USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 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 Set 1.1: A 28 ASN : amide:sc= -1.8 K(o=-5.1,f=-8.1) USER MOD Set 1.2: A 37 MET CE :methyl 147:sc= -3.35 (180deg=-0.581) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -1.15 F(o=-1.7!,f=-0.76) USER MOD Set 2.2: A 11 THR OG1 : rot 87:sc= 0.385 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.697 K(o=-0.7,f=-6.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.245) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0155 F(o=-1.4,f=-0.016) USER MOD Single : A 56 SER OG : rot 65:sc= -0.0796 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=-0.0063) USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= -2.08! (180deg=-5.94!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 78 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.308 -8.514 0.252 1.00 0.00 N ATOM 2 CA GLU A 7 8.234 -8.906 1.654 1.00 0.00 C ATOM 3 C GLU A 7 8.867 -10.278 1.870 1.00 0.00 C ATOM 4 O GLU A 7 9.541 -10.512 2.874 1.00 0.00 O ATOM 5 CB GLU A 7 6.778 -8.924 2.125 1.00 0.00 C ATOM 6 CG GLU A 7 5.916 -9.943 1.399 1.00 0.00 C ATOM 7 CD GLU A 7 4.466 -9.901 1.840 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.007 -8.820 2.265 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.791 -10.948 1.761 1.00 0.00 O ATOM 0 HA GLU A 7 8.789 -8.173 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.753 -9.136 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.348 -7.932 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.971 -9.761 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.316 -10.942 1.573 1.00 0.00 H new ATOM 16 N LEU A 8 8.645 -11.181 0.921 1.00 0.00 N ATOM 17 CA LEU A 8 9.193 -12.530 1.006 1.00 0.00 C ATOM 18 C LEU A 8 10.673 -12.542 0.636 1.00 0.00 C ATOM 19 O LEU A 8 11.224 -11.527 0.210 1.00 0.00 O ATOM 20 CB LEU A 8 8.418 -13.475 0.086 1.00 0.00 C ATOM 21 CG LEU A 8 8.354 -13.075 -1.388 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.632 -13.479 -2.106 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.141 -13.702 -2.059 1.00 0.00 C ATOM 0 H LEU A 8 8.090 -11.003 0.084 1.00 0.00 H new ATOM 0 HA LEU A 8 9.093 -12.872 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.868 -14.465 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.399 -13.562 0.463 1.00 0.00 H new ATOM 0 HG LEU A 8 8.256 -11.991 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.569 -13.186 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.483 -12.982 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.762 -14.559 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.112 -13.406 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.208 -14.788 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.233 -13.362 -1.561 1.00 0.00 H new ATOM 35 N SER A 9 11.309 -13.697 0.799 1.00 0.00 N ATOM 36 CA SER A 9 12.726 -13.840 0.483 1.00 0.00 C ATOM 37 C SER A 9 12.923 -14.753 -0.723 1.00 0.00 C ATOM 38 O SER A 9 11.969 -15.333 -1.240 1.00 0.00 O ATOM 39 CB SER A 9 13.485 -14.398 1.689 1.00 0.00 C ATOM 40 OG SER A 9 13.907 -13.356 2.552 1.00 0.00 O ATOM 0 H SER A 9 10.866 -14.547 1.148 1.00 0.00 H new ATOM 0 HA SER A 9 13.121 -12.854 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.846 -15.091 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.351 -14.965 1.347 1.00 0.00 H new ATOM 0 HG SER A 9 14.388 -13.738 3.316 1.00 0.00 H new ATOM 46 N ASN A 10 14.170 -14.876 -1.167 1.00 0.00 N ATOM 47 CA ASN A 10 14.495 -15.717 -2.313 1.00 0.00 C ATOM 48 C ASN A 10 14.758 -17.155 -1.875 1.00 0.00 C ATOM 49 O ASN A 10 14.386 -18.105 -2.566 1.00 0.00 O ATOM 50 CB ASN A 10 15.718 -15.165 -3.047 1.00 0.00 C ATOM 51 CG ASN A 10 17.023 -15.653 -2.448 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.651 -16.620 -3.107 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 17.460 -15.167 -1.405 1.00 0.00 N flip ATOM 0 H ASN A 10 14.972 -14.404 -0.750 1.00 0.00 H new ATOM 0 HA ASN A 10 13.640 -15.712 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.671 -15.458 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.694 -14.076 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.943 -14.425 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.339 -15.506 -1.013 1.00 0.00 H new ATOM 60 N THR A 11 15.400 -17.309 -0.721 1.00 0.00 N ATOM 61 CA THR A 11 15.714 -18.629 -0.190 1.00 0.00 C ATOM 62 C THR A 11 15.594 -18.654 1.329 1.00 0.00 C ATOM 63 O THR A 11 16.560 -18.382 2.042 1.00 0.00 O ATOM 64 CB THR A 11 17.134 -19.073 -0.589 1.00 0.00 C ATOM 65 OG1 THR A 11 18.055 -17.992 -0.405 1.00 0.00 O ATOM 66 CG2 THR A 11 17.170 -19.534 -2.038 1.00 0.00 C ATOM 0 H THR A 11 15.713 -16.534 -0.136 1.00 0.00 H new ATOM 0 HA THR A 11 14.991 -19.322 -0.620 1.00 0.00 H new ATOM 0 HB THR A 11 17.422 -19.909 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.388 -17.999 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.183 -19.843 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.490 -20.375 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.863 -18.715 -2.688 1.00 0.00 H new ATOM 74 N ARG A 12 14.403 -18.982 1.819 1.00 0.00 N ATOM 75 CA ARG A 12 14.157 -19.042 3.255 1.00 0.00 C ATOM 76 C ARG A 12 12.708 -19.423 3.543 1.00 0.00 C ATOM 77 O ARG A 12 11.780 -18.702 3.172 1.00 0.00 O ATOM 78 CB ARG A 12 14.481 -17.696 3.905 1.00 0.00 C ATOM 79 CG ARG A 12 15.263 -17.819 5.203 1.00 0.00 C ATOM 80 CD ARG A 12 15.430 -16.469 5.883 1.00 0.00 C ATOM 81 NE ARG A 12 15.844 -16.606 7.277 1.00 0.00 N ATOM 82 CZ ARG A 12 17.097 -16.838 7.652 1.00 0.00 C ATOM 83 NH1 ARG A 12 18.053 -16.959 6.742 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.395 -16.950 8.940 1.00 0.00 N ATOM 0 H ARG A 12 13.593 -19.210 1.243 1.00 0.00 H new ATOM 0 HA ARG A 12 14.806 -19.808 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.053 -17.091 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.550 -17.163 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.748 -18.505 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.244 -18.249 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.170 -15.879 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.489 -15.921 5.836 1.00 0.00 H new ATOM 0 HE ARG A 12 15.132 -16.519 8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.827 -16.874 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.014 -17.137 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.662 -16.858 9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.357 -17.128 9.227 1.00 0.00 H new ATOM 98 N LEU A 13 12.521 -20.559 4.205 1.00 0.00 N ATOM 99 CA LEU A 13 11.184 -21.036 4.543 1.00 0.00 C ATOM 100 C LEU A 13 11.037 -21.222 6.050 1.00 0.00 C ATOM 101 O LEU A 13 11.810 -21.948 6.675 1.00 0.00 O ATOM 102 CB LEU A 13 10.896 -22.356 3.825 1.00 0.00 C ATOM 103 CG LEU A 13 11.747 -22.647 2.588 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.393 -24.006 2.004 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.566 -21.553 1.547 1.00 0.00 C ATOM 0 H LEU A 13 13.278 -21.167 4.518 1.00 0.00 H new ATOM 0 HA LEU A 13 10.464 -20.286 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.034 -23.171 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.847 -22.364 3.530 1.00 0.00 H new ATOM 0 HG LEU A 13 12.795 -22.665 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.009 -24.196 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.576 -24.781 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.341 -24.017 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.179 -21.777 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.518 -21.502 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.871 -20.595 1.969 1.00 0.00 H new ATOM 117 N PHE A 14 10.039 -20.562 6.627 1.00 0.00 N ATOM 118 CA PHE A 14 9.789 -20.655 8.061 1.00 0.00 C ATOM 119 C PHE A 14 8.770 -21.749 8.366 1.00 0.00 C ATOM 120 O PHE A 14 7.644 -21.720 7.869 1.00 0.00 O ATOM 121 CB PHE A 14 9.290 -19.313 8.601 1.00 0.00 C ATOM 122 CG PHE A 14 8.455 -19.440 9.843 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.054 -19.568 11.086 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.072 -19.430 9.768 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.287 -19.686 12.230 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.300 -19.547 10.909 1.00 0.00 C ATOM 127 CZ PHE A 14 6.909 -19.674 12.142 1.00 0.00 C ATOM 0 H PHE A 14 9.390 -19.957 6.124 1.00 0.00 H new ATOM 0 HA PHE A 14 10.728 -20.910 8.552 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.147 -18.674 8.813 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.704 -18.815 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.131 -19.576 11.162 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.591 -19.330 8.806 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.766 -19.788 13.193 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.222 -19.539 10.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.309 -19.764 13.035 1.00 0.00 H new ATOM 137 N VAL A 15 9.174 -22.714 9.186 1.00 0.00 N ATOM 138 CA VAL A 15 8.297 -23.818 9.558 1.00 0.00 C ATOM 139 C VAL A 15 7.740 -23.627 10.964 1.00 0.00 C ATOM 140 O VAL A 15 8.233 -22.800 11.731 1.00 0.00 O ATOM 141 CB VAL A 15 9.035 -25.168 9.489 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.046 -26.308 9.296 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.069 -25.154 8.373 1.00 0.00 C ATOM 0 H VAL A 15 10.103 -22.754 9.605 1.00 0.00 H new ATOM 0 HA VAL A 15 7.475 -23.825 8.842 1.00 0.00 H new ATOM 0 HB VAL A 15 9.556 -25.326 10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.586 -27.254 9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.348 -26.329 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.495 -26.159 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.581 -26.116 8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.573 -24.973 7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.795 -24.363 8.560 1.00 0.00 H new ATOM 153 N ARG A 16 6.710 -24.398 11.296 1.00 0.00 N ATOM 154 CA ARG A 16 6.085 -24.314 12.611 1.00 0.00 C ATOM 155 C ARG A 16 6.960 -24.973 13.672 1.00 0.00 C ATOM 156 O ARG A 16 7.904 -25.703 13.368 1.00 0.00 O ATOM 157 CB ARG A 16 4.706 -24.977 12.587 1.00 0.00 C ATOM 158 CG ARG A 16 3.600 -24.065 12.081 1.00 0.00 C ATOM 159 CD ARG A 16 3.300 -22.951 13.072 1.00 0.00 C ATOM 160 NE ARG A 16 2.367 -23.380 14.110 1.00 0.00 N ATOM 161 CZ ARG A 16 1.049 -23.414 13.945 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.513 -23.049 12.789 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.265 -23.816 14.937 1.00 0.00 N ATOM 0 H ARG A 16 6.290 -25.088 10.673 1.00 0.00 H new ATOM 0 HA ARG A 16 5.969 -23.260 12.864 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.750 -25.865 11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.456 -25.313 13.593 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.892 -23.633 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.697 -24.649 11.904 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.229 -22.617 13.535 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.883 -22.095 12.541 1.00 0.00 H new ATOM 0 HE ARG A 16 2.748 -23.669 15.011 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.113 -22.741 12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.499 -23.076 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.674 -24.099 15.827 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.747 -23.842 14.809 1.00 0.00 H new ATOM 177 N PRO A 17 6.641 -24.711 14.949 1.00 0.00 N ATOM 178 CA PRO A 17 7.386 -25.269 16.081 1.00 0.00 C ATOM 179 C PRO A 17 7.170 -26.770 16.234 1.00 0.00 C ATOM 180 O PRO A 17 6.038 -27.234 16.370 1.00 0.00 O ATOM 181 CB PRO A 17 6.812 -24.521 17.287 1.00 0.00 C ATOM 182 CG PRO A 17 5.443 -24.113 16.862 1.00 0.00 C ATOM 183 CD PRO A 17 5.529 -23.849 15.384 1.00 0.00 C ATOM 0 HA PRO A 17 8.462 -25.148 15.959 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.779 -25.159 18.170 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.422 -23.655 17.543 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.718 -24.898 17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.117 -23.222 17.399 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.599 -24.104 14.875 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.729 -22.798 15.174 1.00 0.00 H new ATOM 191 N PHE A 18 8.263 -27.526 16.211 1.00 0.00 N ATOM 192 CA PHE A 18 8.193 -28.976 16.346 1.00 0.00 C ATOM 193 C PHE A 18 8.361 -29.396 17.803 1.00 0.00 C ATOM 194 O PHE A 18 8.917 -28.667 18.625 1.00 0.00 O ATOM 195 CB PHE A 18 9.267 -29.643 15.484 1.00 0.00 C ATOM 196 CG PHE A 18 9.129 -29.348 14.018 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.606 -28.159 13.489 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.521 -30.258 13.169 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.480 -27.884 12.141 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.393 -29.989 11.819 1.00 0.00 C ATOM 201 CZ PHE A 18 8.872 -28.800 11.305 1.00 0.00 C ATOM 0 H PHE A 18 9.208 -27.158 16.100 1.00 0.00 H new ATOM 0 HA PHE A 18 7.210 -29.300 16.004 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.249 -29.313 15.822 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.224 -30.722 15.635 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.082 -27.439 14.138 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.143 -31.188 13.566 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.856 -26.954 11.741 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.919 -30.708 11.167 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.771 -28.587 10.251 1.00 0.00 H new ATOM 211 N PRO A 19 7.869 -30.599 18.133 1.00 0.00 N ATOM 212 CA PRO A 19 7.952 -31.143 19.492 1.00 0.00 C ATOM 213 C PRO A 19 9.379 -31.511 19.882 1.00 0.00 C ATOM 214 O PRO A 19 10.341 -31.048 19.268 1.00 0.00 O ATOM 215 CB PRO A 19 7.075 -32.396 19.426 1.00 0.00 C ATOM 216 CG PRO A 19 7.096 -32.799 17.992 1.00 0.00 C ATOM 217 CD PRO A 19 7.193 -31.521 17.205 1.00 0.00 C ATOM 0 HA PRO A 19 7.630 -30.420 20.242 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.467 -33.187 20.065 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.060 -32.187 19.763 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.943 -33.452 17.782 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.194 -33.352 17.729 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.764 -31.657 16.287 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.209 -31.151 16.917 1.00 0.00 H new ATOM 225 N LEU A 20 9.510 -32.347 20.906 1.00 0.00 N ATOM 226 CA LEU A 20 10.821 -32.778 21.379 1.00 0.00 C ATOM 227 C LEU A 20 11.656 -33.340 20.232 1.00 0.00 C ATOM 228 O LEU A 20 12.882 -33.402 20.316 1.00 0.00 O ATOM 229 CB LEU A 20 10.668 -33.832 22.477 1.00 0.00 C ATOM 230 CG LEU A 20 9.811 -35.048 22.126 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.478 -36.328 22.606 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.419 -34.912 22.726 1.00 0.00 C ATOM 0 H LEU A 20 8.725 -32.740 21.425 1.00 0.00 H new ATOM 0 HA LEU A 20 11.336 -31.909 21.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.661 -34.182 22.758 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.239 -33.352 23.356 1.00 0.00 H new ATOM 0 HG LEU A 20 9.713 -35.098 21.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.853 -37.183 22.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.452 -36.432 22.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.607 -36.287 23.688 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.823 -35.787 22.465 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.496 -34.835 23.811 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.939 -34.016 22.332 1.00 0.00 H new ATOM 244 N ASP A 21 10.982 -33.746 19.161 1.00 0.00 N ATOM 245 CA ASP A 21 11.662 -34.300 17.996 1.00 0.00 C ATOM 246 C ASP A 21 12.078 -33.192 17.032 1.00 0.00 C ATOM 247 O ASP A 21 12.273 -33.433 15.841 1.00 0.00 O ATOM 248 CB ASP A 21 10.756 -35.302 17.279 1.00 0.00 C ATOM 249 CG ASP A 21 10.789 -36.675 17.922 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.517 -36.844 18.922 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.089 -37.581 17.423 1.00 0.00 O ATOM 0 H ASP A 21 9.967 -33.702 19.076 1.00 0.00 H new ATOM 0 HA ASP A 21 12.559 -34.814 18.340 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.732 -34.928 17.281 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.064 -35.385 16.237 1.00 0.00 H new ATOM 256 N VAL A 22 12.210 -31.978 17.556 1.00 0.00 N ATOM 257 CA VAL A 22 12.603 -30.833 16.743 1.00 0.00 C ATOM 258 C VAL A 22 14.100 -30.850 16.457 1.00 0.00 C ATOM 259 O VAL A 22 14.900 -30.363 17.256 1.00 0.00 O ATOM 260 CB VAL A 22 12.238 -29.505 17.431 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.781 -29.471 18.851 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.761 -28.326 16.624 1.00 0.00 C ATOM 0 H VAL A 22 12.051 -31.762 18.540 1.00 0.00 H new ATOM 0 HA VAL A 22 12.056 -30.909 15.803 1.00 0.00 H new ATOM 0 HB VAL A 22 11.152 -29.429 17.481 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.513 -28.525 19.321 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.354 -30.294 19.424 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.866 -29.570 18.828 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.494 -27.395 17.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.846 -28.395 16.540 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.319 -28.342 15.628 1.00 0.00 H new ATOM 272 N GLN A 23 14.472 -31.414 15.313 1.00 0.00 N ATOM 273 CA GLN A 23 15.875 -31.495 14.921 1.00 0.00 C ATOM 274 C GLN A 23 16.022 -31.413 13.406 1.00 0.00 C ATOM 275 O GLN A 23 15.038 -31.497 12.672 1.00 0.00 O ATOM 276 CB GLN A 23 16.496 -32.794 15.437 1.00 0.00 C ATOM 277 CG GLN A 23 15.796 -34.045 14.933 1.00 0.00 C ATOM 278 CD GLN A 23 16.216 -35.292 15.686 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.618 -36.289 15.085 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.124 -35.244 17.010 1.00 0.00 N ATOM 0 H GLN A 23 13.822 -31.822 14.641 1.00 0.00 H new ATOM 0 HA GLN A 23 16.400 -30.649 15.364 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.544 -32.829 15.139 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.474 -32.790 16.527 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.718 -33.915 15.025 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.012 -34.175 13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.786 -34.397 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.392 -36.054 17.570 1.00 0.00 H new ATOM 289 N GLU A 24 17.258 -31.249 12.944 1.00 0.00 N ATOM 290 CA GLU A 24 17.534 -31.155 11.516 1.00 0.00 C ATOM 291 C GLU A 24 17.276 -32.490 10.823 1.00 0.00 C ATOM 292 O GLU A 24 17.046 -32.540 9.614 1.00 0.00 O ATOM 293 CB GLU A 24 18.981 -30.717 11.280 1.00 0.00 C ATOM 294 CG GLU A 24 20.009 -31.708 11.799 1.00 0.00 C ATOM 295 CD GLU A 24 21.414 -31.392 11.326 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.736 -30.195 11.178 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.192 -32.344 11.103 1.00 0.00 O ATOM 0 H GLU A 24 18.084 -31.179 13.539 1.00 0.00 H new ATOM 0 HA GLU A 24 16.863 -30.409 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.138 -30.570 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.143 -29.753 11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.988 -31.710 12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.737 -32.712 11.473 1.00 0.00 H new ATOM 304 N SER A 25 17.316 -33.569 11.597 1.00 0.00 N ATOM 305 CA SER A 25 17.091 -34.905 11.058 1.00 0.00 C ATOM 306 C SER A 25 15.778 -34.965 10.284 1.00 0.00 C ATOM 307 O SER A 25 15.738 -35.424 9.143 1.00 0.00 O ATOM 308 CB SER A 25 17.079 -35.938 12.187 1.00 0.00 C ATOM 309 OG SER A 25 17.188 -37.255 11.675 1.00 0.00 O ATOM 0 H SER A 25 17.502 -33.545 12.600 1.00 0.00 H new ATOM 0 HA SER A 25 17.907 -35.136 10.373 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.903 -35.742 12.872 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.157 -35.843 12.761 1.00 0.00 H new ATOM 0 HG SER A 25 17.180 -37.896 12.416 1.00 0.00 H new ATOM 315 N GLU A 26 14.705 -34.498 10.915 1.00 0.00 N ATOM 316 CA GLU A 26 13.389 -34.499 10.286 1.00 0.00 C ATOM 317 C GLU A 26 13.332 -33.489 9.143 1.00 0.00 C ATOM 318 O GLU A 26 12.717 -33.743 8.106 1.00 0.00 O ATOM 319 CB GLU A 26 12.306 -34.179 11.318 1.00 0.00 C ATOM 320 CG GLU A 26 12.637 -32.986 12.199 1.00 0.00 C ATOM 321 CD GLU A 26 11.398 -32.292 12.731 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.839 -32.767 13.741 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.989 -31.273 12.137 1.00 0.00 O ATOM 0 H GLU A 26 14.721 -34.115 11.860 1.00 0.00 H new ATOM 0 HA GLU A 26 13.210 -35.494 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.367 -33.987 10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.148 -35.053 11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.251 -33.317 13.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.232 -32.272 11.629 1.00 0.00 H new ATOM 330 N LEU A 27 13.975 -32.344 9.340 1.00 0.00 N ATOM 331 CA LEU A 27 13.998 -31.295 8.327 1.00 0.00 C ATOM 332 C LEU A 27 14.686 -31.781 7.056 1.00 0.00 C ATOM 333 O LEU A 27 14.272 -31.445 5.947 1.00 0.00 O ATOM 334 CB LEU A 27 14.712 -30.054 8.865 1.00 0.00 C ATOM 335 CG LEU A 27 14.062 -29.375 10.071 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.204 -27.864 9.974 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.596 -29.770 10.179 1.00 0.00 C ATOM 0 H LEU A 27 14.488 -32.118 10.192 1.00 0.00 H new ATOM 0 HA LEU A 27 12.967 -31.036 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.730 -30.334 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.786 -29.324 8.059 1.00 0.00 H new ATOM 0 HG LEU A 27 14.575 -29.710 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.735 -27.398 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.261 -27.599 9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.718 -27.510 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.149 -29.278 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.069 -29.465 9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.518 -30.851 10.297 1.00 0.00 H new ATOM 349 N ASN A 28 15.738 -32.575 7.225 1.00 0.00 N ATOM 350 CA ASN A 28 16.483 -33.109 6.090 1.00 0.00 C ATOM 351 C ASN A 28 15.703 -34.226 5.404 1.00 0.00 C ATOM 352 O ASN A 28 15.659 -34.302 4.177 1.00 0.00 O ATOM 353 CB ASN A 28 17.846 -33.630 6.549 1.00 0.00 C ATOM 354 CG ASN A 28 18.874 -32.523 6.682 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.889 -32.516 5.985 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.614 -31.580 7.580 1.00 0.00 N ATOM 0 H ASN A 28 16.094 -32.863 8.136 1.00 0.00 H new ATOM 0 HA ASN A 28 16.633 -32.302 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.734 -34.135 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.206 -34.373 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.268 -30.809 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.760 -31.626 8.136 1.00 0.00 H new ATOM 363 N GLU A 29 15.089 -35.090 6.207 1.00 0.00 N ATOM 364 CA GLU A 29 14.310 -36.203 5.676 1.00 0.00 C ATOM 365 C GLU A 29 12.999 -35.711 5.070 1.00 0.00 C ATOM 366 O GLU A 29 12.368 -36.411 4.278 1.00 0.00 O ATOM 367 CB GLU A 29 14.024 -37.225 6.779 1.00 0.00 C ATOM 368 CG GLU A 29 15.232 -38.061 7.163 1.00 0.00 C ATOM 369 CD GLU A 29 14.851 -39.435 7.680 1.00 0.00 C ATOM 370 OE1 GLU A 29 14.231 -39.510 8.762 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.172 -40.434 7.004 1.00 0.00 O ATOM 0 H GLU A 29 15.116 -35.041 7.225 1.00 0.00 H new ATOM 0 HA GLU A 29 14.895 -36.681 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.660 -36.701 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.224 -37.888 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.883 -38.171 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.805 -37.535 7.927 1.00 0.00 H new ATOM 378 N ILE A 30 12.596 -34.503 5.450 1.00 0.00 N ATOM 379 CA ILE A 30 11.361 -33.917 4.944 1.00 0.00 C ATOM 380 C ILE A 30 11.635 -32.990 3.764 1.00 0.00 C ATOM 381 O ILE A 30 11.089 -33.175 2.676 1.00 0.00 O ATOM 382 CB ILE A 30 10.622 -33.128 6.041 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.076 -34.081 7.106 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.496 -32.304 5.434 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.760 -33.402 8.420 1.00 0.00 C ATOM 0 H ILE A 30 13.106 -33.912 6.106 1.00 0.00 H new ATOM 0 HA ILE A 30 10.731 -34.744 4.615 1.00 0.00 H new ATOM 0 HB ILE A 30 11.329 -32.448 6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.172 -34.558 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.805 -34.873 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.983 -31.752 6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.909 -31.602 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.788 -32.966 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.378 -34.138 9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.666 -32.949 8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.008 -32.629 8.259 1.00 0.00 H new ATOM 397 N PHE A 31 12.486 -31.994 3.987 1.00 0.00 N ATOM 398 CA PHE A 31 12.834 -31.039 2.942 1.00 0.00 C ATOM 399 C PHE A 31 13.920 -31.602 2.029 1.00 0.00 C ATOM 400 O PHE A 31 14.343 -30.952 1.074 1.00 0.00 O ATOM 401 CB PHE A 31 13.307 -29.722 3.562 1.00 0.00 C ATOM 402 CG PHE A 31 12.224 -28.983 4.295 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.692 -29.492 5.469 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.740 -27.778 3.812 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.696 -28.814 6.145 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.743 -27.095 4.484 1.00 0.00 C ATOM 407 CZ PHE A 31 10.222 -27.614 5.653 1.00 0.00 C ATOM 0 H PHE A 31 12.947 -31.827 4.882 1.00 0.00 H new ATOM 0 HA PHE A 31 11.942 -30.852 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.126 -29.927 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.705 -29.081 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.060 -30.429 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.146 -27.367 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.288 -29.222 7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.373 -26.158 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.445 -27.082 6.182 1.00 0.00 H new ATOM 417 N GLY A 32 14.366 -32.818 2.331 1.00 0.00 N ATOM 418 CA GLY A 32 15.398 -33.449 1.530 1.00 0.00 C ATOM 419 C GLY A 32 15.017 -33.548 0.066 1.00 0.00 C ATOM 420 O GLY A 32 15.690 -33.006 -0.811 1.00 0.00 O ATOM 0 H GLY A 32 14.031 -33.377 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.324 -32.882 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.596 -34.448 1.919 1.00 0.00 H new ATOM 424 N PRO A 33 13.913 -34.256 -0.215 1.00 0.00 N ATOM 425 CA PRO A 33 13.419 -34.442 -1.583 1.00 0.00 C ATOM 426 C PRO A 33 12.863 -33.153 -2.179 1.00 0.00 C ATOM 427 O PRO A 33 11.689 -33.082 -2.544 1.00 0.00 O ATOM 428 CB PRO A 33 12.305 -35.479 -1.420 1.00 0.00 C ATOM 429 CG PRO A 33 11.846 -35.323 -0.011 1.00 0.00 C ATOM 430 CD PRO A 33 13.062 -34.929 0.780 1.00 0.00 C ATOM 0 HA PRO A 33 14.212 -34.751 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.492 -35.300 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.673 -36.488 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.069 -34.563 0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.420 -36.253 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.806 -34.264 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.559 -35.798 1.212 1.00 0.00 H new ATOM 438 N PHE A 34 13.712 -32.136 -2.274 1.00 0.00 N ATOM 439 CA PHE A 34 13.305 -30.848 -2.825 1.00 0.00 C ATOM 440 C PHE A 34 14.481 -30.150 -3.502 1.00 0.00 C ATOM 441 O PHE A 34 14.342 -29.585 -4.586 1.00 0.00 O ATOM 442 CB PHE A 34 12.733 -29.955 -1.723 1.00 0.00 C ATOM 443 CG PHE A 34 11.309 -30.278 -1.369 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.380 -30.550 -2.360 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.900 -30.307 -0.045 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.069 -30.848 -2.038 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.591 -30.604 0.283 1.00 0.00 C ATOM 448 CZ PHE A 34 8.674 -30.874 -0.715 1.00 0.00 C ATOM 0 H PHE A 34 14.687 -32.178 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 34 12.533 -31.029 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.352 -30.051 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.793 -28.914 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.683 -30.529 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.612 -30.095 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.355 -31.060 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.285 -30.625 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.650 -31.105 -0.461 1.00 0.00 H new ATOM 458 N GLY A 35 15.641 -30.193 -2.852 1.00 0.00 N ATOM 459 CA GLY A 35 16.825 -29.561 -3.405 1.00 0.00 C ATOM 460 C GLY A 35 17.934 -29.414 -2.382 1.00 0.00 C ATOM 461 O GLY A 35 17.780 -29.766 -1.213 1.00 0.00 O ATOM 0 H GLY A 35 15.781 -30.654 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.188 -30.150 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.560 -28.578 -3.794 1.00 0.00 H new ATOM 465 N PRO A 36 19.085 -28.885 -2.824 1.00 0.00 N ATOM 466 CA PRO A 36 20.248 -28.682 -1.955 1.00 0.00 C ATOM 467 C PRO A 36 20.019 -27.577 -0.929 1.00 0.00 C ATOM 468 O PRO A 36 20.083 -26.392 -1.255 1.00 0.00 O ATOM 469 CB PRO A 36 21.356 -28.282 -2.933 1.00 0.00 C ATOM 470 CG PRO A 36 20.639 -27.694 -4.098 1.00 0.00 C ATOM 471 CD PRO A 36 19.339 -28.443 -4.205 1.00 0.00 C ATOM 0 HA PRO A 36 20.479 -29.571 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.039 -27.561 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.953 -29.145 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.464 -26.628 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.226 -27.798 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.537 -27.805 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.417 -29.288 -4.889 1.00 0.00 H new ATOM 479 N MET A 37 19.752 -27.973 0.311 1.00 0.00 N ATOM 480 CA MET A 37 19.516 -27.015 1.385 1.00 0.00 C ATOM 481 C MET A 37 20.788 -26.241 1.713 1.00 0.00 C ATOM 482 O MET A 37 21.762 -26.809 2.208 1.00 0.00 O ATOM 483 CB MET A 37 19.005 -27.734 2.635 1.00 0.00 C ATOM 484 CG MET A 37 17.897 -28.734 2.351 1.00 0.00 C ATOM 485 SD MET A 37 18.469 -30.443 2.418 1.00 0.00 S ATOM 486 CE MET A 37 18.530 -30.710 4.188 1.00 0.00 C ATOM 0 H MET A 37 19.694 -28.950 0.597 1.00 0.00 H new ATOM 0 HA MET A 37 18.759 -26.307 1.047 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.837 -28.252 3.112 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.641 -26.993 3.347 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.094 -28.595 3.074 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.476 -28.534 1.365 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.285 -31.749 4.408 1.00 0.00 H new ATOM 0 HE2 MET A 37 19.532 -30.488 4.555 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.810 -30.055 4.680 1.00 0.00 H new ATOM 496 N LYS A 38 20.774 -24.942 1.434 1.00 0.00 N ATOM 497 CA LYS A 38 21.927 -24.089 1.701 1.00 0.00 C ATOM 498 C LYS A 38 22.187 -23.979 3.200 1.00 0.00 C ATOM 499 O LYS A 38 23.330 -23.832 3.631 1.00 0.00 O ATOM 500 CB LYS A 38 21.705 -22.697 1.107 1.00 0.00 C ATOM 501 CG LYS A 38 22.731 -21.672 1.558 1.00 0.00 C ATOM 502 CD LYS A 38 22.489 -20.318 0.913 1.00 0.00 C ATOM 503 CE LYS A 38 22.657 -20.383 -0.598 1.00 0.00 C ATOM 504 NZ LYS A 38 23.101 -19.078 -1.162 1.00 0.00 N ATOM 0 H LYS A 38 19.977 -24.456 1.023 1.00 0.00 H new ATOM 0 HA LYS A 38 22.800 -24.543 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.728 -22.767 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.710 -22.348 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.693 -21.571 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.732 -22.022 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 38 21.483 -19.973 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.184 -19.587 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.385 -21.154 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 38 21.712 -20.674 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.204 -19.163 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.394 -18.347 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.015 -18.812 -0.743 1.00 0.00 H new ATOM 518 N GLU A 39 21.119 -24.052 3.988 1.00 0.00 N ATOM 519 CA GLU A 39 21.234 -23.961 5.439 1.00 0.00 C ATOM 520 C GLU A 39 19.950 -24.429 6.117 1.00 0.00 C ATOM 521 O GLU A 39 18.894 -24.504 5.488 1.00 0.00 O ATOM 522 CB GLU A 39 21.551 -22.524 5.858 1.00 0.00 C ATOM 523 CG GLU A 39 22.735 -22.413 6.804 1.00 0.00 C ATOM 524 CD GLU A 39 24.040 -22.837 6.157 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.550 -22.083 5.302 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.550 -23.922 6.506 1.00 0.00 O ATOM 0 H GLU A 39 20.166 -24.174 3.647 1.00 0.00 H new ATOM 0 HA GLU A 39 22.049 -24.612 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.752 -21.930 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.672 -22.092 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.823 -21.383 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.552 -23.031 7.683 1.00 0.00 H new ATOM 533 N VAL A 40 20.048 -24.744 7.405 1.00 0.00 N ATOM 534 CA VAL A 40 18.895 -25.204 8.170 1.00 0.00 C ATOM 535 C VAL A 40 18.956 -24.705 9.609 1.00 0.00 C ATOM 536 O VAL A 40 20.034 -24.579 10.190 1.00 0.00 O ATOM 537 CB VAL A 40 18.803 -26.742 8.175 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.139 -27.241 6.900 1.00 0.00 C ATOM 539 CG2 VAL A 40 20.184 -27.358 8.343 1.00 0.00 C ATOM 0 H VAL A 40 20.914 -24.689 7.941 1.00 0.00 H new ATOM 0 HA VAL A 40 18.009 -24.796 7.684 1.00 0.00 H new ATOM 0 HB VAL A 40 18.188 -27.049 9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.083 -28.329 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.133 -26.827 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.725 -26.925 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 40 20.100 -28.445 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.825 -27.045 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.618 -27.027 9.286 1.00 0.00 H new ATOM 549 N LYS A 41 17.790 -24.422 10.181 1.00 0.00 N ATOM 550 CA LYS A 41 17.708 -23.938 11.553 1.00 0.00 C ATOM 551 C LYS A 41 16.521 -24.563 12.281 1.00 0.00 C ATOM 552 O LYS A 41 15.402 -24.572 11.767 1.00 0.00 O ATOM 553 CB LYS A 41 17.586 -22.413 11.572 1.00 0.00 C ATOM 554 CG LYS A 41 18.923 -21.696 11.644 1.00 0.00 C ATOM 555 CD LYS A 41 19.482 -21.419 10.258 1.00 0.00 C ATOM 556 CE LYS A 41 19.092 -20.034 9.767 1.00 0.00 C ATOM 557 NZ LYS A 41 20.092 -19.003 10.159 1.00 0.00 N ATOM 0 H LYS A 41 16.888 -24.520 9.714 1.00 0.00 H new ATOM 0 HA LYS A 41 18.623 -24.229 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.057 -22.088 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.978 -22.116 12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.805 -20.757 12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.632 -22.301 12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.568 -21.507 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.115 -22.171 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.992 -20.049 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.117 -19.766 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.023 -18.190 9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.904 -18.690 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.048 -19.408 10.104 1.00 0.00 H new ATOM 571 N ILE A 42 16.774 -25.082 13.477 1.00 0.00 N ATOM 572 CA ILE A 42 15.725 -25.706 14.275 1.00 0.00 C ATOM 573 C ILE A 42 15.794 -25.247 15.728 1.00 0.00 C ATOM 574 O ILE A 42 16.701 -25.628 16.469 1.00 0.00 O ATOM 575 CB ILE A 42 15.821 -27.242 14.228 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.273 -27.678 14.024 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.935 -27.794 13.121 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.667 -27.806 12.570 1.00 0.00 C ATOM 0 H ILE A 42 17.695 -25.083 13.915 1.00 0.00 H new ATOM 0 HA ILE A 42 14.773 -25.397 13.844 1.00 0.00 H new ATOM 0 HB ILE A 42 15.472 -27.643 15.180 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.932 -26.957 14.508 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.429 -28.636 14.520 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.013 -28.881 13.100 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.900 -27.508 13.307 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.256 -27.389 12.162 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.709 -28.118 12.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.033 -28.548 12.085 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.543 -26.844 12.073 1.00 0.00 H new ATOM 590 N LEU A 43 14.828 -24.429 16.131 1.00 0.00 N ATOM 591 CA LEU A 43 14.776 -23.920 17.497 1.00 0.00 C ATOM 592 C LEU A 43 13.440 -24.252 18.152 1.00 0.00 C ATOM 593 O LEU A 43 12.408 -24.316 17.484 1.00 0.00 O ATOM 594 CB LEU A 43 15.000 -22.407 17.506 1.00 0.00 C ATOM 595 CG LEU A 43 16.204 -21.901 16.711 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.999 -20.453 16.295 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.481 -22.048 17.526 1.00 0.00 C ATOM 0 H LEU A 43 14.070 -24.104 15.531 1.00 0.00 H new ATOM 0 HA LEU A 43 15.569 -24.402 18.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.104 -21.925 17.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.111 -22.083 18.541 1.00 0.00 H new ATOM 0 HG LEU A 43 16.300 -22.506 15.810 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.866 -20.110 15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.107 -20.376 15.673 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.876 -19.833 17.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.328 -21.683 16.945 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.395 -21.468 18.445 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.636 -23.098 17.773 1.00 0.00 H new ATOM 609 N ASN A 44 13.465 -24.461 19.464 1.00 0.00 N ATOM 610 CA ASN A 44 12.255 -24.785 20.211 1.00 0.00 C ATOM 611 C ASN A 44 11.263 -23.627 20.168 1.00 0.00 C ATOM 612 O ASN A 44 11.270 -22.758 21.040 1.00 0.00 O ATOM 613 CB ASN A 44 12.601 -25.122 21.663 1.00 0.00 C ATOM 614 CG ASN A 44 11.706 -26.205 22.234 1.00 0.00 C ATOM 615 OD1 ASN A 44 11.658 -27.349 21.560 1.00 0.00 O flip ATOM 616 ND2 ASN A 44 11.066 -26.016 23.268 1.00 0.00 N flip ATOM 0 H ASN A 44 14.311 -24.412 20.032 1.00 0.00 H new ATOM 0 HA ASN A 44 11.792 -25.654 19.744 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.640 -25.446 21.720 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.513 -24.223 22.273 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.133 -25.121 23.753 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.468 -26.754 23.640 1.00 0.00 H new ATOM 623 N GLY A 45 10.411 -23.621 19.148 1.00 0.00 N ATOM 624 CA GLY A 45 9.424 -22.566 19.011 1.00 0.00 C ATOM 625 C GLY A 45 9.236 -22.132 17.571 1.00 0.00 C ATOM 626 O GLY A 45 8.212 -21.545 17.220 1.00 0.00 O ATOM 0 H GLY A 45 10.387 -24.328 18.414 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.470 -22.911 19.411 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.729 -21.707 19.609 1.00 0.00 H new ATOM 630 N PHE A 46 10.227 -22.419 16.733 1.00 0.00 N ATOM 631 CA PHE A 46 10.167 -22.052 15.323 1.00 0.00 C ATOM 632 C PHE A 46 11.289 -22.725 14.538 1.00 0.00 C ATOM 633 O PHE A 46 12.359 -23.004 15.079 1.00 0.00 O ATOM 634 CB PHE A 46 10.259 -20.533 15.165 1.00 0.00 C ATOM 635 CG PHE A 46 10.960 -19.853 16.306 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.271 -20.172 16.621 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.308 -18.894 17.065 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.919 -19.548 17.670 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.951 -18.266 18.115 1.00 0.00 C ATOM 640 CZ PHE A 46 12.258 -18.595 18.419 1.00 0.00 C ATOM 0 H PHE A 46 11.081 -22.905 17.006 1.00 0.00 H new ATOM 0 HA PHE A 46 9.212 -22.395 14.924 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.784 -20.303 14.238 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.253 -20.124 15.071 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.793 -20.918 16.040 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.286 -18.634 16.833 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.941 -19.806 17.904 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.432 -17.519 18.697 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.762 -18.108 19.241 1.00 0.00 H new ATOM 650 N ALA A 47 11.036 -22.982 13.259 1.00 0.00 N ATOM 651 CA ALA A 47 12.024 -23.621 12.398 1.00 0.00 C ATOM 652 C ALA A 47 12.246 -22.813 11.124 1.00 0.00 C ATOM 653 O ALA A 47 11.344 -22.121 10.651 1.00 0.00 O ATOM 654 CB ALA A 47 11.591 -25.039 12.058 1.00 0.00 C ATOM 0 H ALA A 47 10.155 -22.758 12.796 1.00 0.00 H new ATOM 0 HA ALA A 47 12.969 -23.663 12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.338 -25.503 11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.491 -25.619 12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.632 -25.012 11.540 1.00 0.00 H new ATOM 660 N PHE A 48 13.451 -22.906 10.572 1.00 0.00 N ATOM 661 CA PHE A 48 13.791 -22.182 9.352 1.00 0.00 C ATOM 662 C PHE A 48 14.666 -23.036 8.439 1.00 0.00 C ATOM 663 O PHE A 48 15.539 -23.770 8.905 1.00 0.00 O ATOM 664 CB PHE A 48 14.513 -20.877 9.693 1.00 0.00 C ATOM 665 CG PHE A 48 13.829 -20.077 10.765 1.00 0.00 C ATOM 666 CD1 PHE A 48 14.035 -20.369 12.104 1.00 0.00 C ATOM 667 CD2 PHE A 48 12.982 -19.032 10.434 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.408 -19.635 13.093 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.353 -18.294 11.419 1.00 0.00 C ATOM 670 CZ PHE A 48 12.565 -18.596 12.749 1.00 0.00 C ATOM 0 H PHE A 48 14.208 -23.475 10.950 1.00 0.00 H new ATOM 0 HA PHE A 48 12.865 -21.951 8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.529 -21.106 10.014 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.593 -20.269 8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.694 -21.180 12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.811 -18.791 9.395 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.577 -19.873 14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.696 -17.481 11.148 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.073 -18.021 13.519 1.00 0.00 H new ATOM 680 N VAL A 49 14.425 -22.936 7.136 1.00 0.00 N ATOM 681 CA VAL A 49 15.190 -23.699 6.156 1.00 0.00 C ATOM 682 C VAL A 49 15.510 -22.852 4.930 1.00 0.00 C ATOM 683 O VAL A 49 14.609 -22.375 4.241 1.00 0.00 O ATOM 684 CB VAL A 49 14.430 -24.962 5.711 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.069 -24.593 5.140 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.249 -25.745 4.695 1.00 0.00 C ATOM 0 H VAL A 49 13.706 -22.334 6.734 1.00 0.00 H new ATOM 0 HA VAL A 49 16.120 -23.996 6.641 1.00 0.00 H new ATOM 0 HB VAL A 49 14.271 -25.596 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.547 -25.498 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.483 -24.078 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.201 -23.938 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.697 -26.635 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.440 -25.120 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.197 -26.042 5.143 1.00 0.00 H new ATOM 696 N GLU A 50 16.800 -22.670 4.663 1.00 0.00 N ATOM 697 CA GLU A 50 17.238 -21.880 3.518 1.00 0.00 C ATOM 698 C GLU A 50 17.787 -22.780 2.414 1.00 0.00 C ATOM 699 O GLU A 50 18.852 -23.381 2.559 1.00 0.00 O ATOM 700 CB GLU A 50 18.305 -20.871 3.946 1.00 0.00 C ATOM 701 CG GLU A 50 18.913 -20.099 2.786 1.00 0.00 C ATOM 702 CD GLU A 50 19.386 -18.716 3.191 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.894 -18.569 4.322 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.249 -17.781 2.374 1.00 0.00 O ATOM 0 H GLU A 50 17.559 -23.058 5.223 1.00 0.00 H new ATOM 0 HA GLU A 50 16.374 -21.342 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.864 -20.165 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.098 -21.397 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.753 -20.662 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.176 -20.008 1.989 1.00 0.00 H new ATOM 711 N PHE A 51 17.052 -22.868 1.311 1.00 0.00 N ATOM 712 CA PHE A 51 17.463 -23.695 0.182 1.00 0.00 C ATOM 713 C PHE A 51 18.508 -22.977 -0.666 1.00 0.00 C ATOM 714 O PHE A 51 18.544 -21.748 -0.715 1.00 0.00 O ATOM 715 CB PHE A 51 16.252 -24.058 -0.679 1.00 0.00 C ATOM 716 CG PHE A 51 15.567 -25.323 -0.249 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.159 -26.557 -0.469 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.331 -25.280 0.377 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.531 -27.723 -0.074 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.698 -26.443 0.774 1.00 0.00 C ATOM 721 CZ PHE A 51 14.299 -27.665 0.549 1.00 0.00 C ATOM 0 H PHE A 51 16.169 -22.377 1.174 1.00 0.00 H new ATOM 0 HA PHE A 51 17.907 -24.609 0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.535 -23.238 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.572 -24.162 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.122 -26.608 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.857 -24.326 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.003 -28.678 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.734 -26.396 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.807 -28.575 0.860 1.00 0.00 H new ATOM 731 N GLU A 52 19.357 -23.754 -1.332 1.00 0.00 N ATOM 732 CA GLU A 52 20.404 -23.192 -2.177 1.00 0.00 C ATOM 733 C GLU A 52 19.837 -22.747 -3.522 1.00 0.00 C ATOM 734 O GLU A 52 20.565 -22.249 -4.380 1.00 0.00 O ATOM 735 CB GLU A 52 21.519 -24.216 -2.395 1.00 0.00 C ATOM 736 CG GLU A 52 22.827 -23.602 -2.864 1.00 0.00 C ATOM 737 CD GLU A 52 24.039 -24.395 -2.415 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.105 -24.750 -1.220 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.921 -24.660 -3.258 1.00 0.00 O ATOM 0 H GLU A 52 19.340 -24.773 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 52 20.816 -22.320 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.694 -24.754 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.188 -24.950 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.823 -23.536 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.903 -22.583 -2.483 1.00 0.00 H new ATOM 746 N GLU A 53 18.532 -22.933 -3.699 1.00 0.00 N ATOM 747 CA GLU A 53 17.868 -22.552 -4.940 1.00 0.00 C ATOM 748 C GLU A 53 16.476 -21.993 -4.662 1.00 0.00 C ATOM 749 O GLU A 53 15.656 -22.636 -4.007 1.00 0.00 O ATOM 750 CB GLU A 53 17.768 -23.755 -5.880 1.00 0.00 C ATOM 751 CG GLU A 53 18.979 -23.924 -6.783 1.00 0.00 C ATOM 752 CD GLU A 53 19.274 -22.683 -7.602 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.410 -22.288 -8.413 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.368 -22.106 -7.432 1.00 0.00 O ATOM 0 H GLU A 53 17.915 -23.345 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 53 18.464 -21.775 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.639 -24.660 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.876 -23.650 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.850 -24.169 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.812 -24.766 -7.454 1.00 0.00 H new ATOM 761 N ALA A 54 16.216 -20.791 -5.166 1.00 0.00 N ATOM 762 CA ALA A 54 14.924 -20.145 -4.975 1.00 0.00 C ATOM 763 C ALA A 54 13.781 -21.075 -5.368 1.00 0.00 C ATOM 764 O ALA A 54 12.783 -21.182 -4.656 1.00 0.00 O ATOM 765 CB ALA A 54 14.855 -18.854 -5.777 1.00 0.00 C ATOM 0 H ALA A 54 16.884 -20.245 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 54 14.818 -19.908 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.884 -18.382 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.643 -18.178 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.988 -19.076 -6.836 1.00 0.00 H new ATOM 771 N GLU A 55 13.935 -21.747 -6.505 1.00 0.00 N ATOM 772 CA GLU A 55 12.915 -22.667 -6.992 1.00 0.00 C ATOM 773 C GLU A 55 12.587 -23.723 -5.940 1.00 0.00 C ATOM 774 O GLU A 55 11.424 -23.930 -5.594 1.00 0.00 O ATOM 775 CB GLU A 55 13.381 -23.345 -8.282 1.00 0.00 C ATOM 776 CG GLU A 55 12.268 -24.056 -9.033 1.00 0.00 C ATOM 777 CD GLU A 55 12.652 -24.394 -10.461 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.228 -23.522 -11.144 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.375 -25.532 -10.895 1.00 0.00 O ATOM 0 H GLU A 55 14.756 -21.671 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 55 12.013 -22.091 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.827 -22.595 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.163 -24.065 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.006 -24.973 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.379 -23.426 -9.039 1.00 0.00 H new ATOM 786 N SER A 56 13.621 -24.388 -5.435 1.00 0.00 N ATOM 787 CA SER A 56 13.444 -25.425 -4.426 1.00 0.00 C ATOM 788 C SER A 56 12.672 -24.888 -3.225 1.00 0.00 C ATOM 789 O SER A 56 11.756 -25.538 -2.721 1.00 0.00 O ATOM 790 CB SER A 56 14.803 -25.964 -3.974 1.00 0.00 C ATOM 791 OG SER A 56 14.685 -27.281 -3.466 1.00 0.00 O ATOM 0 H SER A 56 14.590 -24.227 -5.708 1.00 0.00 H new ATOM 0 HA SER A 56 12.869 -26.237 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.499 -25.955 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.220 -25.311 -3.207 1.00 0.00 H new ATOM 0 HG SER A 56 14.403 -27.885 -4.185 1.00 0.00 H new ATOM 797 N ALA A 57 13.049 -23.697 -2.771 1.00 0.00 N ATOM 798 CA ALA A 57 12.391 -23.071 -1.631 1.00 0.00 C ATOM 799 C ALA A 57 10.929 -22.767 -1.939 1.00 0.00 C ATOM 800 O ALA A 57 10.032 -23.169 -1.198 1.00 0.00 O ATOM 801 CB ALA A 57 13.124 -21.798 -1.233 1.00 0.00 C ATOM 0 H ALA A 57 13.807 -23.147 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 57 12.421 -23.771 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.622 -21.341 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.152 -22.040 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.124 -21.101 -2.071 1.00 0.00 H new ATOM 807 N ALA A 58 10.696 -22.055 -3.037 1.00 0.00 N ATOM 808 CA ALA A 58 9.342 -21.698 -3.443 1.00 0.00 C ATOM 809 C ALA A 58 8.455 -22.935 -3.541 1.00 0.00 C ATOM 810 O ALA A 58 7.253 -22.871 -3.283 1.00 0.00 O ATOM 811 CB ALA A 58 9.367 -20.958 -4.772 1.00 0.00 C ATOM 0 H ALA A 58 11.427 -21.714 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 58 8.922 -21.041 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.349 -20.698 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.959 -20.049 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.810 -21.597 -5.536 1.00 0.00 H new ATOM 817 N LYS A 59 9.055 -24.060 -3.915 1.00 0.00 N ATOM 818 CA LYS A 59 8.320 -25.312 -4.047 1.00 0.00 C ATOM 819 C LYS A 59 8.040 -25.925 -2.678 1.00 0.00 C ATOM 820 O LYS A 59 6.892 -26.218 -2.343 1.00 0.00 O ATOM 821 CB LYS A 59 9.109 -26.302 -4.908 1.00 0.00 C ATOM 822 CG LYS A 59 8.890 -26.118 -6.400 1.00 0.00 C ATOM 823 CD LYS A 59 7.525 -26.629 -6.830 1.00 0.00 C ATOM 824 CE LYS A 59 6.997 -25.863 -8.033 1.00 0.00 C ATOM 825 NZ LYS A 59 5.761 -26.482 -8.586 1.00 0.00 N ATOM 0 H LYS A 59 10.049 -24.130 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 59 7.368 -25.096 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.171 -26.195 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.827 -27.318 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.981 -25.062 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.668 -26.647 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.592 -27.689 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.823 -26.536 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.789 -24.833 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.764 -25.829 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.433 -25.931 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.965 -27.457 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.021 -26.491 -7.856 1.00 0.00 H new ATOM 839 N ALA A 60 9.094 -26.114 -1.892 1.00 0.00 N ATOM 840 CA ALA A 60 8.960 -26.688 -0.559 1.00 0.00 C ATOM 841 C ALA A 60 7.908 -25.943 0.256 1.00 0.00 C ATOM 842 O ALA A 60 7.216 -26.536 1.084 1.00 0.00 O ATOM 843 CB ALA A 60 10.300 -26.669 0.161 1.00 0.00 C ATOM 0 H ALA A 60 10.051 -25.878 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 60 8.633 -27.722 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.185 -27.101 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.026 -27.252 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.651 -25.641 0.250 1.00 0.00 H new ATOM 849 N ILE A 61 7.794 -24.641 0.017 1.00 0.00 N ATOM 850 CA ILE A 61 6.827 -23.816 0.730 1.00 0.00 C ATOM 851 C ILE A 61 5.398 -24.236 0.400 1.00 0.00 C ATOM 852 O ILE A 61 4.531 -24.260 1.273 1.00 0.00 O ATOM 853 CB ILE A 61 7.002 -22.323 0.392 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.367 -21.827 0.872 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.884 -21.504 1.018 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.906 -20.666 0.065 1.00 0.00 C ATOM 0 H ILE A 61 8.359 -24.135 -0.665 1.00 0.00 H new ATOM 0 HA ILE A 61 7.011 -23.963 1.794 1.00 0.00 H new ATOM 0 HB ILE A 61 6.952 -22.201 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.289 -21.527 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.080 -22.651 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.021 -20.451 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.923 -21.845 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.905 -21.628 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.876 -20.367 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.017 -20.967 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.214 -19.826 0.128 1.00 0.00 H new ATOM 868 N GLU A 62 5.161 -24.567 -0.866 1.00 0.00 N ATOM 869 CA GLU A 62 3.838 -24.986 -1.310 1.00 0.00 C ATOM 870 C GLU A 62 3.666 -26.495 -1.157 1.00 0.00 C ATOM 871 O GLU A 62 2.553 -27.014 -1.234 1.00 0.00 O ATOM 872 CB GLU A 62 3.612 -24.582 -2.768 1.00 0.00 C ATOM 873 CG GLU A 62 3.357 -23.095 -2.955 1.00 0.00 C ATOM 874 CD GLU A 62 2.682 -22.781 -4.276 1.00 0.00 C ATOM 875 OE1 GLU A 62 2.208 -23.726 -4.941 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.628 -21.589 -4.644 1.00 0.00 O ATOM 0 H GLU A 62 5.868 -24.553 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 62 3.098 -24.487 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.484 -24.869 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.763 -25.140 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.734 -22.731 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.304 -22.558 -2.898 1.00 0.00 H new ATOM 883 N GLU A 63 4.777 -27.193 -0.941 1.00 0.00 N ATOM 884 CA GLU A 63 4.749 -28.641 -0.779 1.00 0.00 C ATOM 885 C GLU A 63 4.598 -29.022 0.691 1.00 0.00 C ATOM 886 O GLU A 63 3.578 -29.580 1.098 1.00 0.00 O ATOM 887 CB GLU A 63 6.024 -29.265 -1.350 1.00 0.00 C ATOM 888 CG GLU A 63 6.225 -28.991 -2.831 1.00 0.00 C ATOM 889 CD GLU A 63 5.778 -30.148 -3.704 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.910 -30.927 -3.259 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.297 -30.272 -4.834 1.00 0.00 O ATOM 0 H GLU A 63 5.707 -26.779 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 63 3.888 -29.025 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.883 -28.884 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.995 -30.343 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.670 -28.095 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.279 -28.785 -3.019 1.00 0.00 H new ATOM 898 N VAL A 64 5.620 -28.716 1.484 1.00 0.00 N ATOM 899 CA VAL A 64 5.602 -29.025 2.908 1.00 0.00 C ATOM 900 C VAL A 64 4.343 -28.479 3.573 1.00 0.00 C ATOM 901 O VAL A 64 3.743 -29.136 4.424 1.00 0.00 O ATOM 902 CB VAL A 64 6.838 -28.447 3.623 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.906 -28.945 5.059 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.108 -28.806 2.866 1.00 0.00 C ATOM 0 H VAL A 64 6.471 -28.254 1.164 1.00 0.00 H new ATOM 0 HA VAL A 64 5.615 -30.111 2.996 1.00 0.00 H new ATOM 0 HB VAL A 64 6.749 -27.361 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.786 -28.526 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.010 -28.633 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.972 -30.033 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.971 -28.390 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.205 -29.890 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.059 -28.396 1.857 1.00 0.00 H new ATOM 914 N HIS A 65 3.947 -27.274 3.178 1.00 0.00 N ATOM 915 CA HIS A 65 2.757 -26.639 3.735 1.00 0.00 C ATOM 916 C HIS A 65 1.531 -27.527 3.548 1.00 0.00 C ATOM 917 O HIS A 65 1.149 -27.848 2.423 1.00 0.00 O ATOM 918 CB HIS A 65 2.522 -25.280 3.075 1.00 0.00 C ATOM 919 CG HIS A 65 1.221 -24.645 3.459 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.296 -24.207 2.535 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.692 -24.377 4.675 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.745 -23.695 3.166 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.530 -23.787 4.466 1.00 0.00 N ATOM 0 H HIS A 65 4.432 -26.717 2.475 1.00 0.00 H new ATOM 0 HA HIS A 65 2.919 -26.492 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.338 -24.609 3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.552 -25.401 1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.146 -24.588 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.623 -23.273 2.699 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.168 -23.471 5.196 1.00 0.00 H new ATOM 931 N GLY A 66 0.917 -27.922 4.660 1.00 0.00 N ATOM 932 CA GLY A 66 -0.259 -28.770 4.597 1.00 0.00 C ATOM 933 C GLY A 66 0.066 -30.231 4.833 1.00 0.00 C ATOM 934 O GLY A 66 -0.795 -31.099 4.685 1.00 0.00 O ATOM 0 H GLY A 66 1.213 -27.670 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.983 -28.437 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.731 -28.659 3.621 1.00 0.00 H new ATOM 938 N LYS A 67 1.313 -30.506 5.201 1.00 0.00 N ATOM 939 CA LYS A 67 1.752 -31.872 5.458 1.00 0.00 C ATOM 940 C LYS A 67 1.447 -32.280 6.896 1.00 0.00 C ATOM 941 O LYS A 67 0.844 -31.519 7.652 1.00 0.00 O ATOM 942 CB LYS A 67 3.251 -32.008 5.185 1.00 0.00 C ATOM 943 CG LYS A 67 3.592 -32.137 3.711 1.00 0.00 C ATOM 944 CD LYS A 67 4.636 -33.214 3.471 1.00 0.00 C ATOM 945 CE LYS A 67 6.012 -32.773 3.946 1.00 0.00 C ATOM 946 NZ LYS A 67 6.856 -33.929 4.355 1.00 0.00 N ATOM 0 H LYS A 67 2.038 -29.800 5.328 1.00 0.00 H new ATOM 0 HA LYS A 67 1.206 -32.535 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.766 -31.139 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.630 -32.882 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.689 -32.372 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.961 -31.182 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.345 -34.126 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.676 -33.453 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.512 -32.223 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.903 -32.088 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.152 -33.810 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.309 -34.809 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.697 -33.977 3.746 1.00 0.00 H new ATOM 960 N SER A 68 1.869 -33.485 7.267 1.00 0.00 N ATOM 961 CA SER A 68 1.639 -33.994 8.614 1.00 0.00 C ATOM 962 C SER A 68 2.955 -34.388 9.278 1.00 0.00 C ATOM 963 O SER A 68 3.885 -34.846 8.615 1.00 0.00 O ATOM 964 CB SER A 68 0.695 -35.198 8.572 1.00 0.00 C ATOM 965 OG SER A 68 -0.660 -34.784 8.573 1.00 0.00 O ATOM 0 H SER A 68 2.372 -34.127 6.654 1.00 0.00 H new ATOM 0 HA SER A 68 1.179 -33.200 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.897 -35.791 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.883 -35.841 9.432 1.00 0.00 H new ATOM 0 HG SER A 68 -1.243 -35.571 8.544 1.00 0.00 H new ATOM 971 N PHE A 69 3.024 -34.205 10.592 1.00 0.00 N ATOM 972 CA PHE A 69 4.226 -34.539 11.348 1.00 0.00 C ATOM 973 C PHE A 69 3.976 -34.418 12.849 1.00 0.00 C ATOM 974 O PHE A 69 3.407 -33.432 13.316 1.00 0.00 O ATOM 975 CB PHE A 69 5.383 -33.626 10.937 1.00 0.00 C ATOM 976 CG PHE A 69 6.708 -34.043 11.509 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.065 -33.684 12.798 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.596 -34.795 10.757 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.283 -34.066 13.327 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.816 -35.180 11.280 1.00 0.00 C ATOM 981 CZ PHE A 69 9.160 -34.816 12.567 1.00 0.00 C ATOM 0 H PHE A 69 2.262 -33.827 11.156 1.00 0.00 H new ATOM 0 HA PHE A 69 4.490 -35.572 11.124 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.454 -33.611 9.849 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.163 -32.607 11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.383 -33.098 13.397 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.332 -35.084 9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.549 -33.779 14.333 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.500 -35.765 10.683 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.112 -35.117 12.978 1.00 0.00 H new ATOM 991 N ALA A 70 4.406 -35.428 13.597 1.00 0.00 N ATOM 992 CA ALA A 70 4.231 -35.435 15.044 1.00 0.00 C ATOM 993 C ALA A 70 2.754 -35.369 15.419 1.00 0.00 C ATOM 994 O ALA A 70 2.381 -34.727 16.400 1.00 0.00 O ATOM 995 CB ALA A 70 4.989 -34.276 15.673 1.00 0.00 C ATOM 0 H ALA A 70 4.878 -36.252 13.225 1.00 0.00 H new ATOM 0 HA ALA A 70 4.635 -36.371 15.429 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.849 -34.294 16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.050 -34.368 15.443 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.611 -33.335 15.274 1.00 0.00 H new ATOM 1001 N ASN A 71 1.918 -36.036 14.630 1.00 0.00 N ATOM 1002 CA ASN A 71 0.481 -36.052 14.879 1.00 0.00 C ATOM 1003 C ASN A 71 -0.091 -34.638 14.852 1.00 0.00 C ATOM 1004 O ASN A 71 -1.015 -34.318 15.599 1.00 0.00 O ATOM 1005 CB ASN A 71 0.183 -36.709 16.228 1.00 0.00 C ATOM 1006 CG ASN A 71 0.182 -38.223 16.147 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.706 -38.822 15.539 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.179 -38.850 16.761 1.00 0.00 N ATOM 0 H ASN A 71 2.211 -36.572 13.813 1.00 0.00 H new ATOM 0 HA ASN A 71 0.007 -36.632 14.088 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.926 -36.388 16.957 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.787 -36.367 16.589 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.230 -39.868 16.741 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.893 -38.313 17.253 1.00 0.00 H new ATOM 1015 N GLN A 72 0.465 -33.797 13.985 1.00 0.00 N ATOM 1016 CA GLN A 72 0.010 -32.418 13.861 1.00 0.00 C ATOM 1017 C GLN A 72 0.266 -31.884 12.455 1.00 0.00 C ATOM 1018 O GLN A 72 1.216 -32.279 11.779 1.00 0.00 O ATOM 1019 CB GLN A 72 0.712 -31.532 14.891 1.00 0.00 C ATOM 1020 CG GLN A 72 0.410 -31.915 16.331 1.00 0.00 C ATOM 1021 CD GLN A 72 1.029 -30.960 17.332 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.971 -29.741 17.162 1.00 0.00 O ATOM 1023 NE2 GLN A 72 1.626 -31.508 18.383 1.00 0.00 N ATOM 0 H GLN A 72 1.231 -34.047 13.359 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.064 -32.399 14.047 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.789 -31.584 14.728 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.414 -30.496 14.729 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.670 -31.939 16.478 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.780 -32.923 16.520 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.651 -32.523 18.484 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.060 -30.914 19.090 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.601 -30.966 12.003 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.489 -30.359 10.674 1.00 0.00 C ATOM 1034 C PRO A 73 0.711 -29.424 10.562 1.00 0.00 C ATOM 1035 O PRO A 73 0.866 -28.498 11.360 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.794 -29.572 10.532 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.212 -29.277 11.931 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.756 -30.449 12.755 1.00 0.00 C ATOM 0 HA PRO A 73 -0.339 -31.108 9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.643 -28.655 9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.552 -30.153 10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.760 -28.351 12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.293 -29.150 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.476 -30.146 13.764 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.540 -31.200 12.854 1.00 0.00 H new ATOM 1046 N LEU A 74 1.558 -29.672 9.569 1.00 0.00 N ATOM 1047 CA LEU A 74 2.745 -28.851 9.353 1.00 0.00 C ATOM 1048 C LEU A 74 2.402 -27.597 8.555 1.00 0.00 C ATOM 1049 O LEU A 74 1.449 -27.587 7.776 1.00 0.00 O ATOM 1050 CB LEU A 74 3.819 -29.657 8.621 1.00 0.00 C ATOM 1051 CG LEU A 74 4.613 -30.648 9.474 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.663 -31.356 8.632 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.261 -29.937 10.653 1.00 0.00 C ATOM 0 H LEU A 74 1.445 -30.434 8.901 1.00 0.00 H new ATOM 0 HA LEU A 74 3.128 -28.546 10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.342 -30.207 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.520 -28.959 8.164 1.00 0.00 H new ATOM 0 HG LEU A 74 3.924 -31.398 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.218 -32.057 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.175 -31.899 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.350 -30.621 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.822 -30.657 11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.937 -29.165 10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.489 -29.478 11.270 1.00 0.00 H new ATOM 1065 N GLU A 75 3.186 -26.543 8.754 1.00 0.00 N ATOM 1066 CA GLU A 75 2.966 -25.284 8.052 1.00 0.00 C ATOM 1067 C GLU A 75 4.291 -24.598 7.735 1.00 0.00 C ATOM 1068 O GLU A 75 5.126 -24.396 8.618 1.00 0.00 O ATOM 1069 CB GLU A 75 2.085 -24.354 8.889 1.00 0.00 C ATOM 1070 CG GLU A 75 1.026 -25.084 9.698 1.00 0.00 C ATOM 1071 CD GLU A 75 -0.130 -24.185 10.092 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.130 -23.006 9.681 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -1.033 -24.660 10.811 1.00 0.00 O ATOM 0 H GLU A 75 3.979 -26.536 9.395 1.00 0.00 H new ATOM 0 HA GLU A 75 2.458 -25.506 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.717 -23.781 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.596 -23.638 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.646 -25.925 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.482 -25.498 10.597 1.00 0.00 H new ATOM 1080 N VAL A 76 4.479 -24.242 6.468 1.00 0.00 N ATOM 1081 CA VAL A 76 5.702 -23.579 6.033 1.00 0.00 C ATOM 1082 C VAL A 76 5.392 -22.391 5.130 1.00 0.00 C ATOM 1083 O VAL A 76 4.513 -22.463 4.271 1.00 0.00 O ATOM 1084 CB VAL A 76 6.632 -24.551 5.283 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.045 -23.992 5.214 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.622 -25.918 5.950 1.00 0.00 C ATOM 0 H VAL A 76 3.799 -24.402 5.725 1.00 0.00 H new ATOM 0 HA VAL A 76 6.207 -23.226 6.932 1.00 0.00 H new ATOM 0 HB VAL A 76 6.263 -24.667 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.688 -24.692 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.033 -23.037 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.428 -23.845 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.284 -26.592 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.966 -25.823 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.609 -26.320 5.941 1.00 0.00 H new ATOM 1096 N VAL A 77 6.120 -21.296 5.329 1.00 0.00 N ATOM 1097 CA VAL A 77 5.923 -20.092 4.532 1.00 0.00 C ATOM 1098 C VAL A 77 7.256 -19.429 4.200 1.00 0.00 C ATOM 1099 O VAL A 77 8.302 -19.819 4.720 1.00 0.00 O ATOM 1100 CB VAL A 77 5.025 -19.075 5.262 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.697 -19.712 5.641 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.732 -18.526 6.491 1.00 0.00 C ATOM 0 H VAL A 77 6.851 -21.219 6.036 1.00 0.00 H new ATOM 0 HA VAL A 77 5.433 -20.401 3.609 1.00 0.00 H new ATOM 0 HB VAL A 77 4.823 -18.244 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.076 -18.979 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.186 -20.052 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.876 -20.562 6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.083 -17.809 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.966 -19.344 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.655 -18.030 6.189 1.00 0.00 H new ATOM 1112 N TYR A 78 7.211 -18.425 3.332 1.00 0.00 N ATOM 1113 CA TYR A 78 8.415 -17.708 2.929 1.00 0.00 C ATOM 1114 C TYR A 78 8.949 -16.854 4.074 1.00 0.00 C ATOM 1115 O TYR A 78 8.441 -15.765 4.340 1.00 0.00 O ATOM 1116 CB TYR A 78 8.127 -16.828 1.712 1.00 0.00 C ATOM 1117 CG TYR A 78 8.776 -17.322 0.439 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.154 -17.486 0.357 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.013 -17.625 -0.682 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.752 -17.936 -0.804 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.602 -18.077 -1.846 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.972 -18.231 -1.902 1.00 0.00 C ATOM 1123 OH TYR A 78 10.563 -18.680 -3.061 1.00 0.00 O ATOM 0 H TYR A 78 6.354 -18.089 2.894 1.00 0.00 H new ATOM 0 HA TYR A 78 9.174 -18.444 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.049 -16.772 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.473 -15.815 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.768 -17.258 1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.940 -17.505 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.824 -18.056 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.994 -18.309 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 78 11.380 -19.174 -2.841 1.00 0.00 H new ATOM 1133 N SER A 79 9.979 -17.356 4.748 1.00 0.00 N ATOM 1134 CA SER A 79 10.582 -16.641 5.867 1.00 0.00 C ATOM 1135 C SER A 79 11.113 -15.282 5.421 1.00 0.00 C ATOM 1136 O SER A 79 11.894 -15.188 4.473 1.00 0.00 O ATOM 1137 CB SER A 79 11.715 -17.469 6.477 1.00 0.00 C ATOM 1138 OG SER A 79 12.340 -16.771 7.541 1.00 0.00 O ATOM 0 H SER A 79 10.413 -18.255 4.539 1.00 0.00 H new ATOM 0 HA SER A 79 9.812 -16.481 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.321 -18.418 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.452 -17.704 5.709 1.00 0.00 H new ATOM 0 HG SER A 79 13.059 -17.321 7.915 1.00 0.00 H new ATOM 1144 N LYS A 80 10.684 -14.231 6.110 1.00 0.00 N ATOM 1145 CA LYS A 80 11.115 -12.876 5.788 1.00 0.00 C ATOM 1146 C LYS A 80 12.633 -12.753 5.874 1.00 0.00 C ATOM 1147 O LYS A 80 13.221 -12.941 6.939 1.00 0.00 O ATOM 1148 CB LYS A 80 10.457 -11.870 6.736 1.00 0.00 C ATOM 1149 CG LYS A 80 9.018 -11.546 6.374 1.00 0.00 C ATOM 1150 CD LYS A 80 8.569 -10.235 6.997 1.00 0.00 C ATOM 1151 CE LYS A 80 8.085 -10.433 8.426 1.00 0.00 C ATOM 1152 NZ LYS A 80 7.398 -9.222 8.952 1.00 0.00 N ATOM 0 H LYS A 80 10.037 -14.291 6.896 1.00 0.00 H new ATOM 0 HA LYS A 80 10.807 -12.657 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.487 -12.266 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.039 -10.949 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.919 -11.488 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.366 -12.352 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.395 -9.524 6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.769 -9.801 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.403 -11.283 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.933 -10.676 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.084 -9.398 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.056 -8.417 8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.574 -9.004 8.356 1.00 0.00 H new TER 1166 LYS A 80