USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 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=-0.00149 USER MOD Single : A 17 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.062) USER MOD Single : A 24 THR OG1 : rot 102:sc= 1.4 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -152:sc= -0.307 (180deg=-1.32) USER MOD Single : A 32 MET CE :methyl -178:sc= -0.202 (180deg=-0.206) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -111:sc= -1.87 (180deg=-6.55!) USER MOD Single : A 46 CYS SG : rot 108:sc= 0.879 USER MOD Single : A 49 TYR OH : rot -110:sc=0.000649 USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00943 F(o=-1.1,f=-0.0094) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00629 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 65 TYR OH : rot 94:sc= 0.0148 USER MOD Single : A 66 MET CE :methyl -178:sc= -4.16! (180deg=-4.23!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.343 F(o=-0.92!,f=0.34) USER MOD Single : A 81 ASN : amide:sc= -7.65! C(o=-7.7!,f=-10!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0228 F(o=-1.3,f=-0.023) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc=-0.00669 X(o=-0.0067,f=-0.016) USER MOD Single : A 131 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.2) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 3.856 4.360 18.101 1.00 0.00 N ATOM 96 CA PRO A 7 4.093 5.787 17.865 1.00 0.00 C ATOM 97 C PRO A 7 4.389 6.077 16.405 1.00 0.00 C ATOM 98 O PRO A 7 4.683 7.208 16.019 1.00 0.00 O ATOM 99 CB PRO A 7 5.322 6.107 18.723 1.00 0.00 C ATOM 100 CG PRO A 7 5.534 4.908 19.591 1.00 0.00 C ATOM 101 CD PRO A 7 4.970 3.745 18.829 1.00 0.00 C ATOM 0 HA PRO A 7 3.219 6.387 18.117 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.195 6.298 18.100 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.158 7.001 19.324 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.593 4.760 19.802 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.032 5.027 20.551 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.705 3.307 18.154 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.632 2.949 19.493 1.00 0.00 H new ATOM 109 N VAL A 8 4.307 5.032 15.611 1.00 0.00 N ATOM 110 CA VAL A 8 4.565 5.115 14.178 1.00 0.00 C ATOM 111 C VAL A 8 3.403 5.768 13.439 1.00 0.00 C ATOM 112 O VAL A 8 2.256 5.339 13.559 1.00 0.00 O ATOM 113 CB VAL A 8 4.808 3.719 13.577 1.00 0.00 C ATOM 114 CG1 VAL A 8 5.191 3.821 12.109 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.875 2.976 14.366 1.00 0.00 C ATOM 0 H VAL A 8 4.060 4.097 15.935 1.00 0.00 H new ATOM 0 HA VAL A 8 5.458 5.727 14.055 1.00 0.00 H new ATOM 0 HB VAL A 8 3.879 3.152 13.643 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.358 2.822 11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.386 4.306 11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.104 4.409 12.011 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.033 1.991 13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.807 3.540 14.338 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.550 2.864 15.400 1.00 0.00 H new ATOM 125 N THR A 9 3.711 6.809 12.676 1.00 0.00 N ATOM 126 CA THR A 9 2.700 7.522 11.907 1.00 0.00 C ATOM 127 C THR A 9 3.253 7.965 10.560 1.00 0.00 C ATOM 128 O THR A 9 4.394 8.417 10.463 1.00 0.00 O ATOM 129 CB THR A 9 2.175 8.756 12.660 1.00 0.00 C ATOM 130 OG1 THR A 9 3.263 9.623 13.003 1.00 0.00 O ATOM 131 CG2 THR A 9 1.428 8.347 13.921 1.00 0.00 C ATOM 0 H THR A 9 4.656 7.179 12.573 1.00 0.00 H new ATOM 0 HA THR A 9 1.875 6.826 11.754 1.00 0.00 H new ATOM 0 HB THR A 9 1.483 9.285 12.004 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.919 10.407 13.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.067 9.238 14.435 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.582 7.714 13.653 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.100 7.795 14.579 1.00 0.00 H new ATOM 139 N ALA A 10 2.438 7.833 9.521 1.00 0.00 N ATOM 140 CA ALA A 10 2.848 8.219 8.178 1.00 0.00 C ATOM 141 C ALA A 10 2.707 9.723 7.969 1.00 0.00 C ATOM 142 O ALA A 10 2.231 10.442 8.849 1.00 0.00 O ATOM 143 CB ALA A 10 2.034 7.463 7.138 1.00 0.00 C ATOM 0 H ALA A 10 1.490 7.462 9.583 1.00 0.00 H new ATOM 0 HA ALA A 10 3.900 7.959 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.352 7.762 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.190 6.391 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.976 7.693 7.266 1.00 0.00 H new ATOM 149 N SER A 11 3.124 10.190 6.797 1.00 0.00 N ATOM 150 CA SER A 11 3.048 11.608 6.462 1.00 0.00 C ATOM 151 C SER A 11 3.050 11.802 4.949 1.00 0.00 C ATOM 152 O SER A 11 3.531 10.948 4.210 1.00 0.00 O ATOM 153 CB SER A 11 4.221 12.367 7.086 1.00 0.00 C ATOM 154 OG SER A 11 4.158 13.749 6.779 1.00 0.00 O ATOM 0 H SER A 11 3.519 9.605 6.061 1.00 0.00 H new ATOM 0 HA SER A 11 2.116 12.004 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.212 12.231 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.161 11.953 6.721 1.00 0.00 H new ATOM 0 HG SER A 11 4.918 14.211 7.191 1.00 0.00 H new ATOM 160 N LEU A 12 2.511 12.925 4.491 1.00 0.00 N ATOM 161 CA LEU A 12 2.459 13.208 3.063 1.00 0.00 C ATOM 162 C LEU A 12 3.751 13.861 2.586 1.00 0.00 C ATOM 163 O LEU A 12 4.106 14.956 3.024 1.00 0.00 O ATOM 164 CB LEU A 12 1.265 14.105 2.736 1.00 0.00 C ATOM 165 CG LEU A 12 0.939 14.220 1.246 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.705 12.841 0.644 1.00 0.00 C ATOM 167 CD2 LEU A 12 -0.277 15.109 1.037 1.00 0.00 C ATOM 0 H LEU A 12 2.106 13.650 5.083 1.00 0.00 H new ATOM 0 HA LEU A 12 2.341 12.260 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.387 13.722 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.459 15.103 3.129 1.00 0.00 H new ATOM 0 HG LEU A 12 1.790 14.675 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.474 12.941 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.603 12.234 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.130 12.359 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.496 15.181 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.134 14.681 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.073 16.104 1.433 1.00 0.00 H new ATOM 179 N VAL A 13 4.450 13.180 1.684 1.00 0.00 N ATOM 180 CA VAL A 13 5.705 13.685 1.141 1.00 0.00 C ATOM 181 C VAL A 13 5.450 14.738 0.068 1.00 0.00 C ATOM 182 O VAL A 13 4.467 14.659 -0.670 1.00 0.00 O ATOM 183 CB VAL A 13 6.553 12.547 0.537 1.00 0.00 C ATOM 184 CG1 VAL A 13 7.930 13.057 0.140 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.667 11.388 1.515 1.00 0.00 C ATOM 0 H VAL A 13 4.167 12.273 1.313 1.00 0.00 H new ATOM 0 HA VAL A 13 6.253 14.136 1.969 1.00 0.00 H new ATOM 0 HB VAL A 13 6.053 12.186 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.513 12.239 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.825 13.850 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.441 13.448 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.269 10.595 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.142 11.733 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.672 11.005 1.742 1.00 0.00 H new ATOM 195 N ALA A 14 6.338 15.726 -0.011 1.00 0.00 N ATOM 196 CA ALA A 14 6.210 16.792 -0.998 1.00 0.00 C ATOM 197 C ALA A 14 6.098 16.219 -2.406 1.00 0.00 C ATOM 198 O ALA A 14 6.626 15.146 -2.690 1.00 0.00 O ATOM 199 CB ALA A 14 7.393 17.744 -0.905 1.00 0.00 C ATOM 0 H ALA A 14 7.153 15.810 0.597 1.00 0.00 H new ATOM 0 HA ALA A 14 5.297 17.347 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.283 18.534 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.428 18.185 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.317 17.196 -1.092 1.00 0.00 H new ATOM 205 N GLU A 15 5.406 16.939 -3.282 1.00 0.00 N ATOM 206 CA GLU A 15 5.221 16.494 -4.659 1.00 0.00 C ATOM 207 C GLU A 15 6.541 16.507 -5.426 1.00 0.00 C ATOM 208 O GLU A 15 6.759 15.685 -6.315 1.00 0.00 O ATOM 209 CB GLU A 15 4.195 17.378 -5.370 1.00 0.00 C ATOM 210 CG GLU A 15 4.546 18.857 -5.351 1.00 0.00 C ATOM 211 CD GLU A 15 3.516 19.709 -6.064 1.00 0.00 C ATOM 212 OE1 GLU A 15 2.545 20.141 -5.408 1.00 0.00 O ATOM 213 OE2 GLU A 15 3.680 19.947 -7.279 1.00 0.00 O ATOM 0 H GLU A 15 4.964 17.832 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 15 4.852 15.469 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.100 17.049 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.221 17.239 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.637 19.192 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.519 19.002 -5.820 1.00 0.00 H new ATOM 220 N ALA A 16 7.417 17.444 -5.079 1.00 0.00 N ATOM 221 CA ALA A 16 8.712 17.561 -5.742 1.00 0.00 C ATOM 222 C ALA A 16 9.781 16.736 -5.032 1.00 0.00 C ATOM 223 O ALA A 16 10.913 16.633 -5.507 1.00 0.00 O ATOM 224 CB ALA A 16 9.133 19.021 -5.814 1.00 0.00 C ATOM 0 H ALA A 16 7.255 18.132 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 16 8.607 17.168 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.100 19.097 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.391 19.586 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.210 19.428 -4.806 1.00 0.00 H new ATOM 230 N GLN A 17 9.421 16.150 -3.895 1.00 0.00 N ATOM 231 CA GLN A 17 10.355 15.336 -3.124 1.00 0.00 C ATOM 232 C GLN A 17 9.938 13.870 -3.140 1.00 0.00 C ATOM 233 O GLN A 17 10.725 12.987 -2.801 1.00 0.00 O ATOM 234 CB GLN A 17 10.430 15.841 -1.682 1.00 0.00 C ATOM 235 CG GLN A 17 11.000 17.243 -1.558 1.00 0.00 C ATOM 236 CD GLN A 17 12.465 17.311 -1.936 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.344 17.181 -1.085 1.00 0.00 O ATOM 238 NE2 GLN A 17 12.734 17.507 -3.221 1.00 0.00 N ATOM 0 H GLN A 17 8.489 16.223 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 17 11.340 15.420 -3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.430 15.824 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.043 15.155 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.432 17.920 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.876 17.592 -0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.972 17.609 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.702 17.555 -3.538 1.00 0.00 H new ATOM 247 N ARG A 18 8.694 13.622 -3.534 1.00 0.00 N ATOM 248 CA ARG A 18 8.168 12.264 -3.593 1.00 0.00 C ATOM 249 C ARG A 18 8.764 11.509 -4.775 1.00 0.00 C ATOM 250 O ARG A 18 8.719 10.279 -4.828 1.00 0.00 O ATOM 251 CB ARG A 18 6.642 12.292 -3.701 1.00 0.00 C ATOM 252 CG ARG A 18 6.131 13.005 -4.942 1.00 0.00 C ATOM 253 CD ARG A 18 4.614 12.963 -5.024 1.00 0.00 C ATOM 254 NE ARG A 18 4.111 11.601 -5.182 1.00 0.00 N ATOM 255 CZ ARG A 18 2.825 11.276 -5.107 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.913 12.210 -4.875 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.448 10.014 -5.266 1.00 0.00 N ATOM 0 H ARG A 18 8.031 14.344 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 18 8.447 11.746 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.268 11.268 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.233 12.781 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.467 14.042 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.557 12.541 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.190 13.403 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.280 13.572 -5.864 1.00 0.00 H new ATOM 0 HE ARG A 18 4.786 10.857 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.198 13.182 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.927 11.957 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.146 9.292 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.460 9.766 -5.208 1.00 0.00 H new ATOM 271 N LEU A 19 9.322 12.256 -5.721 1.00 0.00 N ATOM 272 CA LEU A 19 9.932 11.667 -6.905 1.00 0.00 C ATOM 273 C LEU A 19 11.257 10.996 -6.556 1.00 0.00 C ATOM 274 O LEU A 19 11.693 10.067 -7.236 1.00 0.00 O ATOM 275 CB LEU A 19 10.148 12.742 -7.973 1.00 0.00 C ATOM 276 CG LEU A 19 10.884 13.998 -7.493 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.390 13.791 -7.543 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.482 15.202 -8.327 1.00 0.00 C ATOM 0 H LEU A 19 9.364 13.275 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 19 9.258 10.906 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.709 12.304 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.177 13.038 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 19 10.600 14.186 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.893 14.694 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.664 12.955 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.694 13.575 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.014 16.085 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.735 15.022 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.408 15.365 -8.236 1.00 0.00 H new ATOM 290 N ASP A 20 11.891 11.475 -5.490 1.00 0.00 N ATOM 291 CA ASP A 20 13.167 10.924 -5.047 1.00 0.00 C ATOM 292 C ASP A 20 12.999 10.178 -3.731 1.00 0.00 C ATOM 293 O ASP A 20 13.859 9.394 -3.336 1.00 0.00 O ATOM 294 CB ASP A 20 14.202 12.037 -4.879 1.00 0.00 C ATOM 295 CG ASP A 20 15.624 11.511 -4.905 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.115 11.074 -3.843 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.247 11.538 -5.987 1.00 0.00 O ATOM 0 H ASP A 20 11.542 12.243 -4.917 1.00 0.00 H new ATOM 0 HA ASP A 20 13.517 10.226 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.074 12.772 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.026 12.554 -3.936 1.00 0.00 H new ATOM 302 N PHE A 21 11.881 10.428 -3.062 1.00 0.00 N ATOM 303 CA PHE A 21 11.590 9.778 -1.793 1.00 0.00 C ATOM 304 C PHE A 21 11.361 8.290 -2.012 1.00 0.00 C ATOM 305 O PHE A 21 11.697 7.464 -1.164 1.00 0.00 O ATOM 306 CB PHE A 21 10.355 10.403 -1.144 1.00 0.00 C ATOM 307 CG PHE A 21 10.308 10.217 0.345 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.726 9.088 0.897 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.848 11.172 1.190 1.00 0.00 C ATOM 310 CE1 PHE A 21 9.685 8.915 2.267 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.809 11.005 2.560 1.00 0.00 C ATOM 312 CZ PHE A 21 10.228 9.875 3.100 1.00 0.00 C ATOM 0 H PHE A 21 11.161 11.077 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 21 12.443 9.916 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.334 11.469 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.460 9.965 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.300 8.335 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.305 12.057 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.229 8.030 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.233 11.758 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.198 9.741 4.171 1.00 0.00 H new ATOM 322 N LEU A 22 10.781 7.960 -3.161 1.00 0.00 N ATOM 323 CA LEU A 22 10.504 6.579 -3.512 1.00 0.00 C ATOM 324 C LEU A 22 11.802 5.788 -3.690 1.00 0.00 C ATOM 325 O LEU A 22 11.987 4.751 -3.058 1.00 0.00 O ATOM 326 CB LEU A 22 9.657 6.521 -4.786 1.00 0.00 C ATOM 327 CG LEU A 22 9.008 5.168 -5.075 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.347 4.617 -3.822 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.997 5.296 -6.202 1.00 0.00 C ATOM 0 H LEU A 22 10.493 8.638 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 22 9.944 6.121 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.873 7.275 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.286 6.793 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 22 9.785 4.470 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.890 3.653 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.097 4.491 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.580 5.312 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.543 4.324 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.222 6.008 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.499 5.648 -7.103 1.00 0.00 H new ATOM 341 N PRO A 23 12.721 6.259 -4.558 1.00 0.00 N ATOM 342 CA PRO A 23 14.000 5.580 -4.782 1.00 0.00 C ATOM 343 C PRO A 23 14.927 5.690 -3.576 1.00 0.00 C ATOM 344 O PRO A 23 15.956 5.018 -3.504 1.00 0.00 O ATOM 345 CB PRO A 23 14.597 6.327 -5.979 1.00 0.00 C ATOM 346 CG PRO A 23 13.972 7.678 -5.933 1.00 0.00 C ATOM 347 CD PRO A 23 12.587 7.471 -5.392 1.00 0.00 C ATOM 0 HA PRO A 23 13.870 4.511 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.683 6.390 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.371 5.818 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.544 8.352 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.941 8.128 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.253 8.327 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.860 7.330 -6.192 1.00 0.00 H new ATOM 355 N THR A 24 14.551 6.545 -2.632 1.00 0.00 N ATOM 356 CA THR A 24 15.348 6.768 -1.432 1.00 0.00 C ATOM 357 C THR A 24 14.950 5.844 -0.277 1.00 0.00 C ATOM 358 O THR A 24 15.813 5.347 0.448 1.00 0.00 O ATOM 359 CB THR A 24 15.229 8.235 -0.969 1.00 0.00 C ATOM 360 OG1 THR A 24 15.978 9.085 -1.846 1.00 0.00 O ATOM 361 CG2 THR A 24 15.729 8.407 0.455 1.00 0.00 C ATOM 0 H THR A 24 13.695 7.098 -2.675 1.00 0.00 H new ATOM 0 HA THR A 24 16.379 6.541 -1.702 1.00 0.00 H new ATOM 0 HB THR A 24 14.175 8.512 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.367 9.538 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.632 9.451 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.138 7.783 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.776 8.110 0.511 1.00 0.00 H new ATOM 369 N TYR A 25 13.653 5.612 -0.105 1.00 0.00 N ATOM 370 CA TYR A 25 13.172 4.766 0.988 1.00 0.00 C ATOM 371 C TYR A 25 12.738 3.385 0.504 1.00 0.00 C ATOM 372 O TYR A 25 12.800 2.412 1.257 1.00 0.00 O ATOM 373 CB TYR A 25 12.015 5.449 1.715 1.00 0.00 C ATOM 374 CG TYR A 25 12.464 6.458 2.749 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.975 7.692 2.368 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.381 6.172 4.106 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.390 8.614 3.311 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.792 7.089 5.055 1.00 0.00 C ATOM 379 CZ TYR A 25 13.296 8.307 4.652 1.00 0.00 C ATOM 380 OH TYR A 25 13.708 9.223 5.594 1.00 0.00 O ATOM 0 H TYR A 25 12.919 5.993 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 25 14.006 4.625 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.381 5.949 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.403 4.690 2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.049 7.935 1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.989 5.217 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.786 9.569 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.719 6.853 6.106 1.00 0.00 H new ATOM 0 HH TYR A 25 13.574 8.852 6.491 1.00 0.00 H new ATOM 390 N PHE A 26 12.301 3.298 -0.745 1.00 0.00 N ATOM 391 CA PHE A 26 11.856 2.030 -1.304 1.00 0.00 C ATOM 392 C PHE A 26 12.953 1.409 -2.159 1.00 0.00 C ATOM 393 O PHE A 26 13.157 0.196 -2.143 1.00 0.00 O ATOM 394 CB PHE A 26 10.591 2.236 -2.139 1.00 0.00 C ATOM 395 CG PHE A 26 9.652 1.063 -2.107 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.104 0.631 -0.910 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.320 0.391 -3.273 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.241 -0.448 -0.876 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.459 -0.689 -3.245 1.00 0.00 C ATOM 400 CZ PHE A 26 7.918 -1.110 -2.044 1.00 0.00 C ATOM 0 H PHE A 26 12.245 4.088 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 26 11.630 1.350 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.067 3.120 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.876 2.435 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.354 1.143 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.739 0.715 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.819 -0.773 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.209 -1.204 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.245 -1.954 -2.020 1.00 0.00 H new ATOM 410 N GLY A 27 13.658 2.255 -2.900 1.00 0.00 N ATOM 411 CA GLY A 27 14.731 1.780 -3.753 1.00 0.00 C ATOM 412 C GLY A 27 14.710 2.432 -5.122 1.00 0.00 C ATOM 413 O GLY A 27 13.642 2.601 -5.710 1.00 0.00 O ATOM 0 H GLY A 27 13.506 3.263 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.689 1.979 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.650 0.699 -3.867 1.00 0.00 H new ATOM 417 N PRO A 28 15.882 2.813 -5.660 1.00 0.00 N ATOM 418 CA PRO A 28 15.972 3.459 -6.974 1.00 0.00 C ATOM 419 C PRO A 28 15.486 2.553 -8.095 1.00 0.00 C ATOM 420 O PRO A 28 15.142 3.022 -9.179 1.00 0.00 O ATOM 421 CB PRO A 28 17.466 3.759 -7.133 1.00 0.00 C ATOM 422 CG PRO A 28 18.149 2.827 -6.192 1.00 0.00 C ATOM 423 CD PRO A 28 17.207 2.643 -5.037 1.00 0.00 C ATOM 0 HA PRO A 28 15.343 4.348 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.794 3.595 -8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.688 4.798 -6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.366 1.874 -6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.101 3.238 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.315 1.659 -4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.382 3.379 -4.252 1.00 0.00 H new ATOM 431 N ARG A 29 15.468 1.254 -7.830 1.00 0.00 N ATOM 432 CA ARG A 29 15.016 0.287 -8.819 1.00 0.00 C ATOM 433 C ARG A 29 13.595 -0.179 -8.522 1.00 0.00 C ATOM 434 O ARG A 29 12.855 -0.550 -9.433 1.00 0.00 O ATOM 435 CB ARG A 29 15.970 -0.912 -8.862 1.00 0.00 C ATOM 436 CG ARG A 29 15.615 -1.940 -9.925 1.00 0.00 C ATOM 437 CD ARG A 29 14.672 -3.003 -9.385 1.00 0.00 C ATOM 438 NE ARG A 29 14.110 -3.830 -10.449 1.00 0.00 N ATOM 439 CZ ARG A 29 14.591 -5.021 -10.791 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.644 -5.521 -10.160 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.020 -5.712 -11.769 1.00 0.00 N ATOM 0 H ARG A 29 15.760 0.847 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 29 15.015 0.775 -9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.983 -0.552 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.972 -1.398 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.151 -1.440 -10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.526 -2.414 -10.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.208 -3.637 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.863 -2.523 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 29 13.302 -3.473 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.088 -4.992 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.011 -6.435 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.211 -5.329 -12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.390 -6.626 -12.031 1.00 0.00 H new ATOM 455 N LEU A 30 13.208 -0.163 -7.248 1.00 0.00 N ATOM 456 CA LEU A 30 11.876 -0.597 -6.843 1.00 0.00 C ATOM 457 C LEU A 30 10.809 0.441 -7.166 1.00 0.00 C ATOM 458 O LEU A 30 9.672 0.093 -7.464 1.00 0.00 O ATOM 459 CB LEU A 30 11.861 -0.876 -5.336 1.00 0.00 C ATOM 460 CG LEU A 30 12.526 -2.184 -4.898 1.00 0.00 C ATOM 461 CD1 LEU A 30 14.019 -2.151 -5.184 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.272 -2.433 -3.419 1.00 0.00 C ATOM 0 H LEU A 30 13.801 0.147 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 30 11.645 -1.503 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.356 -0.049 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.825 -0.885 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 30 12.089 -3.002 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.471 -3.090 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.182 -2.015 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.476 -1.325 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.750 -3.366 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.685 -1.610 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.199 -2.502 -3.241 1.00 0.00 H new ATOM 474 N MET A 31 11.184 1.711 -7.088 1.00 0.00 N ATOM 475 CA MET A 31 10.264 2.820 -7.343 1.00 0.00 C ATOM 476 C MET A 31 9.198 2.506 -8.396 1.00 0.00 C ATOM 477 O MET A 31 8.041 2.886 -8.229 1.00 0.00 O ATOM 478 CB MET A 31 11.048 4.064 -7.759 1.00 0.00 C ATOM 479 CG MET A 31 12.326 3.749 -8.518 1.00 0.00 C ATOM 480 SD MET A 31 12.897 5.131 -9.526 1.00 0.00 S ATOM 481 CE MET A 31 11.526 5.309 -10.665 1.00 0.00 C ATOM 0 H MET A 31 12.131 2.005 -6.847 1.00 0.00 H new ATOM 0 HA MET A 31 9.734 2.997 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.412 4.694 -8.380 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.296 4.642 -6.869 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.107 3.475 -7.808 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.159 2.883 -9.158 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.886 5.727 -11.605 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.077 4.333 -10.850 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.779 5.976 -10.234 1.00 0.00 H new ATOM 491 N MET A 32 9.573 1.820 -9.470 1.00 0.00 N ATOM 492 CA MET A 32 8.617 1.502 -10.526 1.00 0.00 C ATOM 493 C MET A 32 8.063 0.088 -10.384 1.00 0.00 C ATOM 494 O MET A 32 6.874 -0.142 -10.602 1.00 0.00 O ATOM 495 CB MET A 32 9.256 1.676 -11.904 1.00 0.00 C ATOM 496 CG MET A 32 10.457 0.780 -12.144 1.00 0.00 C ATOM 497 SD MET A 32 11.983 1.470 -11.475 1.00 0.00 S ATOM 498 CE MET A 32 13.202 0.404 -12.242 1.00 0.00 C ATOM 0 H MET A 32 10.520 1.477 -9.632 1.00 0.00 H new ATOM 0 HA MET A 32 7.785 2.200 -10.427 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.506 1.474 -12.669 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.561 2.716 -12.023 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.274 -0.195 -11.691 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.576 0.617 -13.215 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.198 0.683 -11.897 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.001 -0.632 -11.971 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.150 0.512 -13.325 1.00 0.00 H new ATOM 508 N ARG A 33 8.922 -0.859 -10.020 1.00 0.00 N ATOM 509 CA ARG A 33 8.490 -2.241 -9.863 1.00 0.00 C ATOM 510 C ARG A 33 7.617 -2.396 -8.623 1.00 0.00 C ATOM 511 O ARG A 33 6.984 -3.433 -8.425 1.00 0.00 O ATOM 512 CB ARG A 33 9.694 -3.186 -9.786 1.00 0.00 C ATOM 513 CG ARG A 33 10.412 -3.156 -8.448 1.00 0.00 C ATOM 514 CD ARG A 33 11.564 -4.146 -8.412 1.00 0.00 C ATOM 515 NE ARG A 33 11.128 -5.508 -8.706 1.00 0.00 N ATOM 516 CZ ARG A 33 11.895 -6.581 -8.539 1.00 0.00 C ATOM 517 NH1 ARG A 33 13.132 -6.452 -8.078 1.00 0.00 N ATOM 518 NH2 ARG A 33 11.425 -7.785 -8.835 1.00 0.00 N ATOM 0 H ARG A 33 9.911 -0.696 -9.830 1.00 0.00 H new ATOM 0 HA ARG A 33 7.899 -2.508 -10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.359 -4.204 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.401 -2.924 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.789 -2.151 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.707 -3.388 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.323 -3.845 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.033 -4.120 -7.428 1.00 0.00 H new ATOM 0 HE ARG A 33 10.181 -5.644 -9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.498 -5.527 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.718 -7.277 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.475 -7.888 -9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.014 -8.608 -8.707 1.00 0.00 H new ATOM 532 N GLY A 34 7.586 -1.359 -7.788 1.00 0.00 N ATOM 533 CA GLY A 34 6.781 -1.400 -6.584 1.00 0.00 C ATOM 534 C GLY A 34 5.517 -0.581 -6.726 1.00 0.00 C ATOM 535 O GLY A 34 4.436 -1.020 -6.332 1.00 0.00 O ATOM 0 H GLY A 34 8.105 -0.492 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.521 -2.434 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.365 -1.025 -5.743 1.00 0.00 H new ATOM 539 N GLU A 35 5.652 0.617 -7.291 1.00 0.00 N ATOM 540 CA GLU A 35 4.507 1.492 -7.497 1.00 0.00 C ATOM 541 C GLU A 35 3.487 0.806 -8.393 1.00 0.00 C ATOM 542 O GLU A 35 2.279 0.938 -8.194 1.00 0.00 O ATOM 543 CB GLU A 35 4.944 2.822 -8.119 1.00 0.00 C ATOM 544 CG GLU A 35 5.414 2.699 -9.561 1.00 0.00 C ATOM 545 CD GLU A 35 5.778 4.039 -10.174 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.865 4.734 -10.666 1.00 0.00 O ATOM 547 OE2 GLU A 35 6.976 4.391 -10.160 1.00 0.00 O ATOM 0 H GLU A 35 6.541 1.000 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 35 4.052 1.701 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.111 3.524 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.749 3.246 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.280 2.038 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.629 2.233 -10.156 1.00 0.00 H new ATOM 554 N ALA A 36 3.986 0.071 -9.384 1.00 0.00 N ATOM 555 CA ALA A 36 3.118 -0.648 -10.308 1.00 0.00 C ATOM 556 C ALA A 36 2.513 -1.880 -9.640 1.00 0.00 C ATOM 557 O ALA A 36 1.518 -2.430 -10.111 1.00 0.00 O ATOM 558 CB ALA A 36 3.891 -1.048 -11.555 1.00 0.00 C ATOM 0 H ALA A 36 4.983 -0.041 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 36 2.304 0.016 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.230 -1.584 -12.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.273 -0.154 -12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.724 -1.693 -11.275 1.00 0.00 H new ATOM 564 N LEU A 37 3.128 -2.312 -8.543 1.00 0.00 N ATOM 565 CA LEU A 37 2.656 -3.480 -7.808 1.00 0.00 C ATOM 566 C LEU A 37 1.497 -3.133 -6.879 1.00 0.00 C ATOM 567 O LEU A 37 0.564 -3.918 -6.723 1.00 0.00 O ATOM 568 CB LEU A 37 3.800 -4.087 -6.996 1.00 0.00 C ATOM 569 CG LEU A 37 4.326 -5.422 -7.521 1.00 0.00 C ATOM 570 CD1 LEU A 37 5.652 -5.767 -6.862 1.00 0.00 C ATOM 571 CD2 LEU A 37 3.308 -6.526 -7.287 1.00 0.00 C ATOM 0 H LEU A 37 3.956 -1.870 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 37 2.297 -4.205 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.624 -3.374 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.463 -4.225 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 37 4.490 -5.330 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.012 -6.721 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.381 -4.988 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.514 -5.840 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.700 -7.469 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.111 -6.619 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.381 -6.283 -7.807 1.00 0.00 H new ATOM 583 N VAL A 38 1.552 -1.953 -6.272 1.00 0.00 N ATOM 584 CA VAL A 38 0.503 -1.529 -5.351 1.00 0.00 C ATOM 585 C VAL A 38 -0.789 -1.219 -6.098 1.00 0.00 C ATOM 586 O VAL A 38 -1.882 -1.516 -5.616 1.00 0.00 O ATOM 587 CB VAL A 38 0.930 -0.300 -4.524 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.321 -0.513 -3.950 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.882 0.969 -5.360 1.00 0.00 C ATOM 0 H VAL A 38 2.305 -1.277 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 38 0.329 -2.360 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 38 0.225 -0.181 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.612 0.361 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.318 -1.393 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.032 -0.660 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.188 1.819 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.557 0.871 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.134 1.129 -5.721 1.00 0.00 H new ATOM 599 N TYR A 39 -0.656 -0.621 -7.277 1.00 0.00 N ATOM 600 CA TYR A 39 -1.814 -0.279 -8.093 1.00 0.00 C ATOM 601 C TYR A 39 -2.363 -1.520 -8.794 1.00 0.00 C ATOM 602 O TYR A 39 -3.553 -1.598 -9.094 1.00 0.00 O ATOM 603 CB TYR A 39 -1.438 0.798 -9.118 1.00 0.00 C ATOM 604 CG TYR A 39 -1.414 0.312 -10.552 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.281 -0.290 -11.081 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.526 0.456 -11.373 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.254 -0.736 -12.389 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.507 0.013 -12.682 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.369 -0.582 -13.185 1.00 0.00 C ATOM 610 OH TYR A 39 -1.347 -1.026 -14.487 1.00 0.00 O ATOM 0 H TYR A 39 0.241 -0.364 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.594 0.116 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.147 1.622 -9.038 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.455 1.196 -8.865 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.594 -0.412 -10.460 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.419 0.921 -10.982 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.636 -1.203 -12.785 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.379 0.132 -13.308 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.212 -0.843 -14.910 1.00 0.00 H new ATOM 620 N ALA A 40 -1.483 -2.485 -9.051 1.00 0.00 N ATOM 621 CA ALA A 40 -1.875 -3.721 -9.717 1.00 0.00 C ATOM 622 C ALA A 40 -2.963 -4.445 -8.933 1.00 0.00 C ATOM 623 O ALA A 40 -3.879 -5.026 -9.515 1.00 0.00 O ATOM 624 CB ALA A 40 -0.666 -4.626 -9.905 1.00 0.00 C ATOM 0 H ALA A 40 -0.494 -2.433 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.279 -3.465 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.974 -5.545 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.080 -4.115 -10.514 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.237 -4.867 -8.932 1.00 0.00 H new ATOM 630 N TRP A 41 -2.855 -4.406 -7.609 1.00 0.00 N ATOM 631 CA TRP A 41 -3.830 -5.056 -6.743 1.00 0.00 C ATOM 632 C TRP A 41 -5.058 -4.172 -6.552 1.00 0.00 C ATOM 633 O TRP A 41 -6.175 -4.668 -6.412 1.00 0.00 O ATOM 634 CB TRP A 41 -3.205 -5.377 -5.382 1.00 0.00 C ATOM 635 CG TRP A 41 -2.169 -6.459 -5.434 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.829 -6.305 -5.651 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.387 -7.865 -5.260 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.202 -7.526 -5.621 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.137 -8.499 -5.383 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.518 -8.647 -5.009 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.987 -9.879 -5.267 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.368 -10.017 -4.894 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.110 -10.620 -5.021 1.00 0.00 C ATOM 0 H TRP A 41 -2.101 -3.931 -7.113 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.140 -5.985 -7.221 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.752 -4.472 -4.978 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.994 -5.675 -4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.335 -5.360 -5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.797 -7.683 -5.754 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.491 -8.190 -4.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.019 -10.347 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.235 -10.632 -4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.025 -11.692 -4.923 1.00 0.00 H new ATOM 654 N MET A 42 -4.842 -2.860 -6.555 1.00 0.00 N ATOM 655 CA MET A 42 -5.927 -1.898 -6.371 1.00 0.00 C ATOM 656 C MET A 42 -6.946 -1.969 -7.509 1.00 0.00 C ATOM 657 O MET A 42 -8.145 -2.103 -7.266 1.00 0.00 O ATOM 658 CB MET A 42 -5.361 -0.479 -6.269 1.00 0.00 C ATOM 659 CG MET A 42 -6.428 0.603 -6.246 1.00 0.00 C ATOM 660 SD MET A 42 -7.681 0.325 -4.979 1.00 0.00 S ATOM 661 CE MET A 42 -6.713 0.533 -3.488 1.00 0.00 C ATOM 0 H MET A 42 -3.923 -2.436 -6.683 1.00 0.00 H new ATOM 0 HA MET A 42 -6.441 -2.154 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.758 -0.402 -5.364 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.694 -0.302 -7.113 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.954 1.570 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.910 0.652 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.610 -0.428 -2.984 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.725 0.915 -3.746 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.213 1.239 -2.825 1.00 0.00 H new ATOM 671 N ARG A 43 -6.466 -1.875 -8.745 1.00 0.00 N ATOM 672 CA ARG A 43 -7.341 -1.914 -9.914 1.00 0.00 C ATOM 673 C ARG A 43 -8.127 -3.220 -9.988 1.00 0.00 C ATOM 674 O ARG A 43 -9.148 -3.299 -10.672 1.00 0.00 O ATOM 675 CB ARG A 43 -6.519 -1.718 -11.192 1.00 0.00 C ATOM 676 CG ARG A 43 -5.403 -2.738 -11.367 1.00 0.00 C ATOM 677 CD ARG A 43 -5.888 -3.983 -12.092 1.00 0.00 C ATOM 678 NE ARG A 43 -6.321 -3.688 -13.455 1.00 0.00 N ATOM 679 CZ ARG A 43 -6.932 -4.567 -14.243 1.00 0.00 C ATOM 680 NH1 ARG A 43 -7.191 -5.791 -13.803 1.00 0.00 N ATOM 681 NH2 ARG A 43 -7.289 -4.220 -15.472 1.00 0.00 N ATOM 0 H ARG A 43 -5.475 -1.771 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.061 -1.101 -9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.185 -1.771 -12.053 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.086 -0.718 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.583 -2.288 -11.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.008 -3.016 -10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.088 -4.722 -12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.714 -4.427 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.144 -2.754 -13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.921 -6.061 -12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.660 -6.463 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.095 -3.278 -15.813 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.758 -4.895 -16.077 1.00 0.00 H new ATOM 695 N ARG A 44 -7.651 -4.240 -9.284 1.00 0.00 N ATOM 696 CA ARG A 44 -8.316 -5.540 -9.279 1.00 0.00 C ATOM 697 C ARG A 44 -9.446 -5.575 -8.251 1.00 0.00 C ATOM 698 O ARG A 44 -10.381 -6.367 -8.368 1.00 0.00 O ATOM 699 CB ARG A 44 -7.304 -6.650 -8.988 1.00 0.00 C ATOM 700 CG ARG A 44 -6.288 -6.849 -10.100 1.00 0.00 C ATOM 701 CD ARG A 44 -5.384 -8.040 -9.825 1.00 0.00 C ATOM 702 NE ARG A 44 -6.121 -9.300 -9.829 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.539 -10.495 -9.799 1.00 0.00 C ATOM 704 NH1 ARG A 44 -4.217 -10.592 -9.760 1.00 0.00 N ATOM 705 NH2 ARG A 44 -6.280 -11.595 -9.807 1.00 0.00 N ATOM 0 H ARG A 44 -6.809 -4.194 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.749 -5.703 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.777 -6.417 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.839 -7.585 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.808 -6.997 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.683 -5.949 -10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.597 -8.079 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.896 -7.909 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.140 -9.261 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.644 -9.748 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.773 -11.510 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.297 -11.525 -9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.833 -12.511 -9.784 1.00 0.00 H new ATOM 719 N LEU A 45 -9.352 -4.706 -7.251 1.00 0.00 N ATOM 720 CA LEU A 45 -10.358 -4.636 -6.197 1.00 0.00 C ATOM 721 C LEU A 45 -11.678 -4.077 -6.723 1.00 0.00 C ATOM 722 O LEU A 45 -12.745 -4.397 -6.201 1.00 0.00 O ATOM 723 CB LEU A 45 -9.865 -3.770 -5.042 1.00 0.00 C ATOM 724 CG LEU A 45 -8.434 -4.043 -4.580 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.019 -3.042 -3.513 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.301 -5.466 -4.060 1.00 0.00 C ATOM 0 H LEU A 45 -8.588 -4.039 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.528 -5.652 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.939 -2.724 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.535 -3.910 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.769 -3.929 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.997 -3.251 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.073 -2.032 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.689 -3.124 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.275 -5.641 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.977 -5.610 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.555 -6.169 -4.854 1.00 0.00 H new ATOM 738 N CYS A 46 -11.602 -3.245 -7.755 1.00 0.00 N ATOM 739 CA CYS A 46 -12.797 -2.648 -8.344 1.00 0.00 C ATOM 740 C CYS A 46 -12.797 -2.821 -9.861 1.00 0.00 C ATOM 741 O CYS A 46 -11.768 -2.651 -10.513 1.00 0.00 O ATOM 742 CB CYS A 46 -12.883 -1.162 -7.990 1.00 0.00 C ATOM 743 SG CYS A 46 -14.317 -0.315 -8.693 1.00 0.00 S ATOM 0 H CYS A 46 -10.728 -2.968 -8.201 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.667 -3.161 -7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.910 -1.059 -6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.976 -0.665 -8.335 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.169 -0.047 -7.748 1.00 0.00 H new ATOM 749 N GLU A 47 -13.958 -3.158 -10.415 1.00 0.00 N ATOM 750 CA GLU A 47 -14.093 -3.353 -11.855 1.00 0.00 C ATOM 751 C GLU A 47 -14.137 -2.011 -12.575 1.00 0.00 C ATOM 752 O GLU A 47 -13.795 -1.911 -13.752 1.00 0.00 O ATOM 753 CB GLU A 47 -15.359 -4.153 -12.165 1.00 0.00 C ATOM 754 CG GLU A 47 -16.632 -3.485 -11.671 1.00 0.00 C ATOM 755 CD GLU A 47 -17.875 -4.299 -11.975 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.225 -5.175 -11.156 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.497 -4.061 -13.031 1.00 0.00 O ATOM 0 H GLU A 47 -14.819 -3.302 -9.888 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.226 -3.911 -12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.431 -4.302 -13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.276 -5.140 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.560 -3.327 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.724 -2.502 -12.133 1.00 0.00 H new ATOM 764 N ARG A 48 -14.562 -0.982 -11.851 1.00 0.00 N ATOM 765 CA ARG A 48 -14.649 0.363 -12.402 1.00 0.00 C ATOM 766 C ARG A 48 -13.571 1.248 -11.790 1.00 0.00 C ATOM 767 O ARG A 48 -13.843 2.361 -11.340 1.00 0.00 O ATOM 768 CB ARG A 48 -16.033 0.959 -12.134 1.00 0.00 C ATOM 769 CG ARG A 48 -17.172 0.154 -12.740 1.00 0.00 C ATOM 770 CD ARG A 48 -18.524 0.761 -12.404 1.00 0.00 C ATOM 771 NE ARG A 48 -18.642 2.134 -12.885 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.489 3.023 -12.375 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.287 2.685 -11.371 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.538 4.254 -12.868 1.00 0.00 N ATOM 0 H ARG A 48 -14.853 -1.056 -10.876 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.495 0.310 -13.480 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.185 1.033 -11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.065 1.974 -12.531 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.051 0.109 -13.822 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.131 -0.871 -12.372 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.314 0.153 -12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.672 0.741 -11.324 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.041 2.428 -13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.252 1.740 -10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.936 3.370 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.925 4.519 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.188 4.935 -12.476 1.00 0.00 H new ATOM 788 N TYR A 49 -12.343 0.742 -11.785 1.00 0.00 N ATOM 789 CA TYR A 49 -11.218 1.469 -11.219 1.00 0.00 C ATOM 790 C TYR A 49 -10.202 1.838 -12.295 1.00 0.00 C ATOM 791 O TYR A 49 -9.362 1.022 -12.675 1.00 0.00 O ATOM 792 CB TYR A 49 -10.543 0.623 -10.141 1.00 0.00 C ATOM 793 CG TYR A 49 -9.908 1.439 -9.043 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.750 2.168 -9.272 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.472 1.479 -7.778 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.171 2.917 -8.266 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.900 2.224 -6.767 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.750 2.942 -7.015 1.00 0.00 C ATOM 799 OH TYR A 49 -8.176 3.687 -6.009 1.00 0.00 O ATOM 0 H TYR A 49 -12.103 -0.172 -12.168 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.598 2.390 -10.777 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.281 -0.049 -9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.780 -0.002 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.295 2.150 -10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.374 0.918 -7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.270 3.480 -8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.351 2.244 -5.786 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.797 3.087 -5.333 1.00 0.00 H new ATOM 809 N ASN A 50 -10.289 3.069 -12.786 1.00 0.00 N ATOM 810 CA ASN A 50 -9.371 3.548 -13.815 1.00 0.00 C ATOM 811 C ASN A 50 -7.987 3.810 -13.228 1.00 0.00 C ATOM 812 O ASN A 50 -6.985 3.288 -13.720 1.00 0.00 O ATOM 813 CB ASN A 50 -9.915 4.826 -14.459 1.00 0.00 C ATOM 814 CG ASN A 50 -11.246 4.608 -15.154 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.442 3.415 -15.704 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.087 5.507 -15.200 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.985 3.753 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.283 2.774 -14.578 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.030 5.593 -13.694 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.190 5.202 -15.181 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.894 6.409 -14.764 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.976 5.350 -15.674 1.00 0.00 H new ATOM 823 N GLY A 51 -7.940 4.620 -12.176 1.00 0.00 N ATOM 824 CA GLY A 51 -6.676 4.940 -11.537 1.00 0.00 C ATOM 825 C GLY A 51 -6.794 6.103 -10.570 1.00 0.00 C ATOM 826 O GLY A 51 -7.896 6.587 -10.309 1.00 0.00 O ATOM 0 H GLY A 51 -8.756 5.062 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.310 4.063 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.936 5.180 -12.301 1.00 0.00 H new ATOM 830 N ALA A 52 -5.659 6.552 -10.040 1.00 0.00 N ATOM 831 CA ALA A 52 -5.644 7.665 -9.097 1.00 0.00 C ATOM 832 C ALA A 52 -4.219 8.060 -8.732 1.00 0.00 C ATOM 833 O ALA A 52 -3.257 7.432 -9.171 1.00 0.00 O ATOM 834 CB ALA A 52 -6.424 7.305 -7.843 1.00 0.00 C ATOM 0 H ALA A 52 -4.740 6.162 -10.248 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.119 8.519 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.404 8.145 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.456 7.079 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.971 6.433 -7.371 1.00 0.00 H new ATOM 840 N TYR A 53 -4.093 9.108 -7.923 1.00 0.00 N ATOM 841 CA TYR A 53 -2.787 9.585 -7.491 1.00 0.00 C ATOM 842 C TYR A 53 -2.385 8.934 -6.175 1.00 0.00 C ATOM 843 O TYR A 53 -2.766 9.394 -5.100 1.00 0.00 O ATOM 844 CB TYR A 53 -2.795 11.105 -7.343 1.00 0.00 C ATOM 845 CG TYR A 53 -2.524 11.836 -8.638 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.335 11.639 -9.327 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.454 12.720 -9.170 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.079 12.303 -10.513 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.206 13.387 -10.354 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.018 13.176 -11.021 1.00 0.00 C ATOM 851 OH TYR A 53 -1.767 13.838 -12.201 1.00 0.00 O ATOM 0 H TYR A 53 -4.880 9.642 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.056 9.310 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.763 11.419 -6.953 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.045 11.395 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.598 10.956 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.385 12.888 -8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.150 12.139 -11.038 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.939 14.071 -10.755 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.529 14.414 -12.421 1.00 0.00 H new ATOM 861 N TRP A 54 -1.625 7.852 -6.274 1.00 0.00 N ATOM 862 CA TRP A 54 -1.166 7.124 -5.096 1.00 0.00 C ATOM 863 C TRP A 54 -0.127 7.934 -4.325 1.00 0.00 C ATOM 864 O TRP A 54 1.077 7.707 -4.453 1.00 0.00 O ATOM 865 CB TRP A 54 -0.585 5.769 -5.509 1.00 0.00 C ATOM 866 CG TRP A 54 -1.244 5.194 -6.728 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.559 4.848 -6.870 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.617 4.904 -7.984 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.785 4.358 -8.132 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.608 4.382 -8.835 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.688 5.033 -8.468 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.336 3.992 -10.145 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.956 4.647 -9.768 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.051 4.132 -10.592 1.00 0.00 C ATOM 0 H TRP A 54 -1.312 7.457 -7.161 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.021 6.958 -4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.483 5.881 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.690 5.068 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.311 4.946 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.682 4.030 -8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.472 5.427 -7.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.111 3.594 -10.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.960 4.745 -10.154 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.192 3.839 -11.603 1.00 0.00 H new ATOM 885 N HIS A 55 -0.611 8.890 -3.538 1.00 0.00 N ATOM 886 CA HIS A 55 0.253 9.752 -2.740 1.00 0.00 C ATOM 887 C HIS A 55 1.254 8.939 -1.932 1.00 0.00 C ATOM 888 O HIS A 55 0.892 7.966 -1.269 1.00 0.00 O ATOM 889 CB HIS A 55 -0.583 10.617 -1.794 1.00 0.00 C ATOM 890 CG HIS A 55 -1.586 11.479 -2.493 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.292 12.737 -2.976 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.890 11.262 -2.784 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.371 13.256 -3.533 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.353 12.380 -3.430 1.00 0.00 N ATOM 0 H HIS A 55 -1.606 9.088 -3.436 1.00 0.00 H new ATOM 0 HA HIS A 55 0.803 10.393 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.103 9.969 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.085 11.252 -1.211 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.383 13.195 -2.913 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.460 10.374 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.438 14.230 -3.994 1.00 0.00 H new ATOM 903 N TYR A 56 2.513 9.347 -1.996 1.00 0.00 N ATOM 904 CA TYR A 56 3.573 8.671 -1.262 1.00 0.00 C ATOM 905 C TYR A 56 3.575 9.125 0.192 1.00 0.00 C ATOM 906 O TYR A 56 3.519 10.322 0.477 1.00 0.00 O ATOM 907 CB TYR A 56 4.930 8.951 -1.914 1.00 0.00 C ATOM 908 CG TYR A 56 5.044 8.443 -3.339 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.227 7.419 -3.805 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.973 8.989 -4.217 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.332 6.957 -5.104 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.083 8.532 -5.516 1.00 0.00 C ATOM 913 CZ TYR A 56 5.260 7.516 -5.954 1.00 0.00 C ATOM 914 OH TYR A 56 5.366 7.058 -7.248 1.00 0.00 O ATOM 0 H TYR A 56 2.826 10.144 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 56 3.392 7.597 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.111 10.026 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.713 8.492 -1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.498 6.977 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.620 9.784 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.689 6.161 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.810 8.968 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 56 6.067 7.558 -7.716 1.00 0.00 H new ATOM 924 N TYR A 57 3.639 8.168 1.114 1.00 0.00 N ATOM 925 CA TYR A 57 3.627 8.489 2.537 1.00 0.00 C ATOM 926 C TYR A 57 4.909 8.048 3.230 1.00 0.00 C ATOM 927 O TYR A 57 5.452 6.982 2.945 1.00 0.00 O ATOM 928 CB TYR A 57 2.417 7.849 3.215 1.00 0.00 C ATOM 929 CG TYR A 57 1.134 8.618 3.000 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.751 9.620 3.882 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.307 8.346 1.917 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.418 10.329 3.693 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.865 9.052 1.720 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.223 10.042 2.610 1.00 0.00 C ATOM 935 OH TYR A 57 -2.389 10.747 2.417 1.00 0.00 O ATOM 0 H TYR A 57 3.699 7.172 0.903 1.00 0.00 H new ATOM 0 HA TYR A 57 3.559 9.573 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.292 6.834 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.609 7.769 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.379 9.848 4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.584 7.571 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.701 11.104 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.497 8.829 0.873 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.838 10.422 1.609 1.00 0.00 H new ATOM 945 N ALA A 58 5.379 8.883 4.153 1.00 0.00 N ATOM 946 CA ALA A 58 6.594 8.600 4.902 1.00 0.00 C ATOM 947 C ALA A 58 6.269 8.129 6.314 1.00 0.00 C ATOM 948 O ALA A 58 5.892 8.925 7.174 1.00 0.00 O ATOM 949 CB ALA A 58 7.480 9.835 4.951 1.00 0.00 C ATOM 0 H ALA A 58 4.931 9.766 4.399 1.00 0.00 H new ATOM 0 HA ALA A 58 7.129 7.799 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.386 9.611 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.747 10.132 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.943 10.649 5.437 1.00 0.00 H new ATOM 955 N LEU A 59 6.415 6.830 6.543 1.00 0.00 N ATOM 956 CA LEU A 59 6.139 6.250 7.850 1.00 0.00 C ATOM 957 C LEU A 59 7.362 6.348 8.758 1.00 0.00 C ATOM 958 O LEU A 59 8.498 6.385 8.284 1.00 0.00 O ATOM 959 CB LEU A 59 5.704 4.792 7.693 1.00 0.00 C ATOM 960 CG LEU A 59 4.207 4.591 7.456 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.941 3.214 6.869 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.432 4.779 8.751 1.00 0.00 C ATOM 0 H LEU A 59 6.723 6.158 5.840 1.00 0.00 H new ATOM 0 HA LEU A 59 5.329 6.813 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.252 4.352 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.992 4.243 8.589 1.00 0.00 H new ATOM 0 HG LEU A 59 3.868 5.341 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.870 3.088 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.466 3.116 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.296 2.449 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.368 4.632 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.774 4.053 9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.598 5.787 9.131 1.00 0.00 H new ATOM 974 N SER A 60 7.120 6.396 10.064 1.00 0.00 N ATOM 975 CA SER A 60 8.198 6.503 11.042 1.00 0.00 C ATOM 976 C SER A 60 9.116 5.286 10.992 1.00 0.00 C ATOM 977 O SER A 60 10.306 5.383 11.292 1.00 0.00 O ATOM 978 CB SER A 60 7.622 6.662 12.450 1.00 0.00 C ATOM 979 OG SER A 60 6.831 7.834 12.549 1.00 0.00 O ATOM 0 H SER A 60 6.185 6.362 10.471 1.00 0.00 H new ATOM 0 HA SER A 60 8.788 7.385 10.792 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.018 5.790 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.434 6.705 13.176 1.00 0.00 H new ATOM 0 HG SER A 60 6.473 7.911 13.458 1.00 0.00 H new ATOM 985 N ASP A 61 8.559 4.141 10.611 1.00 0.00 N ATOM 986 CA ASP A 61 9.335 2.909 10.526 1.00 0.00 C ATOM 987 C ASP A 61 9.974 2.756 9.151 1.00 0.00 C ATOM 988 O ASP A 61 10.575 1.725 8.847 1.00 0.00 O ATOM 989 CB ASP A 61 8.450 1.698 10.826 1.00 0.00 C ATOM 990 CG ASP A 61 8.055 1.610 12.287 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.681 2.307 13.114 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.124 0.841 12.605 1.00 0.00 O ATOM 0 H ASP A 61 7.576 4.041 10.357 1.00 0.00 H new ATOM 0 HA ASP A 61 10.129 2.963 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.550 1.750 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.978 0.788 10.541 1.00 0.00 H new ATOM 997 N GLY A 62 9.844 3.787 8.324 1.00 0.00 N ATOM 998 CA GLY A 62 10.415 3.744 6.991 1.00 0.00 C ATOM 999 C GLY A 62 9.671 2.797 6.072 1.00 0.00 C ATOM 1000 O GLY A 62 10.112 2.535 4.953 1.00 0.00 O ATOM 0 H GLY A 62 9.354 4.652 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.403 4.746 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.459 3.437 7.056 1.00 0.00 H new ATOM 1004 N GLY A 63 8.542 2.280 6.547 1.00 0.00 N ATOM 1005 CA GLY A 63 7.751 1.362 5.747 1.00 0.00 C ATOM 1006 C GLY A 63 7.317 1.974 4.430 1.00 0.00 C ATOM 1007 O GLY A 63 7.464 1.356 3.375 1.00 0.00 O ATOM 0 H GLY A 63 8.161 2.480 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.332 0.460 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.870 1.058 6.312 1.00 0.00 H new ATOM 1011 N PHE A 64 6.785 3.193 4.496 1.00 0.00 N ATOM 1012 CA PHE A 64 6.325 3.906 3.308 1.00 0.00 C ATOM 1013 C PHE A 64 5.174 3.171 2.632 1.00 0.00 C ATOM 1014 O PHE A 64 5.312 2.017 2.224 1.00 0.00 O ATOM 1015 CB PHE A 64 7.482 4.096 2.321 1.00 0.00 C ATOM 1016 CG PHE A 64 7.080 4.715 1.012 1.00 0.00 C ATOM 1017 CD1 PHE A 64 6.536 3.941 -0.001 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.250 6.072 0.795 1.00 0.00 C ATOM 1019 CE1 PHE A 64 6.168 4.509 -1.204 1.00 0.00 C ATOM 1020 CE2 PHE A 64 6.885 6.645 -0.406 1.00 0.00 C ATOM 1021 CZ PHE A 64 6.342 5.863 -1.407 1.00 0.00 C ATOM 0 H PHE A 64 6.662 3.710 5.367 1.00 0.00 H new ATOM 0 HA PHE A 64 5.962 4.884 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.243 4.721 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.941 3.127 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.398 2.881 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.673 6.689 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.745 3.895 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.024 7.704 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.054 6.310 -2.347 1.00 0.00 H new ATOM 1031 N TYR A 65 4.038 3.848 2.514 1.00 0.00 N ATOM 1032 CA TYR A 65 2.868 3.259 1.871 1.00 0.00 C ATOM 1033 C TYR A 65 2.239 4.239 0.879 1.00 0.00 C ATOM 1034 O TYR A 65 2.289 5.453 1.072 1.00 0.00 O ATOM 1035 CB TYR A 65 1.842 2.816 2.920 1.00 0.00 C ATOM 1036 CG TYR A 65 0.820 3.871 3.283 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.068 4.794 4.292 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.397 3.938 2.616 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.131 5.755 4.624 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.337 4.897 2.942 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.068 5.802 3.946 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.002 6.758 4.274 1.00 0.00 O ATOM 0 H TYR A 65 3.901 4.800 2.853 1.00 0.00 H new ATOM 0 HA TYR A 65 3.193 2.379 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.319 1.934 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.372 2.515 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.007 4.760 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.612 3.229 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.338 6.465 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.278 4.937 2.413 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.895 7.535 3.686 1.00 0.00 H new ATOM 1052 N MET A 66 1.651 3.696 -0.183 1.00 0.00 N ATOM 1053 CA MET A 66 1.013 4.508 -1.217 1.00 0.00 C ATOM 1054 C MET A 66 -0.506 4.440 -1.102 1.00 0.00 C ATOM 1055 O MET A 66 -1.078 3.365 -0.920 1.00 0.00 O ATOM 1056 CB MET A 66 1.447 4.028 -2.604 1.00 0.00 C ATOM 1057 CG MET A 66 2.939 4.167 -2.858 1.00 0.00 C ATOM 1058 SD MET A 66 3.493 3.220 -4.291 1.00 0.00 S ATOM 1059 CE MET A 66 2.453 3.900 -5.581 1.00 0.00 C ATOM 0 H MET A 66 1.603 2.691 -0.351 1.00 0.00 H new ATOM 0 HA MET A 66 1.326 5.543 -1.077 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.163 2.982 -2.723 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.904 4.594 -3.361 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.181 5.219 -3.007 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.486 3.836 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.656 3.387 -6.521 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.405 3.765 -5.313 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.664 4.963 -5.696 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.154 5.596 -1.207 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.610 5.666 -1.117 1.00 0.00 C ATOM 1071 C ALA A 67 -3.203 6.474 -2.271 1.00 0.00 C ATOM 1072 O ALA A 67 -2.841 7.633 -2.473 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.027 6.268 0.216 1.00 0.00 C ATOM 0 H ALA A 67 -0.696 6.495 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.998 4.650 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.115 6.314 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.649 5.648 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.616 7.274 0.306 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.128 5.871 -3.044 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.775 6.547 -4.176 1.00 0.00 C ATOM 1081 C PRO A 68 -5.532 7.794 -3.732 1.00 0.00 C ATOM 1082 O PRO A 68 -5.792 7.980 -2.543 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.743 5.495 -4.730 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.240 4.191 -4.211 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.612 4.491 -2.881 1.00 0.00 C ATOM 0 HA PRO A 68 -4.051 6.893 -4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.763 5.684 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.756 5.507 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.053 3.473 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.514 3.752 -4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.333 4.410 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.798 3.802 -2.655 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.880 8.651 -4.687 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.596 9.884 -4.379 1.00 0.00 C ATOM 1095 C ASP A 69 -8.058 9.829 -4.825 1.00 0.00 C ATOM 1096 O ASP A 69 -8.387 10.206 -5.950 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.898 11.071 -5.044 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.549 12.395 -4.695 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.248 12.938 -3.612 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.360 12.889 -5.507 1.00 0.00 O ATOM 0 H ASP A 69 -5.679 8.515 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.586 10.005 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.852 11.092 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.911 10.937 -6.126 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.929 9.352 -3.936 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.362 9.270 -4.224 1.00 0.00 C ATOM 1107 C LEU A 70 -11.168 9.793 -3.040 1.00 0.00 C ATOM 1108 O LEU A 70 -11.323 9.099 -2.034 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.798 7.830 -4.528 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.233 7.209 -5.809 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.380 8.163 -6.987 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.781 6.807 -5.616 1.00 0.00 C ATOM 0 H LEU A 70 -8.668 9.016 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.551 9.883 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.511 7.200 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.886 7.807 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.808 6.310 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.971 7.699 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.435 8.388 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.839 9.086 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.399 6.368 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.191 7.687 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.710 6.077 -4.810 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.675 11.015 -3.155 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.462 11.614 -2.084 1.00 0.00 C ATOM 1126 C ALA A 71 -13.917 11.168 -2.158 1.00 0.00 C ATOM 1127 O ALA A 71 -14.637 11.517 -3.095 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.368 13.132 -2.145 1.00 0.00 C ATOM 0 H ALA A 71 -11.556 11.608 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.053 11.274 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -12.960 13.566 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.327 13.437 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.749 13.482 -3.105 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.345 10.395 -1.166 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.713 9.914 -1.137 1.00 0.00 C ATOM 1136 C GLY A 72 -15.799 8.421 -0.890 1.00 0.00 C ATOM 1137 O GLY A 72 -14.956 7.849 -0.197 1.00 0.00 O ATOM 0 H GLY A 72 -13.768 10.093 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.263 10.440 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.198 10.151 -2.084 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.820 7.789 -1.458 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.021 6.357 -1.300 1.00 0.00 C ATOM 1143 C ARG A 73 -16.820 5.631 -2.623 1.00 0.00 C ATOM 1144 O ARG A 73 -17.613 5.778 -3.553 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.424 6.076 -0.759 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.689 6.699 0.602 1.00 0.00 C ATOM 1147 CD ARG A 73 -17.798 6.093 1.676 1.00 0.00 C ATOM 1148 NE ARG A 73 -18.009 6.720 2.979 1.00 0.00 N ATOM 1149 CZ ARG A 73 -17.401 6.324 4.094 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -16.552 5.306 4.065 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -17.643 6.949 5.239 1.00 0.00 N ATOM 0 H ARG A 73 -17.524 8.250 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.283 5.987 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.160 6.451 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.568 4.998 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.518 7.774 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.735 6.555 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.997 5.024 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.753 6.203 1.385 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.658 7.505 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.363 4.824 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.087 5.005 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.295 7.733 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.177 6.646 6.094 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.752 4.848 -2.696 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.441 4.089 -3.902 1.00 0.00 C ATOM 1167 C LEU A 74 -15.632 2.596 -3.659 1.00 0.00 C ATOM 1168 O LEU A 74 -14.916 1.990 -2.860 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.011 4.368 -4.370 1.00 0.00 C ATOM 1170 CG LEU A 74 -12.928 4.214 -3.300 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.627 3.735 -3.924 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -12.717 5.526 -2.562 1.00 0.00 C ATOM 0 H LEU A 74 -15.085 4.721 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.128 4.408 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.780 3.696 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.967 5.384 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.259 3.466 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.868 3.631 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.788 2.771 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.291 4.459 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.943 5.397 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.408 6.296 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.648 5.827 -2.082 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.605 2.010 -4.349 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.895 0.588 -4.207 1.00 0.00 C ATOM 1186 C GLU A 75 -15.660 -0.251 -4.519 1.00 0.00 C ATOM 1187 O GLU A 75 -15.247 -0.360 -5.674 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.042 0.185 -5.136 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.263 1.085 -5.029 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.901 1.047 -3.655 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.624 0.070 -3.363 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.684 1.995 -2.872 1.00 0.00 O ATOM 0 H GLU A 75 -17.206 2.498 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.189 0.404 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -17.684 0.195 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.337 -0.840 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.975 2.110 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.998 0.783 -5.775 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.071 -0.838 -3.483 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.882 -1.667 -3.648 1.00 0.00 C ATOM 1201 C ILE A 76 -14.100 -3.068 -3.076 1.00 0.00 C ATOM 1202 O ILE A 76 -14.144 -3.257 -1.859 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.650 -1.011 -2.985 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.029 0.019 -3.937 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.624 -2.061 -2.582 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.199 -0.592 -5.047 1.00 0.00 C ATOM 0 H ILE A 76 -15.397 -0.755 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.695 -1.756 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.975 -0.500 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.826 0.617 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.402 0.700 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.767 -1.573 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.074 -2.756 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.296 -2.607 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.794 0.200 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.379 -1.166 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.825 -1.250 -5.649 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.253 -4.040 -3.969 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.463 -5.428 -3.567 1.00 0.00 C ATOM 1220 C GLU A 77 -13.167 -6.228 -3.647 1.00 0.00 C ATOM 1221 O GLU A 77 -12.694 -6.570 -4.732 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.545 -6.078 -4.433 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.347 -5.866 -5.926 1.00 0.00 C ATOM 1224 CD GLU A 77 -16.458 -6.480 -6.755 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.463 -5.783 -7.008 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.324 -7.657 -7.149 1.00 0.00 O ATOM 0 H GLU A 77 -14.236 -3.893 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.796 -5.430 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.567 -7.148 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.517 -5.678 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.292 -4.797 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.393 -6.298 -6.227 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.601 -6.524 -2.484 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.356 -7.281 -2.398 1.00 0.00 C ATOM 1235 C VAL A 78 -11.565 -8.749 -2.731 1.00 0.00 C ATOM 1236 O VAL A 78 -12.205 -9.477 -1.971 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.734 -7.190 -0.992 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.907 -5.923 -0.850 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.806 -7.250 0.078 1.00 0.00 C ATOM 0 H VAL A 78 -12.987 -6.250 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.681 -6.834 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.073 -8.047 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.477 -5.879 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.106 -5.927 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.544 -5.053 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.342 -7.184 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.498 -6.418 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.350 -8.191 -0.004 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.029 -9.191 -3.866 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.148 -10.586 -4.266 1.00 0.00 C ATOM 1251 C ASN A 79 -10.071 -11.420 -3.583 1.00 0.00 C ATOM 1252 O ASN A 79 -9.720 -12.505 -4.046 1.00 0.00 O ATOM 1253 CB ASN A 79 -11.013 -10.709 -5.783 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.432 -9.441 -6.493 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.531 -8.469 -6.535 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -12.555 -9.330 -6.986 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.511 -8.605 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.128 -10.955 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.979 -10.942 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.623 -11.541 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.216 -10.105 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.824 -8.463 -7.451 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.559 -10.903 -2.471 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.529 -11.600 -1.728 1.00 0.00 C ATOM 1265 C GLY A 80 -9.111 -12.301 -0.520 1.00 0.00 C ATOM 1266 O GLY A 80 -8.559 -13.286 -0.029 1.00 0.00 O ATOM 0 H GLY A 80 -9.842 -10.009 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.039 -12.328 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.764 -10.892 -1.409 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.236 -11.778 -0.048 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.932 -12.346 1.094 1.00 0.00 C ATOM 1272 C ASN A 81 -12.439 -12.193 0.915 1.00 0.00 C ATOM 1273 O ASN A 81 -13.217 -12.467 1.829 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.481 -11.683 2.392 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.220 -10.393 2.677 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.300 -10.403 3.269 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.637 -9.275 2.271 1.00 0.00 N ATOM 0 H ASN A 81 -10.687 -10.954 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.688 -13.407 1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.633 -12.375 3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.411 -11.480 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.083 -8.375 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.742 -9.315 1.784 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.840 -11.756 -0.277 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.246 -11.579 -0.580 1.00 0.00 C ATOM 1286 C GLY A 82 -14.928 -10.519 0.261 1.00 0.00 C ATOM 1287 O GLY A 82 -16.147 -10.559 0.426 1.00 0.00 O ATOM 0 H GLY A 82 -12.208 -11.520 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.350 -11.316 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.761 -12.529 -0.436 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.168 -9.565 0.800 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.775 -8.515 1.613 1.00 0.00 C ATOM 1293 C PHE A 83 -15.322 -7.393 0.742 1.00 0.00 C ATOM 1294 O PHE A 83 -14.607 -6.455 0.391 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.779 -7.954 2.631 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.310 -6.775 3.399 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.412 -6.910 4.227 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.705 -5.534 3.291 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.902 -5.828 4.932 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.190 -4.447 3.994 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.291 -4.595 4.816 1.00 0.00 C ATOM 0 H PHE A 83 -13.156 -9.498 0.692 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.605 -8.966 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.505 -8.742 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.867 -7.659 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.894 -7.872 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.844 -5.414 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.763 -5.946 5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.710 -3.484 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.673 -3.748 5.367 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.598 -7.501 0.393 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.247 -6.492 -0.427 1.00 0.00 C ATOM 1313 C ARG A 84 -17.694 -5.324 0.440 1.00 0.00 C ATOM 1314 O ARG A 84 -18.571 -5.468 1.291 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.443 -7.090 -1.168 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.114 -6.115 -2.123 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.271 -6.764 -2.865 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.881 -5.855 -3.829 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.822 -6.220 -4.695 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.261 -7.472 -4.714 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.325 -5.333 -5.543 1.00 0.00 N ATOM 0 H ARG A 84 -17.201 -8.277 0.666 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.531 -6.130 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.113 -7.965 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.176 -7.435 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.477 -5.251 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.382 -5.746 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -19.916 -7.655 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -21.024 -7.090 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.568 -4.884 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.877 -8.157 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -22.983 -7.749 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -21.990 -4.370 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.047 -5.614 -6.207 1.00 0.00 H new ATOM 1335 N GLY A 85 -17.085 -4.167 0.218 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.427 -2.992 0.994 1.00 0.00 C ATOM 1337 C GLY A 85 -16.683 -1.754 0.541 1.00 0.00 C ATOM 1338 O GLY A 85 -15.458 -1.768 0.414 1.00 0.00 O ATOM 0 H GLY A 85 -16.361 -4.021 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.500 -2.813 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.206 -3.179 2.045 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.426 -0.681 0.297 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.834 0.577 -0.138 1.00 0.00 C ATOM 1344 C GLU A 86 -15.882 1.116 0.923 1.00 0.00 C ATOM 1345 O GLU A 86 -16.152 1.017 2.120 1.00 0.00 O ATOM 1346 CB GLU A 86 -17.930 1.603 -0.429 1.00 0.00 C ATOM 1347 CG GLU A 86 -18.884 1.814 0.734 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.009 2.774 0.402 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.928 2.376 -0.344 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -19.972 3.923 0.889 1.00 0.00 O ATOM 0 H GLU A 86 -18.441 -0.658 0.393 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.268 0.394 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.467 2.555 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.498 1.279 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.307 0.854 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.328 2.195 1.590 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.767 1.684 0.479 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.775 2.233 1.396 1.00 0.00 C ATOM 1359 C LEU A 87 -13.010 3.378 0.746 1.00 0.00 C ATOM 1360 O LEU A 87 -12.768 3.368 -0.460 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.805 1.138 1.842 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.855 1.529 2.977 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.640 1.961 4.207 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.928 0.371 3.314 1.00 0.00 C ATOM 0 H LEU A 87 -14.527 1.776 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.297 2.623 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.383 0.269 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.210 0.830 0.982 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.249 2.372 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.947 2.235 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.264 2.819 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.272 1.139 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.259 0.664 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.520 -0.489 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.341 0.107 2.434 1.00 0.00 H new ATOM 1376 N SER A 88 -12.626 4.361 1.554 1.00 0.00 N ATOM 1377 CA SER A 88 -11.891 5.519 1.057 1.00 0.00 C ATOM 1378 C SER A 88 -10.546 5.101 0.475 1.00 0.00 C ATOM 1379 O SER A 88 -9.995 4.065 0.844 1.00 0.00 O ATOM 1380 CB SER A 88 -11.682 6.536 2.181 1.00 0.00 C ATOM 1381 OG SER A 88 -12.921 6.995 2.691 1.00 0.00 O ATOM 0 H SER A 88 -12.812 4.379 2.557 1.00 0.00 H new ATOM 0 HA SER A 88 -12.480 5.980 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.101 6.081 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.103 7.381 1.808 1.00 0.00 H new ATOM 0 HG SER A 88 -12.760 7.642 3.409 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.023 5.916 -0.435 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.743 5.631 -1.072 1.00 0.00 C ATOM 1389 C ALA A 89 -7.612 5.597 -0.052 1.00 0.00 C ATOM 1390 O ALA A 89 -6.510 5.137 -0.349 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.447 6.660 -2.147 1.00 0.00 C ATOM 0 H ALA A 89 -10.466 6.780 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.812 4.646 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.488 6.434 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.233 6.634 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.407 7.653 -1.699 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.889 6.086 1.151 1.00 0.00 N ATOM 1398 CA ASP A 90 -6.894 6.105 2.210 1.00 0.00 C ATOM 1399 C ASP A 90 -6.848 4.755 2.909 1.00 0.00 C ATOM 1400 O ASP A 90 -5.813 4.094 2.931 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.209 7.210 3.220 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.217 7.245 4.367 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.142 7.858 4.203 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.519 6.660 5.429 1.00 0.00 O ATOM 0 H ASP A 90 -8.795 6.474 1.415 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.919 6.307 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.207 8.174 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.213 7.061 3.616 1.00 0.00 H new ATOM 1409 N ALA A 91 -7.982 4.347 3.471 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.073 3.072 4.172 1.00 0.00 C ATOM 1411 C ALA A 91 -7.968 1.898 3.206 1.00 0.00 C ATOM 1412 O ALA A 91 -7.713 0.766 3.618 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.373 2.997 4.960 1.00 0.00 C ATOM 0 H ALA A 91 -8.851 4.882 3.454 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.234 3.008 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.429 2.040 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.404 3.807 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.218 3.090 4.278 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.164 2.169 1.918 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.082 1.132 0.898 1.00 0.00 C ATOM 1421 C ALA A 92 -6.677 1.070 0.322 1.00 0.00 C ATOM 1422 O ALA A 92 -6.173 -0.007 0.003 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.100 1.384 -0.204 1.00 0.00 C ATOM 0 H ALA A 92 -8.381 3.098 1.558 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.310 0.172 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.023 0.599 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.104 1.383 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.903 2.351 -0.667 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.050 2.235 0.189 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.700 2.289 -0.328 1.00 0.00 C ATOM 1431 C GLY A 93 -3.753 1.473 0.522 1.00 0.00 C ATOM 1432 O GLY A 93 -2.666 1.102 0.080 1.00 0.00 O ATOM 0 H GLY A 93 -6.454 3.140 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.685 1.916 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.362 3.325 -0.361 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.179 1.195 1.751 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.379 0.406 2.679 1.00 0.00 C ATOM 1438 C ILE A 94 -3.303 -1.039 2.205 1.00 0.00 C ATOM 1439 O ILE A 94 -2.256 -1.679 2.281 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.971 0.424 4.104 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.578 1.793 4.426 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.905 0.057 5.124 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.596 2.939 4.327 1.00 0.00 C ATOM 0 H ILE A 94 -5.075 1.506 2.126 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.385 0.852 2.707 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.768 -0.318 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.409 1.980 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.991 1.768 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.337 0.074 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.525 -0.942 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.087 0.776 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.102 3.874 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.777 2.778 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.201 2.993 3.313 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.430 -1.536 1.710 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.525 -2.903 1.222 1.00 0.00 C ATOM 1457 C VAL A 95 -3.811 -3.070 -0.116 1.00 0.00 C ATOM 1458 O VAL A 95 -3.239 -4.123 -0.395 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.999 -3.321 1.061 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.108 -4.784 0.662 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.768 -3.049 2.345 1.00 0.00 C ATOM 0 H VAL A 95 -5.298 -1.005 1.636 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.041 -3.542 1.960 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.441 -2.725 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.158 -5.055 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.594 -4.942 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.650 -5.406 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.808 -3.349 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.324 -3.618 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.723 -1.985 2.577 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.843 -2.027 -0.939 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.204 -2.072 -2.251 1.00 0.00 C ATOM 1473 C ALA A 96 -1.686 -2.172 -2.137 1.00 0.00 C ATOM 1474 O ALA A 96 -1.058 -2.990 -2.809 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.588 -0.845 -3.064 1.00 0.00 C ATOM 0 H ALA A 96 -4.303 -1.143 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.558 -2.968 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.105 -0.890 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.670 -0.819 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.264 0.054 -2.540 1.00 0.00 H new ATOM 1481 N THR A 97 -1.100 -1.337 -1.285 1.00 0.00 N ATOM 1482 CA THR A 97 0.345 -1.330 -1.093 1.00 0.00 C ATOM 1483 C THR A 97 0.816 -2.571 -0.338 1.00 0.00 C ATOM 1484 O THR A 97 1.814 -3.189 -0.708 1.00 0.00 O ATOM 1485 CB THR A 97 0.808 -0.069 -0.340 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.210 -0.151 -0.058 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.033 0.103 0.959 1.00 0.00 C ATOM 0 H THR A 97 -1.604 -0.656 -0.717 1.00 0.00 H new ATOM 0 HA THR A 97 0.791 -1.332 -2.087 1.00 0.00 H new ATOM 0 HB THR A 97 0.617 0.795 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.407 0.340 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.378 1.000 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.030 0.197 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.195 -0.765 1.597 1.00 0.00 H new ATOM 1495 N LEU A 98 0.094 -2.929 0.722 1.00 0.00 N ATOM 1496 CA LEU A 98 0.443 -4.101 1.523 1.00 0.00 C ATOM 1497 C LEU A 98 0.554 -5.353 0.655 1.00 0.00 C ATOM 1498 O LEU A 98 1.558 -6.063 0.705 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.591 -4.323 2.629 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.452 -3.403 3.844 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.642 -3.570 4.777 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.849 -3.684 4.581 1.00 0.00 C ATOM 0 H LEU A 98 -0.733 -2.427 1.045 1.00 0.00 H new ATOM 0 HA LEU A 98 1.416 -3.913 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.587 -4.191 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.522 -5.357 2.966 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.431 -2.371 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.527 -2.908 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.559 -3.318 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.694 -4.603 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.930 -3.020 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.859 -4.720 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.691 -3.513 3.910 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.483 -5.619 -0.136 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.495 -6.788 -1.012 1.00 0.00 C ATOM 1516 C PHE A 99 0.723 -6.795 -1.931 1.00 0.00 C ATOM 1517 O PHE A 99 1.264 -7.854 -2.251 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.778 -6.819 -1.845 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.859 -7.671 -1.247 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -2.895 -9.035 -1.491 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.839 -7.112 -0.443 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -3.887 -9.826 -0.944 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.834 -7.899 0.106 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.857 -9.257 -0.144 1.00 0.00 C ATOM 0 H PHE A 99 -1.323 -5.043 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.458 -7.678 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.151 -5.801 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.545 -7.189 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.138 -9.485 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.825 -6.051 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.903 -10.888 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.593 -7.452 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.633 -9.873 0.286 1.00 0.00 H new ATOM 1534 N ALA A 100 1.146 -5.609 -2.351 1.00 0.00 N ATOM 1535 CA ALA A 100 2.302 -5.478 -3.229 1.00 0.00 C ATOM 1536 C ALA A 100 3.562 -5.995 -2.542 1.00 0.00 C ATOM 1537 O ALA A 100 4.405 -6.636 -3.169 1.00 0.00 O ATOM 1538 CB ALA A 100 2.481 -4.030 -3.654 1.00 0.00 C ATOM 0 H ALA A 100 0.706 -4.724 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 100 2.128 -6.082 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.348 -3.948 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.591 -3.694 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.633 -3.408 -2.772 1.00 0.00 H new ATOM 1544 N LEU A 101 3.682 -5.707 -1.250 1.00 0.00 N ATOM 1545 CA LEU A 101 4.834 -6.143 -0.468 1.00 0.00 C ATOM 1546 C LEU A 101 4.908 -7.667 -0.406 1.00 0.00 C ATOM 1547 O LEU A 101 5.975 -8.254 -0.588 1.00 0.00 O ATOM 1548 CB LEU A 101 4.754 -5.574 0.951 1.00 0.00 C ATOM 1549 CG LEU A 101 4.828 -4.048 1.049 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.558 -3.593 2.477 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.184 -3.548 0.576 1.00 0.00 C ATOM 0 H LEU A 101 2.993 -5.172 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 101 5.734 -5.771 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.821 -5.906 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.565 -5.999 1.542 1.00 0.00 H new ATOM 0 HG LEU A 101 4.061 -3.623 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.614 -2.506 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.564 -3.920 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.302 -4.027 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.218 -2.461 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.968 -3.980 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.339 -3.843 -0.462 1.00 0.00 H new ATOM 1563 N GLY A 102 3.767 -8.299 -0.149 1.00 0.00 N ATOM 1564 CA GLY A 102 3.720 -9.748 -0.056 1.00 0.00 C ATOM 1565 C GLY A 102 4.102 -10.443 -1.349 1.00 0.00 C ATOM 1566 O GLY A 102 4.756 -11.486 -1.328 1.00 0.00 O ATOM 0 H GLY A 102 2.872 -7.833 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.391 -10.077 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.714 -10.055 0.230 1.00 0.00 H new ATOM 1570 N GLN A 103 3.695 -9.871 -2.478 1.00 0.00 N ATOM 1571 CA GLN A 103 3.998 -10.458 -3.779 1.00 0.00 C ATOM 1572 C GLN A 103 5.457 -10.228 -4.161 1.00 0.00 C ATOM 1573 O GLN A 103 6.142 -11.147 -4.606 1.00 0.00 O ATOM 1574 CB GLN A 103 3.072 -9.886 -4.856 1.00 0.00 C ATOM 1575 CG GLN A 103 3.322 -10.462 -6.241 1.00 0.00 C ATOM 1576 CD GLN A 103 2.057 -10.565 -7.069 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.745 -9.510 -7.813 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.366 -11.584 -7.042 1.00 0.00 N flip ATOM 0 H GLN A 103 3.157 -9.005 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 103 3.831 -11.533 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.037 -10.078 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.197 -8.804 -4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.044 -9.836 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.769 -11.451 -6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.642 -12.372 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.518 -11.640 -7.605 1.00 0.00 H new ATOM 1587 N LEU A 104 5.926 -8.996 -3.985 1.00 0.00 N ATOM 1588 CA LEU A 104 7.300 -8.647 -4.304 1.00 0.00 C ATOM 1589 C LEU A 104 8.271 -9.538 -3.537 1.00 0.00 C ATOM 1590 O LEU A 104 9.337 -9.894 -4.041 1.00 0.00 O ATOM 1591 CB LEU A 104 7.544 -7.175 -3.964 1.00 0.00 C ATOM 1592 CG LEU A 104 8.781 -6.543 -4.605 1.00 0.00 C ATOM 1593 CD1 LEU A 104 10.041 -6.948 -3.859 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.878 -6.922 -6.075 1.00 0.00 C ATOM 0 H LEU A 104 5.369 -8.222 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 104 7.468 -8.802 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.668 -6.601 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.630 -7.080 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 104 8.682 -5.459 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.908 -6.487 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.973 -6.615 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.147 -8.033 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.765 -6.462 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.949 -8.006 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.990 -6.570 -6.601 1.00 0.00 H new ATOM 1606 N ALA A 105 7.889 -9.901 -2.318 1.00 0.00 N ATOM 1607 CA ALA A 105 8.719 -10.751 -1.475 1.00 0.00 C ATOM 1608 C ALA A 105 8.706 -12.194 -1.967 1.00 0.00 C ATOM 1609 O ALA A 105 9.720 -12.890 -1.908 1.00 0.00 O ATOM 1610 CB ALA A 105 8.244 -10.681 -0.030 1.00 0.00 C ATOM 0 H ALA A 105 7.007 -9.618 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 105 9.745 -10.386 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.872 -11.320 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.310 -9.653 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.210 -11.020 0.030 1.00 0.00 H new ATOM 1616 N ALA A 106 7.553 -12.637 -2.458 1.00 0.00 N ATOM 1617 CA ALA A 106 7.406 -14.000 -2.956 1.00 0.00 C ATOM 1618 C ALA A 106 7.943 -14.136 -4.378 1.00 0.00 C ATOM 1619 O ALA A 106 8.176 -15.246 -4.858 1.00 0.00 O ATOM 1620 CB ALA A 106 5.947 -14.427 -2.900 1.00 0.00 C ATOM 0 H ALA A 106 6.706 -12.072 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 106 7.994 -14.655 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.852 -15.446 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.595 -14.385 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.348 -13.756 -3.516 1.00 0.00 H new ATOM 1626 N GLU A 107 8.138 -13.005 -5.048 1.00 0.00 N ATOM 1627 CA GLU A 107 8.645 -13.000 -6.411 1.00 0.00 C ATOM 1628 C GLU A 107 10.164 -13.138 -6.432 1.00 0.00 C ATOM 1629 O GLU A 107 10.727 -13.780 -7.319 1.00 0.00 O ATOM 1630 CB GLU A 107 8.228 -11.711 -7.118 1.00 0.00 C ATOM 1631 CG GLU A 107 6.777 -11.704 -7.569 1.00 0.00 C ATOM 1632 CD GLU A 107 6.477 -12.788 -8.585 1.00 0.00 C ATOM 1633 OE1 GLU A 107 6.628 -12.525 -9.797 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.091 -13.902 -8.170 1.00 0.00 O ATOM 0 H GLU A 107 7.951 -12.078 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 107 8.218 -13.854 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.395 -10.869 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.870 -11.559 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.130 -11.835 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.539 -10.731 -8.000 1.00 0.00 H new ATOM 1750 N LEU A 117 12.462 -6.997 3.013 1.00 0.00 N ATOM 1751 CA LEU A 117 11.438 -6.032 2.649 1.00 0.00 C ATOM 1752 C LEU A 117 10.200 -6.252 3.507 1.00 0.00 C ATOM 1753 O LEU A 117 9.457 -5.316 3.803 1.00 0.00 O ATOM 1754 CB LEU A 117 11.078 -6.183 1.171 1.00 0.00 C ATOM 1755 CG LEU A 117 10.184 -7.380 0.848 1.00 0.00 C ATOM 1756 CD1 LEU A 117 8.720 -6.972 0.877 1.00 0.00 C ATOM 1757 CD2 LEU A 117 10.557 -7.974 -0.498 1.00 0.00 C ATOM 0 HA LEU A 117 11.820 -5.025 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.578 -5.273 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.999 -6.269 0.594 1.00 0.00 H new ATOM 0 HG LEU A 117 10.338 -8.145 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.097 -7.836 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.466 -6.597 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.546 -6.190 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.910 -8.825 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.433 -7.220 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.596 -8.304 -0.475 1.00 0.00 H new ATOM 1769 N ILE A 118 9.992 -7.509 3.892 1.00 0.00 N ATOM 1770 CA ILE A 118 8.856 -7.889 4.718 1.00 0.00 C ATOM 1771 C ILE A 118 8.730 -6.966 5.924 1.00 0.00 C ATOM 1772 O ILE A 118 7.634 -6.739 6.437 1.00 0.00 O ATOM 1773 CB ILE A 118 8.987 -9.352 5.193 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.724 -10.315 4.030 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.038 -9.635 6.349 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.346 -10.174 3.419 1.00 0.00 C ATOM 0 H ILE A 118 10.603 -8.286 3.641 1.00 0.00 H new ATOM 0 HA ILE A 118 7.957 -7.796 4.108 1.00 0.00 H new ATOM 0 HB ILE A 118 10.006 -9.507 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.473 -10.148 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.852 -11.339 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.149 -10.672 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.273 -8.974 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.011 -9.462 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.235 -10.888 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.589 -10.371 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.220 -9.162 3.035 1.00 0.00 H new ATOM 1788 N ASP A 119 9.863 -6.431 6.363 1.00 0.00 N ATOM 1789 CA ASP A 119 9.894 -5.524 7.501 1.00 0.00 C ATOM 1790 C ASP A 119 8.880 -4.399 7.330 1.00 0.00 C ATOM 1791 O ASP A 119 8.131 -4.081 8.253 1.00 0.00 O ATOM 1792 CB ASP A 119 11.294 -4.934 7.661 1.00 0.00 C ATOM 1793 CG ASP A 119 12.107 -5.645 8.726 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.788 -6.636 8.389 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.060 -5.213 9.896 1.00 0.00 O ATOM 0 H ASP A 119 10.776 -6.612 5.945 1.00 0.00 H new ATOM 0 HA ASP A 119 9.634 -6.091 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.820 -4.992 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.212 -3.877 7.916 1.00 0.00 H new ATOM 1800 N ARG A 120 8.858 -3.806 6.140 1.00 0.00 N ATOM 1801 CA ARG A 120 7.943 -2.707 5.850 1.00 0.00 C ATOM 1802 C ARG A 120 6.488 -3.147 5.970 1.00 0.00 C ATOM 1803 O ARG A 120 5.640 -2.384 6.433 1.00 0.00 O ATOM 1804 CB ARG A 120 8.205 -2.142 4.452 1.00 0.00 C ATOM 1805 CG ARG A 120 9.508 -1.364 4.344 1.00 0.00 C ATOM 1806 CD ARG A 120 10.664 -2.258 3.927 1.00 0.00 C ATOM 1807 NE ARG A 120 10.572 -2.651 2.523 1.00 0.00 N ATOM 1808 CZ ARG A 120 11.629 -2.827 1.736 1.00 0.00 C ATOM 1809 NH1 ARG A 120 12.853 -2.655 2.217 1.00 0.00 N ATOM 1810 NH2 ARG A 120 11.462 -3.174 0.468 1.00 0.00 N ATOM 0 H ARG A 120 9.463 -4.068 5.362 1.00 0.00 H new ATOM 0 HA ARG A 120 8.124 -1.926 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.221 -2.963 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.378 -1.490 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.392 -0.558 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.735 -0.900 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.606 -1.736 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.677 -3.150 4.553 1.00 0.00 H new ATOM 0 HE ARG A 120 9.645 -2.799 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.985 -2.387 3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.663 -2.791 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.522 -3.306 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.274 -3.309 -0.135 1.00 0.00 H new ATOM 1824 N TYR A 121 6.200 -4.375 5.551 1.00 0.00 N ATOM 1825 CA TYR A 121 4.840 -4.902 5.621 1.00 0.00 C ATOM 1826 C TYR A 121 4.318 -4.858 7.053 1.00 0.00 C ATOM 1827 O TYR A 121 3.226 -4.354 7.309 1.00 0.00 O ATOM 1828 CB TYR A 121 4.792 -6.337 5.084 1.00 0.00 C ATOM 1829 CG TYR A 121 3.389 -6.885 4.923 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.600 -7.181 6.030 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.854 -7.108 3.661 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.321 -7.681 5.881 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.575 -7.609 3.505 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.814 -7.894 4.618 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.461 -8.392 4.466 1.00 0.00 O ATOM 0 H TYR A 121 6.886 -5.022 5.161 1.00 0.00 H new ATOM 0 HA TYR A 121 4.200 -4.275 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.298 -6.371 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.350 -6.986 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.994 -7.017 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.447 -6.886 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.721 -7.904 6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.174 -7.776 2.516 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.665 -8.482 3.512 1.00 0.00 H new ATOM 1845 N HIS A 122 5.104 -5.390 7.983 1.00 0.00 N ATOM 1846 CA HIS A 122 4.719 -5.411 9.390 1.00 0.00 C ATOM 1847 C HIS A 122 4.606 -3.996 9.947 1.00 0.00 C ATOM 1848 O HIS A 122 3.763 -3.720 10.800 1.00 0.00 O ATOM 1849 CB HIS A 122 5.731 -6.213 10.210 1.00 0.00 C ATOM 1850 CG HIS A 122 5.673 -7.687 9.959 1.00 0.00 C ATOM 1851 ND1 HIS A 122 5.375 -8.607 10.943 1.00 0.00 N ATOM 1852 CD2 HIS A 122 5.878 -8.403 8.828 1.00 0.00 C ATOM 1853 CE1 HIS A 122 5.401 -9.823 10.427 1.00 0.00 C ATOM 1854 NE2 HIS A 122 5.703 -9.726 9.147 1.00 0.00 N ATOM 0 H HIS A 122 6.012 -5.813 7.788 1.00 0.00 H new ATOM 0 HA HIS A 122 3.743 -5.890 9.462 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.735 -5.854 9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.557 -6.026 11.270 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.132 -8.007 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.208 -10.741 10.963 1.00 0.00 H new ATOM 0 HE2 HIS A 122 5.792 -10.508 8.499 1.00 0.00 H new ATOM 1863 N PHE A 123 5.459 -3.102 9.458 1.00 0.00 N ATOM 1864 CA PHE A 123 5.453 -1.715 9.912 1.00 0.00 C ATOM 1865 C PHE A 123 4.136 -1.032 9.558 1.00 0.00 C ATOM 1866 O PHE A 123 3.442 -0.513 10.432 1.00 0.00 O ATOM 1867 CB PHE A 123 6.626 -0.943 9.300 1.00 0.00 C ATOM 1868 CG PHE A 123 7.978 -1.430 9.750 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.147 -2.001 11.003 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.079 -1.307 8.919 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.390 -2.442 11.416 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.325 -1.747 9.328 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.480 -2.314 10.577 1.00 0.00 C ATOM 0 H PHE A 123 6.162 -3.312 8.749 1.00 0.00 H new ATOM 0 HA PHE A 123 5.561 -1.717 10.997 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.568 -1.014 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.527 0.112 9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.298 -2.102 11.663 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.964 -0.863 7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.509 -2.886 12.393 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.176 -1.647 8.671 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.452 -2.657 10.898 1.00 0.00 H new ATOM 1883 N LEU A 124 3.799 -1.034 8.272 1.00 0.00 N ATOM 1884 CA LEU A 124 2.562 -0.416 7.806 1.00 0.00 C ATOM 1885 C LEU A 124 1.353 -1.103 8.427 1.00 0.00 C ATOM 1886 O LEU A 124 0.437 -0.444 8.918 1.00 0.00 O ATOM 1887 CB LEU A 124 2.475 -0.487 6.281 1.00 0.00 C ATOM 1888 CG LEU A 124 1.159 0.014 5.682 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.960 1.492 5.985 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.130 -0.233 4.182 1.00 0.00 C ATOM 0 H LEU A 124 4.364 -1.456 7.535 1.00 0.00 H new ATOM 0 HA LEU A 124 2.565 0.630 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.294 0.095 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.627 -1.521 5.972 1.00 0.00 H new ATOM 0 HG LEU A 124 0.340 -0.541 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.019 1.829 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.936 1.642 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.783 2.065 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.187 0.129 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.958 0.296 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.224 -1.301 3.987 1.00 0.00 H new ATOM 1902 N ARG A 125 1.357 -2.431 8.388 1.00 0.00 N ATOM 1903 CA ARG A 125 0.269 -3.222 8.951 1.00 0.00 C ATOM 1904 C ARG A 125 -0.094 -2.741 10.353 1.00 0.00 C ATOM 1905 O ARG A 125 -1.266 -2.734 10.730 1.00 0.00 O ATOM 1906 CB ARG A 125 0.657 -4.702 8.991 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.474 -5.617 9.433 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.034 -7.072 9.461 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.138 -7.972 9.784 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.011 -9.292 9.876 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.169 -9.865 9.674 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.065 -10.042 10.168 1.00 0.00 N ATOM 0 H ARG A 125 2.105 -2.984 7.970 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.604 -3.097 8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.994 -5.007 8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.502 -4.829 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.817 -5.320 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.320 -5.505 8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.383 -7.343 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.762 -7.196 10.196 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.059 -7.565 9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.982 -9.292 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.263 -10.878 9.745 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.974 -9.606 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.967 -11.055 10.238 1.00 0.00 H new ATOM 1926 N GLY A 126 0.916 -2.341 11.124 1.00 0.00 N ATOM 1927 CA GLY A 126 0.674 -1.865 12.473 1.00 0.00 C ATOM 1928 C GLY A 126 -0.059 -0.540 12.502 1.00 0.00 C ATOM 1929 O GLY A 126 -0.866 -0.291 13.399 1.00 0.00 O ATOM 0 H GLY A 126 1.895 -2.339 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.093 -2.609 13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.626 -1.760 12.993 1.00 0.00 H new ATOM 1933 N PHE A 127 0.220 0.314 11.522 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.424 1.619 11.445 1.00 0.00 C ATOM 1935 C PHE A 127 -1.886 1.470 11.043 1.00 0.00 C ATOM 1936 O PHE A 127 -2.719 2.321 11.358 1.00 0.00 O ATOM 1937 CB PHE A 127 0.308 2.519 10.447 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.216 3.926 10.409 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.023 4.798 11.460 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.948 4.377 9.322 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.458 6.092 11.427 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.432 5.671 9.285 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.186 6.530 10.338 1.00 0.00 C ATOM 0 H PHE A 127 0.886 0.126 10.773 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.379 2.082 12.431 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.368 2.542 10.701 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.228 2.083 9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.592 4.461 12.314 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.142 3.710 8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.265 6.761 12.252 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.002 6.010 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.562 7.542 10.310 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.188 0.381 10.343 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.548 0.109 9.902 1.00 0.00 C ATOM 1955 C ALA A 128 -4.483 -0.025 11.096 1.00 0.00 C ATOM 1956 O ALA A 128 -5.653 0.345 11.024 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.586 -1.153 9.054 1.00 0.00 C ATOM 0 H ALA A 128 -1.507 -0.327 10.070 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.887 0.948 9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.610 -1.344 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.948 -1.023 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.228 -1.998 9.642 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.954 -0.553 12.198 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.739 -0.733 13.413 1.00 0.00 C ATOM 1965 C ALA A 129 -5.156 0.612 13.996 1.00 0.00 C ATOM 1966 O ALA A 129 -6.121 0.698 14.755 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.949 -1.535 14.437 1.00 0.00 C ATOM 0 H ALA A 129 -2.985 -0.863 12.273 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.643 -1.285 13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.547 -1.662 15.339 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.705 -2.513 14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.029 -1.005 14.683 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.419 1.659 13.637 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.728 2.989 14.127 1.00 0.00 C ATOM 1975 C GLY A 130 -5.752 3.691 13.259 1.00 0.00 C ATOM 1976 O GLY A 130 -6.312 4.716 13.647 1.00 0.00 O ATOM 0 H GLY A 130 -3.612 1.609 13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.104 2.921 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.815 3.583 14.163 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.993 3.132 12.078 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.957 3.696 11.140 1.00 0.00 C ATOM 1982 C HIS A 131 -8.386 3.493 11.636 1.00 0.00 C ATOM 1983 O HIS A 131 -8.695 2.475 12.255 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.790 3.049 9.763 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.701 3.657 8.935 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -5.933 4.619 7.975 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.367 3.427 8.920 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -4.790 4.953 7.405 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -3.824 4.244 7.959 1.00 0.00 N ATOM 0 H HIS A 131 -5.532 2.285 11.746 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.768 4.767 11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.583 1.987 9.894 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.732 3.126 9.220 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -3.830 2.731 9.547 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.666 5.683 6.619 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -2.835 4.295 7.713 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.279 4.465 11.374 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.685 4.381 11.788 1.00 0.00 C ATOM 2000 C PRO A 132 -11.397 3.196 11.142 1.00 0.00 C ATOM 2001 O PRO A 132 -12.494 2.817 11.552 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.293 5.702 11.300 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.130 6.608 11.082 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.992 5.723 10.665 1.00 0.00 C ATOM 0 HA PRO A 132 -10.785 4.232 12.863 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -11.859 5.559 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.982 6.115 12.037 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.351 7.349 10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -9.886 7.156 11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.965 5.581 9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.028 6.140 10.956 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.761 2.620 10.128 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.319 1.475 9.419 1.00 0.00 C ATOM 2014 C GLU A 133 -10.412 0.264 9.553 1.00 0.00 C ATOM 2015 O GLU A 133 -10.467 -0.656 8.740 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.528 1.807 7.943 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.798 2.590 7.679 1.00 0.00 C ATOM 2018 CD GLU A 133 -14.050 1.773 7.931 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -14.516 1.094 6.993 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -14.566 1.814 9.068 1.00 0.00 O ATOM 0 H GLU A 133 -9.854 2.929 9.777 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.284 1.240 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.674 2.381 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.555 0.880 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.813 3.476 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -12.798 2.938 6.646 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.567 0.283 10.579 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.644 -0.814 10.841 1.00 0.00 C ATOM 2029 C ALA A 134 -9.318 -2.158 10.607 1.00 0.00 C ATOM 2030 O ALA A 134 -8.746 -3.050 9.982 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.116 -0.727 12.265 1.00 0.00 C ATOM 0 H ALA A 134 -9.503 1.052 11.246 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.806 -0.730 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.428 -1.552 12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.593 0.220 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.949 -0.786 12.966 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.537 -2.295 11.119 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.299 -3.525 10.961 1.00 0.00 C ATOM 2039 C ALA A 135 -11.419 -3.926 9.493 1.00 0.00 C ATOM 2040 O ALA A 135 -11.247 -5.094 9.147 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.679 -3.371 11.581 1.00 0.00 C ATOM 0 H ALA A 135 -11.018 -1.567 11.648 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.761 -4.319 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.239 -4.298 11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.578 -3.148 12.643 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.210 -2.557 11.088 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.719 -2.957 8.635 1.00 0.00 N ATOM 2048 CA ALA A 136 -11.866 -3.224 7.208 1.00 0.00 C ATOM 2049 C ALA A 136 -10.519 -3.493 6.541 1.00 0.00 C ATOM 2050 O ALA A 136 -10.407 -4.366 5.682 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.567 -2.059 6.526 1.00 0.00 C ATOM 0 H ALA A 136 -11.865 -1.983 8.901 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.473 -4.123 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.671 -2.270 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.554 -1.920 6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -11.979 -1.151 6.660 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.503 -2.739 6.941 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.166 -2.876 6.374 1.00 0.00 C ATOM 2059 C ILE A 137 -7.553 -4.258 6.617 1.00 0.00 C ATOM 2060 O ILE A 137 -7.133 -4.926 5.672 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.217 -1.802 6.941 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.722 -0.407 6.568 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.801 -2.018 6.428 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -6.965 0.714 7.246 1.00 0.00 C ATOM 0 H ILE A 137 -9.580 -2.021 7.661 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.283 -2.745 5.298 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.200 -1.886 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.650 -0.281 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.778 -0.330 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.144 -1.251 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.448 -3.002 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.795 -1.957 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.378 1.673 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.058 0.614 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -5.913 0.664 6.966 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.502 -4.686 7.876 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.905 -5.977 8.213 1.00 0.00 C ATOM 2078 C TYR A 138 -7.695 -7.135 7.609 1.00 0.00 C ATOM 2079 O TYR A 138 -7.114 -8.137 7.193 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.780 -6.138 9.734 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.956 -6.818 10.400 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.042 -6.083 10.853 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.975 -8.196 10.581 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.116 -6.701 11.467 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.044 -8.821 11.193 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.111 -8.070 11.634 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.179 -8.688 12.246 1.00 0.00 O ATOM 0 H TYR A 138 -7.863 -4.163 8.674 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.905 -6.000 7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.877 -6.709 9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.649 -5.152 10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.049 -5.011 10.724 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.140 -8.788 10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.954 -6.115 11.814 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.043 -9.893 11.325 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.020 -9.654 12.285 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.016 -6.999 7.562 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.858 -8.045 6.997 1.00 0.00 C ATOM 2099 C ARG A 139 -9.748 -8.037 5.479 1.00 0.00 C ATOM 2100 O ARG A 139 -9.996 -9.045 4.821 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.317 -7.867 7.427 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.009 -6.678 6.783 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.422 -6.504 7.316 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.256 -7.674 7.053 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.490 -7.822 7.524 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.030 -6.880 8.286 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.185 -8.912 7.234 1.00 0.00 N ATOM 0 H ARG A 139 -9.522 -6.183 7.905 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.511 -9.007 7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.871 -8.773 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.355 -7.754 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.433 -5.773 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.040 -6.815 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.384 -6.320 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.876 -5.625 6.858 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.869 -8.420 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.498 -6.040 8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.977 -6.996 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.773 -9.639 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.132 -9.024 7.596 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.367 -6.886 4.934 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.207 -6.735 3.494 1.00 0.00 C ATOM 2123 C ALA A 140 -7.956 -7.456 3.008 1.00 0.00 C ATOM 2124 O ALA A 140 -7.942 -8.032 1.920 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.151 -5.263 3.119 1.00 0.00 C ATOM 0 H ALA A 140 -9.163 -6.043 5.470 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.071 -7.187 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.031 -5.167 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.075 -4.774 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.306 -4.791 3.621 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.904 -7.421 3.824 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.648 -8.076 3.476 1.00 0.00 C ATOM 2133 C ILE A 141 -5.614 -9.509 3.994 1.00 0.00 C ATOM 2134 O ILE A 141 -4.740 -10.293 3.622 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.433 -7.302 4.033 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.491 -7.228 5.562 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.374 -5.905 3.436 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.806 -8.387 6.256 1.00 0.00 C ATOM 0 H ILE A 141 -6.898 -6.947 4.727 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.588 -8.088 2.388 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.527 -7.839 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.029 -6.296 5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.534 -7.194 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.512 -5.373 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.282 -5.976 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.285 -5.363 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.889 -8.265 7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -4.282 -9.322 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.754 -8.410 5.973 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.569 -9.844 4.855 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.646 -11.184 5.427 1.00 0.00 C ATOM 2152 C ASP A 142 -7.063 -12.205 4.372 1.00 0.00 C ATOM 2153 O ASP A 142 -6.173 -12.708 3.654 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.632 -11.207 6.598 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.744 -12.579 7.233 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.903 -12.903 8.097 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.672 -13.330 6.865 1.00 0.00 O ATOM 2158 OXT ASP A 142 -8.274 -12.495 4.275 1.00 0.00 O ATOM 0 H ASP A 142 -7.300 -9.207 5.172 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.655 -11.453 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.314 -10.486 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.615 -10.890 6.248 1.00 0.00 H new