USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 575 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.57! C(o=-4.1!,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 51:sc= 0.258 USER MOD Single : A 23 GLN : amide:sc= -0.104 K(o=-0.1,f=-3.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.745 F(o=-2.4!,f=-0.75) USER MOD Single : A 37 MET CE :methyl -148:sc= -0.653 (180deg=-2.81!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.19 F(o=-2.4!,f=-1.2) USER MOD Single : A 56 SER OG : rot -109:sc= 0.89 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.885 K(o=-0.88,f=-2.3!) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.511 USER MOD Single : A 79 SER OG : rot 160:sc= -0.0918 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.446 -8.344 0.238 1.00 0.00 N ATOM 2 CA GLU A 7 8.446 -8.747 1.640 1.00 0.00 C ATOM 3 C GLU A 7 9.104 -10.112 1.814 1.00 0.00 C ATOM 4 O GLU A 7 10.062 -10.260 2.574 1.00 0.00 O ATOM 5 CB GLU A 7 7.015 -8.786 2.182 1.00 0.00 C ATOM 6 CG GLU A 7 6.423 -7.409 2.435 1.00 0.00 C ATOM 7 CD GLU A 7 5.471 -7.392 3.615 1.00 0.00 C ATOM 8 OE1 GLU A 7 5.955 -7.353 4.766 1.00 0.00 O ATOM 9 OE2 GLU A 7 4.243 -7.417 3.389 1.00 0.00 O ATOM 0 HA GLU A 7 9.021 -8.012 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.382 -9.320 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.003 -9.354 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.230 -6.698 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.895 -7.075 1.542 1.00 0.00 H new ATOM 16 N LEU A 8 8.583 -11.108 1.106 1.00 0.00 N ATOM 17 CA LEU A 8 9.119 -12.463 1.182 1.00 0.00 C ATOM 18 C LEU A 8 10.597 -12.486 0.803 1.00 0.00 C ATOM 19 O LEU A 8 11.154 -11.475 0.375 1.00 0.00 O ATOM 20 CB LEU A 8 8.331 -13.397 0.262 1.00 0.00 C ATOM 21 CG LEU A 8 8.184 -12.942 -1.190 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.430 -13.294 -1.988 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.949 -13.568 -1.823 1.00 0.00 C ATOM 0 H LEU A 8 7.790 -11.003 0.473 1.00 0.00 H new ATOM 0 HA LEU A 8 9.021 -12.809 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.815 -14.374 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.334 -13.532 0.682 1.00 0.00 H new ATOM 0 HG LEU A 8 8.064 -11.859 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.307 -12.963 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.296 -12.799 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.581 -14.373 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.860 -13.233 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.039 -14.654 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.062 -13.266 -1.266 1.00 0.00 H new ATOM 35 N SER A 9 11.225 -13.647 0.960 1.00 0.00 N ATOM 36 CA SER A 9 12.638 -13.801 0.636 1.00 0.00 C ATOM 37 C SER A 9 12.822 -14.717 -0.570 1.00 0.00 C ATOM 38 O SER A 9 11.867 -15.325 -1.053 1.00 0.00 O ATOM 39 CB SER A 9 13.401 -14.363 1.838 1.00 0.00 C ATOM 40 OG SER A 9 13.732 -13.336 2.756 1.00 0.00 O ATOM 0 H SER A 9 10.778 -14.494 1.309 1.00 0.00 H new ATOM 0 HA SER A 9 13.038 -12.818 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.795 -15.119 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.311 -14.857 1.497 1.00 0.00 H new ATOM 0 HG SER A 9 14.217 -13.720 3.516 1.00 0.00 H new ATOM 46 N ASN A 10 14.057 -14.811 -1.051 1.00 0.00 N ATOM 47 CA ASN A 10 14.367 -15.653 -2.202 1.00 0.00 C ATOM 48 C ASN A 10 14.561 -17.105 -1.777 1.00 0.00 C ATOM 49 O ASN A 10 13.979 -18.019 -2.363 1.00 0.00 O ATOM 50 CB ASN A 10 15.626 -15.144 -2.907 1.00 0.00 C ATOM 51 CG ASN A 10 15.603 -15.417 -4.399 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.386 -16.399 -4.832 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.890 -14.754 -5.152 1.00 0.00 N flip ATOM 0 H ASN A 10 14.859 -14.315 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 10 13.526 -15.605 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.726 -14.072 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.503 -15.619 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.304 -14.009 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.885 -14.950 -6.153 1.00 0.00 H new ATOM 60 N THR A 11 15.382 -17.312 -0.752 1.00 0.00 N ATOM 61 CA THR A 11 15.653 -18.652 -0.248 1.00 0.00 C ATOM 62 C THR A 11 15.564 -18.697 1.273 1.00 0.00 C ATOM 63 O THR A 11 16.550 -18.454 1.969 1.00 0.00 O ATOM 64 CB THR A 11 17.046 -19.145 -0.684 1.00 0.00 C ATOM 65 OG1 THR A 11 18.027 -18.135 -0.422 1.00 0.00 O ATOM 66 CG2 THR A 11 17.057 -19.498 -2.164 1.00 0.00 C ATOM 0 H THR A 11 15.871 -16.568 -0.255 1.00 0.00 H new ATOM 0 HA THR A 11 14.893 -19.308 -0.673 1.00 0.00 H new ATOM 0 HB THR A 11 17.285 -20.041 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.944 -17.831 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.051 -19.843 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.330 -20.287 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.798 -18.616 -2.750 1.00 0.00 H new ATOM 74 N ARG A 12 14.377 -19.008 1.782 1.00 0.00 N ATOM 75 CA ARG A 12 14.159 -19.084 3.222 1.00 0.00 C ATOM 76 C ARG A 12 12.710 -19.447 3.534 1.00 0.00 C ATOM 77 O ARG A 12 11.788 -18.696 3.215 1.00 0.00 O ATOM 78 CB ARG A 12 14.517 -17.752 3.884 1.00 0.00 C ATOM 79 CG ARG A 12 15.289 -17.906 5.184 1.00 0.00 C ATOM 80 CD ARG A 12 16.730 -17.444 5.033 1.00 0.00 C ATOM 81 NE ARG A 12 16.839 -15.988 5.004 1.00 0.00 N ATOM 82 CZ ARG A 12 16.673 -15.218 6.073 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.392 -15.761 7.249 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.787 -13.900 5.967 1.00 0.00 N ATOM 0 H ARG A 12 13.551 -19.212 1.219 1.00 0.00 H new ATOM 0 HA ARG A 12 14.805 -19.866 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.109 -17.158 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.601 -17.195 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.801 -17.329 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.271 -18.950 5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 12 17.324 -17.835 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.149 -17.857 4.115 1.00 0.00 H new ATOM 0 HE ARG A 12 17.054 -15.538 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.303 -16.773 7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.265 -15.166 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.002 -13.478 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.659 -13.309 6.789 1.00 0.00 H new ATOM 98 N LEU A 13 12.517 -20.603 4.160 1.00 0.00 N ATOM 99 CA LEU A 13 11.181 -21.067 4.515 1.00 0.00 C ATOM 100 C LEU A 13 11.061 -21.279 6.021 1.00 0.00 C ATOM 101 O LEU A 13 11.845 -22.015 6.620 1.00 0.00 O ATOM 102 CB LEU A 13 10.858 -22.368 3.779 1.00 0.00 C ATOM 103 CG LEU A 13 11.712 -22.671 2.547 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.369 -24.042 1.984 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.523 -21.595 1.488 1.00 0.00 C ATOM 0 H LEU A 13 13.269 -21.236 4.432 1.00 0.00 H new ATOM 0 HA LEU A 13 10.466 -20.301 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.962 -23.195 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.812 -22.339 3.473 1.00 0.00 H new ATOM 0 HG LEU A 13 12.760 -22.676 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.986 -24.240 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.557 -24.804 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.317 -24.066 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.138 -21.828 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.475 -21.557 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.820 -20.628 1.895 1.00 0.00 H new ATOM 117 N PHE A 14 10.072 -20.630 6.628 1.00 0.00 N ATOM 118 CA PHE A 14 9.848 -20.748 8.064 1.00 0.00 C ATOM 119 C PHE A 14 8.810 -21.825 8.366 1.00 0.00 C ATOM 120 O PHE A 14 7.679 -21.766 7.882 1.00 0.00 O ATOM 121 CB PHE A 14 9.392 -19.407 8.642 1.00 0.00 C ATOM 122 CG PHE A 14 8.488 -19.545 9.834 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.993 -19.941 11.061 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.132 -19.277 9.726 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.163 -20.069 12.159 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.298 -19.403 10.821 1.00 0.00 C ATOM 127 CZ PHE A 14 6.814 -19.799 12.039 1.00 0.00 C ATOM 0 H PHE A 14 9.413 -20.017 6.147 1.00 0.00 H new ATOM 0 HA PHE A 14 10.790 -21.036 8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.269 -18.826 8.926 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.874 -18.843 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.047 -20.152 11.161 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.723 -18.966 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.569 -20.380 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.243 -19.192 10.724 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.164 -19.897 12.896 1.00 0.00 H new ATOM 137 N VAL A 15 9.202 -22.808 9.169 1.00 0.00 N ATOM 138 CA VAL A 15 8.306 -23.899 9.536 1.00 0.00 C ATOM 139 C VAL A 15 7.762 -23.711 10.948 1.00 0.00 C ATOM 140 O VAL A 15 8.262 -22.884 11.712 1.00 0.00 O ATOM 141 CB VAL A 15 9.017 -25.262 9.449 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.006 -26.379 9.240 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.051 -25.253 8.333 1.00 0.00 C ATOM 0 H VAL A 15 10.134 -22.872 9.578 1.00 0.00 H new ATOM 0 HA VAL A 15 7.479 -23.883 8.826 1.00 0.00 H new ATOM 0 HB VAL A 15 9.534 -25.443 10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.527 -27.335 9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.307 -26.398 10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.459 -26.206 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.544 -26.224 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.558 -25.049 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.793 -24.479 8.530 1.00 0.00 H new ATOM 153 N ARG A 16 6.736 -24.484 11.288 1.00 0.00 N ATOM 154 CA ARG A 16 6.124 -24.402 12.609 1.00 0.00 C ATOM 155 C ARG A 16 6.994 -25.091 13.656 1.00 0.00 C ATOM 156 O ARG A 16 7.952 -25.795 13.336 1.00 0.00 O ATOM 157 CB ARG A 16 4.732 -25.039 12.589 1.00 0.00 C ATOM 158 CG ARG A 16 4.676 -26.400 13.261 1.00 0.00 C ATOM 159 CD ARG A 16 3.387 -27.134 12.926 1.00 0.00 C ATOM 160 NE ARG A 16 3.226 -28.348 13.721 1.00 0.00 N ATOM 161 CZ ARG A 16 2.921 -28.345 15.014 1.00 0.00 C ATOM 162 NH1 ARG A 16 2.745 -27.198 15.654 1.00 0.00 N ATOM 163 NH2 ARG A 16 2.791 -29.492 15.669 1.00 0.00 N ATOM 0 H ARG A 16 6.311 -25.174 10.668 1.00 0.00 H new ATOM 0 HA ARG A 16 6.032 -23.349 12.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.028 -24.370 13.084 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.403 -25.140 11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.530 -26.999 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.756 -26.277 14.341 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.538 -26.473 13.098 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.381 -27.391 11.867 1.00 0.00 H new ATOM 0 HE ARG A 16 3.355 -29.248 13.258 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.844 -26.315 15.154 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.511 -27.199 16.647 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.925 -30.377 15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.557 -29.489 16.662 1.00 0.00 H new ATOM 177 N PRO A 17 6.656 -24.882 14.937 1.00 0.00 N ATOM 178 CA PRO A 17 7.394 -25.474 16.057 1.00 0.00 C ATOM 179 C PRO A 17 7.198 -26.983 16.148 1.00 0.00 C ATOM 180 O PRO A 17 6.070 -27.468 16.239 1.00 0.00 O ATOM 181 CB PRO A 17 6.794 -24.781 17.283 1.00 0.00 C ATOM 182 CG PRO A 17 5.425 -24.376 16.856 1.00 0.00 C ATOM 183 CD PRO A 17 5.526 -24.054 15.391 1.00 0.00 C ATOM 0 HA PRO A 17 8.470 -25.334 15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.759 -25.453 18.140 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.388 -23.917 17.580 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.708 -25.179 17.031 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.079 -23.511 17.423 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.607 -24.303 14.861 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.713 -22.993 15.225 1.00 0.00 H new ATOM 191 N PHE A 18 8.302 -27.722 16.123 1.00 0.00 N ATOM 192 CA PHE A 18 8.251 -29.177 16.203 1.00 0.00 C ATOM 193 C PHE A 18 8.385 -29.648 17.648 1.00 0.00 C ATOM 194 O PHE A 18 8.884 -28.932 18.517 1.00 0.00 O ATOM 195 CB PHE A 18 9.359 -29.795 15.348 1.00 0.00 C ATOM 196 CG PHE A 18 9.203 -29.526 13.879 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.648 -28.335 13.328 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.613 -30.465 13.048 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.505 -28.085 11.976 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.468 -30.220 11.695 1.00 0.00 C ATOM 201 CZ PHE A 18 8.915 -29.029 11.159 1.00 0.00 C ATOM 0 H PHE A 18 9.244 -27.337 16.048 1.00 0.00 H new ATOM 0 HA PHE A 18 7.283 -29.503 15.822 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.322 -29.407 15.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.375 -30.872 15.512 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.112 -27.594 13.962 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.262 -31.399 13.462 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.854 -27.152 11.559 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.006 -30.960 11.058 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.803 -28.836 10.102 1.00 0.00 H new ATOM 211 N PRO A 19 7.929 -30.881 17.913 1.00 0.00 N ATOM 212 CA PRO A 19 7.987 -31.476 19.252 1.00 0.00 C ATOM 213 C PRO A 19 9.413 -31.805 19.678 1.00 0.00 C ATOM 214 O PRO A 19 10.377 -31.277 19.122 1.00 0.00 O ATOM 215 CB PRO A 19 7.163 -32.757 19.106 1.00 0.00 C ATOM 216 CG PRO A 19 7.248 -33.101 17.659 1.00 0.00 C ATOM 217 CD PRO A 19 7.322 -31.790 16.926 1.00 0.00 C ATOM 0 HA PRO A 19 7.612 -30.797 20.017 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.564 -33.558 19.727 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.130 -32.600 19.415 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.127 -33.713 17.454 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.378 -33.676 17.343 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.929 -31.868 16.024 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.335 -31.446 16.617 1.00 0.00 H new ATOM 225 N LEU A 20 9.542 -32.682 20.668 1.00 0.00 N ATOM 226 CA LEU A 20 10.852 -33.084 21.169 1.00 0.00 C ATOM 227 C LEU A 20 11.756 -33.536 20.027 1.00 0.00 C ATOM 228 O LEU A 20 12.981 -33.532 20.153 1.00 0.00 O ATOM 229 CB LEU A 20 10.705 -34.208 22.195 1.00 0.00 C ATOM 230 CG LEU A 20 9.888 -35.422 21.749 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.539 -36.709 22.229 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.459 -35.320 22.262 1.00 0.00 C ATOM 0 H LEU A 20 8.755 -33.128 21.140 1.00 0.00 H new ATOM 0 HA LEU A 20 11.310 -32.220 21.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.701 -34.549 22.476 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.245 -33.795 23.093 1.00 0.00 H new ATOM 0 HG LEU A 20 9.861 -35.438 20.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.944 -37.562 21.902 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.543 -36.786 21.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.598 -36.703 23.317 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.892 -36.192 21.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.466 -35.279 23.351 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.994 -34.416 21.867 1.00 0.00 H new ATOM 244 N ASP A 21 11.145 -33.925 18.914 1.00 0.00 N ATOM 245 CA ASP A 21 11.895 -34.377 17.748 1.00 0.00 C ATOM 246 C ASP A 21 12.264 -33.202 16.849 1.00 0.00 C ATOM 247 O ASP A 21 12.490 -33.370 15.650 1.00 0.00 O ATOM 248 CB ASP A 21 11.082 -35.404 16.958 1.00 0.00 C ATOM 249 CG ASP A 21 10.883 -36.697 17.724 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.706 -36.992 18.616 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.904 -37.415 17.431 1.00 0.00 O ATOM 0 H ASP A 21 10.132 -33.937 18.794 1.00 0.00 H new ATOM 0 HA ASP A 21 12.815 -34.845 18.099 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.110 -34.979 16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.588 -35.617 16.016 1.00 0.00 H new ATOM 256 N VAL A 22 12.321 -32.010 17.435 1.00 0.00 N ATOM 257 CA VAL A 22 12.662 -30.806 16.687 1.00 0.00 C ATOM 258 C VAL A 22 14.166 -30.707 16.460 1.00 0.00 C ATOM 259 O VAL A 22 14.892 -30.148 17.281 1.00 0.00 O ATOM 260 CB VAL A 22 12.180 -29.537 17.416 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.682 -29.523 18.852 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.634 -28.291 16.672 1.00 0.00 C ATOM 0 H VAL A 22 12.135 -31.853 18.426 1.00 0.00 H new ATOM 0 HA VAL A 22 12.156 -30.878 15.724 1.00 0.00 H new ATOM 0 HB VAL A 22 11.090 -29.543 17.437 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.332 -28.619 19.351 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.303 -30.399 19.379 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.772 -29.541 18.857 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.285 -27.404 17.201 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.723 -28.276 16.618 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.220 -28.298 15.664 1.00 0.00 H new ATOM 272 N GLN A 23 14.627 -31.254 15.340 1.00 0.00 N ATOM 273 CA GLN A 23 16.046 -31.228 15.004 1.00 0.00 C ATOM 274 C GLN A 23 16.247 -31.154 13.494 1.00 0.00 C ATOM 275 O GLN A 23 15.285 -31.190 12.729 1.00 0.00 O ATOM 276 CB GLN A 23 16.747 -32.467 15.565 1.00 0.00 C ATOM 277 CG GLN A 23 16.112 -33.776 15.125 1.00 0.00 C ATOM 278 CD GLN A 23 16.539 -34.949 15.985 1.00 0.00 C ATOM 279 OE1 GLN A 23 17.071 -35.940 15.483 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.309 -34.843 17.288 1.00 0.00 N ATOM 0 H GLN A 23 14.039 -31.721 14.650 1.00 0.00 H new ATOM 0 HA GLN A 23 16.484 -30.337 15.454 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.791 -32.456 15.253 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.739 -32.417 16.654 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.027 -33.679 15.161 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.380 -33.975 14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.866 -34.004 17.661 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.576 -35.601 17.916 1.00 0.00 H new ATOM 289 N GLU A 24 17.504 -31.052 13.074 1.00 0.00 N ATOM 290 CA GLU A 24 17.830 -30.972 11.655 1.00 0.00 C ATOM 291 C GLU A 24 17.552 -32.301 10.957 1.00 0.00 C ATOM 292 O GLU A 24 17.364 -32.348 9.742 1.00 0.00 O ATOM 293 CB GLU A 24 19.298 -30.583 11.468 1.00 0.00 C ATOM 294 CG GLU A 24 20.271 -31.704 11.794 1.00 0.00 C ATOM 295 CD GLU A 24 21.700 -31.363 11.419 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.286 -30.468 12.064 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.234 -31.992 10.481 1.00 0.00 O ATOM 0 H GLU A 24 18.312 -31.023 13.695 1.00 0.00 H new ATOM 0 HA GLU A 24 17.198 -30.206 11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.453 -30.267 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.521 -29.724 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.222 -31.924 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.967 -32.609 11.267 1.00 0.00 H new ATOM 304 N SER A 25 17.527 -33.378 11.736 1.00 0.00 N ATOM 305 CA SER A 25 17.276 -34.708 11.193 1.00 0.00 C ATOM 306 C SER A 25 15.944 -34.749 10.451 1.00 0.00 C ATOM 307 O SER A 25 15.859 -35.263 9.336 1.00 0.00 O ATOM 308 CB SER A 25 17.280 -35.748 12.315 1.00 0.00 C ATOM 309 OG SER A 25 17.305 -37.064 11.790 1.00 0.00 O ATOM 0 H SER A 25 17.677 -33.356 12.745 1.00 0.00 H new ATOM 0 HA SER A 25 18.073 -34.942 10.487 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.147 -35.592 12.956 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.395 -35.618 12.938 1.00 0.00 H new ATOM 0 HG SER A 25 17.309 -37.710 12.527 1.00 0.00 H new ATOM 315 N GLU A 26 14.907 -34.203 11.078 1.00 0.00 N ATOM 316 CA GLU A 26 13.578 -34.178 10.477 1.00 0.00 C ATOM 317 C GLU A 26 13.502 -33.132 9.368 1.00 0.00 C ATOM 318 O GLU A 26 12.899 -33.365 8.320 1.00 0.00 O ATOM 319 CB GLU A 26 12.518 -33.886 11.541 1.00 0.00 C ATOM 320 CG GLU A 26 12.894 -32.752 12.481 1.00 0.00 C ATOM 321 CD GLU A 26 11.704 -32.212 13.249 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.834 -33.019 13.637 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.643 -30.984 13.463 1.00 0.00 O ATOM 0 H GLU A 26 14.961 -33.772 12.001 1.00 0.00 H new ATOM 0 HA GLU A 26 13.386 -35.159 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.578 -33.641 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.344 -34.789 12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.647 -33.104 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.348 -31.944 11.907 1.00 0.00 H new ATOM 330 N LEU A 27 14.118 -31.980 9.607 1.00 0.00 N ATOM 331 CA LEU A 27 14.121 -30.897 8.629 1.00 0.00 C ATOM 332 C LEU A 27 14.832 -31.322 7.348 1.00 0.00 C ATOM 333 O LEU A 27 14.460 -30.903 6.253 1.00 0.00 O ATOM 334 CB LEU A 27 14.798 -29.656 9.214 1.00 0.00 C ATOM 335 CG LEU A 27 14.139 -29.055 10.456 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.271 -27.540 10.451 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.675 -29.464 10.534 1.00 0.00 C ATOM 0 H LEU A 27 14.622 -31.771 10.469 1.00 0.00 H new ATOM 0 HA LEU A 27 13.086 -30.658 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.828 -29.911 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.837 -28.889 8.440 1.00 0.00 H new ATOM 0 HG LEU A 27 14.651 -29.441 11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.796 -27.130 11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.326 -27.267 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.785 -27.135 9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.222 -29.027 11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.150 -29.108 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.603 -30.550 10.586 1.00 0.00 H new ATOM 349 N ASN A 28 15.855 -32.157 7.495 1.00 0.00 N ATOM 350 CA ASN A 28 16.618 -32.640 6.349 1.00 0.00 C ATOM 351 C ASN A 28 15.902 -33.806 5.672 1.00 0.00 C ATOM 352 O ASN A 28 15.834 -33.876 4.446 1.00 0.00 O ATOM 353 CB ASN A 28 18.018 -33.072 6.788 1.00 0.00 C ATOM 354 CG ASN A 28 18.978 -31.902 6.891 1.00 0.00 C ATOM 355 OD1 ASN A 28 18.673 -30.963 7.779 1.00 0.00 O flip ATOM 356 ND2 ASN A 28 19.982 -31.845 6.181 1.00 0.00 N flip ATOM 0 H ASN A 28 16.175 -32.513 8.396 1.00 0.00 H new ATOM 0 HA ASN A 28 16.705 -31.824 5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.955 -33.573 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.411 -33.799 6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.176 -32.590 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.619 -31.053 6.262 1.00 0.00 H new ATOM 363 N GLU A 29 15.371 -34.717 6.481 1.00 0.00 N ATOM 364 CA GLU A 29 14.661 -35.879 5.960 1.00 0.00 C ATOM 365 C GLU A 29 13.324 -35.471 5.348 1.00 0.00 C ATOM 366 O GLU A 29 12.735 -36.217 4.565 1.00 0.00 O ATOM 367 CB GLU A 29 14.434 -36.906 7.071 1.00 0.00 C ATOM 368 CG GLU A 29 13.206 -36.622 7.920 1.00 0.00 C ATOM 369 CD GLU A 29 12.021 -37.489 7.540 1.00 0.00 C ATOM 370 OE1 GLU A 29 12.035 -38.061 6.430 1.00 0.00 O ATOM 371 OE2 GLU A 29 11.080 -37.596 8.354 1.00 0.00 O ATOM 0 H GLU A 29 15.419 -34.673 7.499 1.00 0.00 H new ATOM 0 HA GLU A 29 15.276 -36.328 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.336 -37.896 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.313 -36.932 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.449 -36.785 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.932 -35.572 7.816 1.00 0.00 H new ATOM 378 N ILE A 30 12.853 -34.283 5.710 1.00 0.00 N ATOM 379 CA ILE A 30 11.586 -33.775 5.197 1.00 0.00 C ATOM 380 C ILE A 30 11.805 -32.881 3.982 1.00 0.00 C ATOM 381 O ILE A 30 11.251 -33.125 2.910 1.00 0.00 O ATOM 382 CB ILE A 30 10.820 -32.983 6.273 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.280 -33.929 7.347 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.687 -32.190 5.639 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.895 -33.229 8.631 1.00 0.00 C ATOM 0 H ILE A 30 13.329 -33.654 6.356 1.00 0.00 H new ATOM 0 HA ILE A 30 10.993 -34.642 4.905 1.00 0.00 H new ATOM 0 HB ILE A 30 11.508 -32.282 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.409 -34.453 6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.034 -34.684 7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.154 -31.635 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.096 -31.493 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.998 -32.873 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.521 -33.961 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.768 -32.728 9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.118 -32.493 8.425 1.00 0.00 H new ATOM 397 N PHE A 31 12.617 -31.844 4.156 1.00 0.00 N ATOM 398 CA PHE A 31 12.911 -30.912 3.073 1.00 0.00 C ATOM 399 C PHE A 31 14.011 -31.459 2.168 1.00 0.00 C ATOM 400 O PHE A 31 14.413 -30.813 1.201 1.00 0.00 O ATOM 401 CB PHE A 31 13.329 -29.554 3.639 1.00 0.00 C ATOM 402 CG PHE A 31 12.211 -28.819 4.321 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.696 -29.276 5.524 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.675 -27.670 3.761 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.666 -28.602 6.153 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.645 -26.992 4.385 1.00 0.00 C ATOM 407 CZ PHE A 31 10.141 -27.458 5.584 1.00 0.00 C ATOM 0 H PHE A 31 13.084 -31.627 5.037 1.00 0.00 H new ATOM 0 HA PHE A 31 12.005 -30.787 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.143 -29.700 4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.719 -28.936 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.104 -30.169 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.067 -27.300 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.272 -28.970 7.089 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.235 -26.099 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.338 -26.929 6.076 1.00 0.00 H new ATOM 417 N GLY A 32 14.495 -32.655 2.491 1.00 0.00 N ATOM 418 CA GLY A 32 15.544 -33.269 1.698 1.00 0.00 C ATOM 419 C GLY A 32 15.157 -33.421 0.241 1.00 0.00 C ATOM 420 O GLY A 32 15.795 -32.866 -0.654 1.00 0.00 O ATOM 0 H GLY A 32 14.179 -33.209 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.449 -32.666 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.781 -34.249 2.112 1.00 0.00 H new ATOM 424 N PRO A 33 14.088 -34.190 -0.014 1.00 0.00 N ATOM 425 CA PRO A 33 13.594 -34.433 -1.373 1.00 0.00 C ATOM 426 C PRO A 33 12.968 -33.188 -1.993 1.00 0.00 C ATOM 427 O PRO A 33 11.787 -33.182 -2.341 1.00 0.00 O ATOM 428 CB PRO A 33 12.536 -35.522 -1.176 1.00 0.00 C ATOM 429 CG PRO A 33 12.080 -35.356 0.233 1.00 0.00 C ATOM 430 CD PRO A 33 13.280 -34.882 1.004 1.00 0.00 C ATOM 0 HA PRO A 33 14.396 -34.717 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.709 -35.402 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.954 -36.515 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.265 -34.635 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.705 -36.297 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.997 -34.212 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.824 -35.714 1.452 1.00 0.00 H new ATOM 438 N PHE A 34 13.767 -32.135 -2.128 1.00 0.00 N ATOM 439 CA PHE A 34 13.291 -30.884 -2.706 1.00 0.00 C ATOM 440 C PHE A 34 14.415 -30.164 -3.446 1.00 0.00 C ATOM 441 O PHE A 34 14.211 -29.625 -4.533 1.00 0.00 O ATOM 442 CB PHE A 34 12.721 -29.977 -1.613 1.00 0.00 C ATOM 443 CG PHE A 34 11.311 -30.318 -1.225 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.377 -30.660 -2.189 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.920 -30.297 0.104 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.078 -30.975 -1.836 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.623 -30.612 0.464 1.00 0.00 C ATOM 448 CZ PHE A 34 8.701 -30.950 -0.507 1.00 0.00 C ATOM 0 H PHE A 34 14.747 -32.123 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 34 12.502 -31.120 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.358 -30.041 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.755 -28.943 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.667 -30.681 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.637 -30.032 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.359 -31.240 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.331 -30.594 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.687 -31.194 -0.228 1.00 0.00 H new ATOM 458 N GLY A 35 15.602 -30.160 -2.847 1.00 0.00 N ATOM 459 CA GLY A 35 16.740 -29.503 -3.462 1.00 0.00 C ATOM 460 C GLY A 35 17.923 -29.390 -2.520 1.00 0.00 C ATOM 461 O GLY A 35 17.856 -29.783 -1.355 1.00 0.00 O ATOM 0 H GLY A 35 15.796 -30.600 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.039 -30.058 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.446 -28.507 -3.792 1.00 0.00 H new ATOM 465 N PRO A 36 19.038 -28.843 -3.026 1.00 0.00 N ATOM 466 CA PRO A 36 20.262 -28.668 -2.239 1.00 0.00 C ATOM 467 C PRO A 36 20.110 -27.600 -1.161 1.00 0.00 C ATOM 468 O PRO A 36 20.423 -26.431 -1.384 1.00 0.00 O ATOM 469 CB PRO A 36 21.295 -28.232 -3.282 1.00 0.00 C ATOM 470 CG PRO A 36 20.493 -27.605 -4.370 1.00 0.00 C ATOM 471 CD PRO A 36 19.189 -28.352 -4.407 1.00 0.00 C ATOM 0 HA PRO A 36 20.535 -29.577 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.010 -27.526 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.867 -29.083 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.330 -26.545 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.011 -27.676 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.362 -27.703 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.216 -29.172 -5.124 1.00 0.00 H new ATOM 479 N MET A 37 19.629 -28.011 0.008 1.00 0.00 N ATOM 480 CA MET A 37 19.437 -27.088 1.121 1.00 0.00 C ATOM 481 C MET A 37 20.764 -26.468 1.547 1.00 0.00 C ATOM 482 O MET A 37 21.638 -27.151 2.081 1.00 0.00 O ATOM 483 CB MET A 37 18.796 -27.812 2.306 1.00 0.00 C ATOM 484 CG MET A 37 19.413 -29.171 2.595 1.00 0.00 C ATOM 485 SD MET A 37 19.885 -29.365 4.324 1.00 0.00 S ATOM 486 CE MET A 37 21.654 -29.097 4.224 1.00 0.00 C ATOM 0 H MET A 37 19.365 -28.976 0.209 1.00 0.00 H new ATOM 0 HA MET A 37 18.773 -26.290 0.789 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.884 -27.186 3.194 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.731 -27.940 2.110 1.00 0.00 H new ATOM 0 HG2 MET A 37 18.703 -29.953 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.292 -29.308 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 37 22.156 -29.696 4.983 1.00 0.00 H new ATOM 0 HE2 MET A 37 22.011 -29.389 3.236 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.872 -28.042 4.391 1.00 0.00 H new ATOM 496 N LYS A 38 20.909 -25.169 1.308 1.00 0.00 N ATOM 497 CA LYS A 38 22.128 -24.455 1.667 1.00 0.00 C ATOM 498 C LYS A 38 22.345 -24.474 3.177 1.00 0.00 C ATOM 499 O LYS A 38 23.445 -24.755 3.651 1.00 0.00 O ATOM 500 CB LYS A 38 22.064 -23.010 1.168 1.00 0.00 C ATOM 501 CG LYS A 38 23.138 -22.114 1.760 1.00 0.00 C ATOM 502 CD LYS A 38 24.531 -22.594 1.391 1.00 0.00 C ATOM 503 CE LYS A 38 25.072 -21.854 0.178 1.00 0.00 C ATOM 504 NZ LYS A 38 26.489 -21.437 0.369 1.00 0.00 N ATOM 0 H LYS A 38 20.196 -24.589 0.866 1.00 0.00 H new ATOM 0 HA LYS A 38 22.968 -24.960 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 38 22.157 -23.005 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.085 -22.595 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.998 -21.093 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.036 -22.090 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.203 -22.449 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.505 -23.664 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.997 -22.494 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.457 -20.975 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.821 -20.936 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.557 -20.806 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.080 -22.278 0.528 1.00 0.00 H new ATOM 518 N GLU A 39 21.288 -24.174 3.926 1.00 0.00 N ATOM 519 CA GLU A 39 21.364 -24.157 5.382 1.00 0.00 C ATOM 520 C GLU A 39 20.023 -24.539 6.001 1.00 0.00 C ATOM 521 O GLU A 39 18.994 -24.546 5.326 1.00 0.00 O ATOM 522 CB GLU A 39 21.791 -22.774 5.877 1.00 0.00 C ATOM 523 CG GLU A 39 22.660 -22.814 7.122 1.00 0.00 C ATOM 524 CD GLU A 39 23.916 -23.643 6.931 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.936 -23.078 6.483 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.878 -24.855 7.228 1.00 0.00 O ATOM 0 H GLU A 39 20.370 -23.940 3.549 1.00 0.00 H new ATOM 0 HA GLU A 39 22.109 -24.891 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.334 -22.265 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.900 -22.181 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.939 -21.797 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.082 -23.223 7.951 1.00 0.00 H new ATOM 533 N VAL A 40 20.043 -24.858 7.291 1.00 0.00 N ATOM 534 CA VAL A 40 18.829 -25.241 8.003 1.00 0.00 C ATOM 535 C VAL A 40 18.922 -24.880 9.481 1.00 0.00 C ATOM 536 O VAL A 40 19.892 -25.225 10.157 1.00 0.00 O ATOM 537 CB VAL A 40 18.554 -26.751 7.871 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.933 -27.064 6.518 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.835 -27.545 8.076 1.00 0.00 C ATOM 0 H VAL A 40 20.886 -24.859 7.865 1.00 0.00 H new ATOM 0 HA VAL A 40 18.007 -24.688 7.548 1.00 0.00 H new ATOM 0 HB VAL A 40 17.845 -27.043 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.746 -28.135 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.992 -26.523 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.615 -26.758 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.623 -28.610 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.569 -27.252 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.233 -27.343 9.071 1.00 0.00 H new ATOM 549 N LYS A 41 17.906 -24.183 9.980 1.00 0.00 N ATOM 550 CA LYS A 41 17.870 -23.776 11.379 1.00 0.00 C ATOM 551 C LYS A 41 16.687 -24.412 12.101 1.00 0.00 C ATOM 552 O LYS A 41 15.562 -24.400 11.599 1.00 0.00 O ATOM 553 CB LYS A 41 17.787 -22.252 11.486 1.00 0.00 C ATOM 554 CG LYS A 41 18.528 -21.523 10.378 1.00 0.00 C ATOM 555 CD LYS A 41 20.013 -21.842 10.397 1.00 0.00 C ATOM 556 CE LYS A 41 20.698 -21.234 11.612 1.00 0.00 C ATOM 557 NZ LYS A 41 21.693 -22.166 12.212 1.00 0.00 N ATOM 0 H LYS A 41 17.096 -23.888 9.435 1.00 0.00 H new ATOM 0 HA LYS A 41 18.789 -24.118 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.739 -21.952 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.193 -21.941 12.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.107 -21.803 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.384 -20.448 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.154 -22.923 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.479 -21.463 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.196 -20.308 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.948 -20.973 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.138 -21.715 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.214 -23.039 12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.423 -22.395 11.507 1.00 0.00 H new ATOM 571 N ILE A 42 16.947 -24.966 13.280 1.00 0.00 N ATOM 572 CA ILE A 42 15.902 -25.604 14.072 1.00 0.00 C ATOM 573 C ILE A 42 15.970 -25.162 15.530 1.00 0.00 C ATOM 574 O ILE A 42 16.893 -25.528 16.259 1.00 0.00 O ATOM 575 CB ILE A 42 16.006 -27.139 14.007 1.00 0.00 C ATOM 576 CG1 ILE A 42 16.540 -27.579 12.642 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.650 -27.773 14.280 1.00 0.00 C ATOM 578 CD1 ILE A 42 18.041 -27.765 12.613 1.00 0.00 C ATOM 0 H ILE A 42 17.872 -24.986 13.708 1.00 0.00 H new ATOM 0 HA ILE A 42 14.948 -25.294 13.645 1.00 0.00 H new ATOM 0 HB ILE A 42 16.704 -27.474 14.774 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.060 -28.515 12.358 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.259 -26.837 11.894 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.739 -28.858 14.231 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.305 -27.482 15.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.933 -27.434 13.533 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.350 -28.077 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.529 -26.824 12.866 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.327 -28.528 13.337 1.00 0.00 H new ATOM 590 N LEU A 43 14.985 -24.376 15.950 1.00 0.00 N ATOM 591 CA LEU A 43 14.930 -23.885 17.322 1.00 0.00 C ATOM 592 C LEU A 43 13.607 -24.260 17.982 1.00 0.00 C ATOM 593 O LEU A 43 12.574 -24.345 17.320 1.00 0.00 O ATOM 594 CB LEU A 43 15.115 -22.367 17.350 1.00 0.00 C ATOM 595 CG LEU A 43 16.251 -21.813 16.488 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.904 -20.424 15.977 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.553 -21.784 17.276 1.00 0.00 C ATOM 0 H LEU A 43 14.213 -24.065 15.360 1.00 0.00 H new ATOM 0 HA LEU A 43 15.740 -24.353 17.882 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.183 -21.902 17.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.286 -22.061 18.382 1.00 0.00 H new ATOM 0 HG LEU A 43 16.384 -22.471 15.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.724 -20.046 15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.996 -20.474 15.376 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.743 -19.755 16.822 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.350 -21.387 16.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.433 -21.149 18.154 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.810 -22.795 17.592 1.00 0.00 H new ATOM 609 N ASN A 44 13.647 -24.480 19.292 1.00 0.00 N ATOM 610 CA ASN A 44 12.450 -24.844 20.043 1.00 0.00 C ATOM 611 C ASN A 44 11.417 -23.723 19.995 1.00 0.00 C ATOM 612 O ASN A 44 11.449 -22.800 20.808 1.00 0.00 O ATOM 613 CB ASN A 44 12.811 -25.160 21.496 1.00 0.00 C ATOM 614 CG ASN A 44 13.444 -26.529 21.650 1.00 0.00 C ATOM 615 OD1 ASN A 44 12.721 -27.565 21.241 1.00 0.00 O flip ATOM 616 ND2 ASN A 44 14.571 -26.653 22.131 1.00 0.00 N flip ATOM 0 H ASN A 44 14.494 -24.413 19.856 1.00 0.00 H new ATOM 0 HA ASN A 44 12.017 -25.732 19.582 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.498 -24.401 21.870 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.912 -25.107 22.111 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.091 -25.828 22.432 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.985 -27.580 22.228 1.00 0.00 H new ATOM 623 N GLY A 45 10.499 -23.811 19.037 1.00 0.00 N ATOM 624 CA GLY A 45 9.469 -22.798 18.902 1.00 0.00 C ATOM 625 C GLY A 45 9.259 -22.373 17.462 1.00 0.00 C ATOM 626 O GLY A 45 8.208 -21.836 17.112 1.00 0.00 O ATOM 0 H GLY A 45 10.450 -24.566 18.352 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.532 -23.181 19.305 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.740 -21.927 19.499 1.00 0.00 H new ATOM 630 N PHE A 46 10.263 -22.611 16.624 1.00 0.00 N ATOM 631 CA PHE A 46 10.186 -22.246 15.215 1.00 0.00 C ATOM 632 C PHE A 46 11.308 -22.906 14.419 1.00 0.00 C ATOM 633 O PHE A 46 12.394 -23.152 14.944 1.00 0.00 O ATOM 634 CB PHE A 46 10.257 -20.726 15.054 1.00 0.00 C ATOM 635 CG PHE A 46 10.936 -20.034 16.202 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.265 -20.292 16.496 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.245 -19.125 16.986 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.893 -19.657 17.550 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.867 -18.486 18.042 1.00 0.00 C ATOM 640 CZ PHE A 46 12.192 -18.753 18.325 1.00 0.00 C ATOM 0 H PHE A 46 11.140 -23.055 16.897 1.00 0.00 H new ATOM 0 HA PHE A 46 9.232 -22.601 14.826 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.789 -20.490 14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.246 -20.332 14.949 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.817 -20.998 15.894 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.208 -18.913 16.770 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.930 -19.867 17.768 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.317 -17.779 18.645 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.680 -18.256 19.151 1.00 0.00 H new ATOM 650 N ALA A 47 11.038 -23.191 13.150 1.00 0.00 N ATOM 651 CA ALA A 47 12.024 -23.821 12.281 1.00 0.00 C ATOM 652 C ALA A 47 12.273 -22.981 11.033 1.00 0.00 C ATOM 653 O ALA A 47 11.418 -22.197 10.620 1.00 0.00 O ATOM 654 CB ALA A 47 11.570 -25.221 11.895 1.00 0.00 C ATOM 0 H ALA A 47 10.144 -22.995 12.700 1.00 0.00 H new ATOM 0 HA ALA A 47 12.962 -23.894 12.831 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.316 -25.679 11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.451 -25.826 12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.618 -25.162 11.368 1.00 0.00 H new ATOM 660 N PHE A 48 13.448 -23.150 10.437 1.00 0.00 N ATOM 661 CA PHE A 48 13.810 -22.405 9.236 1.00 0.00 C ATOM 662 C PHE A 48 14.654 -23.263 8.298 1.00 0.00 C ATOM 663 O PHE A 48 15.489 -24.052 8.742 1.00 0.00 O ATOM 664 CB PHE A 48 14.575 -21.134 9.610 1.00 0.00 C ATOM 665 CG PHE A 48 13.903 -20.322 10.680 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.825 -19.507 10.374 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.349 -20.374 11.991 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.203 -18.759 11.356 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.731 -19.628 12.977 1.00 0.00 C ATOM 670 CZ PHE A 48 12.658 -18.819 12.659 1.00 0.00 C ATOM 0 H PHE A 48 14.166 -23.796 10.765 1.00 0.00 H new ATOM 0 HA PHE A 48 12.891 -22.129 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.575 -21.407 9.947 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.696 -20.517 8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.467 -19.456 9.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.188 -21.004 12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.363 -18.129 11.105 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.087 -19.678 13.995 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.175 -18.234 13.428 1.00 0.00 H new ATOM 680 N VAL A 49 14.430 -23.104 6.998 1.00 0.00 N ATOM 681 CA VAL A 49 15.169 -23.862 5.996 1.00 0.00 C ATOM 682 C VAL A 49 15.534 -22.987 4.802 1.00 0.00 C ATOM 683 O VAL A 49 14.659 -22.481 4.101 1.00 0.00 O ATOM 684 CB VAL A 49 14.360 -25.075 5.500 1.00 0.00 C ATOM 685 CG1 VAL A 49 12.993 -24.636 4.998 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.124 -25.817 4.413 1.00 0.00 C ATOM 0 H VAL A 49 13.742 -22.456 6.614 1.00 0.00 H new ATOM 0 HA VAL A 49 16.081 -24.215 6.477 1.00 0.00 H new ATOM 0 HB VAL A 49 14.211 -25.757 6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.436 -25.506 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.446 -24.154 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.116 -23.933 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.537 -26.671 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.306 -25.146 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.077 -26.166 4.811 1.00 0.00 H new ATOM 696 N GLU A 50 16.833 -22.813 4.578 1.00 0.00 N ATOM 697 CA GLU A 50 17.313 -21.997 3.468 1.00 0.00 C ATOM 698 C GLU A 50 17.859 -22.874 2.345 1.00 0.00 C ATOM 699 O GLU A 50 18.904 -23.509 2.489 1.00 0.00 O ATOM 700 CB GLU A 50 18.398 -21.031 3.949 1.00 0.00 C ATOM 701 CG GLU A 50 19.029 -20.219 2.830 1.00 0.00 C ATOM 702 CD GLU A 50 19.712 -18.963 3.335 1.00 0.00 C ATOM 703 OE1 GLU A 50 20.083 -18.929 4.527 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.876 -18.015 2.539 1.00 0.00 O ATOM 0 H GLU A 50 17.571 -23.225 5.149 1.00 0.00 H new ATOM 0 HA GLU A 50 16.471 -21.423 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.967 -20.350 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.177 -21.598 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.756 -20.837 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.261 -19.945 2.107 1.00 0.00 H new ATOM 711 N PHE A 51 17.143 -22.904 1.225 1.00 0.00 N ATOM 712 CA PHE A 51 17.554 -23.704 0.077 1.00 0.00 C ATOM 713 C PHE A 51 18.561 -22.946 -0.782 1.00 0.00 C ATOM 714 O PHE A 51 18.538 -21.717 -0.844 1.00 0.00 O ATOM 715 CB PHE A 51 16.335 -24.088 -0.765 1.00 0.00 C ATOM 716 CG PHE A 51 15.660 -25.347 -0.302 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.283 -26.576 -0.444 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.400 -25.301 0.274 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.664 -27.737 -0.019 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.776 -26.458 0.701 1.00 0.00 C ATOM 721 CZ PHE A 51 14.409 -27.678 0.554 1.00 0.00 C ATOM 0 H PHE A 51 16.276 -22.384 1.088 1.00 0.00 H new ATOM 0 HA PHE A 51 18.031 -24.611 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.615 -23.270 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.644 -24.212 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.264 -26.628 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.900 -24.351 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.161 -28.689 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.795 -26.409 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.923 -28.583 0.887 1.00 0.00 H new ATOM 731 N GLU A 52 19.445 -23.688 -1.442 1.00 0.00 N ATOM 732 CA GLU A 52 20.461 -23.085 -2.296 1.00 0.00 C ATOM 733 C GLU A 52 19.859 -22.634 -3.624 1.00 0.00 C ATOM 734 O GLU A 52 20.556 -22.091 -4.480 1.00 0.00 O ATOM 735 CB GLU A 52 21.599 -24.077 -2.550 1.00 0.00 C ATOM 736 CG GLU A 52 22.742 -23.495 -3.365 1.00 0.00 C ATOM 737 CD GLU A 52 22.980 -22.027 -3.071 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.067 -21.668 -1.878 1.00 0.00 O ATOM 739 OE2 GLU A 52 23.080 -21.237 -4.033 1.00 0.00 O ATOM 0 H GLU A 52 19.478 -24.707 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 52 20.858 -22.210 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.987 -24.425 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.201 -24.949 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.653 -24.056 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.526 -23.619 -4.426 1.00 0.00 H new ATOM 746 N GLU A 53 18.560 -22.865 -3.786 1.00 0.00 N ATOM 747 CA GLU A 53 17.864 -22.484 -5.010 1.00 0.00 C ATOM 748 C GLU A 53 16.462 -21.968 -4.701 1.00 0.00 C ATOM 749 O GLU A 53 15.663 -22.655 -4.065 1.00 0.00 O ATOM 750 CB GLU A 53 17.782 -23.674 -5.968 1.00 0.00 C ATOM 751 CG GLU A 53 19.014 -23.837 -6.843 1.00 0.00 C ATOM 752 CD GLU A 53 19.226 -22.662 -7.777 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.411 -22.487 -8.707 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.207 -21.916 -7.577 1.00 0.00 O ATOM 0 H GLU A 53 17.969 -23.313 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 53 18.430 -21.683 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.634 -24.586 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.906 -23.556 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.892 -23.955 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.920 -24.751 -7.430 1.00 0.00 H new ATOM 761 N ALA A 54 16.171 -20.753 -5.155 1.00 0.00 N ATOM 762 CA ALA A 54 14.865 -20.146 -4.928 1.00 0.00 C ATOM 763 C ALA A 54 13.741 -21.090 -5.340 1.00 0.00 C ATOM 764 O ALA A 54 12.696 -21.144 -4.694 1.00 0.00 O ATOM 765 CB ALA A 54 14.757 -18.831 -5.686 1.00 0.00 C ATOM 0 H ALA A 54 16.822 -20.170 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 54 14.764 -19.948 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.777 -18.388 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.533 -18.147 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.884 -19.015 -6.753 1.00 0.00 H new ATOM 771 N GLU A 55 13.964 -21.832 -6.420 1.00 0.00 N ATOM 772 CA GLU A 55 12.968 -22.773 -6.919 1.00 0.00 C ATOM 773 C GLU A 55 12.651 -23.836 -5.870 1.00 0.00 C ATOM 774 O GLU A 55 11.490 -24.057 -5.526 1.00 0.00 O ATOM 775 CB GLU A 55 13.462 -23.441 -8.204 1.00 0.00 C ATOM 776 CG GLU A 55 12.566 -24.569 -8.688 1.00 0.00 C ATOM 777 CD GLU A 55 13.064 -25.199 -9.973 1.00 0.00 C ATOM 778 OE1 GLU A 55 14.134 -25.843 -9.942 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.386 -25.048 -11.011 1.00 0.00 O ATOM 0 H GLU A 55 14.825 -21.800 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 55 12.056 -22.216 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.539 -22.688 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.466 -23.832 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.501 -25.334 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.557 -24.186 -8.843 1.00 0.00 H new ATOM 786 N SER A 56 13.692 -24.492 -5.368 1.00 0.00 N ATOM 787 CA SER A 56 13.525 -25.535 -4.362 1.00 0.00 C ATOM 788 C SER A 56 12.760 -25.006 -3.153 1.00 0.00 C ATOM 789 O SER A 56 11.932 -25.708 -2.573 1.00 0.00 O ATOM 790 CB SER A 56 14.889 -26.071 -3.922 1.00 0.00 C ATOM 791 OG SER A 56 14.744 -27.168 -3.036 1.00 0.00 O ATOM 0 H SER A 56 14.660 -24.320 -5.641 1.00 0.00 H new ATOM 0 HA SER A 56 12.950 -26.347 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.462 -26.379 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.455 -25.278 -3.434 1.00 0.00 H new ATOM 0 HG SER A 56 15.012 -26.897 -2.133 1.00 0.00 H new ATOM 797 N ALA A 57 13.044 -23.762 -2.778 1.00 0.00 N ATOM 798 CA ALA A 57 12.382 -23.138 -1.640 1.00 0.00 C ATOM 799 C ALA A 57 10.922 -22.831 -1.955 1.00 0.00 C ATOM 800 O ALA A 57 10.022 -23.216 -1.209 1.00 0.00 O ATOM 801 CB ALA A 57 13.115 -21.867 -1.235 1.00 0.00 C ATOM 0 H ALA A 57 13.728 -23.168 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 57 12.407 -23.840 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.610 -21.411 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.141 -22.111 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.120 -21.168 -2.071 1.00 0.00 H new ATOM 807 N ALA A 58 10.694 -22.134 -3.064 1.00 0.00 N ATOM 808 CA ALA A 58 9.343 -21.777 -3.477 1.00 0.00 C ATOM 809 C ALA A 58 8.449 -23.010 -3.557 1.00 0.00 C ATOM 810 O ALA A 58 7.251 -22.941 -3.279 1.00 0.00 O ATOM 811 CB ALA A 58 9.374 -21.058 -4.818 1.00 0.00 C ATOM 0 H ALA A 58 11.428 -21.806 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 58 8.926 -21.106 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.358 -20.797 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.971 -20.150 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.815 -21.711 -5.571 1.00 0.00 H new ATOM 817 N LYS A 59 9.037 -24.138 -3.939 1.00 0.00 N ATOM 818 CA LYS A 59 8.295 -25.388 -4.055 1.00 0.00 C ATOM 819 C LYS A 59 8.029 -25.992 -2.680 1.00 0.00 C ATOM 820 O LYS A 59 6.886 -26.287 -2.332 1.00 0.00 O ATOM 821 CB LYS A 59 9.068 -26.385 -4.921 1.00 0.00 C ATOM 822 CG LYS A 59 9.026 -26.062 -6.404 1.00 0.00 C ATOM 823 CD LYS A 59 7.606 -26.094 -6.943 1.00 0.00 C ATOM 824 CE LYS A 59 7.030 -24.693 -7.080 1.00 0.00 C ATOM 825 NZ LYS A 59 7.421 -24.056 -8.368 1.00 0.00 N ATOM 0 H LYS A 59 10.027 -24.213 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 59 7.337 -25.171 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.107 -26.410 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.660 -27.383 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.458 -25.076 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.640 -26.778 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.595 -26.589 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.976 -26.684 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.943 -24.739 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.375 -24.076 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.009 -23.103 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.457 -23.989 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.070 -24.631 -9.160 1.00 0.00 H new ATOM 839 N ALA A 60 9.091 -26.173 -1.902 1.00 0.00 N ATOM 840 CA ALA A 60 8.971 -26.739 -0.564 1.00 0.00 C ATOM 841 C ALA A 60 7.923 -25.993 0.255 1.00 0.00 C ATOM 842 O ALA A 60 7.244 -26.583 1.096 1.00 0.00 O ATOM 843 CB ALA A 60 10.317 -26.708 0.145 1.00 0.00 C ATOM 0 H ALA A 60 10.045 -25.936 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 60 8.648 -27.775 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.212 -27.134 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.041 -27.291 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.663 -25.677 0.225 1.00 0.00 H new ATOM 849 N ILE A 61 7.798 -24.694 0.005 1.00 0.00 N ATOM 850 CA ILE A 61 6.832 -23.868 0.720 1.00 0.00 C ATOM 851 C ILE A 61 5.404 -24.309 0.420 1.00 0.00 C ATOM 852 O ILE A 61 4.552 -24.334 1.308 1.00 0.00 O ATOM 853 CB ILE A 61 6.985 -22.380 0.356 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.339 -21.851 0.836 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.849 -21.568 0.959 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.860 -20.693 0.015 1.00 0.00 C ATOM 0 H ILE A 61 8.353 -24.191 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 61 7.034 -23.996 1.784 1.00 0.00 H new ATOM 0 HB ILE A 61 6.941 -22.280 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.250 -21.537 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.067 -22.662 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.971 -20.518 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.897 -21.932 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.864 -21.671 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.822 -20.370 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.982 -21.008 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.152 -19.866 0.062 1.00 0.00 H new ATOM 868 N GLU A 62 5.149 -24.658 -0.837 1.00 0.00 N ATOM 869 CA GLU A 62 3.823 -25.100 -1.253 1.00 0.00 C ATOM 870 C GLU A 62 3.683 -26.613 -1.109 1.00 0.00 C ATOM 871 O GLU A 62 2.583 -27.155 -1.199 1.00 0.00 O ATOM 872 CB GLU A 62 3.556 -24.688 -2.702 1.00 0.00 C ATOM 873 CG GLU A 62 3.047 -23.263 -2.846 1.00 0.00 C ATOM 874 CD GLU A 62 1.544 -23.160 -2.674 1.00 0.00 C ATOM 875 OE1 GLU A 62 0.844 -24.152 -2.965 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.069 -22.087 -2.247 1.00 0.00 O ATOM 0 H GLU A 62 5.843 -24.643 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 62 3.089 -24.622 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.476 -24.796 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.826 -25.371 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.538 -22.630 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.324 -22.880 -3.828 1.00 0.00 H new ATOM 883 N GLU A 63 4.807 -27.286 -0.886 1.00 0.00 N ATOM 884 CA GLU A 63 4.810 -28.736 -0.731 1.00 0.00 C ATOM 885 C GLU A 63 4.654 -29.127 0.736 1.00 0.00 C ATOM 886 O GLU A 63 3.692 -29.796 1.113 1.00 0.00 O ATOM 887 CB GLU A 63 6.104 -29.329 -1.293 1.00 0.00 C ATOM 888 CG GLU A 63 6.288 -29.087 -2.781 1.00 0.00 C ATOM 889 CD GLU A 63 5.750 -30.225 -3.628 1.00 0.00 C ATOM 890 OE1 GLU A 63 5.964 -31.396 -3.251 1.00 0.00 O ATOM 891 OE2 GLU A 63 5.116 -29.944 -4.666 1.00 0.00 O ATOM 0 H GLU A 63 5.726 -26.851 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 63 3.963 -29.137 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.952 -28.903 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.114 -30.402 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.784 -28.162 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.348 -28.950 -2.995 1.00 0.00 H new ATOM 898 N VAL A 64 5.608 -28.704 1.560 1.00 0.00 N ATOM 899 CA VAL A 64 5.577 -29.009 2.986 1.00 0.00 C ATOM 900 C VAL A 64 4.320 -28.448 3.640 1.00 0.00 C ATOM 901 O VAL A 64 3.779 -29.037 4.577 1.00 0.00 O ATOM 902 CB VAL A 64 6.815 -28.443 3.707 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.892 -28.974 5.130 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.081 -28.779 2.934 1.00 0.00 C ATOM 0 H VAL A 64 6.411 -28.149 1.265 1.00 0.00 H new ATOM 0 HA VAL A 64 5.577 -30.095 3.079 1.00 0.00 H new ATOM 0 HB VAL A 64 6.723 -27.358 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.773 -28.564 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.997 -28.678 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.961 -30.062 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.946 -28.372 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.182 -29.861 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.024 -28.345 1.936 1.00 0.00 H new ATOM 914 N HIS A 65 3.858 -27.305 3.141 1.00 0.00 N ATOM 915 CA HIS A 65 2.663 -26.664 3.677 1.00 0.00 C ATOM 916 C HIS A 65 1.444 -27.568 3.518 1.00 0.00 C ATOM 917 O HIS A 65 1.091 -27.962 2.407 1.00 0.00 O ATOM 918 CB HIS A 65 2.417 -25.329 2.975 1.00 0.00 C ATOM 919 CG HIS A 65 1.112 -24.690 3.342 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.129 -24.404 2.419 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.632 -24.284 4.540 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.900 -23.848 3.034 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.620 -23.764 4.322 1.00 0.00 N ATOM 0 H HIS A 65 4.294 -26.804 2.366 1.00 0.00 H new ATOM 0 HA HIS A 65 2.823 -26.483 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.229 -24.644 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.445 -25.484 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.139 -24.356 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.814 -23.518 2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.234 -23.376 5.038 1.00 0.00 H new ATOM 931 N GLY A 66 0.805 -27.895 4.637 1.00 0.00 N ATOM 932 CA GLY A 66 -0.367 -28.750 4.600 1.00 0.00 C ATOM 933 C GLY A 66 -0.030 -30.206 4.858 1.00 0.00 C ATOM 934 O GLY A 66 -0.891 -31.079 4.751 1.00 0.00 O ATOM 0 H GLY A 66 1.078 -27.583 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.086 -28.409 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.849 -28.659 3.627 1.00 0.00 H new ATOM 938 N LYS A 67 1.227 -30.469 5.199 1.00 0.00 N ATOM 939 CA LYS A 67 1.677 -31.828 5.473 1.00 0.00 C ATOM 940 C LYS A 67 1.287 -32.257 6.884 1.00 0.00 C ATOM 941 O LYS A 67 0.610 -31.520 7.601 1.00 0.00 O ATOM 942 CB LYS A 67 3.194 -31.930 5.299 1.00 0.00 C ATOM 943 CG LYS A 67 3.648 -31.837 3.852 1.00 0.00 C ATOM 944 CD LYS A 67 3.253 -33.074 3.063 1.00 0.00 C ATOM 945 CE LYS A 67 4.382 -34.094 3.023 1.00 0.00 C ATOM 946 NZ LYS A 67 3.986 -35.331 2.296 1.00 0.00 N ATOM 0 H LYS A 67 1.952 -29.758 5.292 1.00 0.00 H new ATOM 0 HA LYS A 67 1.190 -32.495 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.671 -31.135 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.537 -32.876 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.210 -30.953 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.730 -31.712 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.369 -33.526 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.984 -32.788 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.254 -33.652 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.677 -34.350 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.782 -36.000 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.170 -35.767 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.729 -35.091 1.317 1.00 0.00 H new ATOM 960 N SER A 68 1.720 -33.451 7.276 1.00 0.00 N ATOM 961 CA SER A 68 1.414 -33.977 8.601 1.00 0.00 C ATOM 962 C SER A 68 2.693 -34.313 9.361 1.00 0.00 C ATOM 963 O SER A 68 3.679 -34.758 8.774 1.00 0.00 O ATOM 964 CB SER A 68 0.534 -35.224 8.486 1.00 0.00 C ATOM 965 OG SER A 68 1.212 -36.267 7.809 1.00 0.00 O ATOM 0 H SER A 68 2.283 -34.072 6.695 1.00 0.00 H new ATOM 0 HA SER A 68 0.874 -33.209 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.244 -35.561 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.384 -34.977 7.953 1.00 0.00 H new ATOM 0 HG SER A 68 0.629 -37.052 7.750 1.00 0.00 H new ATOM 971 N PHE A 69 2.669 -34.095 10.672 1.00 0.00 N ATOM 972 CA PHE A 69 3.826 -34.373 11.515 1.00 0.00 C ATOM 973 C PHE A 69 3.470 -34.229 12.992 1.00 0.00 C ATOM 974 O PHE A 69 2.873 -33.235 13.403 1.00 0.00 O ATOM 975 CB PHE A 69 4.978 -33.430 11.162 1.00 0.00 C ATOM 976 CG PHE A 69 6.313 -33.900 11.664 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.687 -33.686 12.981 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.194 -34.556 10.820 1.00 0.00 C ATOM 979 CE1 PHE A 69 7.915 -34.118 13.447 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.423 -34.991 11.280 1.00 0.00 C ATOM 981 CZ PHE A 69 8.784 -34.770 12.595 1.00 0.00 C ATOM 0 H PHE A 69 1.861 -33.727 11.173 1.00 0.00 H new ATOM 0 HA PHE A 69 4.138 -35.401 11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.025 -33.317 10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.770 -32.444 11.577 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.011 -33.176 13.651 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.918 -34.730 9.791 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.194 -33.946 14.476 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.100 -35.503 10.612 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.745 -35.107 12.956 1.00 0.00 H new ATOM 991 N ALA A 70 3.842 -35.230 13.784 1.00 0.00 N ATOM 992 CA ALA A 70 3.564 -35.215 15.214 1.00 0.00 C ATOM 993 C ALA A 70 2.064 -35.169 15.482 1.00 0.00 C ATOM 994 O ALA A 70 1.610 -34.504 16.412 1.00 0.00 O ATOM 995 CB ALA A 70 4.257 -34.032 15.874 1.00 0.00 C ATOM 0 H ALA A 70 4.336 -36.061 13.459 1.00 0.00 H new ATOM 0 HA ALA A 70 3.955 -36.137 15.644 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.041 -34.033 16.942 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.334 -34.110 15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.894 -33.104 15.431 1.00 0.00 H new ATOM 1001 N ASN A 71 1.299 -35.880 14.660 1.00 0.00 N ATOM 1002 CA ASN A 71 -0.152 -35.918 14.807 1.00 0.00 C ATOM 1003 C ASN A 71 -0.751 -34.523 14.661 1.00 0.00 C ATOM 1004 O ASN A 71 -1.820 -34.237 15.200 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.531 -36.509 16.167 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.644 -38.021 16.130 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.676 -38.586 16.489 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.421 -38.682 15.693 1.00 0.00 N ATOM 0 H ASN A 71 1.659 -36.437 13.886 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.556 -36.551 14.017 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.217 -36.221 16.906 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.481 -36.084 16.493 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.405 -39.701 15.645 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.256 -38.171 15.405 1.00 0.00 H new ATOM 1015 N GLN A 72 -0.055 -33.660 13.929 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.518 -32.294 13.712 1.00 0.00 C ATOM 1017 C GLN A 72 -0.134 -31.804 12.320 1.00 0.00 C ATOM 1018 O GLN A 72 0.879 -32.209 11.750 1.00 0.00 O ATOM 1019 CB GLN A 72 0.066 -31.361 14.774 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.349 -31.717 16.192 1.00 0.00 C ATOM 1021 CD GLN A 72 -1.798 -31.377 16.479 1.00 0.00 C ATOM 1022 OE1 GLN A 72 -2.708 -31.877 15.818 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -2.020 -30.522 17.471 1.00 0.00 N ATOM 0 H GLN A 72 0.832 -33.882 13.476 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.605 -32.288 13.792 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.154 -31.383 14.706 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.246 -30.339 14.559 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.191 -32.783 16.356 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.291 -31.187 16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.235 -30.132 17.993 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.975 -30.256 17.711 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.962 -30.910 11.758 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.729 -30.345 10.426 1.00 0.00 C ATOM 1034 C PRO A 73 0.468 -29.400 10.397 1.00 0.00 C ATOM 1035 O PRO A 73 0.534 -28.441 11.167 1.00 0.00 O ATOM 1036 CB PRO A 73 -2.022 -29.578 10.135 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.573 -29.243 11.478 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.187 -30.382 12.380 1.00 0.00 C ATOM 0 HA PRO A 73 -0.499 -31.117 9.691 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.826 -28.678 9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.722 -30.185 9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.165 -28.301 11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.656 -29.127 11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.006 -30.043 13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.970 -31.138 12.430 1.00 0.00 H new ATOM 1046 N LEU A 74 1.413 -29.677 9.505 1.00 0.00 N ATOM 1047 CA LEU A 74 2.608 -28.852 9.376 1.00 0.00 C ATOM 1048 C LEU A 74 2.292 -27.543 8.658 1.00 0.00 C ATOM 1049 O LEU A 74 1.297 -27.444 7.940 1.00 0.00 O ATOM 1050 CB LEU A 74 3.698 -29.612 8.618 1.00 0.00 C ATOM 1051 CG LEU A 74 4.554 -30.566 9.451 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.599 -31.245 8.579 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.217 -29.822 10.601 1.00 0.00 C ATOM 0 H LEU A 74 1.374 -30.467 8.861 1.00 0.00 H new ATOM 0 HA LEU A 74 2.967 -28.618 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.226 -30.183 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.357 -28.885 8.144 1.00 0.00 H new ATOM 0 HG LEU A 74 3.905 -31.335 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.199 -31.920 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.103 -31.812 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.245 -30.490 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.822 -30.517 11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.853 -29.031 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.451 -29.384 11.241 1.00 0.00 H new ATOM 1065 N GLU A 75 3.146 -26.544 8.856 1.00 0.00 N ATOM 1066 CA GLU A 75 2.957 -25.243 8.226 1.00 0.00 C ATOM 1067 C GLU A 75 4.299 -24.624 7.843 1.00 0.00 C ATOM 1068 O GLU A 75 5.211 -24.534 8.664 1.00 0.00 O ATOM 1069 CB GLU A 75 2.199 -24.302 9.165 1.00 0.00 C ATOM 1070 CG GLU A 75 1.112 -24.993 9.971 1.00 0.00 C ATOM 1071 CD GLU A 75 0.038 -24.033 10.445 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.393 -22.934 10.919 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -1.157 -24.380 10.341 1.00 0.00 O ATOM 0 H GLU A 75 3.975 -26.611 9.447 1.00 0.00 H new ATOM 0 HA GLU A 75 2.371 -25.389 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.908 -23.837 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.751 -23.500 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.654 -25.773 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.561 -25.484 10.834 1.00 0.00 H new ATOM 1080 N VAL A 76 4.411 -24.200 6.588 1.00 0.00 N ATOM 1081 CA VAL A 76 5.639 -23.589 6.094 1.00 0.00 C ATOM 1082 C VAL A 76 5.337 -22.400 5.190 1.00 0.00 C ATOM 1083 O VAL A 76 4.440 -22.458 4.349 1.00 0.00 O ATOM 1084 CB VAL A 76 6.499 -24.605 5.319 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.925 -24.097 5.172 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.475 -25.960 6.009 1.00 0.00 C ATOM 0 H VAL A 76 3.666 -24.269 5.895 1.00 0.00 H new ATOM 0 HA VAL A 76 6.194 -23.245 6.967 1.00 0.00 H new ATOM 0 HB VAL A 76 6.077 -24.724 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.517 -24.828 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.920 -23.152 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.361 -23.946 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.088 -26.665 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.870 -25.861 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.450 -26.327 6.055 1.00 0.00 H new ATOM 1096 N VAL A 77 6.093 -21.320 5.368 1.00 0.00 N ATOM 1097 CA VAL A 77 5.907 -20.117 4.567 1.00 0.00 C ATOM 1098 C VAL A 77 7.245 -19.461 4.242 1.00 0.00 C ATOM 1099 O VAL A 77 8.287 -19.861 4.762 1.00 0.00 O ATOM 1100 CB VAL A 77 5.009 -19.094 5.289 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.724 -19.754 5.764 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.755 -18.461 6.454 1.00 0.00 C ATOM 0 H VAL A 77 6.840 -21.255 6.060 1.00 0.00 H new ATOM 0 HA VAL A 77 5.422 -20.426 3.641 1.00 0.00 H new ATOM 0 HB VAL A 77 4.745 -18.306 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.102 -19.017 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.183 -20.156 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.964 -20.563 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.107 -17.741 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.049 -19.236 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.645 -17.952 6.083 1.00 0.00 H new ATOM 1112 N TYR A 78 7.209 -18.452 3.378 1.00 0.00 N ATOM 1113 CA TYR A 78 8.419 -17.742 2.982 1.00 0.00 C ATOM 1114 C TYR A 78 8.958 -16.900 4.134 1.00 0.00 C ATOM 1115 O TYR A 78 8.471 -15.800 4.395 1.00 0.00 O ATOM 1116 CB TYR A 78 8.138 -16.850 1.771 1.00 0.00 C ATOM 1117 CG TYR A 78 8.784 -17.341 0.495 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.158 -17.529 0.416 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.019 -17.617 -0.632 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.752 -17.976 -0.748 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.605 -18.066 -1.800 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.972 -18.244 -1.853 1.00 0.00 C ATOM 1123 OH TYR A 78 10.560 -18.691 -3.014 1.00 0.00 O ATOM 0 H TYR A 78 6.355 -18.108 2.939 1.00 0.00 H new ATOM 0 HA TYR A 78 9.173 -18.482 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.060 -16.784 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.492 -15.841 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.772 -17.322 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.949 -17.478 -0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.822 -18.115 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.996 -18.276 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 78 11.367 -19.203 -2.796 1.00 0.00 H new ATOM 1133 N SER A 79 9.968 -17.425 4.820 1.00 0.00 N ATOM 1134 CA SER A 79 10.573 -16.724 5.946 1.00 0.00 C ATOM 1135 C SER A 79 10.958 -15.300 5.557 1.00 0.00 C ATOM 1136 O SER A 79 11.697 -15.085 4.595 1.00 0.00 O ATOM 1137 CB SER A 79 11.808 -17.481 6.441 1.00 0.00 C ATOM 1138 OG SER A 79 12.718 -16.606 7.086 1.00 0.00 O ATOM 0 H SER A 79 10.384 -18.333 4.616 1.00 0.00 H new ATOM 0 HA SER A 79 9.838 -16.676 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.504 -18.268 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.301 -17.968 5.600 1.00 0.00 H new ATOM 0 HG SER A 79 13.319 -17.125 7.661 1.00 0.00 H new ATOM 1144 N LYS A 80 10.452 -14.330 6.311 1.00 0.00 N ATOM 1145 CA LYS A 80 10.743 -12.926 6.048 1.00 0.00 C ATOM 1146 C LYS A 80 12.189 -12.593 6.401 1.00 0.00 C ATOM 1147 O LYS A 80 12.796 -13.245 7.251 1.00 0.00 O ATOM 1148 CB LYS A 80 9.793 -12.030 6.846 1.00 0.00 C ATOM 1149 CG LYS A 80 8.380 -11.993 6.290 1.00 0.00 C ATOM 1150 CD LYS A 80 7.508 -11.004 7.046 1.00 0.00 C ATOM 1151 CE LYS A 80 6.127 -10.886 6.419 1.00 0.00 C ATOM 1152 NZ LYS A 80 5.151 -10.247 7.345 1.00 0.00 N ATOM 0 H LYS A 80 9.838 -14.491 7.110 1.00 0.00 H new ATOM 0 HA LYS A 80 10.597 -12.744 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.759 -12.379 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.193 -11.016 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.410 -11.720 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.939 -12.988 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.411 -11.322 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.989 -10.026 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.193 -10.302 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.768 -11.877 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.222 -10.185 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.068 -10.818 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.480 -9.292 7.591 1.00 0.00 H new TER 1166 LYS A 80