USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 12:sc= -0.367 USER MOD Set 1.2: A 75 SER OG : rot 28:sc= 1.04! USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 51 ASN : amide:sc= -0.825 K(o=-0.83,f=-2.8!) USER MOD Set 3.1: A 29 THR OG1 : rot 79:sc= 0.5 USER MOD Set 3.2: A 34 MET CE :methyl -170:sc= -0.973 (180deg=-0.639) USER MOD Single : A 7 SER OG : rot -99:sc= 0.767 USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= -0.273 (180deg=-1.01) USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= -0.282 (180deg=-1.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.753 USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= -0.266 (180deg=-1.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -3.01! (180deg=-5.75!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000193 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.156 (180deg=-0.833) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.202 (180deg=-1.24!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -105:sc= 0.854 USER MOD Single : A 77 GLN : amide:sc= -0.49 K(o=-0.49,f=-5.9!) USER MOD Single : A 78 THR OG1 : rot 18:sc= -0.238! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.644 F(o=-3,f=-0.64) USER MOD Single : A 86 GLN : amide:sc= -0.0408 K(o=-0.041,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -24:sc= 0.7 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.836 5.603 -10.568 1.00 0.00 N ATOM 87 CA VAL A 6 89.633 4.887 -9.269 1.00 0.00 C ATOM 88 C VAL A 6 88.622 3.756 -9.473 1.00 0.00 C ATOM 89 O VAL A 6 87.648 3.905 -10.184 1.00 0.00 O ATOM 90 CB VAL A 6 89.097 5.871 -8.229 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.049 5.193 -6.863 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.021 7.088 -8.157 1.00 0.00 C ATOM 0 HA VAL A 6 90.580 4.473 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 6 88.094 6.189 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.667 5.895 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.394 4.323 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.052 4.876 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.640 7.791 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.023 6.768 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.059 7.574 -9.132 1.00 0.00 H new ATOM 102 N SER A 7 88.849 2.622 -8.865 1.00 0.00 N ATOM 103 CA SER A 7 87.902 1.479 -9.036 1.00 0.00 C ATOM 104 C SER A 7 86.727 1.628 -8.068 1.00 0.00 C ATOM 105 O SER A 7 86.817 1.303 -6.902 1.00 0.00 O ATOM 106 CB SER A 7 88.633 0.170 -8.761 1.00 0.00 C ATOM 107 OG SER A 7 87.918 -0.903 -9.357 1.00 0.00 O ATOM 0 H SER A 7 89.648 2.437 -8.258 1.00 0.00 H new ATOM 0 HA SER A 7 87.522 1.475 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 7 89.645 0.215 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.723 0.009 -7.687 1.00 0.00 H new ATOM 0 HG SER A 7 87.369 -1.347 -8.678 1.00 0.00 H new ATOM 113 N PHE A 8 85.629 2.112 -8.561 1.00 0.00 N ATOM 114 CA PHE A 8 84.417 2.300 -7.706 1.00 0.00 C ATOM 115 C PHE A 8 83.583 1.010 -7.701 1.00 0.00 C ATOM 116 O PHE A 8 83.136 0.545 -8.730 1.00 0.00 O ATOM 117 CB PHE A 8 83.585 3.455 -8.279 1.00 0.00 C ATOM 118 CG PHE A 8 83.661 3.432 -9.786 1.00 0.00 C ATOM 119 CD1 PHE A 8 82.731 2.690 -10.524 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.663 4.153 -10.445 1.00 0.00 C ATOM 121 CE1 PHE A 8 82.803 2.670 -11.923 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.736 4.133 -11.843 1.00 0.00 C ATOM 123 CZ PHE A 8 83.806 3.391 -12.581 1.00 0.00 C ATOM 0 H PHE A 8 85.511 2.392 -9.535 1.00 0.00 H new ATOM 0 HA PHE A 8 84.715 2.531 -6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.548 3.366 -7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.956 4.407 -7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 8 81.958 2.133 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.380 4.725 -9.875 1.00 0.00 H new ATOM 0 HE1 PHE A 8 82.085 2.099 -12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.509 4.690 -12.352 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.863 3.375 -13.659 1.00 0.00 H new ATOM 133 N PHE A 9 83.368 0.435 -6.543 1.00 0.00 N ATOM 134 CA PHE A 9 82.559 -0.824 -6.448 1.00 0.00 C ATOM 135 C PHE A 9 81.164 -0.482 -5.911 1.00 0.00 C ATOM 136 O PHE A 9 81.024 0.250 -4.951 1.00 0.00 O ATOM 137 CB PHE A 9 83.245 -1.795 -5.475 1.00 0.00 C ATOM 138 CG PHE A 9 84.385 -2.510 -6.164 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.589 -1.838 -6.405 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.242 -3.849 -6.553 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.648 -2.502 -7.033 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.301 -4.513 -7.183 1.00 0.00 C ATOM 143 CZ PHE A 9 86.504 -3.840 -7.422 1.00 0.00 C ATOM 0 H PHE A 9 83.720 0.785 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 9 82.477 -1.285 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.620 -1.249 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.522 -2.522 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.700 -0.806 -6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.314 -4.369 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.577 -1.983 -7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.189 -5.544 -7.484 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.322 -4.352 -7.907 1.00 0.00 H new ATOM 153 N LEU A 10 80.129 -1.012 -6.510 1.00 0.00 N ATOM 154 CA LEU A 10 78.753 -0.716 -6.012 1.00 0.00 C ATOM 155 C LEU A 10 78.426 -1.639 -4.850 1.00 0.00 C ATOM 156 O LEU A 10 78.188 -2.819 -5.019 1.00 0.00 O ATOM 157 CB LEU A 10 77.722 -0.920 -7.133 1.00 0.00 C ATOM 158 CG LEU A 10 76.267 -0.748 -6.580 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.484 0.250 -7.441 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.528 -2.095 -6.605 1.00 0.00 C ATOM 0 H LEU A 10 80.176 -1.633 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 10 78.714 0.322 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.900 -0.202 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.838 -1.914 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 10 76.336 -0.379 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.475 0.359 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.987 1.217 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.433 -0.116 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.518 -1.963 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.479 -2.464 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.063 -2.815 -5.985 1.00 0.00 H new ATOM 172 N VAL A 11 78.396 -1.091 -3.670 1.00 0.00 N ATOM 173 CA VAL A 11 78.062 -1.886 -2.458 1.00 0.00 C ATOM 174 C VAL A 11 76.794 -1.292 -1.862 1.00 0.00 C ATOM 175 O VAL A 11 76.522 -0.119 -2.030 1.00 0.00 O ATOM 176 CB VAL A 11 79.204 -1.777 -1.446 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.510 -2.247 -2.094 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.351 -0.319 -0.990 1.00 0.00 C ATOM 0 H VAL A 11 78.593 -0.106 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 11 77.917 -2.937 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 11 78.983 -2.404 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.323 -2.169 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.406 -3.284 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.732 -1.623 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.165 -0.244 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.570 0.311 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.423 0.012 -0.525 1.00 0.00 H new ATOM 188 N LYS A 12 76.015 -2.077 -1.169 1.00 0.00 N ATOM 189 CA LYS A 12 74.756 -1.544 -0.562 1.00 0.00 C ATOM 190 C LYS A 12 74.962 -1.441 0.947 1.00 0.00 C ATOM 191 O LYS A 12 75.596 -2.280 1.557 1.00 0.00 O ATOM 192 CB LYS A 12 73.581 -2.495 -0.892 1.00 0.00 C ATOM 193 CG LYS A 12 72.680 -1.873 -1.968 1.00 0.00 C ATOM 194 CD LYS A 12 71.677 -2.918 -2.454 1.00 0.00 C ATOM 195 CE LYS A 12 70.869 -2.348 -3.622 1.00 0.00 C ATOM 196 NZ LYS A 12 71.796 -1.922 -4.708 1.00 0.00 N ATOM 0 H LYS A 12 76.194 -3.066 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 12 74.519 -0.559 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.966 -3.453 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.000 -2.693 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.154 -1.009 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.284 -1.516 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.200 -3.821 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.009 -3.202 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.173 -3.099 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.272 -1.500 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.367 -2.131 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.974 -0.900 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.695 -2.437 -4.619 1.00 0.00 H new ATOM 210 N GLU A 13 74.435 -0.407 1.544 1.00 0.00 N ATOM 211 CA GLU A 13 74.590 -0.209 3.018 1.00 0.00 C ATOM 212 C GLU A 13 73.217 -0.228 3.675 1.00 0.00 C ATOM 213 O GLU A 13 72.209 -0.037 3.028 1.00 0.00 O ATOM 214 CB GLU A 13 75.256 1.141 3.282 1.00 0.00 C ATOM 215 CG GLU A 13 76.454 1.306 2.348 1.00 0.00 C ATOM 216 CD GLU A 13 77.324 2.468 2.832 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.764 3.468 3.249 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.536 2.337 2.776 1.00 0.00 O ATOM 0 H GLU A 13 73.897 0.318 1.070 1.00 0.00 H new ATOM 0 HA GLU A 13 75.206 -1.008 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.542 1.949 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.580 1.203 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.038 0.386 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.112 1.494 1.330 1.00 0.00 H new ATOM 225 N LYS A 14 73.173 -0.455 4.958 1.00 0.00 N ATOM 226 CA LYS A 14 71.868 -0.489 5.682 1.00 0.00 C ATOM 227 C LYS A 14 71.748 0.776 6.530 1.00 0.00 C ATOM 228 O LYS A 14 72.290 0.860 7.615 1.00 0.00 O ATOM 229 CB LYS A 14 71.808 -1.725 6.606 1.00 0.00 C ATOM 230 CG LYS A 14 72.429 -2.965 5.928 1.00 0.00 C ATOM 231 CD LYS A 14 71.472 -3.543 4.869 1.00 0.00 C ATOM 232 CE LYS A 14 70.460 -4.494 5.528 1.00 0.00 C ATOM 233 NZ LYS A 14 71.189 -5.576 6.249 1.00 0.00 N ATOM 0 H LYS A 14 73.992 -0.620 5.543 1.00 0.00 H new ATOM 0 HA LYS A 14 71.052 -0.543 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.337 -1.513 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.771 -1.934 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.376 -2.694 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.650 -3.724 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.945 -2.733 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.041 -4.077 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.826 -3.943 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.804 -4.925 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.725 -6.489 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.173 -5.615 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 71.178 -5.381 7.270 1.00 0.00 H new ATOM 351 N LEU A 21 68.068 -0.997 2.123 1.00 0.00 N ATOM 352 CA LEU A 21 69.520 -0.979 1.757 1.00 0.00 C ATOM 353 C LEU A 21 69.818 0.350 1.070 1.00 0.00 C ATOM 354 O LEU A 21 68.933 0.987 0.534 1.00 0.00 O ATOM 355 CB LEU A 21 69.853 -2.138 0.788 1.00 0.00 C ATOM 356 CG LEU A 21 68.961 -3.352 1.069 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.228 -4.432 0.020 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.279 -3.910 2.455 1.00 0.00 C ATOM 0 HA LEU A 21 70.124 -1.098 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.714 -1.809 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.901 -2.418 0.895 1.00 0.00 H new ATOM 0 HG LEU A 21 67.915 -3.049 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.594 -5.296 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.005 -4.039 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.275 -4.732 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.644 -4.773 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.325 -4.212 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.095 -3.143 3.207 1.00 0.00 H new ATOM 370 N VAL A 22 71.056 0.770 1.075 1.00 0.00 N ATOM 371 CA VAL A 22 71.417 2.065 0.415 1.00 0.00 C ATOM 372 C VAL A 22 72.626 1.839 -0.530 1.00 0.00 C ATOM 373 O VAL A 22 73.708 1.567 -0.050 1.00 0.00 O ATOM 374 CB VAL A 22 71.807 3.060 1.513 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.461 4.299 0.895 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.548 3.478 2.274 1.00 0.00 C ATOM 0 H VAL A 22 71.835 0.274 1.507 1.00 0.00 H new ATOM 0 HA VAL A 22 70.577 2.447 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 22 72.517 2.588 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.734 4.999 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.356 4.003 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.760 4.778 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.815 4.186 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.845 3.947 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 22 70.085 2.599 2.722 1.00 0.00 H new ATOM 386 N PRO A 23 72.442 1.975 -1.842 1.00 0.00 N ATOM 387 CA PRO A 23 73.562 1.800 -2.792 1.00 0.00 C ATOM 388 C PRO A 23 74.705 2.769 -2.464 1.00 0.00 C ATOM 389 O PRO A 23 74.490 3.876 -2.011 1.00 0.00 O ATOM 390 CB PRO A 23 72.953 2.118 -4.175 1.00 0.00 C ATOM 391 CG PRO A 23 71.417 2.122 -4.001 1.00 0.00 C ATOM 392 CD PRO A 23 71.140 2.269 -2.492 1.00 0.00 C ATOM 0 HA PRO A 23 73.988 0.798 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.303 3.085 -4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.256 1.373 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.967 2.944 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.982 1.200 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.793 3.273 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.366 1.576 -2.162 1.00 0.00 H new ATOM 400 N ARG A 24 75.917 2.349 -2.696 1.00 0.00 N ATOM 401 CA ARG A 24 77.089 3.225 -2.410 1.00 0.00 C ATOM 402 C ARG A 24 78.246 2.813 -3.321 1.00 0.00 C ATOM 403 O ARG A 24 78.429 1.647 -3.607 1.00 0.00 O ATOM 404 CB ARG A 24 77.497 3.053 -0.940 1.00 0.00 C ATOM 405 CG ARG A 24 78.442 4.190 -0.505 1.00 0.00 C ATOM 406 CD ARG A 24 77.629 5.396 -0.020 1.00 0.00 C ATOM 407 NE ARG A 24 77.152 5.151 1.371 1.00 0.00 N ATOM 408 CZ ARG A 24 76.717 6.147 2.095 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.705 7.356 1.604 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.295 5.934 3.312 1.00 0.00 N ATOM 0 H ARG A 24 76.148 1.430 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 24 76.834 4.269 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.609 3.049 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.990 2.090 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.100 3.842 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.079 4.483 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.242 6.297 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.780 5.565 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 24 77.165 4.207 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.036 7.524 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.365 8.133 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.305 4.990 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.955 6.712 3.877 1.00 0.00 H new ATOM 424 N LEU A 25 79.041 3.752 -3.763 1.00 0.00 N ATOM 425 CA LEU A 25 80.203 3.411 -4.637 1.00 0.00 C ATOM 426 C LEU A 25 81.461 3.463 -3.763 1.00 0.00 C ATOM 427 O LEU A 25 81.580 4.306 -2.896 1.00 0.00 O ATOM 428 CB LEU A 25 80.290 4.432 -5.778 1.00 0.00 C ATOM 429 CG LEU A 25 79.100 4.263 -6.736 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.016 5.484 -7.661 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.260 2.994 -7.589 1.00 0.00 C ATOM 0 H LEU A 25 78.935 4.745 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 25 80.097 2.419 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.297 5.443 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.225 4.301 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 25 78.189 4.174 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.173 5.367 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.877 6.385 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.938 5.569 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.406 2.896 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.176 3.063 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.312 2.122 -6.937 1.00 0.00 H new ATOM 443 N LEU A 26 82.380 2.546 -3.953 1.00 0.00 N ATOM 444 CA LEU A 26 83.617 2.510 -3.101 1.00 0.00 C ATOM 445 C LEU A 26 84.869 2.526 -3.983 1.00 0.00 C ATOM 446 O LEU A 26 85.194 1.562 -4.646 1.00 0.00 O ATOM 447 CB LEU A 26 83.588 1.224 -2.265 1.00 0.00 C ATOM 448 CG LEU A 26 84.733 1.220 -1.236 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.418 2.166 -0.066 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.917 -0.203 -0.695 1.00 0.00 C ATOM 0 H LEU A 26 82.328 1.817 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 26 83.644 3.384 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.630 1.139 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.677 0.357 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 26 85.645 1.561 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.241 2.147 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.288 3.180 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.501 1.842 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.727 -0.213 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.994 -0.533 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.161 -0.876 -1.517 1.00 0.00 H new ATOM 462 N GLY A 27 85.571 3.626 -3.977 1.00 0.00 N ATOM 463 CA GLY A 27 86.809 3.759 -4.795 1.00 0.00 C ATOM 464 C GLY A 27 87.991 3.080 -4.106 1.00 0.00 C ATOM 465 O GLY A 27 88.294 3.348 -2.960 1.00 0.00 O ATOM 0 H GLY A 27 85.334 4.453 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.651 3.314 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.033 4.814 -4.955 1.00 0.00 H new ATOM 469 N ILE A 28 88.674 2.210 -4.813 1.00 0.00 N ATOM 470 CA ILE A 28 89.862 1.505 -4.233 1.00 0.00 C ATOM 471 C ILE A 28 91.124 2.006 -4.940 1.00 0.00 C ATOM 472 O ILE A 28 91.210 1.985 -6.152 1.00 0.00 O ATOM 473 CB ILE A 28 89.737 -0.010 -4.464 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.358 -0.501 -4.006 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.826 -0.745 -3.678 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.069 -0.024 -2.582 1.00 0.00 C ATOM 0 H ILE A 28 88.456 1.956 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 28 89.915 1.706 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 28 89.855 -0.215 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.589 -0.130 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.320 -1.590 -4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.733 -1.818 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.807 -0.409 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.714 -0.532 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.087 -0.380 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.828 -0.417 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.086 1.065 -2.553 1.00 0.00 H new ATOM 488 N THR A 29 92.104 2.453 -4.193 1.00 0.00 N ATOM 489 CA THR A 29 93.371 2.955 -4.813 1.00 0.00 C ATOM 490 C THR A 29 94.552 2.299 -4.092 1.00 0.00 C ATOM 491 O THR A 29 94.399 1.710 -3.043 1.00 0.00 O ATOM 492 CB THR A 29 93.434 4.499 -4.670 1.00 0.00 C ATOM 493 OG1 THR A 29 92.353 4.934 -3.858 1.00 0.00 O ATOM 494 CG2 THR A 29 93.328 5.169 -6.047 1.00 0.00 C ATOM 0 H THR A 29 92.081 2.492 -3.174 1.00 0.00 H new ATOM 0 HA THR A 29 93.408 2.704 -5.873 1.00 0.00 H new ATOM 0 HB THR A 29 94.385 4.774 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 29 92.566 4.771 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 29 93.374 6.252 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.153 4.837 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 29 92.382 4.894 -6.513 1.00 0.00 H new ATOM 502 N LYS A 30 95.724 2.393 -4.651 1.00 0.00 N ATOM 503 CA LYS A 30 96.911 1.772 -4.003 1.00 0.00 C ATOM 504 C LYS A 30 97.330 2.600 -2.792 1.00 0.00 C ATOM 505 O LYS A 30 98.100 2.158 -1.963 1.00 0.00 O ATOM 506 CB LYS A 30 98.065 1.727 -5.006 1.00 0.00 C ATOM 507 CG LYS A 30 98.471 3.160 -5.361 1.00 0.00 C ATOM 508 CD LYS A 30 99.404 3.161 -6.581 1.00 0.00 C ATOM 509 CE LYS A 30 98.626 2.828 -7.866 1.00 0.00 C ATOM 510 NZ LYS A 30 99.339 3.414 -9.035 1.00 0.00 N ATOM 0 H LYS A 30 95.912 2.874 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 30 96.660 0.762 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.913 1.190 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.763 1.188 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.583 3.755 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.971 3.625 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.878 4.137 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 100.202 2.433 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.538 1.748 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.613 3.226 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.817 3.192 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.401 4.446 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.297 3.014 -9.094 1.00 0.00 H new ATOM 524 N GLU A 31 96.843 3.810 -2.696 1.00 0.00 N ATOM 525 CA GLU A 31 97.223 4.694 -1.552 1.00 0.00 C ATOM 526 C GLU A 31 96.088 4.781 -0.524 1.00 0.00 C ATOM 527 O GLU A 31 96.317 5.108 0.623 1.00 0.00 O ATOM 528 CB GLU A 31 97.515 6.101 -2.085 1.00 0.00 C ATOM 529 CG GLU A 31 98.748 6.083 -2.996 1.00 0.00 C ATOM 530 CD GLU A 31 99.369 7.483 -3.064 1.00 0.00 C ATOM 531 OE1 GLU A 31 98.620 8.445 -3.024 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.583 7.567 -3.155 1.00 0.00 O ATOM 0 H GLU A 31 96.195 4.227 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 31 98.104 4.274 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 31 96.652 6.474 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.680 6.785 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.480 5.369 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.467 5.752 -3.996 1.00 0.00 H new ATOM 539 N CYS A 32 94.866 4.518 -0.907 1.00 0.00 N ATOM 540 CA CYS A 32 93.761 4.627 0.093 1.00 0.00 C ATOM 541 C CYS A 32 92.435 4.133 -0.500 1.00 0.00 C ATOM 542 O CYS A 32 92.292 3.963 -1.695 1.00 0.00 O ATOM 543 CB CYS A 32 93.615 6.109 0.507 1.00 0.00 C ATOM 544 SG CYS A 32 94.207 7.175 -0.832 1.00 0.00 S ATOM 0 H CYS A 32 94.588 4.238 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 32 94.002 4.008 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.572 6.334 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.184 6.301 1.417 1.00 0.00 H new ATOM 0 HG CYS A 32 94.081 8.421 -0.483 1.00 0.00 H new ATOM 550 N VAL A 33 91.452 3.943 0.345 1.00 0.00 N ATOM 551 CA VAL A 33 90.102 3.506 -0.124 1.00 0.00 C ATOM 552 C VAL A 33 89.212 4.744 -0.124 1.00 0.00 C ATOM 553 O VAL A 33 89.196 5.478 0.839 1.00 0.00 O ATOM 554 CB VAL A 33 89.537 2.467 0.849 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.075 2.176 0.504 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.357 1.178 0.751 1.00 0.00 C ATOM 0 H VAL A 33 91.530 4.074 1.354 1.00 0.00 H new ATOM 0 HA VAL A 33 90.154 3.060 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 33 89.593 2.856 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.677 1.436 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.493 3.095 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.011 1.789 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.956 0.438 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.304 0.790 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.396 1.387 1.006 1.00 0.00 H new ATOM 566 N MET A 34 88.491 5.012 -1.190 1.00 0.00 N ATOM 567 CA MET A 34 87.638 6.245 -1.219 1.00 0.00 C ATOM 568 C MET A 34 86.170 5.908 -0.985 1.00 0.00 C ATOM 569 O MET A 34 85.651 4.945 -1.512 1.00 0.00 O ATOM 570 CB MET A 34 87.780 6.933 -2.587 1.00 0.00 C ATOM 571 CG MET A 34 89.207 6.759 -3.114 1.00 0.00 C ATOM 572 SD MET A 34 89.546 8.032 -4.354 1.00 0.00 S ATOM 573 CE MET A 34 91.216 7.488 -4.787 1.00 0.00 C ATOM 0 H MET A 34 88.456 4.437 -2.032 1.00 0.00 H new ATOM 0 HA MET A 34 87.974 6.908 -0.422 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.068 6.507 -3.294 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.543 7.993 -2.497 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.921 6.834 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.327 5.768 -3.551 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.692 8.240 -5.415 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.801 7.351 -3.878 1.00 0.00 H new ATOM 0 HE3 MET A 34 91.162 6.544 -5.329 1.00 0.00 H new ATOM 583 N ARG A 35 85.479 6.732 -0.238 1.00 0.00 N ATOM 584 CA ARG A 35 84.023 6.486 -0.025 1.00 0.00 C ATOM 585 C ARG A 35 83.306 7.289 -1.098 1.00 0.00 C ATOM 586 O ARG A 35 83.579 8.459 -1.278 1.00 0.00 O ATOM 587 CB ARG A 35 83.574 7.002 1.349 1.00 0.00 C ATOM 588 CG ARG A 35 84.016 6.045 2.477 1.00 0.00 C ATOM 589 CD ARG A 35 83.032 6.137 3.660 1.00 0.00 C ATOM 590 NE ARG A 35 82.426 7.499 3.712 1.00 0.00 N ATOM 591 CZ ARG A 35 81.357 7.710 4.431 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.811 6.725 5.092 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.835 8.904 4.488 1.00 0.00 N ATOM 0 H ARG A 35 85.857 7.556 0.229 1.00 0.00 H new ATOM 0 HA ARG A 35 83.804 5.419 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.994 7.992 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.489 7.109 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.054 5.022 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.022 6.301 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.250 5.385 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.552 5.925 4.594 1.00 0.00 H new ATOM 0 HE ARG A 35 82.847 8.265 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.220 5.792 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.976 6.889 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.262 9.673 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.000 9.069 5.050 1.00 0.00 H new ATOM 607 N VAL A 36 82.420 6.677 -1.839 1.00 0.00 N ATOM 608 CA VAL A 36 81.726 7.423 -2.927 1.00 0.00 C ATOM 609 C VAL A 36 80.234 7.094 -2.930 1.00 0.00 C ATOM 610 O VAL A 36 79.835 5.950 -3.011 1.00 0.00 O ATOM 611 CB VAL A 36 82.359 7.027 -4.261 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.749 7.858 -5.395 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.870 7.277 -4.199 1.00 0.00 C ATOM 0 H VAL A 36 82.149 5.699 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 36 81.833 8.496 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 36 82.169 5.971 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.205 7.571 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.675 7.679 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.933 8.916 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.325 6.996 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.056 8.334 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.305 6.680 -3.398 1.00 0.00 H new ATOM 623 N ASP A 37 79.411 8.104 -2.852 1.00 0.00 N ATOM 624 CA ASP A 37 77.941 7.880 -2.857 1.00 0.00 C ATOM 625 C ASP A 37 77.514 7.419 -4.246 1.00 0.00 C ATOM 626 O ASP A 37 78.096 7.793 -5.236 1.00 0.00 O ATOM 627 CB ASP A 37 77.221 9.187 -2.503 1.00 0.00 C ATOM 628 CG ASP A 37 75.780 8.883 -2.084 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.357 7.754 -2.267 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.126 9.786 -1.588 1.00 0.00 O ATOM 0 H ASP A 37 79.698 9.081 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 37 77.681 7.119 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.746 9.695 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.227 9.861 -3.360 1.00 0.00 H new ATOM 635 N GLU A 38 76.499 6.614 -4.323 1.00 0.00 N ATOM 636 CA GLU A 38 76.022 6.130 -5.647 1.00 0.00 C ATOM 637 C GLU A 38 74.995 7.122 -6.156 1.00 0.00 C ATOM 638 O GLU A 38 74.713 7.226 -7.333 1.00 0.00 O ATOM 639 CB GLU A 38 75.382 4.762 -5.447 1.00 0.00 C ATOM 640 CG GLU A 38 75.238 4.028 -6.778 1.00 0.00 C ATOM 641 CD GLU A 38 74.132 4.683 -7.608 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.207 5.211 -7.014 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.230 4.647 -8.824 1.00 0.00 O ATOM 0 H GLU A 38 75.973 6.266 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 38 76.837 6.044 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.989 4.168 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.402 4.879 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.181 4.055 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.002 2.978 -6.602 1.00 0.00 H new ATOM 650 N LYS A 39 74.446 7.850 -5.245 1.00 0.00 N ATOM 651 CA LYS A 39 73.431 8.863 -5.582 1.00 0.00 C ATOM 652 C LYS A 39 74.118 10.089 -6.174 1.00 0.00 C ATOM 653 O LYS A 39 73.736 10.592 -7.212 1.00 0.00 O ATOM 654 CB LYS A 39 72.718 9.251 -4.295 1.00 0.00 C ATOM 655 CG LYS A 39 71.544 10.183 -4.609 1.00 0.00 C ATOM 656 CD LYS A 39 70.995 10.790 -3.311 1.00 0.00 C ATOM 657 CE LYS A 39 70.256 9.726 -2.489 1.00 0.00 C ATOM 658 NZ LYS A 39 69.289 8.993 -3.356 1.00 0.00 N ATOM 0 H LYS A 39 74.665 7.784 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 39 72.720 8.470 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.358 8.357 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.415 9.745 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.869 10.976 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.758 9.630 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.813 11.208 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 39 70.318 11.612 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.972 9.027 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.729 10.197 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.542 8.574 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.862 9.654 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.787 8.239 -3.872 1.00 0.00 H new ATOM 672 N THR A 40 75.123 10.583 -5.503 1.00 0.00 N ATOM 673 CA THR A 40 75.844 11.796 -5.992 1.00 0.00 C ATOM 674 C THR A 40 77.148 11.397 -6.693 1.00 0.00 C ATOM 675 O THR A 40 77.823 12.231 -7.264 1.00 0.00 O ATOM 676 CB THR A 40 76.163 12.702 -4.795 1.00 0.00 C ATOM 677 OG1 THR A 40 75.063 12.696 -3.896 1.00 0.00 O ATOM 678 CG2 THR A 40 76.415 14.131 -5.282 1.00 0.00 C ATOM 0 H THR A 40 75.479 10.196 -4.629 1.00 0.00 H new ATOM 0 HA THR A 40 75.212 12.325 -6.706 1.00 0.00 H new ATOM 0 HB THR A 40 77.054 12.332 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 40 75.264 13.272 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 40 76.641 14.771 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 40 77.258 14.136 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 40 75.526 14.504 -5.790 1.00 0.00 H new ATOM 686 N LYS A 41 77.521 10.142 -6.662 1.00 0.00 N ATOM 687 CA LYS A 41 78.791 9.749 -7.340 1.00 0.00 C ATOM 688 C LYS A 41 79.919 10.681 -6.888 1.00 0.00 C ATOM 689 O LYS A 41 80.905 10.854 -7.577 1.00 0.00 O ATOM 690 CB LYS A 41 78.606 9.860 -8.856 1.00 0.00 C ATOM 691 CG LYS A 41 77.474 8.928 -9.304 1.00 0.00 C ATOM 692 CD LYS A 41 76.966 9.361 -10.682 1.00 0.00 C ATOM 693 CE LYS A 41 78.137 9.455 -11.665 1.00 0.00 C ATOM 694 NZ LYS A 41 78.841 10.755 -11.473 1.00 0.00 N ATOM 0 H LYS A 41 77.011 9.386 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 41 79.047 8.722 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.374 10.889 -9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.532 9.596 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.831 7.899 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.659 8.955 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 41 76.229 8.646 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.464 10.326 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.828 8.627 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.774 9.373 -12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 79.095 11.153 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 78.216 11.418 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 79.704 10.603 -10.914 1.00 0.00 H new ATOM 708 N GLU A 42 79.778 11.285 -5.731 1.00 0.00 N ATOM 709 CA GLU A 42 80.838 12.215 -5.217 1.00 0.00 C ATOM 710 C GLU A 42 81.644 11.501 -4.126 1.00 0.00 C ATOM 711 O GLU A 42 81.214 10.511 -3.582 1.00 0.00 O ATOM 712 CB GLU A 42 80.160 13.479 -4.637 1.00 0.00 C ATOM 713 CG GLU A 42 80.705 14.746 -5.307 1.00 0.00 C ATOM 714 CD GLU A 42 80.396 14.712 -6.805 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.280 14.360 -7.152 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.281 15.037 -7.581 1.00 0.00 O ATOM 0 H GLU A 42 78.971 11.174 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 42 81.509 12.506 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.082 13.419 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.332 13.528 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.257 15.630 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.781 14.818 -5.150 1.00 0.00 H new ATOM 723 N VAL A 43 82.802 12.010 -3.800 1.00 0.00 N ATOM 724 CA VAL A 43 83.637 11.369 -2.739 1.00 0.00 C ATOM 725 C VAL A 43 83.182 11.865 -1.369 1.00 0.00 C ATOM 726 O VAL A 43 83.125 13.052 -1.116 1.00 0.00 O ATOM 727 CB VAL A 43 85.108 11.737 -2.956 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.945 11.230 -1.779 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.609 11.091 -4.248 1.00 0.00 C ATOM 0 H VAL A 43 83.208 12.845 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 43 83.524 10.286 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 43 85.202 12.821 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.991 11.493 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.590 11.689 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.851 10.147 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.656 11.352 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.512 10.008 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.016 11.452 -5.089 1.00 0.00 H new ATOM 739 N ILE A 44 82.845 10.961 -0.482 1.00 0.00 N ATOM 740 CA ILE A 44 82.380 11.367 0.876 1.00 0.00 C ATOM 741 C ILE A 44 83.507 11.191 1.898 1.00 0.00 C ATOM 742 O ILE A 44 83.536 11.855 2.915 1.00 0.00 O ATOM 743 CB ILE A 44 81.190 10.497 1.280 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.182 10.429 0.124 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.519 11.101 2.514 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.832 11.841 -0.359 1.00 0.00 C ATOM 0 H ILE A 44 82.873 9.954 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 44 82.085 12.416 0.853 1.00 0.00 H new ATOM 0 HB ILE A 44 81.537 9.490 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.600 9.849 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.278 9.914 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.670 10.483 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.236 11.143 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.173 12.108 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.116 11.778 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.394 12.408 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.736 12.342 -0.704 1.00 0.00 H new ATOM 758 N GLN A 45 84.433 10.302 1.650 1.00 0.00 N ATOM 759 CA GLN A 45 85.539 10.101 2.634 1.00 0.00 C ATOM 760 C GLN A 45 86.625 9.196 2.047 1.00 0.00 C ATOM 761 O GLN A 45 86.438 8.538 1.044 1.00 0.00 O ATOM 762 CB GLN A 45 84.985 9.462 3.913 1.00 0.00 C ATOM 763 CG GLN A 45 86.098 9.345 4.963 1.00 0.00 C ATOM 764 CD GLN A 45 85.480 9.176 6.352 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.515 8.457 6.518 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.000 9.815 7.363 1.00 0.00 N ATOM 0 H GLN A 45 84.473 9.712 0.819 1.00 0.00 H new ATOM 0 HA GLN A 45 85.975 11.073 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.165 10.064 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.578 8.476 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.740 8.494 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.728 10.234 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.810 10.418 7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.596 9.711 8.294 1.00 0.00 H new ATOM 775 N GLU A 46 87.765 9.173 2.683 1.00 0.00 N ATOM 776 CA GLU A 46 88.908 8.334 2.213 1.00 0.00 C ATOM 777 C GLU A 46 89.592 7.670 3.417 1.00 0.00 C ATOM 778 O GLU A 46 89.479 8.124 4.539 1.00 0.00 O ATOM 779 CB GLU A 46 89.917 9.221 1.464 1.00 0.00 C ATOM 780 CG GLU A 46 89.485 9.384 0.003 1.00 0.00 C ATOM 781 CD GLU A 46 90.245 10.552 -0.630 1.00 0.00 C ATOM 782 OE1 GLU A 46 89.886 11.685 -0.356 1.00 0.00 O ATOM 783 OE2 GLU A 46 91.174 10.293 -1.379 1.00 0.00 O ATOM 0 H GLU A 46 87.957 9.712 3.527 1.00 0.00 H new ATOM 0 HA GLU A 46 88.539 7.559 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.982 10.197 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.911 8.776 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.683 8.466 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.411 9.563 -0.051 1.00 0.00 H new ATOM 790 N TRP A 47 90.307 6.593 3.184 1.00 0.00 N ATOM 791 CA TRP A 47 91.010 5.884 4.299 1.00 0.00 C ATOM 792 C TRP A 47 92.394 5.438 3.832 1.00 0.00 C ATOM 793 O TRP A 47 92.596 5.115 2.683 1.00 0.00 O ATOM 794 CB TRP A 47 90.221 4.637 4.708 1.00 0.00 C ATOM 795 CG TRP A 47 88.937 5.006 5.392 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.796 5.931 6.377 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.607 4.451 5.168 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.467 5.980 6.755 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.698 5.089 6.042 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.105 3.467 4.294 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.345 4.764 6.055 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.739 3.137 4.305 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.861 3.785 5.183 1.00 0.00 C ATOM 0 H TRP A 47 90.433 6.174 2.263 1.00 0.00 H new ATOM 0 HA TRP A 47 91.095 6.567 5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.006 4.034 3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.827 4.022 5.374 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.591 6.530 6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.101 6.602 7.476 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.774 2.963 3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.673 5.266 6.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.364 2.379 3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.812 3.529 5.186 1.00 0.00 H new ATOM 814 N SER A 48 93.344 5.391 4.723 1.00 0.00 N ATOM 815 CA SER A 48 94.711 4.944 4.332 1.00 0.00 C ATOM 816 C SER A 48 94.762 3.414 4.338 1.00 0.00 C ATOM 817 O SER A 48 94.214 2.769 5.209 1.00 0.00 O ATOM 818 CB SER A 48 95.732 5.500 5.323 1.00 0.00 C ATOM 819 OG SER A 48 95.417 6.858 5.607 1.00 0.00 O ATOM 0 H SER A 48 93.234 5.643 5.705 1.00 0.00 H new ATOM 0 HA SER A 48 94.946 5.310 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.723 4.912 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.737 5.427 4.908 1.00 0.00 H new ATOM 0 HG SER A 48 96.069 7.219 6.244 1.00 0.00 H new ATOM 825 N LEU A 49 95.411 2.828 3.369 1.00 0.00 N ATOM 826 CA LEU A 49 95.491 1.342 3.318 1.00 0.00 C ATOM 827 C LEU A 49 96.288 0.836 4.525 1.00 0.00 C ATOM 828 O LEU A 49 96.057 -0.248 5.023 1.00 0.00 O ATOM 829 CB LEU A 49 96.193 0.919 2.011 1.00 0.00 C ATOM 830 CG LEU A 49 95.161 0.738 0.878 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.844 0.929 -0.483 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.553 -0.670 0.942 1.00 0.00 C ATOM 0 H LEU A 49 95.889 3.315 2.611 1.00 0.00 H new ATOM 0 HA LEU A 49 94.489 0.914 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.927 1.672 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.737 -0.013 2.168 1.00 0.00 H new ATOM 0 HG LEU A 49 94.372 1.480 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.111 0.800 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.269 1.931 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.638 0.191 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.826 -0.789 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.343 -1.413 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.058 -0.809 1.903 1.00 0.00 H new ATOM 844 N THR A 50 97.231 1.607 4.989 1.00 0.00 N ATOM 845 CA THR A 50 98.049 1.168 6.152 1.00 0.00 C ATOM 846 C THR A 50 97.244 1.315 7.444 1.00 0.00 C ATOM 847 O THR A 50 97.663 0.883 8.499 1.00 0.00 O ATOM 848 CB THR A 50 99.314 2.027 6.238 1.00 0.00 C ATOM 849 OG1 THR A 50 98.951 3.401 6.245 1.00 0.00 O ATOM 850 CG2 THR A 50 100.211 1.740 5.034 1.00 0.00 C ATOM 0 H THR A 50 97.471 2.524 4.612 1.00 0.00 H new ATOM 0 HA THR A 50 98.324 0.121 6.021 1.00 0.00 H new ATOM 0 HB THR A 50 99.854 1.789 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.759 3.953 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.111 2.352 5.097 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.489 0.686 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.674 1.977 4.116 1.00 0.00 H new ATOM 858 N ASN A 51 96.090 1.924 7.375 1.00 0.00 N ATOM 859 CA ASN A 51 95.260 2.101 8.606 1.00 0.00 C ATOM 860 C ASN A 51 94.314 0.907 8.767 1.00 0.00 C ATOM 861 O ASN A 51 93.646 0.766 9.772 1.00 0.00 O ATOM 862 CB ASN A 51 94.436 3.390 8.484 1.00 0.00 C ATOM 863 CG ASN A 51 95.326 4.600 8.782 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.487 4.451 9.106 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.825 5.802 8.683 1.00 0.00 N ATOM 0 H ASN A 51 95.685 2.307 6.521 1.00 0.00 H new ATOM 0 HA ASN A 51 95.914 2.164 9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.017 3.472 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.596 3.364 9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.409 6.615 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.850 5.927 8.411 1.00 0.00 H new ATOM 872 N ILE A 52 94.243 0.050 7.785 1.00 0.00 N ATOM 873 CA ILE A 52 93.329 -1.124 7.887 1.00 0.00 C ATOM 874 C ILE A 52 93.910 -2.161 8.854 1.00 0.00 C ATOM 875 O ILE A 52 95.029 -2.611 8.703 1.00 0.00 O ATOM 876 CB ILE A 52 93.154 -1.755 6.505 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.482 -0.740 5.569 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.278 -3.007 6.623 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.468 -1.277 4.133 1.00 0.00 C ATOM 0 H ILE A 52 94.777 0.111 6.918 1.00 0.00 H new ATOM 0 HA ILE A 52 92.362 -0.791 8.263 1.00 0.00 H new ATOM 0 HB ILE A 52 94.127 -2.034 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.463 -0.545 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 52 93.016 0.209 5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 52 92.153 -3.457 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.755 -3.723 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.302 -2.732 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.989 -0.550 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.491 -1.449 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.914 -2.215 4.101 1.00 0.00 H new ATOM 891 N LYS A 53 93.148 -2.548 9.842 1.00 0.00 N ATOM 892 CA LYS A 53 93.635 -3.563 10.822 1.00 0.00 C ATOM 893 C LYS A 53 93.420 -4.960 10.224 1.00 0.00 C ATOM 894 O LYS A 53 94.324 -5.770 10.160 1.00 0.00 O ATOM 895 CB LYS A 53 92.835 -3.408 12.133 1.00 0.00 C ATOM 896 CG LYS A 53 93.680 -3.841 13.338 1.00 0.00 C ATOM 897 CD LYS A 53 93.943 -5.345 13.267 1.00 0.00 C ATOM 898 CE LYS A 53 94.517 -5.831 14.603 1.00 0.00 C ATOM 899 NZ LYS A 53 95.368 -4.761 15.199 1.00 0.00 N ATOM 0 H LYS A 53 92.204 -2.203 10.013 1.00 0.00 H new ATOM 0 HA LYS A 53 94.695 -3.423 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 92.524 -2.370 12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 53 91.927 -4.009 12.084 1.00 0.00 H new ATOM 0 HG2 LYS A 53 94.624 -3.297 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 53 93.162 -3.596 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.018 -5.876 13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.641 -5.565 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.708 -6.089 15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.106 -6.735 14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.965 -5.169 15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.972 -4.346 14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.761 -4.021 15.606 1.00 0.00 H new ATOM 913 N ARG A 54 92.228 -5.234 9.770 1.00 0.00 N ATOM 914 CA ARG A 54 91.936 -6.562 9.154 1.00 0.00 C ATOM 915 C ARG A 54 90.550 -6.517 8.514 1.00 0.00 C ATOM 916 O ARG A 54 89.832 -5.546 8.642 1.00 0.00 O ATOM 917 CB ARG A 54 91.997 -7.688 10.204 1.00 0.00 C ATOM 918 CG ARG A 54 91.246 -7.304 11.507 1.00 0.00 C ATOM 919 CD ARG A 54 89.811 -7.852 11.481 1.00 0.00 C ATOM 920 NE ARG A 54 89.015 -7.240 12.598 1.00 0.00 N ATOM 921 CZ ARG A 54 89.388 -7.346 13.847 1.00 0.00 C ATOM 922 NH1 ARG A 54 90.363 -8.143 14.184 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.742 -6.689 14.771 1.00 0.00 N ATOM 0 H ARG A 54 91.437 -4.591 9.799 1.00 0.00 H new ATOM 0 HA ARG A 54 92.691 -6.773 8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.562 -8.597 9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.038 -7.911 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.778 -7.702 12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 54 91.226 -6.220 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.343 -7.627 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 54 89.824 -8.937 11.583 1.00 0.00 H new ATOM 0 HE ARG A 54 88.161 -6.728 12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 54 90.843 -8.692 13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 90.646 -8.218 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.951 -6.097 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.028 -6.767 15.747 1.00 0.00 H new ATOM 937 N TRP A 55 90.167 -7.552 7.813 1.00 0.00 N ATOM 938 CA TRP A 55 88.824 -7.547 7.155 1.00 0.00 C ATOM 939 C TRP A 55 88.259 -8.961 7.091 1.00 0.00 C ATOM 940 O TRP A 55 88.918 -9.923 7.410 1.00 0.00 O ATOM 941 CB TRP A 55 88.940 -6.990 5.729 1.00 0.00 C ATOM 942 CG TRP A 55 89.894 -7.822 4.929 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.608 -9.028 4.385 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.271 -7.524 4.560 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.731 -9.495 3.721 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.778 -8.601 3.796 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.122 -6.436 4.815 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.083 -8.598 3.303 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.435 -6.427 4.320 1.00 0.00 C ATOM 950 CH2 TRP A 55 93.915 -7.507 3.565 1.00 0.00 C ATOM 0 H TRP A 55 90.721 -8.396 7.667 1.00 0.00 H new ATOM 0 HA TRP A 55 88.156 -6.917 7.743 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.960 -6.985 5.251 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.285 -5.956 5.761 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.661 -9.542 4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.777 -10.391 3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.763 -5.600 5.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.447 -9.433 2.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.079 -5.584 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 55 94.927 -7.495 3.187 1.00 0.00 H new ATOM 961 N ALA A 56 87.030 -9.084 6.674 1.00 0.00 N ATOM 962 CA ALA A 56 86.391 -10.428 6.563 1.00 0.00 C ATOM 963 C ALA A 56 85.446 -10.394 5.362 1.00 0.00 C ATOM 964 O ALA A 56 84.395 -9.786 5.407 1.00 0.00 O ATOM 965 CB ALA A 56 85.606 -10.736 7.842 1.00 0.00 C ATOM 0 H ALA A 56 86.433 -8.303 6.402 1.00 0.00 H new ATOM 0 HA ALA A 56 87.146 -11.203 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.141 -11.718 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.284 -10.729 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.834 -9.981 7.986 1.00 0.00 H new ATOM 971 N ALA A 57 85.826 -11.017 4.276 1.00 0.00 N ATOM 972 CA ALA A 57 84.968 -10.997 3.053 1.00 0.00 C ATOM 973 C ALA A 57 84.167 -12.290 2.932 1.00 0.00 C ATOM 974 O ALA A 57 84.649 -13.367 3.223 1.00 0.00 O ATOM 975 CB ALA A 57 85.864 -10.838 1.822 1.00 0.00 C ATOM 0 H ALA A 57 86.697 -11.540 4.183 1.00 0.00 H new ATOM 0 HA ALA A 57 84.269 -10.164 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.248 -10.822 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.422 -9.904 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.561 -11.674 1.769 1.00 0.00 H new ATOM 981 N SER A 58 82.943 -12.185 2.485 1.00 0.00 N ATOM 982 CA SER A 58 82.089 -13.389 2.312 1.00 0.00 C ATOM 983 C SER A 58 81.245 -13.190 1.039 1.00 0.00 C ATOM 984 O SER A 58 81.054 -12.069 0.611 1.00 0.00 O ATOM 985 CB SER A 58 81.180 -13.543 3.544 1.00 0.00 C ATOM 986 OG SER A 58 81.713 -14.552 4.393 1.00 0.00 O ATOM 0 H SER A 58 82.497 -11.304 2.230 1.00 0.00 H new ATOM 0 HA SER A 58 82.695 -14.290 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 58 81.112 -12.597 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 58 80.169 -13.808 3.234 1.00 0.00 H new ATOM 0 HG SER A 58 81.139 -14.654 5.181 1.00 0.00 H new ATOM 992 N PRO A 59 80.752 -14.267 0.472 1.00 0.00 N ATOM 993 CA PRO A 59 79.920 -14.181 -0.744 1.00 0.00 C ATOM 994 C PRO A 59 78.694 -13.301 -0.463 1.00 0.00 C ATOM 995 O PRO A 59 77.861 -13.087 -1.322 1.00 0.00 O ATOM 996 CB PRO A 59 79.508 -15.644 -1.037 1.00 0.00 C ATOM 997 CG PRO A 59 79.997 -16.506 0.161 1.00 0.00 C ATOM 998 CD PRO A 59 80.969 -15.639 0.978 1.00 0.00 C ATOM 0 HA PRO A 59 80.440 -13.735 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.427 -15.724 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.955 -15.991 -1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 59 79.155 -16.823 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.492 -17.410 -0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.760 -15.706 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 59 82.002 -15.957 0.834 1.00 0.00 H new ATOM 1006 N LYS A 60 78.571 -12.813 0.746 1.00 0.00 N ATOM 1007 CA LYS A 60 77.397 -11.968 1.121 1.00 0.00 C ATOM 1008 C LYS A 60 77.813 -10.506 1.271 1.00 0.00 C ATOM 1009 O LYS A 60 77.313 -9.635 0.588 1.00 0.00 O ATOM 1010 CB LYS A 60 76.842 -12.455 2.468 1.00 0.00 C ATOM 1011 CG LYS A 60 76.911 -13.977 2.546 1.00 0.00 C ATOM 1012 CD LYS A 60 76.058 -14.587 1.434 1.00 0.00 C ATOM 1013 CE LYS A 60 75.960 -16.100 1.637 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.430 -16.386 3.000 1.00 0.00 N ATOM 0 H LYS A 60 79.243 -12.966 1.498 1.00 0.00 H new ATOM 0 HA LYS A 60 76.643 -12.049 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 60 77.413 -12.015 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.810 -12.124 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.944 -14.310 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.556 -14.318 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.062 -14.143 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 76.499 -14.368 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.306 -16.537 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.941 -16.558 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.942 -17.304 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 76.217 -16.414 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.761 -15.639 3.276 1.00 0.00 H new ATOM 1028 N SER A 61 78.693 -10.230 2.198 1.00 0.00 N ATOM 1029 CA SER A 61 79.113 -8.812 2.444 1.00 0.00 C ATOM 1030 C SER A 61 80.623 -8.708 2.683 1.00 0.00 C ATOM 1031 O SER A 61 81.321 -9.693 2.828 1.00 0.00 O ATOM 1032 CB SER A 61 78.383 -8.306 3.687 1.00 0.00 C ATOM 1033 OG SER A 61 78.477 -9.284 4.714 1.00 0.00 O ATOM 0 H SER A 61 79.141 -10.923 2.797 1.00 0.00 H new ATOM 0 HA SER A 61 78.865 -8.216 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.820 -7.366 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.337 -8.106 3.453 1.00 0.00 H new ATOM 0 HG SER A 61 78.012 -8.963 5.515 1.00 0.00 H new ATOM 1039 N PHE A 62 81.114 -7.492 2.738 1.00 0.00 N ATOM 1040 CA PHE A 62 82.571 -7.239 2.984 1.00 0.00 C ATOM 1041 C PHE A 62 82.702 -6.423 4.274 1.00 0.00 C ATOM 1042 O PHE A 62 81.911 -5.536 4.528 1.00 0.00 O ATOM 1043 CB PHE A 62 83.152 -6.443 1.809 1.00 0.00 C ATOM 1044 CG PHE A 62 84.641 -6.231 2.004 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.507 -7.331 2.046 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.158 -4.934 2.136 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.883 -7.137 2.221 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.534 -4.742 2.310 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.396 -5.843 2.352 1.00 0.00 C ATOM 0 H PHE A 62 80.555 -6.647 2.620 1.00 0.00 H new ATOM 0 HA PHE A 62 83.112 -8.180 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.973 -6.976 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.648 -5.480 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.113 -8.331 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.494 -4.083 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.548 -7.987 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.930 -3.743 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.457 -5.694 2.486 1.00 0.00 H new ATOM 1059 N THR A 63 83.678 -6.718 5.100 1.00 0.00 N ATOM 1060 CA THR A 63 83.836 -5.962 6.386 1.00 0.00 C ATOM 1061 C THR A 63 85.308 -5.615 6.602 1.00 0.00 C ATOM 1062 O THR A 63 86.151 -6.484 6.627 1.00 0.00 O ATOM 1063 CB THR A 63 83.346 -6.846 7.544 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.933 -6.970 7.476 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.740 -6.224 8.890 1.00 0.00 C ATOM 0 H THR A 63 84.372 -7.449 4.940 1.00 0.00 H new ATOM 0 HA THR A 63 83.253 -5.042 6.345 1.00 0.00 H new ATOM 0 HB THR A 63 83.808 -7.830 7.460 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.616 -6.633 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.387 -6.860 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.825 -6.133 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.288 -5.236 8.980 1.00 0.00 H new ATOM 1073 N LEU A 64 85.616 -4.350 6.783 1.00 0.00 N ATOM 1074 CA LEU A 64 87.037 -3.935 7.028 1.00 0.00 C ATOM 1075 C LEU A 64 87.138 -3.375 8.445 1.00 0.00 C ATOM 1076 O LEU A 64 86.165 -2.920 9.013 1.00 0.00 O ATOM 1077 CB LEU A 64 87.478 -2.865 6.012 1.00 0.00 C ATOM 1078 CG LEU A 64 86.319 -1.890 5.718 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.885 -0.511 5.342 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.451 -2.421 4.555 1.00 0.00 C ATOM 0 H LEU A 64 84.942 -3.585 6.771 1.00 0.00 H new ATOM 0 HA LEU A 64 87.691 -4.799 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.334 -2.315 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.802 -3.344 5.088 1.00 0.00 H new ATOM 0 HG LEU A 64 85.701 -1.803 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.064 0.175 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.481 -0.125 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.512 -0.604 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.638 -1.722 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.065 -2.523 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.037 -3.393 4.824 1.00 0.00 H new ATOM 1092 N ASP A 65 88.310 -3.420 9.022 1.00 0.00 N ATOM 1093 CA ASP A 65 88.497 -2.907 10.416 1.00 0.00 C ATOM 1094 C ASP A 65 89.699 -1.969 10.467 1.00 0.00 C ATOM 1095 O ASP A 65 90.759 -2.275 9.960 1.00 0.00 O ATOM 1096 CB ASP A 65 88.742 -4.090 11.354 1.00 0.00 C ATOM 1097 CG ASP A 65 87.707 -5.182 11.078 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.571 -5.565 9.927 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.068 -5.617 12.021 1.00 0.00 O ATOM 0 H ASP A 65 89.153 -3.793 8.586 1.00 0.00 H new ATOM 0 HA ASP A 65 87.604 -2.363 10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.748 -4.482 11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.675 -3.765 12.392 1.00 0.00 H new ATOM 1104 N PHE A 66 89.543 -0.831 11.089 1.00 0.00 N ATOM 1105 CA PHE A 66 90.671 0.141 11.198 1.00 0.00 C ATOM 1106 C PHE A 66 91.248 0.057 12.608 1.00 0.00 C ATOM 1107 O PHE A 66 92.186 0.748 12.953 1.00 0.00 O ATOM 1108 CB PHE A 66 90.142 1.551 10.950 1.00 0.00 C ATOM 1109 CG PHE A 66 89.729 1.682 9.503 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.703 1.762 8.501 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.371 1.718 9.164 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.319 1.877 7.160 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.987 1.835 7.823 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.962 1.914 6.821 1.00 0.00 C ATOM 0 H PHE A 66 88.674 -0.530 11.531 1.00 0.00 H new ATOM 0 HA PHE A 66 91.443 -0.091 10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.292 1.753 11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.910 2.287 11.189 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.751 1.735 8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.620 1.655 9.937 1.00 0.00 H new ATOM 0 HE1 PHE A 66 91.070 1.937 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.940 1.864 7.561 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.666 2.004 5.786 1.00 0.00 H new ATOM 1124 N GLY A 67 90.685 -0.789 13.426 1.00 0.00 N ATOM 1125 CA GLY A 67 91.183 -0.933 14.824 1.00 0.00 C ATOM 1126 C GLY A 67 90.500 0.103 15.719 1.00 0.00 C ATOM 1127 O GLY A 67 90.709 0.136 16.916 1.00 0.00 O ATOM 0 H GLY A 67 89.897 -1.390 13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 67 90.979 -1.938 15.192 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.264 -0.797 14.852 1.00 0.00 H new ATOM 1131 N ASP A 68 89.684 0.952 15.151 1.00 0.00 N ATOM 1132 CA ASP A 68 88.990 1.984 15.975 1.00 0.00 C ATOM 1133 C ASP A 68 87.727 1.384 16.598 1.00 0.00 C ATOM 1134 O ASP A 68 86.628 1.606 16.131 1.00 0.00 O ATOM 1135 CB ASP A 68 88.606 3.169 15.085 1.00 0.00 C ATOM 1136 CG ASP A 68 88.149 2.654 13.721 1.00 0.00 C ATOM 1137 OD1 ASP A 68 87.842 1.476 13.628 1.00 0.00 O ATOM 1138 OD2 ASP A 68 88.113 3.444 12.793 1.00 0.00 O ATOM 0 H ASP A 68 89.469 0.975 14.154 1.00 0.00 H new ATOM 0 HA ASP A 68 89.657 2.322 16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.809 3.746 15.554 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.457 3.839 14.966 1.00 0.00 H new ATOM 1143 N TYR A 69 87.872 0.634 17.655 1.00 0.00 N ATOM 1144 CA TYR A 69 86.679 0.034 18.310 1.00 0.00 C ATOM 1145 C TYR A 69 85.625 1.120 18.531 1.00 0.00 C ATOM 1146 O TYR A 69 84.455 0.932 18.266 1.00 0.00 O ATOM 1147 CB TYR A 69 87.092 -0.558 19.659 1.00 0.00 C ATOM 1148 CG TYR A 69 85.865 -1.039 20.396 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.267 -2.251 20.036 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.326 -0.273 21.436 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.129 -2.700 20.717 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.189 -0.721 22.118 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.590 -1.935 21.758 1.00 0.00 C ATOM 1154 OH TYR A 69 82.469 -2.377 22.430 1.00 0.00 O ATOM 0 H TYR A 69 88.766 0.411 18.093 1.00 0.00 H new ATOM 0 HA TYR A 69 86.265 -0.751 17.677 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.786 -1.385 19.508 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.615 0.192 20.252 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.683 -2.841 19.233 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.787 0.664 21.712 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.667 -3.636 20.439 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.774 -0.131 22.922 1.00 0.00 H new ATOM 0 HH TYR A 69 82.227 -1.729 23.124 1.00 0.00 H new ATOM 1164 N GLN A 70 86.039 2.255 19.019 1.00 0.00 N ATOM 1165 CA GLN A 70 85.075 3.362 19.266 1.00 0.00 C ATOM 1166 C GLN A 70 84.323 3.692 17.976 1.00 0.00 C ATOM 1167 O GLN A 70 83.109 3.678 17.935 1.00 0.00 O ATOM 1168 CB GLN A 70 85.829 4.606 19.754 1.00 0.00 C ATOM 1169 CG GLN A 70 86.935 4.990 18.764 1.00 0.00 C ATOM 1170 CD GLN A 70 87.983 5.858 19.467 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.845 5.352 20.157 1.00 0.00 O ATOM 1172 NE2 GLN A 70 87.946 7.154 19.317 1.00 0.00 N ATOM 0 H GLN A 70 87.008 2.464 19.258 1.00 0.00 H new ATOM 0 HA GLN A 70 84.361 3.050 20.028 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.133 5.437 19.871 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.263 4.413 20.735 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.404 4.092 18.362 1.00 0.00 H new ATOM 0 HG3 GLN A 70 86.508 5.532 17.920 1.00 0.00 H new ATOM 0 HE21 GLN A 70 87.223 7.580 18.738 1.00 0.00 H new ATOM 0 HE22 GLN A 70 88.641 7.741 19.779 1.00 0.00 H new ATOM 1181 N ASP A 71 85.031 3.990 16.924 1.00 0.00 N ATOM 1182 CA ASP A 71 84.351 4.320 15.646 1.00 0.00 C ATOM 1183 C ASP A 71 83.548 3.108 15.180 1.00 0.00 C ATOM 1184 O ASP A 71 82.493 3.234 14.590 1.00 0.00 O ATOM 1185 CB ASP A 71 85.401 4.678 14.597 1.00 0.00 C ATOM 1186 CG ASP A 71 84.737 5.414 13.431 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.118 4.752 12.614 1.00 0.00 O ATOM 1188 OD2 ASP A 71 84.859 6.627 13.375 1.00 0.00 O ATOM 0 H ASP A 71 86.050 4.019 16.895 1.00 0.00 H new ATOM 0 HA ASP A 71 83.680 5.167 15.789 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.174 5.304 15.042 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.892 3.774 14.237 1.00 0.00 H new ATOM 1193 N GLY A 72 84.044 1.932 15.450 1.00 0.00 N ATOM 1194 CA GLY A 72 83.323 0.693 15.036 1.00 0.00 C ATOM 1195 C GLY A 72 83.846 0.223 13.678 1.00 0.00 C ATOM 1196 O GLY A 72 84.595 0.913 13.015 1.00 0.00 O ATOM 0 H GLY A 72 84.923 1.774 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.465 -0.089 15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.252 0.886 14.977 1.00 0.00 H new ATOM 1200 N TYR A 73 83.458 -0.951 13.262 1.00 0.00 N ATOM 1201 CA TYR A 73 83.930 -1.475 11.950 1.00 0.00 C ATOM 1202 C TYR A 73 83.125 -0.836 10.819 1.00 0.00 C ATOM 1203 O TYR A 73 82.162 -0.131 11.048 1.00 0.00 O ATOM 1204 CB TYR A 73 83.729 -2.990 11.908 1.00 0.00 C ATOM 1205 CG TYR A 73 84.339 -3.613 13.137 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.726 -3.728 13.236 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.521 -4.075 14.173 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.302 -4.305 14.373 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.094 -4.653 15.312 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.486 -4.768 15.412 1.00 0.00 C ATOM 1211 OH TYR A 73 86.053 -5.338 16.533 1.00 0.00 O ATOM 0 H TYR A 73 82.833 -1.572 13.776 1.00 0.00 H new ATOM 0 HA TYR A 73 84.986 -1.236 11.827 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.666 -3.225 11.858 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.190 -3.404 11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.356 -3.371 12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.448 -3.986 14.094 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.376 -4.393 14.449 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.463 -5.010 16.113 1.00 0.00 H new ATOM 0 HH TYR A 73 85.346 -5.605 17.157 1.00 0.00 H new ATOM 1221 N TYR A 74 83.507 -1.098 9.595 1.00 0.00 N ATOM 1222 CA TYR A 74 82.777 -0.541 8.422 1.00 0.00 C ATOM 1223 C TYR A 74 82.524 -1.676 7.437 1.00 0.00 C ATOM 1224 O TYR A 74 83.427 -2.161 6.790 1.00 0.00 O ATOM 1225 CB TYR A 74 83.628 0.534 7.748 1.00 0.00 C ATOM 1226 CG TYR A 74 82.822 1.222 6.669 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.880 2.197 7.013 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.021 0.886 5.323 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.137 2.837 6.013 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.278 1.525 4.324 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.337 2.501 4.669 1.00 0.00 C ATOM 1232 OH TYR A 74 80.605 3.132 3.684 1.00 0.00 O ATOM 0 H TYR A 74 84.307 -1.684 9.358 1.00 0.00 H new ATOM 0 HA TYR A 74 81.835 -0.097 8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.962 1.263 8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.523 0.085 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.726 2.456 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.748 0.133 5.057 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.410 3.590 6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.431 1.265 3.287 1.00 0.00 H new ATOM 0 HH TYR A 74 79.911 2.525 3.352 1.00 0.00 H new ATOM 1242 N SER A 75 81.302 -2.110 7.332 1.00 0.00 N ATOM 1243 CA SER A 75 80.963 -3.229 6.402 1.00 0.00 C ATOM 1244 C SER A 75 79.768 -2.843 5.540 1.00 0.00 C ATOM 1245 O SER A 75 78.988 -1.976 5.881 1.00 0.00 O ATOM 1246 CB SER A 75 80.624 -4.475 7.219 1.00 0.00 C ATOM 1247 OG SER A 75 80.401 -5.570 6.341 1.00 0.00 O ATOM 0 H SER A 75 80.511 -1.735 7.856 1.00 0.00 H new ATOM 0 HA SER A 75 81.816 -3.434 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.438 -4.706 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.737 -4.295 7.826 1.00 0.00 H new ATOM 0 HG SER A 75 80.913 -5.437 5.516 1.00 0.00 H new ATOM 1253 N VAL A 76 79.630 -3.486 4.416 1.00 0.00 N ATOM 1254 CA VAL A 76 78.499 -3.177 3.498 1.00 0.00 C ATOM 1255 C VAL A 76 78.140 -4.441 2.721 1.00 0.00 C ATOM 1256 O VAL A 76 78.841 -5.430 2.778 1.00 0.00 O ATOM 1257 CB VAL A 76 78.936 -2.086 2.520 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.219 -0.792 3.287 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.212 -2.535 1.804 1.00 0.00 C ATOM 0 H VAL A 76 80.259 -4.220 4.090 1.00 0.00 H new ATOM 0 HA VAL A 76 77.634 -2.833 4.066 1.00 0.00 H new ATOM 0 HB VAL A 76 78.144 -1.911 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.530 -0.016 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.316 -0.472 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.013 -0.966 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.529 -1.761 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.000 -2.706 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 76 80.017 -3.459 1.259 1.00 0.00 H new ATOM 1269 N GLN A 77 77.061 -4.426 1.993 1.00 0.00 N ATOM 1270 CA GLN A 77 76.677 -5.636 1.224 1.00 0.00 C ATOM 1271 C GLN A 77 77.532 -5.725 -0.040 1.00 0.00 C ATOM 1272 O GLN A 77 77.748 -4.748 -0.728 1.00 0.00 O ATOM 1273 CB GLN A 77 75.195 -5.540 0.843 1.00 0.00 C ATOM 1274 CG GLN A 77 74.327 -5.936 2.041 1.00 0.00 C ATOM 1275 CD GLN A 77 72.858 -5.975 1.617 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.453 -5.263 0.721 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.037 -6.785 2.229 1.00 0.00 N ATOM 0 H GLN A 77 76.431 -3.630 1.898 1.00 0.00 H new ATOM 0 HA GLN A 77 76.839 -6.527 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.956 -4.524 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.984 -6.194 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.633 -6.911 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.463 -5.222 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.377 -7.383 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.055 -6.820 1.954 1.00 0.00 H new ATOM 1286 N THR A 78 78.018 -6.899 -0.346 1.00 0.00 N ATOM 1287 CA THR A 78 78.864 -7.076 -1.558 1.00 0.00 C ATOM 1288 C THR A 78 78.674 -8.485 -2.104 1.00 0.00 C ATOM 1289 O THR A 78 79.044 -9.462 -1.482 1.00 0.00 O ATOM 1290 CB THR A 78 80.337 -6.892 -1.198 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.759 -7.979 -0.387 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.532 -5.582 -0.436 1.00 0.00 C ATOM 0 H THR A 78 77.863 -7.748 0.197 1.00 0.00 H new ATOM 0 HA THR A 78 78.571 -6.337 -2.303 1.00 0.00 H new ATOM 0 HB THR A 78 80.929 -6.861 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.128 -8.723 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.586 -5.461 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.209 -4.747 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.940 -5.602 0.479 1.00 0.00 H new ATOM 1300 N THR A 79 78.113 -8.596 -3.265 1.00 0.00 N ATOM 1301 CA THR A 79 77.909 -9.939 -3.867 1.00 0.00 C ATOM 1302 C THR A 79 79.274 -10.542 -4.193 1.00 0.00 C ATOM 1303 O THR A 79 79.410 -11.734 -4.389 1.00 0.00 O ATOM 1304 CB THR A 79 77.102 -9.792 -5.154 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.889 -9.106 -4.877 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.792 -11.173 -5.729 1.00 0.00 C ATOM 0 H THR A 79 77.784 -7.813 -3.829 1.00 0.00 H new ATOM 0 HA THR A 79 77.373 -10.585 -3.172 1.00 0.00 H new ATOM 0 HB THR A 79 77.682 -9.224 -5.881 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.371 -9.010 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.216 -11.064 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.724 -11.695 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.214 -11.747 -5.005 1.00 0.00 H new ATOM 1314 N GLU A 80 80.286 -9.714 -4.256 1.00 0.00 N ATOM 1315 CA GLU A 80 81.660 -10.205 -4.574 1.00 0.00 C ATOM 1316 C GLU A 80 82.668 -9.544 -3.633 1.00 0.00 C ATOM 1317 O GLU A 80 83.729 -9.115 -4.041 1.00 0.00 O ATOM 1318 CB GLU A 80 82.002 -9.849 -6.024 1.00 0.00 C ATOM 1319 CG GLU A 80 81.569 -8.407 -6.317 1.00 0.00 C ATOM 1320 CD GLU A 80 80.054 -8.351 -6.527 1.00 0.00 C ATOM 1321 OE1 GLU A 80 79.571 -9.051 -7.401 1.00 0.00 O ATOM 1322 OE2 GLU A 80 79.404 -7.608 -5.810 1.00 0.00 O ATOM 0 H GLU A 80 80.217 -8.709 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 80 81.701 -11.287 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.073 -9.959 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 80 81.500 -10.536 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.855 -7.757 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.082 -8.037 -7.205 1.00 0.00 H new ATOM 1329 N GLY A 81 82.344 -9.467 -2.373 1.00 0.00 N ATOM 1330 CA GLY A 81 83.282 -8.843 -1.395 1.00 0.00 C ATOM 1331 C GLY A 81 84.644 -9.529 -1.496 1.00 0.00 C ATOM 1332 O GLY A 81 85.616 -9.096 -0.910 1.00 0.00 O ATOM 0 H GLY A 81 81.469 -9.809 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.383 -7.777 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.888 -8.938 -0.383 1.00 0.00 H new ATOM 1336 N GLU A 82 84.718 -10.600 -2.237 1.00 0.00 N ATOM 1337 CA GLU A 82 86.010 -11.323 -2.384 1.00 0.00 C ATOM 1338 C GLU A 82 86.957 -10.482 -3.242 1.00 0.00 C ATOM 1339 O GLU A 82 88.038 -10.118 -2.824 1.00 0.00 O ATOM 1340 CB GLU A 82 85.740 -12.676 -3.060 1.00 0.00 C ATOM 1341 CG GLU A 82 87.034 -13.252 -3.632 1.00 0.00 C ATOM 1342 CD GLU A 82 86.861 -14.747 -3.910 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.282 -15.077 -4.933 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.310 -15.537 -3.096 1.00 0.00 O ATOM 0 H GLU A 82 83.935 -11.006 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 82 86.469 -11.490 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.312 -13.372 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.006 -12.552 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.299 -12.731 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.853 -13.096 -2.930 1.00 0.00 H new ATOM 1351 N GLN A 83 86.550 -10.171 -4.435 1.00 0.00 N ATOM 1352 CA GLN A 83 87.411 -9.350 -5.328 1.00 0.00 C ATOM 1353 C GLN A 83 87.807 -8.089 -4.583 1.00 0.00 C ATOM 1354 O GLN A 83 88.959 -7.704 -4.542 1.00 0.00 O ATOM 1355 CB GLN A 83 86.638 -8.966 -6.589 1.00 0.00 C ATOM 1356 CG GLN A 83 86.043 -10.211 -7.239 1.00 0.00 C ATOM 1357 CD GLN A 83 85.015 -9.799 -8.283 1.00 0.00 C ATOM 1358 OE1 GLN A 83 84.189 -8.843 -7.995 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 84.964 -10.350 -9.365 1.00 0.00 N flip ATOM 0 H GLN A 83 85.654 -10.450 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 83 88.295 -9.920 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.844 -8.263 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.301 -8.461 -7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.831 -10.803 -7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.575 -10.841 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 83 85.617 -11.102 -9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.268 -10.061 -10.052 1.00 0.00 H new ATOM 1368 N ILE A 84 86.853 -7.457 -3.972 1.00 0.00 N ATOM 1369 CA ILE A 84 87.158 -6.227 -3.198 1.00 0.00 C ATOM 1370 C ILE A 84 88.257 -6.568 -2.197 1.00 0.00 C ATOM 1371 O ILE A 84 89.064 -5.738 -1.829 1.00 0.00 O ATOM 1372 CB ILE A 84 85.900 -5.772 -2.457 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.749 -5.633 -3.462 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.159 -4.424 -1.778 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.533 -5.007 -2.777 1.00 0.00 C ATOM 0 H ILE A 84 85.873 -7.738 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 84 87.485 -5.424 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 84 85.636 -6.507 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.062 -5.015 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.487 -6.611 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.260 -4.103 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.979 -4.526 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.422 -3.682 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.720 -4.911 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.214 -5.642 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.798 -4.021 -2.395 1.00 0.00 H new ATOM 1387 N ALA A 85 88.295 -7.800 -1.769 1.00 0.00 N ATOM 1388 CA ALA A 85 89.340 -8.235 -0.805 1.00 0.00 C ATOM 1389 C ALA A 85 90.606 -8.595 -1.581 1.00 0.00 C ATOM 1390 O ALA A 85 91.711 -8.448 -1.097 1.00 0.00 O ATOM 1391 CB ALA A 85 88.836 -9.458 -0.039 1.00 0.00 C ATOM 0 H ALA A 85 87.640 -8.529 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 85 89.560 -7.434 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.598 -9.783 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.925 -9.199 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.626 -10.265 -0.740 1.00 0.00 H new ATOM 1397 N GLN A 86 90.448 -9.060 -2.790 1.00 0.00 N ATOM 1398 CA GLN A 86 91.632 -9.424 -3.607 1.00 0.00 C ATOM 1399 C GLN A 86 92.239 -8.149 -4.175 1.00 0.00 C ATOM 1400 O GLN A 86 93.442 -7.990 -4.241 1.00 0.00 O ATOM 1401 CB GLN A 86 91.194 -10.342 -4.746 1.00 0.00 C ATOM 1402 CG GLN A 86 92.412 -11.032 -5.348 1.00 0.00 C ATOM 1403 CD GLN A 86 92.035 -11.671 -6.681 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.965 -11.430 -7.205 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.876 -12.482 -7.257 1.00 0.00 N ATOM 0 H GLN A 86 89.546 -9.203 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 86 92.370 -9.943 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.489 -11.086 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.676 -9.765 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.216 -10.310 -5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.787 -11.792 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.774 -12.683 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.637 -12.916 -8.149 1.00 0.00 H new ATOM 1414 N LEU A 87 91.407 -7.231 -4.567 1.00 0.00 N ATOM 1415 CA LEU A 87 91.918 -5.951 -5.110 1.00 0.00 C ATOM 1416 C LEU A 87 92.586 -5.203 -3.966 1.00 0.00 C ATOM 1417 O LEU A 87 93.618 -4.580 -4.118 1.00 0.00 O ATOM 1418 CB LEU A 87 90.748 -5.128 -5.660 1.00 0.00 C ATOM 1419 CG LEU A 87 91.246 -3.763 -6.149 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.336 -3.950 -7.220 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.065 -2.992 -6.743 1.00 0.00 C ATOM 0 H LEU A 87 90.391 -7.314 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 87 92.629 -6.126 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.270 -5.664 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.993 -4.992 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 87 91.671 -3.208 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.683 -2.974 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.173 -4.504 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.925 -4.504 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.406 -2.018 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.647 -3.554 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.300 -2.854 -5.979 1.00 0.00 H new ATOM 1433 N ILE A 88 91.995 -5.286 -2.812 1.00 0.00 N ATOM 1434 CA ILE A 88 92.561 -4.615 -1.616 1.00 0.00 C ATOM 1435 C ILE A 88 93.792 -5.402 -1.160 1.00 0.00 C ATOM 1436 O ILE A 88 94.868 -4.863 -0.995 1.00 0.00 O ATOM 1437 CB ILE A 88 91.493 -4.618 -0.507 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.445 -3.513 -0.778 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.142 -4.409 0.873 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.908 -2.166 -0.208 1.00 0.00 C ATOM 0 H ILE A 88 91.129 -5.799 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 88 92.848 -3.588 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 88 90.995 -5.588 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.278 -3.420 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.491 -3.793 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.370 -4.414 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.853 -5.212 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.663 -3.452 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 88 90.154 -1.406 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 88 91.050 -2.256 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.849 -1.877 -0.676 1.00 0.00 H new ATOM 1452 N ALA A 89 93.629 -6.679 -0.960 1.00 0.00 N ATOM 1453 CA ALA A 89 94.774 -7.520 -0.520 1.00 0.00 C ATOM 1454 C ALA A 89 95.875 -7.447 -1.575 1.00 0.00 C ATOM 1455 O ALA A 89 97.016 -7.782 -1.325 1.00 0.00 O ATOM 1456 CB ALA A 89 94.310 -8.968 -0.360 1.00 0.00 C ATOM 0 H ALA A 89 92.748 -7.178 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 89 95.155 -7.159 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.149 -9.585 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.517 -9.016 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.934 -9.337 -1.314 1.00 0.00 H new ATOM 1462 N GLY A 90 95.535 -7.014 -2.760 1.00 0.00 N ATOM 1463 CA GLY A 90 96.550 -6.920 -3.848 1.00 0.00 C ATOM 1464 C GLY A 90 97.249 -5.560 -3.799 1.00 0.00 C ATOM 1465 O GLY A 90 98.364 -5.416 -4.254 1.00 0.00 O ATOM 0 H GLY A 90 94.594 -6.720 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.284 -7.719 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.070 -7.056 -4.817 1.00 0.00 H new ATOM 1469 N TYR A 91 96.611 -4.556 -3.257 1.00 0.00 N ATOM 1470 CA TYR A 91 97.261 -3.212 -3.194 1.00 0.00 C ATOM 1471 C TYR A 91 98.162 -3.147 -1.958 1.00 0.00 C ATOM 1472 O TYR A 91 99.119 -2.400 -1.912 1.00 0.00 O ATOM 1473 CB TYR A 91 96.179 -2.118 -3.087 1.00 0.00 C ATOM 1474 CG TYR A 91 95.698 -1.687 -4.463 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.604 -1.168 -5.405 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.338 -1.785 -4.788 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.147 -0.759 -6.663 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.886 -1.373 -6.045 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.789 -0.862 -6.983 1.00 0.00 C ATOM 1480 OH TYR A 91 94.340 -0.455 -8.223 1.00 0.00 O ATOM 0 H TYR A 91 95.674 -4.607 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 91 97.853 -3.052 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.337 -2.491 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.580 -1.257 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.652 -1.085 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.638 -2.179 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.843 -0.363 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.837 -1.449 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 91 93.372 -0.595 -8.283 1.00 0.00 H new ATOM 1490 N ILE A 92 97.849 -3.909 -0.952 1.00 0.00 N ATOM 1491 CA ILE A 92 98.665 -3.879 0.290 1.00 0.00 C ATOM 1492 C ILE A 92 99.997 -4.601 0.070 1.00 0.00 C ATOM 1493 O ILE A 92 100.965 -4.364 0.766 1.00 0.00 O ATOM 1494 CB ILE A 92 97.885 -4.563 1.410 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.564 -3.815 1.616 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.705 -4.532 2.702 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.658 -4.610 2.558 1.00 0.00 C ATOM 0 H ILE A 92 97.059 -4.555 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 92 98.874 -2.844 0.561 1.00 0.00 H new ATOM 0 HB ILE A 92 97.685 -5.601 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.757 -2.826 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.066 -3.667 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.146 -5.021 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.648 -5.055 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.906 -3.498 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.720 -4.073 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.453 -5.589 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.154 -4.735 3.520 1.00 0.00 H new ATOM 1509 N ASP A 93 100.054 -5.481 -0.889 1.00 0.00 N ATOM 1510 CA ASP A 93 101.319 -6.223 -1.157 1.00 0.00 C ATOM 1511 C ASP A 93 102.226 -5.395 -2.069 1.00 0.00 C ATOM 1512 O ASP A 93 103.417 -5.616 -2.143 1.00 0.00 O ATOM 1513 CB ASP A 93 100.984 -7.550 -1.841 1.00 0.00 C ATOM 1514 CG ASP A 93 100.410 -8.528 -0.814 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.191 -9.219 -0.181 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.198 -8.571 -0.679 1.00 0.00 O ATOM 0 H ASP A 93 99.275 -5.720 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 93 101.836 -6.410 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.264 -7.386 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 93 101.880 -7.971 -2.298 1.00 0.00 H new ATOM 1521 N ILE A 94 101.667 -4.454 -2.779 1.00 0.00 N ATOM 1522 CA ILE A 94 102.488 -3.621 -3.707 1.00 0.00 C ATOM 1523 C ILE A 94 103.096 -2.437 -2.959 1.00 0.00 C ATOM 1524 O ILE A 94 104.113 -1.901 -3.351 1.00 0.00 O ATOM 1525 CB ILE A 94 101.596 -3.111 -4.834 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.999 -4.309 -5.575 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.430 -2.273 -5.803 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.905 -3.835 -6.532 1.00 0.00 C ATOM 0 H ILE A 94 100.673 -4.224 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 94 103.297 -4.227 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 94 100.795 -2.495 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.779 -4.830 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.586 -5.021 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.794 -1.908 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.864 -1.426 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.228 -2.887 -6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.484 -4.693 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.119 -3.334 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.331 -3.140 -7.256 1.00 0.00 H new ATOM 1540 N ILE A 95 102.490 -2.027 -1.882 1.00 0.00 N ATOM 1541 CA ILE A 95 103.048 -0.880 -1.111 1.00 0.00 C ATOM 1542 C ILE A 95 104.148 -1.399 -0.197 1.00 0.00 C ATOM 1543 O ILE A 95 105.137 -0.740 0.056 1.00 0.00 O ATOM 1544 CB ILE A 95 101.947 -0.244 -0.265 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.288 -1.313 0.611 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.900 0.388 -1.182 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.090 -0.702 1.342 1.00 0.00 C ATOM 0 H ILE A 95 101.635 -2.434 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 95 103.448 -0.133 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 95 102.380 0.526 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.964 -2.153 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.007 -1.703 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.114 0.842 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.371 1.153 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.467 -0.380 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.619 -1.461 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.428 0.124 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.368 -0.333 0.613 1.00 0.00 H new ATOM 1559 N LEU A 96 103.972 -2.586 0.297 1.00 0.00 N ATOM 1560 CA LEU A 96 104.985 -3.190 1.202 1.00 0.00 C ATOM 1561 C LEU A 96 106.144 -3.738 0.362 1.00 0.00 C ATOM 1562 O LEU A 96 107.251 -3.897 0.837 1.00 0.00 O ATOM 1563 CB LEU A 96 104.311 -4.332 1.984 1.00 0.00 C ATOM 1564 CG LEU A 96 103.706 -3.798 3.301 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.556 -4.709 3.750 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.784 -3.768 4.395 1.00 0.00 C ATOM 0 H LEU A 96 103.159 -3.173 0.111 1.00 0.00 H new ATOM 0 HA LEU A 96 105.374 -2.447 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.529 -4.787 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.040 -5.112 2.201 1.00 0.00 H new ATOM 0 HG LEU A 96 103.329 -2.789 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.132 -4.329 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.785 -4.727 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.933 -5.719 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.352 -3.390 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.166 -4.776 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.600 -3.116 4.084 1.00 0.00 H new ATOM 1681 N TRP B 2 88.688 -15.141 10.057 1.00 0.00 N ATOM 1682 CA TRP B 2 89.011 -13.759 9.604 1.00 0.00 C ATOM 1683 C TRP B 2 90.253 -13.794 8.704 1.00 0.00 C ATOM 1684 O TRP B 2 90.760 -14.843 8.359 1.00 0.00 O ATOM 1685 CB TRP B 2 89.290 -12.866 10.831 1.00 0.00 C ATOM 1686 CG TRP B 2 88.010 -12.316 11.377 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.193 -12.957 12.240 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.395 -11.022 11.114 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.112 -12.140 12.525 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.193 -10.935 11.853 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.763 -9.927 10.313 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.383 -9.800 11.797 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.951 -8.784 10.254 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.765 -8.720 10.994 1.00 0.00 C ATOM 0 HA TRP B 2 88.168 -13.354 9.045 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.803 -13.444 11.600 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.954 -12.049 10.550 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.356 -13.946 12.642 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.350 -12.396 13.153 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.677 -9.966 9.739 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.468 -9.756 12.369 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.243 -7.949 9.634 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.145 -7.837 10.945 1.00 0.00 H new ATOM 1705 N VAL B 3 90.742 -12.643 8.336 1.00 0.00 N ATOM 1706 CA VAL B 3 91.950 -12.559 7.473 1.00 0.00 C ATOM 1707 C VAL B 3 92.684 -11.265 7.825 1.00 0.00 C ATOM 1708 O VAL B 3 92.071 -10.236 8.028 1.00 0.00 O ATOM 1709 CB VAL B 3 91.532 -12.559 5.998 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.374 -11.590 5.807 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.716 -12.131 5.118 1.00 0.00 C ATOM 0 H VAL B 3 90.347 -11.741 8.603 1.00 0.00 H new ATOM 0 HA VAL B 3 92.605 -13.415 7.637 1.00 0.00 H new ATOM 0 HB VAL B 3 91.222 -13.563 5.709 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.072 -11.586 4.760 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.533 -11.902 6.426 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.687 -10.587 6.099 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.411 -12.134 4.072 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.035 -11.128 5.401 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.543 -12.828 5.257 1.00 0.00 H new ATOM 1745 N SER B 5 96.253 -8.523 7.207 1.00 0.00 N ATOM 1746 CA SER B 5 97.212 -8.070 6.154 1.00 0.00 C ATOM 1747 C SER B 5 98.645 -8.122 6.721 1.00 0.00 C ATOM 1748 O SER B 5 98.818 -8.036 7.921 1.00 0.00 O ATOM 1749 CB SER B 5 96.861 -6.625 5.779 1.00 0.00 C ATOM 1750 OG SER B 5 96.381 -5.948 6.933 1.00 0.00 O ATOM 0 HA SER B 5 97.150 -8.712 5.276 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.739 -6.116 5.382 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.104 -6.613 4.994 1.00 0.00 H new ATOM 0 HG SER B 5 96.022 -6.601 7.570 1.00 0.00 H new ATOM 1756 N PRO B 6 99.641 -8.241 5.861 1.00 0.00 N ATOM 1757 CA PRO B 6 101.042 -8.277 6.321 1.00 0.00 C ATOM 1758 C PRO B 6 101.371 -6.972 7.063 1.00 0.00 C ATOM 1759 O PRO B 6 102.314 -6.901 7.826 1.00 0.00 O ATOM 1760 CB PRO B 6 101.884 -8.418 5.029 1.00 0.00 C ATOM 1761 CG PRO B 6 100.904 -8.320 3.824 1.00 0.00 C ATOM 1762 CD PRO B 6 99.469 -8.354 4.393 1.00 0.00 C ATOM 0 HA PRO B 6 101.243 -9.094 7.014 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.639 -7.634 4.975 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.413 -9.371 5.017 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.074 -7.400 3.265 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.062 -9.147 3.132 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.868 -7.533 4.001 1.00 0.00 H new ATOM 0 HD3 PRO B 6 98.959 -9.279 4.125 1.00 0.00 H new ATOM 1770 N LEU B 7 100.597 -5.940 6.842 1.00 0.00 N ATOM 1771 CA LEU B 7 100.860 -4.644 7.529 1.00 0.00 C ATOM 1772 C LEU B 7 101.113 -4.895 9.019 1.00 0.00 C ATOM 1773 O LEU B 7 100.930 -5.989 9.514 1.00 0.00 O ATOM 1774 CB LEU B 7 99.643 -3.723 7.368 1.00 0.00 C ATOM 1775 CG LEU B 7 99.404 -3.403 5.878 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.939 -3.009 5.662 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.298 -2.236 5.438 1.00 0.00 C ATOM 0 H LEU B 7 99.793 -5.941 6.214 1.00 0.00 H new ATOM 0 HA LEU B 7 101.737 -4.172 7.086 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.759 -4.201 7.790 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.802 -2.799 7.924 1.00 0.00 H new ATOM 0 HG LEU B 7 99.643 -4.289 5.290 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.774 -2.784 4.608 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.292 -3.834 5.962 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.707 -2.129 6.262 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.121 -2.019 4.385 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.065 -1.354 6.034 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.344 -2.505 5.582 1.00 0.00 H new