GLU A 75 -15.550 -0.965 -5.578 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.047 0.138 -4.977 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.604 -1.268 -4.940 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.845 -1.430 -5.797 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.959 -1.209 -5.276 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.703 -1.777 -6.988 1.00 0.00 O ATOM 0 H GLU A 75 -16.841 2.272 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.172 0.127 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.836 0.840 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -17.745 0.374 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.839 -1.966 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.842 -1.533 -3.910 1.00 0.00 H new ATOM 1199 N ILE A 76 -14.940 -0.990 -3.411 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.806 -1.877 -3.622 1.00 0.00 C ATOM 1201 C ILE A 76 -14.064 -3.264 -3.043 1.00 0.00 C ATOM 1202 O ILE A 76 -14.072 -3.452 -1.825 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.521 -1.279 -2.999 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -11.854 -0.314 -3.987 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.553 -2.378 -2.580 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.081 -1.003 -5.090 1.00 0.00 C ATOM 0 H ILE A 76 -15.074 -0.702 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.668 -1.977 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.800 -0.724 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.620 0.319 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.178 0.342 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.659 -1.930 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.031 -3.022 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.275 -2.970 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.639 -0.254 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.291 -1.614 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.755 -1.638 -5.665 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.297 -4.231 -3.925 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.529 -5.604 -3.499 1.00 0.00 C ATOM 1220 C GLU A 77 -13.193 -6.298 -3.262 1.00 0.00 C ATOM 1221 O GLU A 77 -12.374 -6.426 -4.170 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.366 -6.371 -4.530 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.756 -6.417 -5.919 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.616 -7.179 -6.909 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -16.622 -6.611 -7.383 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.282 -8.345 -7.211 1.00 0.00 O ATOM 0 H GLU A 77 -14.330 -4.089 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.094 -5.589 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.512 -7.391 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.353 -5.912 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.607 -5.399 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.772 -6.883 -5.864 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.984 -6.741 -2.031 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.748 -7.389 -1.651 1.00 0.00 C ATOM 1235 C VAL A 78 -11.764 -8.864 -2.020 1.00 0.00 C ATOM 1236 O VAL A 78 -12.239 -9.692 -1.242 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.522 -7.248 -0.138 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.170 -7.797 0.253 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.655 -5.794 0.291 1.00 0.00 C ATOM 0 H VAL A 78 -13.665 -6.660 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.937 -6.903 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.288 -7.828 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.030 -7.687 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.115 -8.852 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.389 -7.248 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.491 -5.715 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.914 -5.191 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.655 -5.433 0.049 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.255 -9.205 -3.204 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.223 -10.598 -3.632 1.00 0.00 C ATOM 1251 C ASN A 79 -10.093 -11.360 -2.945 1.00 0.00 C ATOM 1252 O ASN A 79 -9.650 -12.401 -3.430 1.00 0.00 O ATOM 1253 CB ASN A 79 -11.071 -10.694 -5.153 1.00 0.00 C ATOM 1254 CG ASN A 79 -10.095 -9.679 -5.724 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -9.191 -9.176 -4.890 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -10.161 -9.345 -6.906 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.864 -8.543 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.170 -11.054 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.736 -11.698 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.046 -10.552 -5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.870 -9.755 -7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.506 -8.658 -7.279 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.637 -10.838 -1.810 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.577 -11.490 -1.067 1.00 0.00 C ATOM 1265 C GLY A 80 -9.142 -12.369 0.026 1.00 0.00 C ATOM 1266 O GLY A 80 -8.470 -13.269 0.530 1.00 0.00 O ATOM 0 H GLY A 80 -9.984 -9.974 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.970 -12.091 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.919 -10.739 -0.630 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.393 -12.097 0.388 1.00 0.00 N ATOM 1271 CA ASN A 81 -11.084 -12.858 1.414 1.00 0.00 C ATOM 1272 C ASN A 81 -12.598 -12.758 1.235 1.00 0.00 C ATOM 1273 O ASN A 81 -13.363 -13.149 2.117 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.685 -12.365 2.803 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.157 -10.953 3.075 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.256 -10.744 3.585 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.325 -9.977 2.739 1.00 0.00 N ATOM 0 H ASN A 81 -10.950 -11.347 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.793 -13.904 1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.101 -13.035 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.600 -12.407 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.587 -9.005 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.423 -10.198 2.318 1.00 0.00 H new ATOM 1284 N GLY A 82 -13.028 -12.236 0.083 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.448 -12.111 -0.197 1.00 0.00 C ATOM 1286 C GLY A 82 -15.128 -11.002 0.582 1.00 0.00 C ATOM 1287 O GLY A 82 -16.351 -11.011 0.728 1.00 0.00 O ATOM 0 H GLY A 82 -12.415 -11.898 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.584 -11.930 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.939 -13.057 0.031 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.355 -10.044 1.085 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.930 -8.942 1.847 1.00 0.00 C ATOM 1293 C PHE A 83 -15.268 -7.757 0.952 1.00 0.00 C ATOM 1294 O PHE A 83 -14.408 -6.933 0.644 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.974 -8.493 2.952 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.449 -7.278 3.698 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.611 -7.321 4.453 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.737 -6.090 3.640 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.053 -6.204 5.136 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.174 -4.970 4.319 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.334 -5.027 5.069 1.00 0.00 C ATOM 0 H PHE A 83 -13.341 -10.008 0.980 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.854 -9.308 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.837 -9.312 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.998 -8.282 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.178 -8.239 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.829 -6.040 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.959 -6.251 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.610 -4.050 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.677 -4.152 5.602 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.524 -7.680 0.533 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.973 -6.575 -0.299 1.00 0.00 C ATOM 1313 C ARG A 84 -17.269 -5.375 0.589 1.00 0.00 C ATOM 1314 O ARG A 84 -18.224 -5.390 1.366 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.220 -6.965 -1.097 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.755 -5.842 -1.973 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.005 -6.267 -2.726 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.570 -5.170 -3.509 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.721 -5.252 -4.170 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.425 -6.376 -4.147 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.168 -4.209 -4.857 1.00 0.00 N ATOM 0 H ARG A 84 -17.246 -8.366 0.755 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.187 -6.321 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.986 -7.825 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.001 -7.279 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.980 -4.973 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.987 -5.537 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -19.765 -7.099 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.750 -6.628 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.052 -4.292 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.084 -7.181 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.307 -6.436 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -21.629 -3.343 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.051 -4.273 -5.364 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.451 -4.336 0.473 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.652 -3.162 1.302 1.00 0.00 C ATOM 1337 C GLY A 85 -16.186 -1.875 0.656 1.00 0.00 C ATOM 1338 O GLY A 85 -15.050 -1.778 0.193 1.00 0.00 O ATOM 0 H GLY A 85 -15.662 -4.284 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.712 -3.075 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.121 -3.298 2.244 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.073 -0.883 0.626 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.747 0.416 0.053 1.00 0.00 C ATOM 1344 C GLU A 86 -15.810 1.168 0.990 1.00 0.00 C ATOM 1345 O GLU A 86 -16.180 1.501 2.116 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.019 1.233 -0.181 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.041 0.533 -1.062 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.294 1.359 -1.272 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.200 1.294 -0.415 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.371 2.073 -2.295 1.00 0.00 O ATOM 0 H GLU A 86 -18.022 -0.956 0.992 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.253 0.264 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.477 1.460 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.750 2.185 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.590 0.312 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.311 -0.422 -0.610 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.596 1.433 0.524 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.607 2.129 1.338 1.00 0.00 C ATOM 1359 C LEU A 87 -13.040 3.338 0.612 1.00 0.00 C ATOM 1360 O LEU A 87 -13.003 3.378 -0.619 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.473 1.174 1.721 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.408 0.800 3.204 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -13.698 0.125 3.645 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.214 -0.103 3.471 1.00 0.00 C ATOM 0 H LEU A 87 -14.273 1.178 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.107 2.480 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.577 0.260 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.524 1.629 1.436 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.287 1.715 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.631 -0.133 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.536 0.805 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.853 -0.781 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.182 -0.360 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.307 -1.014 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.296 0.416 3.196 1.00 0.00 H new ATOM 1376 N SER A 88 -12.596 4.324 1.384 1.00 0.00 N ATOM 1377 CA SER A 88 -12.020 5.534 0.817 1.00 0.00 C ATOM 1378 C SER A 88 -10.627 5.249 0.268 1.00 0.00 C ATOM 1379 O SER A 88 -10.011 4.240 0.613 1.00 0.00 O ATOM 1380 CB SER A 88 -11.952 6.638 1.875 1.00 0.00 C ATOM 1381 OG SER A 88 -11.186 6.227 2.994 1.00 0.00 O ATOM 0 H SER A 88 -12.625 4.307 2.403 1.00 0.00 H new ATOM 0 HA SER A 88 -12.658 5.871 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.513 7.536 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.960 6.900 2.197 1.00 0.00 H new ATOM 0 HG SER A 88 -11.157 6.951 3.654 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.135 6.138 -0.587 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.815 5.973 -1.181 1.00 0.00 C ATOM 1389 C ALA A 89 -7.736 5.870 -0.112 1.00 0.00 C ATOM 1390 O ALA A 89 -6.615 5.442 -0.387 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.513 7.124 -2.125 1.00 0.00 C ATOM 0 H ALA A 89 -10.630 6.979 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.817 5.042 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.523 6.987 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.259 7.149 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.539 8.064 -1.573 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.078 6.264 1.109 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.138 6.211 2.218 1.00 0.00 C ATOM 1399 C ASP A 90 -7.097 4.814 2.833 1.00 0.00 C ATOM 1400 O ASP A 90 -6.040 4.188 2.901 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.518 7.240 3.285 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.569 7.228 4.467 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.553 7.952 4.421 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.841 6.491 5.439 1.00 0.00 O ATOM 0 H ASP A 90 -9.000 6.624 1.354 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.146 6.447 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.526 8.235 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.531 7.039 3.634 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.256 4.333 3.279 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.353 3.012 3.895 1.00 0.00 C ATOM 1411 C ALA A 91 -8.186 1.895 2.871 1.00 0.00 C ATOM 1412 O ALA A 91 -8.091 0.722 3.233 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.682 2.862 4.620 1.00 0.00 C ATOM 0 H ALA A 91 -9.140 4.838 3.225 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.539 2.927 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.739 1.873 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.761 3.623 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.500 2.983 3.910 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.152 2.258 1.594 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.001 1.278 0.527 1.00 0.00 C ATOM 1421 C ALA A 92 -6.572 1.267 0.001 1.00 0.00 C ATOM 1422 O ALA A 92 -6.066 0.231 -0.433 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.978 1.570 -0.602 1.00 0.00 C ATOM 0 H ALA A 92 -8.227 3.223 1.273 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.222 0.292 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.853 0.829 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.998 1.526 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.784 2.565 -1.003 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.924 2.427 0.044 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.557 2.530 -0.424 1.00 0.00 C ATOM 1431 C GLY A 93 -3.601 1.714 0.418 1.00 0.00 C ATOM 1432 O GLY A 93 -2.459 1.480 0.025 1.00 0.00 O ATOM 0 H GLY A 93 -6.323 3.297 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.503 2.195 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.248 3.575 -0.411 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.074 1.277 1.581 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.257 0.475 2.487 1.00 0.00 C ATOM 1438 C ILE A 94 -3.233 -0.983 2.050 1.00 0.00 C ATOM 1439 O ILE A 94 -2.168 -1.567 1.854 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.779 0.550 3.932 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -3.938 2.006 4.366 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.839 -0.188 4.874 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -5.234 2.271 5.092 1.00 0.00 C ATOM 0 H ILE A 94 -5.018 1.464 1.919 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.248 0.886 2.451 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.756 0.069 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.104 2.279 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.883 2.649 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.222 -0.126 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.771 -1.234 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.849 0.267 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.285 3.323 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.073 2.029 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.282 1.653 5.989 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.418 -1.566 1.903 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.546 -2.955 1.486 1.00 0.00 C ATOM 1457 C VAL A 95 -3.959 -3.160 0.094 1.00 0.00 C ATOM 1458 O VAL A 95 -3.565 -4.267 -0.271 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.024 -3.395 1.484 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.156 -4.853 1.076 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.651 -3.158 2.849 1.00 0.00 C ATOM 0 H VAL A 95 -5.307 -1.094 2.068 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.993 -3.564 2.201 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.559 -2.792 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.208 -5.139 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.749 -4.989 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.606 -5.479 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.694 -3.474 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.111 -3.733 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.598 -2.097 3.095 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.893 -2.080 -0.676 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.360 -2.140 -2.033 1.00 0.00 C ATOM 1473 C ALA A 96 -1.838 -2.238 -2.031 1.00 0.00 C ATOM 1474 O ALA A 96 -1.260 -3.064 -2.736 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.808 -0.925 -2.826 1.00 0.00 C ATOM 0 H ALA A 96 -4.202 -1.153 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.751 -3.040 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.404 -0.981 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.897 -0.901 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.445 -0.019 -2.340 1.00 0.00 H new ATOM 1481 N THR A 97 -1.195 -1.390 -1.235 1.00 0.00 N ATOM 1482 CA THR A 97 0.260 -1.379 -1.149 1.00 0.00 C ATOM 1483 C THR A 97 0.779 -2.561 -0.336 1.00 0.00 C ATOM 1484 O THR A 97 1.834 -3.117 -0.639 1.00 0.00 O ATOM 1485 CB THR A 97 0.781 -0.066 -0.532 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.196 -0.148 -0.328 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.089 0.232 0.789 1.00 0.00 C ATOM 0 H THR A 97 -1.658 -0.702 -0.641 1.00 0.00 H new ATOM 0 HA THR A 97 0.634 -1.460 -2.170 1.00 0.00 H new ATOM 0 HB THR A 97 0.559 0.745 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.519 0.691 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.477 1.164 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.984 0.327 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.278 -0.581 1.490 1.00 0.00 H new ATOM 1495 N LEU A 98 0.033 -2.942 0.698 1.00 0.00 N ATOM 1496 CA LEU A 98 0.420 -4.065 1.546 1.00 0.00 C ATOM 1497 C LEU A 98 0.462 -5.363 0.747 1.00 0.00 C ATOM 1498 O LEU A 98 1.445 -6.103 0.801 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.551 -4.205 2.722 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.314 -3.233 3.880 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.401 -3.384 4.932 1.00 0.00 C ATOM 1502 CD2 LEU A 98 1.060 -3.459 4.494 1.00 0.00 C ATOM 0 H LEU A 98 -0.841 -2.490 0.968 1.00 0.00 H new ATOM 0 HA LEU A 98 1.420 -3.866 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.567 -4.065 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.489 -5.224 3.105 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.352 -2.216 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.217 -2.685 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.372 -3.172 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.394 -4.403 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.211 -2.759 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.127 -4.480 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.828 -3.300 3.737 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.610 -5.637 0.009 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.688 -6.845 -0.806 1.00 0.00 C ATOM 1516 C PHE A 99 0.469 -6.904 -1.795 1.00 0.00 C ATOM 1517 O PHE A 99 0.882 -7.982 -2.223 1.00 0.00 O ATOM 1518 CB PHE A 99 -2.018 -6.897 -1.558 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.045 -7.776 -0.904 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.068 -9.139 -1.156 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.987 -7.242 -0.041 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.010 -9.953 -0.559 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.933 -8.052 0.560 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.945 -9.408 0.301 1.00 0.00 C ATOM 0 H PHE A 99 -1.435 -5.040 -0.041 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.623 -7.706 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.418 -5.886 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.839 -7.255 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.340 -9.569 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.983 -6.182 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.016 -11.013 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.662 -7.624 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.683 -10.042 0.769 1.00 0.00 H new ATOM 1534 N ALA A 100 0.988 -5.735 -2.153 1.00 0.00 N ATOM 1535 CA ALA A 100 2.101 -5.648 -3.088 1.00 0.00 C ATOM 1536 C ALA A 100 3.411 -6.030 -2.409 1.00 0.00 C ATOM 1537 O ALA A 100 4.267 -6.681 -3.008 1.00 0.00 O ATOM 1538 CB ALA A 100 2.194 -4.244 -3.669 1.00 0.00 C ATOM 0 H ALA A 100 0.655 -4.834 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 100 1.921 -6.352 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.030 -4.193 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.269 -4.005 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.349 -3.526 -2.863 1.00 0.00 H new ATOM 1544 N LEU A 101 3.558 -5.619 -1.154 1.00 0.00 N ATOM 1545 CA LEU A 101 4.758 -5.919 -0.381 1.00 0.00 C ATOM 1546 C LEU A 101 4.985 -7.425 -0.286 1.00 0.00 C ATOM 1547 O LEU A 101 6.115 -7.900 -0.395 1.00 0.00 O ATOM 1548 CB LEU A 101 4.643 -5.325 1.026 1.00 0.00 C ATOM 1549 CG LEU A 101 4.532 -3.799 1.083 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.158 -3.345 2.486 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.835 -3.153 0.640 1.00 0.00 C ATOM 0 H LEU A 101 2.858 -5.075 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 101 5.610 -5.472 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.769 -5.755 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.514 -5.632 1.605 1.00 0.00 H new ATOM 0 HG LEU A 101 3.744 -3.484 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.083 -2.258 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.199 -3.781 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.924 -3.671 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.738 -2.068 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.642 -3.474 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.060 -3.453 -0.383 1.00 0.00 H new ATOM 1563 N GLY A 102 3.902 -8.166 -0.082 1.00 0.00 N ATOM 1564 CA GLY A 102 3.998 -9.611 0.036 1.00 0.00 C ATOM 1565 C GLY A 102 4.347 -10.297 -1.271 1.00 0.00 C ATOM 1566 O GLY A 102 4.951 -11.370 -1.269 1.00 0.00 O ATOM 0 H GLY A 102 2.957 -7.792 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.754 -9.858 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.049 -10.003 0.402 1.00 0.00 H new ATOM 1570 N GLN A 103 3.971 -9.687 -2.391 1.00 0.00 N ATOM 1571 CA GLN A 103 4.250 -10.268 -3.701 1.00 0.00 C ATOM 1572 C GLN A 103 5.701 -10.031 -4.112 1.00 0.00 C ATOM 1573 O GLN A 103 6.386 -10.954 -4.552 1.00 0.00 O ATOM 1574 CB GLN A 103 3.307 -9.695 -4.760 1.00 0.00 C ATOM 1575 CG GLN A 103 3.287 -10.505 -6.049 1.00 0.00 C ATOM 1576 CD GLN A 103 2.301 -9.969 -7.066 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.778 -9.100 -7.951 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.127 -10.336 -7.064 1.00 0.00 N flip ATOM 0 H GLN A 103 3.475 -8.796 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 103 4.085 -11.343 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.297 -9.650 -4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.605 -8.671 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.286 -10.509 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.036 -11.540 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.803 -11.005 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.477 -9.971 -7.761 1.00 0.00 H new ATOM 1587 N LEU A 104 6.164 -8.792 -3.970 1.00 0.00 N ATOM 1588 CA LEU A 104 7.535 -8.447 -4.326 1.00 0.00 C ATOM 1589 C LEU A 104 8.527 -9.258 -3.501 1.00 0.00 C ATOM 1590 O LEU A 104 9.631 -9.558 -3.956 1.00 0.00 O ATOM 1591 CB LEU A 104 7.785 -6.951 -4.120 1.00 0.00 C ATOM 1592 CG LEU A 104 7.074 -6.029 -5.114 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.324 -4.571 -4.760 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.534 -6.318 -6.536 1.00 0.00 C ATOM 0 H LEU A 104 5.611 -8.013 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 104 7.679 -8.686 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.472 -6.682 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.858 -6.766 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 104 6.003 -6.221 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.811 -3.929 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.946 -4.370 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.394 -4.367 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.017 -5.653 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.609 -6.155 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.305 -7.353 -6.789 1.00 0.00 H new ATOM 1606 N ALA A 105 8.124 -9.610 -2.284 1.00 0.00 N ATOM 1607 CA ALA A 105 8.971 -10.392 -1.394 1.00 0.00 C ATOM 1608 C ALA A 105 9.031 -11.849 -1.841 1.00 0.00 C ATOM 1609 O ALA A 105 10.059 -12.510 -1.701 1.00 0.00 O ATOM 1610 CB ALA A 105 8.461 -10.297 0.036 1.00 0.00 C ATOM 0 H ALA A 105 7.215 -9.365 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 105 9.980 -9.983 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.103 -10.886 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.472 -9.256 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.442 -10.681 0.085 1.00 0.00 H new ATOM 1616 N ALA A 106 7.920 -12.339 -2.382 1.00 0.00 N ATOM 1617 CA ALA A 106 7.840 -13.716 -2.855 1.00 0.00 C ATOM 1618 C ALA A 106 8.317 -13.830 -4.299 1.00 0.00 C ATOM 1619 O ALA A 106 8.560 -14.928 -4.798 1.00 0.00 O ATOM 1620 CB ALA A 106 6.416 -14.233 -2.727 1.00 0.00 C ATOM 0 H ALA A 106 7.062 -11.802 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 106 8.496 -14.326 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.369 -15.262 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.108 -14.196 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.748 -13.612 -3.324 1.00 0.00 H new ATOM 1626 N GLU A 107 8.449 -12.687 -4.965 1.00 0.00 N ATOM 1627 CA GLU A 107 8.896 -12.656 -6.353 1.00 0.00 C ATOM 1628 C GLU A 107 10.406 -12.849 -6.438 1.00 0.00 C ATOM 1629 O GLU A 107 10.904 -13.548 -7.320 1.00 0.00 O ATOM 1630 CB GLU A 107 8.494 -11.329 -7.007 1.00 0.00 C ATOM 1631 CG GLU A 107 8.636 -11.317 -8.522 1.00 0.00 C ATOM 1632 CD GLU A 107 10.080 -11.246 -8.981 1.00 0.00 C ATOM 1633 OE1 GLU A 107 10.721 -10.198 -8.763 1.00 0.00 O ATOM 1634 OE2 GLU A 107 10.569 -12.240 -9.559 1.00 0.00 O ATOM 0 H GLU A 107 8.253 -11.769 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 107 8.415 -13.475 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.459 -11.107 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.106 -10.530 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.174 -12.215 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.090 -10.465 -8.926 1.00 0.00 H new ATOM 1750 N LEU A 117 12.573 -6.475 3.105 1.00 0.00 N ATOM 1751 CA LEU A 117 11.510 -5.572 2.690 1.00 0.00 C ATOM 1752 C LEU A 117 10.252 -5.853 3.499 1.00 0.00 C ATOM 1753 O LEU A 117 9.447 -4.957 3.750 1.00 0.00 O ATOM 1754 CB LEU A 117 11.221 -5.756 1.201 1.00 0.00 C ATOM 1755 CG LEU A 117 10.384 -6.988 0.857 1.00 0.00 C ATOM 1756 CD1 LEU A 117 8.912 -6.620 0.766 1.00 0.00 C ATOM 1757 CD2 LEU A 117 10.872 -7.621 -0.433 1.00 0.00 C ATOM 0 HA LEU A 117 11.827 -4.544 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.705 -4.869 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.169 -5.817 0.666 1.00 0.00 H new ATOM 0 HG LEU A 117 10.500 -7.722 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.329 -7.508 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.577 -6.220 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.772 -5.868 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.264 -8.496 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.790 -6.900 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.913 -7.922 -0.319 1.00 0.00 H new ATOM 1769 N ILE A 118 10.095 -7.116 3.892 1.00 0.00 N ATOM 1770 CA ILE A 118 8.947 -7.544 4.679 1.00 0.00 C ATOM 1771 C ILE A 118 8.707 -6.591 5.843 1.00 0.00 C ATOM 1772 O ILE A 118 7.571 -6.388 6.274 1.00 0.00 O ATOM 1773 CB ILE A 118 9.152 -8.977 5.218 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.984 -10.001 4.091 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.187 -9.270 6.361 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.596 -10.022 3.485 1.00 0.00 C ATOM 0 H ILE A 118 10.755 -7.863 3.675 1.00 0.00 H new ATOM 0 HA ILE A 118 8.075 -7.535 4.025 1.00 0.00 H new ATOM 0 HB ILE A 118 10.168 -9.055 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.709 -9.786 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.217 -10.993 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.350 -10.285 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.358 -8.562 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.161 -9.173 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.555 -10.772 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.866 -10.268 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.366 -9.042 3.067 1.00 0.00 H new ATOM 1788 N ASP A 119 9.791 -6.009 6.340 1.00 0.00 N ATOM 1789 CA ASP A 119 9.725 -5.069 7.447 1.00 0.00 C ATOM 1790 C ASP A 119 8.674 -3.994 7.197 1.00 0.00 C ATOM 1791 O ASP A 119 7.851 -3.704 8.066 1.00 0.00 O ATOM 1792 CB ASP A 119 11.089 -4.414 7.649 1.00 0.00 C ATOM 1793 CG ASP A 119 11.917 -5.108 8.713 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.555 -6.133 8.395 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.929 -4.625 9.865 1.00 0.00 O ATOM 0 H ASP A 119 10.734 -6.175 5.989 1.00 0.00 H new ATOM 0 HA ASP A 119 9.443 -5.621 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.635 -4.422 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.949 -3.369 7.927 1.00 0.00 H new ATOM 1800 N ARG A 120 8.702 -3.417 6.000 1.00 0.00 N ATOM 1801 CA ARG A 120 7.766 -2.361 5.630 1.00 0.00 C ATOM 1802 C ARG A 120 6.322 -2.804 5.835 1.00 0.00 C ATOM 1803 O ARG A 120 5.486 -2.026 6.294 1.00 0.00 O ATOM 1804 CB ARG A 120 7.981 -1.944 4.173 1.00 0.00 C ATOM 1805 CG ARG A 120 9.264 -1.159 3.937 1.00 0.00 C ATOM 1806 CD ARG A 120 10.501 -2.018 4.154 1.00 0.00 C ATOM 1807 NE ARG A 120 11.733 -1.289 3.868 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.941 -1.710 4.232 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.076 -2.852 4.894 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.013 -0.991 3.933 1.00 0.00 N ATOM 0 H ARG A 120 9.366 -3.664 5.266 1.00 0.00 H new ATOM 0 HA ARG A 120 7.956 -1.506 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.993 -2.837 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.133 -1.340 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.268 -0.767 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.294 -0.302 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.520 -2.371 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.446 -2.900 3.516 1.00 0.00 H new ATOM 0 HE ARG A 120 11.663 -0.407 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.253 -3.408 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.003 -3.174 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.912 -0.113 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.939 -1.315 4.213 1.00 0.00 H new ATOM 1824 N TYR A 121 6.035 -4.054 5.490 1.00 0.00 N ATOM 1825 CA TYR A 121 4.689 -4.591 5.637 1.00 0.00 C ATOM 1826 C TYR A 121 4.241 -4.543 7.095 1.00 0.00 C ATOM 1827 O TYR A 121 3.213 -3.949 7.419 1.00 0.00 O ATOM 1828 CB TYR A 121 4.626 -6.031 5.121 1.00 0.00 C ATOM 1829 CG TYR A 121 3.231 -6.619 5.119 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.645 -7.072 6.296 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.501 -6.723 3.942 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.372 -7.610 6.299 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.228 -7.259 3.937 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.668 -7.701 5.117 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.600 -8.237 5.116 1.00 0.00 O ATOM 0 H TYR A 121 6.714 -4.712 5.108 1.00 0.00 H new ATOM 0 HA TYR A 121 4.015 -3.972 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.024 -6.061 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.273 -6.656 5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.194 -7.002 7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.936 -6.379 3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.931 -7.957 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.674 -7.332 3.013 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.958 -8.228 4.204 1.00 0.00 H new ATOM 1845 N HIS A 122 5.019 -5.173 7.967 1.00 0.00 N ATOM 1846 CA HIS A 122 4.705 -5.210 9.392 1.00 0.00 C ATOM 1847 C HIS A 122 4.581 -3.805 9.973 1.00 0.00 C ATOM 1848 O HIS A 122 3.860 -3.590 10.948 1.00 0.00 O ATOM 1849 CB HIS A 122 5.778 -5.992 10.151 1.00 0.00 C ATOM 1850 CG HIS A 122 5.680 -7.476 9.971 1.00 0.00 C ATOM 1851 ND1 HIS A 122 5.105 -8.311 10.906 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.089 -8.274 8.957 1.00 0.00 C ATOM 1853 CE1 HIS A 122 5.164 -9.558 10.476 1.00 0.00 C ATOM 1854 NE2 HIS A 122 5.756 -9.562 9.296 1.00 0.00 N ATOM 0 H HIS A 122 5.874 -5.667 7.712 1.00 0.00 H new ATOM 0 HA HIS A 122 3.744 -5.711 9.506 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.761 -5.659 9.819 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.703 -5.758 11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.584 -7.957 8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 122 4.792 -10.426 11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 122 5.937 -10.389 8.727 1.00 0.00 H new ATOM 1863 N PHE A 123 5.285 -2.853 9.371 1.00 0.00 N ATOM 1864 CA PHE A 123 5.250 -1.472 9.841 1.00 0.00 C ATOM 1865 C PHE A 123 3.920 -0.801 9.502 1.00 0.00 C ATOM 1866 O PHE A 123 3.245 -0.267 10.382 1.00 0.00 O ATOM 1867 CB PHE A 123 6.407 -0.669 9.238 1.00 0.00 C ATOM 1868 CG PHE A 123 7.774 -1.161 9.637 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.977 -1.797 10.853 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.858 -0.982 8.793 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.233 -2.245 11.216 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.116 -1.427 9.152 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.303 -2.061 10.365 1.00 0.00 C ATOM 0 H PHE A 123 5.884 -3.010 8.561 1.00 0.00 H new ATOM 0 HA PHE A 123 5.356 -1.492 10.926 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.326 -0.697 8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.306 0.374 9.539 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.144 -1.944 11.524 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.718 -0.488 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.377 -2.739 12.166 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.952 -1.279 8.485 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.285 -2.412 10.646 1.00 0.00 H new ATOM 1883 N LEU A 124 3.550 -0.829 8.224 1.00 0.00 N ATOM 1884 CA LEU A 124 2.303 -0.216 7.775 1.00 0.00 C ATOM 1885 C LEU A 124 1.091 -0.893 8.405 1.00 0.00 C ATOM 1886 O LEU A 124 0.174 -0.224 8.880 1.00 0.00 O ATOM 1887 CB LEU A 124 2.197 -0.279 6.249 1.00 0.00 C ATOM 1888 CG LEU A 124 0.863 0.208 5.674 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.628 1.670 6.023 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.829 0.007 4.167 1.00 0.00 C ATOM 0 H LEU A 124 4.095 -1.269 7.482 1.00 0.00 H new ATOM 0 HA LEU A 124 2.315 0.827 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.001 0.318 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.359 -1.309 5.930 1.00 0.00 H new ATOM 0 HG LEU A 124 0.062 -0.382 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.325 1.995 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.608 1.787 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.433 2.277 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.125 0.358 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.640 0.571 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.948 -1.052 3.938 1.00 0.00 H new ATOM 1902 N ARG A 125 1.087 -2.223 8.386 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.013 -2.997 8.956 1.00 0.00 C ATOM 1904 C ARG A 125 -0.429 -2.459 10.324 1.00 0.00 C ATOM 1905 O ARG A 125 -1.610 -2.478 10.671 1.00 0.00 O ATOM 1906 CB ARG A 125 0.378 -4.471 9.078 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.711 -5.335 9.698 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.277 -6.786 9.820 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.294 -7.604 10.476 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.365 -8.927 10.365 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.482 -9.582 9.623 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.321 -9.596 10.995 1.00 0.00 N ATOM 0 H ARG A 125 1.834 -2.788 7.982 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.863 -2.903 8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.620 -4.858 8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.282 -4.551 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.965 -4.947 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.613 -5.275 9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.071 -7.188 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.653 -6.841 10.385 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.991 -7.133 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.254 -9.071 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.539 -10.597 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.003 -9.096 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.375 -10.611 10.909 1.00 0.00 H new ATOM 1926 N GLY A 126 0.542 -1.982 11.098 1.00 0.00 N ATOM 1927 CA GLY A 126 0.246 -1.460 12.421 1.00 0.00 C ATOM 1928 C GLY A 126 -0.432 -0.101 12.394 1.00 0.00 C ATOM 1929 O GLY A 126 -1.222 0.219 13.282 1.00 0.00 O ATOM 0 H GLY A 126 1.527 -1.948 10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.395 -2.167 12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.173 -1.384 12.990 1.00 0.00 H new ATOM 1933 N PHE A 127 -0.126 0.699 11.378 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.702 2.034 11.249 1.00 0.00 C ATOM 1935 C PHE A 127 -2.183 1.974 10.877 1.00 0.00 C ATOM 1936 O PHE A 127 -2.975 2.810 11.310 1.00 0.00 O ATOM 1937 CB PHE A 127 0.070 2.834 10.195 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.584 4.129 9.803 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.418 5.268 10.577 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -1.363 4.209 8.660 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -1.018 6.459 10.216 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.964 5.397 8.295 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.792 6.525 9.074 1.00 0.00 C ATOM 0 H PHE A 127 0.519 0.446 10.630 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.621 2.529 12.217 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.069 3.045 10.576 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.192 2.217 9.304 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.186 5.223 11.471 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.502 3.331 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.882 7.339 10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.568 5.445 7.401 1.00 0.00 H new ATOM 0 HZ PHE A 127 -2.261 7.456 8.791 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.548 0.983 10.073 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.929 0.823 9.635 1.00 0.00 C ATOM 1955 C ALA A 128 -4.804 0.229 10.734 1.00 0.00 C ATOM 1956 O ALA A 128 -6.030 0.280 10.653 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.983 -0.050 8.393 1.00 0.00 C ATOM 0 H ALA A 128 -1.906 0.278 9.711 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.321 1.813 9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.019 -0.164 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.406 0.417 7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.563 -1.030 8.619 1.00 0.00 H new ATOM 1963 N ALA A 129 -4.169 -0.333 11.757 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.898 -0.943 12.865 1.00 0.00 C ATOM 1965 C ALA A 129 -5.515 0.112 13.778 1.00 0.00 C ATOM 1966 O ALA A 129 -6.496 -0.153 14.473 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.977 -1.856 13.661 1.00 0.00 C ATOM 0 H ALA A 129 -3.154 -0.379 11.843 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.711 -1.534 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.532 -2.305 14.484 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.593 -2.642 13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.144 -1.276 14.059 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.936 1.309 13.773 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.443 2.383 14.611 1.00 0.00 C ATOM 1975 C GLY A 130 -6.406 3.294 13.876 1.00 0.00 C ATOM 1976 O GLY A 130 -6.795 4.342 14.392 1.00 0.00 O ATOM 0 H GLY A 130 -4.126 1.555 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.945 1.955 15.479 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.606 2.972 14.985 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.791 2.895 12.669 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.715 3.683 11.862 1.00 0.00 C ATOM 1982 C HIS A 131 -9.167 3.405 12.259 1.00 0.00 C ATOM 1983 O HIS A 131 -9.488 2.315 12.732 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.507 3.383 10.376 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.614 4.367 9.688 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.745 5.732 9.834 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -5.572 4.181 8.844 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.823 6.342 9.111 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -5.099 5.423 8.500 1.00 0.00 N ATOM 0 H HIS A 131 -6.478 2.030 12.228 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.509 4.738 12.044 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.083 2.384 10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.476 3.372 9.876 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -5.185 3.232 8.504 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.685 7.410 9.033 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -4.315 5.606 7.874 1.00 0.00 H new ATOM 1998 N PRO A 132 -10.061 4.397 12.080 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.483 4.253 12.420 1.00 0.00 C ATOM 2000 C PRO A 132 -12.144 3.100 11.670 1.00 0.00 C ATOM 2001 O PRO A 132 -13.126 2.523 12.138 1.00 0.00 O ATOM 2002 CB PRO A 132 -12.097 5.591 11.991 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.953 6.544 11.949 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.757 5.734 11.540 1.00 0.00 C ATOM 0 HA PRO A 132 -11.625 4.026 13.477 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.579 5.510 11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -12.859 5.920 12.697 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.141 7.349 11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.796 7.009 12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.635 5.714 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.834 6.138 11.957 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.597 2.773 10.504 1.00 0.00 N ATOM 2013 CA GLU A 133 -12.127 1.687 9.688 1.00 0.00 C ATOM 2014 C GLU A 133 -11.159 0.512 9.666 1.00 0.00 C ATOM 2015 O GLU A 133 -11.262 -0.373 8.817 1.00 0.00 O ATOM 2016 CB GLU A 133 -12.400 2.163 8.259 1.00 0.00 C ATOM 2017 CG GLU A 133 -11.203 2.817 7.591 1.00 0.00 C ATOM 2018 CD GLU A 133 -10.950 4.227 8.087 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.795 5.108 7.826 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -9.906 4.451 8.733 1.00 0.00 O ATOM 0 H GLU A 133 -10.787 3.245 10.103 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.067 1.362 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -12.720 1.312 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -13.228 2.872 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.316 2.209 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.362 2.839 6.513 1.00 0.00 H new ATOM 2027 N ALA A 134 -10.214 0.521 10.603 1.00 0.00 N ATOM 2028 CA ALA A 134 -9.221 -0.542 10.709 1.00 0.00 C ATOM 2029 C ALA A 134 -9.859 -1.911 10.521 1.00 0.00 C ATOM 2030 O ALA A 134 -9.292 -2.783 9.865 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.519 -0.471 12.057 1.00 0.00 C ATOM 0 H ALA A 134 -10.116 1.257 11.302 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.487 -0.399 9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.780 -1.269 12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -8.022 0.494 12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.252 -0.586 12.855 1.00 0.00 H new ATOM 2037 N ALA A 135 -11.038 -2.093 11.105 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.759 -3.355 11.002 1.00 0.00 C ATOM 2039 C ALA A 135 -11.838 -3.843 9.559 1.00 0.00 C ATOM 2040 O ALA A 135 -11.571 -5.010 9.277 1.00 0.00 O ATOM 2041 CB ALA A 135 -13.156 -3.209 11.587 1.00 0.00 C ATOM 0 H ALA A 135 -11.515 -1.380 11.656 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.207 -4.102 11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.686 -4.158 11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -13.083 -2.924 12.637 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.701 -2.440 11.039 1.00 0.00 H new ATOM 2047 N ALA A 136 -12.207 -2.950 8.647 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.327 -3.309 7.239 1.00 0.00 C ATOM 2049 C ALA A 136 -10.961 -3.520 6.590 1.00 0.00 C ATOM 2050 O ALA A 136 -10.807 -4.367 5.712 1.00 0.00 O ATOM 2051 CB ALA A 136 -13.106 -2.238 6.491 1.00 0.00 C ATOM 0 H ALA A 136 -12.427 -1.976 8.856 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.868 -4.254 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.190 -2.516 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -14.103 -2.145 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.585 -1.284 6.573 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.975 -2.744 7.023 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.627 -2.830 6.470 1.00 0.00 C ATOM 2059 C ILE A 137 -7.912 -4.143 6.807 1.00 0.00 C ATOM 2060 O ILE A 137 -7.408 -4.820 5.910 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.759 -1.657 6.959 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.390 -0.325 6.548 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.348 -1.780 6.403 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.726 0.881 7.175 1.00 0.00 C ATOM 0 H ILE A 137 -10.083 -2.045 7.758 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.753 -2.788 5.388 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.703 -1.688 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.344 -0.231 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.445 -0.332 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.744 -0.944 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.904 -2.717 6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.384 -1.767 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -8.227 1.788 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.795 0.811 8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.677 0.914 6.879 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.865 -4.504 8.088 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.165 -5.720 8.504 1.00 0.00 C ATOM 2078 C TYR A 138 -7.819 -6.972 7.933 1.00 0.00 C ATOM 2079 O TYR A 138 -7.133 -7.937 7.596 1.00 0.00 O ATOM 2080 CB TYR A 138 -7.076 -5.803 10.034 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.247 -6.492 10.702 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.372 -5.777 11.083 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.218 -7.858 10.959 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.439 -6.403 11.702 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.280 -8.490 11.578 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.387 -7.757 11.947 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.447 -8.383 12.563 1.00 0.00 O ATOM 0 H TYR A 138 -8.297 -3.980 8.849 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.153 -5.667 8.102 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.161 -6.331 10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.991 -4.793 10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.416 -4.715 10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.352 -8.435 10.670 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.309 -5.832 11.992 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.242 -9.552 11.771 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.251 -9.338 12.661 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.142 -6.961 7.826 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.858 -8.106 7.279 1.00 0.00 C ATOM 2099 C ARG A 139 -9.653 -8.173 5.772 1.00 0.00 C ATOM 2100 O ARG A 139 -9.671 -9.250 5.176 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.350 -8.024 7.612 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.043 -6.810 7.021 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.502 -6.744 7.440 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.656 -6.720 8.893 1.00 0.00 N ATOM 2105 CZ ARG A 139 -14.746 -6.279 9.511 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.775 -5.825 8.807 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -14.810 -6.292 10.836 1.00 0.00 N ATOM 0 H ARG A 139 -9.735 -6.181 8.108 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.460 -9.014 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.844 -8.925 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.471 -8.008 8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.529 -5.904 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.977 -6.845 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.962 -5.853 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.035 -7.604 7.034 1.00 0.00 H new ATOM 0 HE ARG A 139 -12.883 -7.061 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.731 -5.814 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.610 -5.487 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -14.022 -6.641 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -15.647 -5.953 11.309 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.456 -7.006 5.164 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.233 -6.917 3.727 1.00 0.00 C ATOM 2123 C ALA A 140 -7.895 -7.538 3.346 1.00 0.00 C ATOM 2124 O ALA A 140 -7.762 -8.147 2.284 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.297 -5.469 3.269 1.00 0.00 C ATOM 0 H ALA A 140 -9.447 -6.108 5.647 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.022 -7.476 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.128 -5.420 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.279 -5.057 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.530 -4.890 3.783 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.902 -7.382 4.219 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.574 -7.935 3.974 1.00 0.00 C ATOM 2133 C ILE A 141 -5.469 -9.356 4.515 1.00 0.00 C ATOM 2134 O ILE A 141 -4.543 -10.095 4.178 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.470 -7.071 4.613 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.653 -7.008 6.132 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.475 -5.673 4.012 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.509 -6.328 6.854 1.00 0.00 C ATOM 0 H ILE A 141 -6.993 -6.878 5.101 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.430 -7.944 2.894 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.504 -7.530 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.579 -6.478 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.764 -8.021 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.689 -5.075 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.298 -5.738 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.442 -5.203 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.708 -6.321 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.583 -6.870 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.411 -5.303 6.496 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.424 -9.730 5.358 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.445 -11.062 5.952 1.00 0.00 C ATOM 2152 C ASP A 142 -7.224 -12.036 5.073 1.00 0.00 C ATOM 2153 O ASP A 142 -6.595 -12.690 4.215 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.063 -11.012 7.350 1.00 0.00 C ATOM 2155 CG ASP A 142 -6.996 -12.350 8.060 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -5.958 -12.633 8.695 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.979 -13.115 7.980 1.00 0.00 O ATOM 2158 OXT ASP A 142 -8.457 -12.137 5.250 1.00 0.00 O ATOM 0 H ASP A 142 -7.196 -9.129 5.646 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.416 -11.413 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.545 -10.261 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.103 -10.696 7.273 1.00 0.00 H new