USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 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 67 TYR OH : rot -18:sc= 0.831 USER MOD Set 1.2: A 103 CYS SG : rot -62:sc= -1.11! USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0798 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -47:sc= 0.00133 USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.0821 (180deg=-1.22) USER MOD Single : A 18 THR OG1 : rot -52:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00853 USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= 1.23 (180deg=-0.0882) USER MOD Single : A 27 GLN :FLIP amide:sc= 0.972 F(o=-0.0052,f=0.97) USER MOD Single : A 32 MET CE :methyl 166:sc= -0.0323 (180deg=-0.449) USER MOD Single : A 33 ASN : amide:sc= -0.708 K(o=-0.71,f=-5.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 175:sc= -0.0763 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -10.1! C(o=-14!,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= -0.0668 (180deg=-1.71) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 59 THR OG1 : rot -31:sc= 0.0508 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= 0.571 (180deg=-1.03!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 32:sc= 0.089 USER MOD Single : A 74 ASN : amide:sc= -0.569 K(o=-0.57,f=-5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.8) USER MOD Single : A 94 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.5) USER MOD Single : A 95 TYR OH : rot 168:sc= -0.0808 USER MOD Single : A 96 SER OG : rot 76:sc= 0.606 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= -0.586 (180deg=-1.64) USER MOD Single : A 104 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 110 CYS SG : rot 180:sc= 0.0299 USER MOD Single : A 112 ASN : amide:sc= -0.845 K(o=-0.84,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.666 2.860 -39.838 1.00 0.00 N ATOM 2 CA GLY A 1 1.338 3.237 -39.373 1.00 0.00 C ATOM 3 C GLY A 1 1.260 4.728 -39.082 1.00 0.00 C ATOM 4 O GLY A 1 2.273 5.409 -38.996 1.00 0.00 O ATOM 0 H1 GLY A 1 2.613 2.559 -40.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.307 3.675 -39.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.028 2.076 -39.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.597 2.972 -40.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.092 2.675 -38.472 1.00 0.00 H new ATOM 10 N SER A 2 -0.003 5.181 -38.958 1.00 0.00 N ATOM 11 CA SER A 2 -0.281 6.576 -38.649 1.00 0.00 C ATOM 12 C SER A 2 0.195 6.884 -37.223 1.00 0.00 C ATOM 13 O SER A 2 0.502 5.996 -36.435 1.00 0.00 O ATOM 14 CB SER A 2 -1.819 6.771 -38.707 1.00 0.00 C ATOM 15 OG SER A 2 -2.676 5.802 -37.979 1.00 0.00 O ATOM 0 H SER A 2 -0.833 4.598 -39.068 1.00 0.00 H new ATOM 0 HA SER A 2 0.228 7.232 -39.355 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.043 7.767 -38.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.117 6.757 -39.755 1.00 0.00 H new ATOM 0 HG SER A 2 -3.618 6.044 -38.099 1.00 0.00 H new ATOM 21 N VAL A 3 0.227 8.198 -36.954 1.00 0.00 N ATOM 22 CA VAL A 3 0.661 8.699 -35.657 1.00 0.00 C ATOM 23 C VAL A 3 -0.491 8.642 -34.638 1.00 0.00 C ATOM 24 O VAL A 3 -1.100 9.647 -34.293 1.00 0.00 O ATOM 25 CB VAL A 3 1.171 10.138 -35.844 1.00 0.00 C ATOM 26 CG1 VAL A 3 2.428 10.165 -36.724 1.00 0.00 C ATOM 27 CG2 VAL A 3 0.083 11.087 -36.398 1.00 0.00 C ATOM 0 H VAL A 3 -0.042 8.923 -37.619 1.00 0.00 H new ATOM 0 HA VAL A 3 1.464 8.076 -35.264 1.00 0.00 H new ATOM 0 HB VAL A 3 1.435 10.510 -34.854 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.768 11.194 -36.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.214 9.574 -36.254 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.196 9.746 -37.703 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.497 12.089 -36.510 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.257 10.724 -37.368 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.759 11.118 -35.707 1.00 0.00 H new ATOM 37 N ALA A 4 -0.744 7.403 -34.175 1.00 0.00 N ATOM 38 CA ALA A 4 -1.815 7.220 -33.207 1.00 0.00 C ATOM 39 C ALA A 4 -1.721 5.803 -32.604 1.00 0.00 C ATOM 40 O ALA A 4 -2.504 4.925 -32.947 1.00 0.00 O ATOM 41 CB ALA A 4 -3.190 7.467 -33.862 1.00 0.00 C ATOM 0 H ALA A 4 -0.242 6.557 -34.446 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.707 7.948 -32.403 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.977 7.325 -33.121 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.232 8.486 -34.246 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.334 6.764 -34.683 1.00 0.00 H new ATOM 47 N PRO A 5 -0.722 5.600 -31.691 1.00 0.00 N ATOM 48 CA PRO A 5 -0.540 4.311 -31.025 1.00 0.00 C ATOM 49 C PRO A 5 -1.788 3.896 -30.229 1.00 0.00 C ATOM 50 O PRO A 5 -2.592 4.722 -29.815 1.00 0.00 O ATOM 51 CB PRO A 5 0.674 4.470 -30.097 1.00 0.00 C ATOM 52 CG PRO A 5 1.168 5.912 -30.256 1.00 0.00 C ATOM 53 CD PRO A 5 0.265 6.600 -31.285 1.00 0.00 C ATOM 0 HA PRO A 5 -0.379 3.522 -31.760 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.398 4.268 -29.062 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.459 3.761 -30.362 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.130 6.437 -29.302 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.206 5.927 -30.587 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.221 7.475 -30.854 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.844 6.947 -32.141 1.00 0.00 H new ATOM 61 N VAL A 6 -1.902 2.566 -30.081 1.00 0.00 N ATOM 62 CA VAL A 6 -3.025 1.989 -29.357 1.00 0.00 C ATOM 63 C VAL A 6 -2.506 0.817 -28.534 1.00 0.00 C ATOM 64 O VAL A 6 -1.756 -0.013 -29.034 1.00 0.00 O ATOM 65 CB VAL A 6 -4.094 1.497 -30.349 1.00 0.00 C ATOM 66 CG1 VAL A 6 -3.582 0.371 -31.268 1.00 0.00 C ATOM 67 CG2 VAL A 6 -5.369 1.055 -29.608 1.00 0.00 C ATOM 0 H VAL A 6 -1.237 1.887 -30.450 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.477 2.738 -28.706 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.335 2.344 -30.991 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.378 0.064 -31.946 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.732 0.732 -31.847 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.273 -0.481 -30.662 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.109 0.712 -30.331 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.128 0.243 -28.922 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.774 1.897 -29.046 1.00 0.00 H new ATOM 77 N GLU A 7 -2.951 0.814 -27.259 1.00 0.00 N ATOM 78 CA GLU A 7 -2.595 -0.228 -26.302 1.00 0.00 C ATOM 79 C GLU A 7 -1.199 -0.007 -25.712 1.00 0.00 C ATOM 80 O GLU A 7 -1.038 0.136 -24.510 1.00 0.00 O ATOM 81 CB GLU A 7 -2.747 -1.631 -26.916 1.00 0.00 C ATOM 82 CG GLU A 7 -3.105 -2.696 -25.877 1.00 0.00 C ATOM 83 CD GLU A 7 -3.388 -4.027 -26.589 1.00 0.00 C ATOM 84 OE1 GLU A 7 -4.398 -4.112 -27.285 1.00 0.00 O ATOM 85 OE2 GLU A 7 -2.596 -4.958 -26.447 1.00 0.00 O ATOM 0 H GLU A 7 -3.563 1.535 -26.876 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.299 -0.162 -25.473 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.520 -1.605 -27.684 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.816 -1.910 -27.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.287 -2.817 -25.167 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.979 -2.383 -25.306 1.00 0.00 H new ATOM 92 N THR A 8 -0.220 0.012 -26.648 1.00 0.00 N ATOM 93 CA THR A 8 1.208 0.210 -26.411 1.00 0.00 C ATOM 94 C THR A 8 1.709 -0.550 -25.171 1.00 0.00 C ATOM 95 O THR A 8 2.481 -0.031 -24.375 1.00 0.00 O ATOM 96 CB THR A 8 1.519 1.758 -26.329 1.00 0.00 C ATOM 97 OG1 THR A 8 2.886 2.305 -26.255 1.00 0.00 O ATOM 98 CG2 THR A 8 0.769 2.364 -25.123 1.00 0.00 C ATOM 0 H THR A 8 -0.429 -0.118 -27.638 1.00 0.00 H new ATOM 0 HA THR A 8 1.758 -0.212 -27.252 1.00 0.00 H new ATOM 0 HB THR A 8 1.203 2.036 -27.334 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.402 1.807 -25.587 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.980 3.432 -25.062 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.303 2.213 -25.248 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.100 1.876 -24.206 1.00 0.00 H new ATOM 106 N LEU A 9 1.203 -1.804 -25.076 1.00 0.00 N ATOM 107 CA LEU A 9 1.517 -2.688 -23.960 1.00 0.00 C ATOM 108 C LEU A 9 0.773 -2.198 -22.703 1.00 0.00 C ATOM 109 O LEU A 9 0.576 -1.005 -22.504 1.00 0.00 O ATOM 110 CB LEU A 9 3.041 -2.751 -23.723 1.00 0.00 C ATOM 111 CG LEU A 9 3.517 -4.004 -22.978 1.00 0.00 C ATOM 112 CD1 LEU A 9 3.151 -5.279 -23.753 1.00 0.00 C ATOM 113 CD2 LEU A 9 5.030 -3.905 -22.727 1.00 0.00 C ATOM 0 H LEU A 9 0.575 -2.214 -25.768 1.00 0.00 H new ATOM 0 HA LEU A 9 1.186 -3.700 -24.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.548 -2.702 -24.687 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.345 -1.870 -23.158 1.00 0.00 H new ATOM 0 HG LEU A 9 3.010 -4.064 -22.015 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.500 -6.152 -23.202 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.069 -5.334 -23.873 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.624 -5.256 -24.735 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.370 -4.795 -22.197 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.553 -3.828 -23.680 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.242 -3.021 -22.125 1.00 0.00 H new ATOM 125 N GLU A 10 0.377 -3.181 -21.862 1.00 0.00 N ATOM 126 CA GLU A 10 -0.307 -2.825 -20.618 1.00 0.00 C ATOM 127 C GLU A 10 0.763 -2.254 -19.651 1.00 0.00 C ATOM 128 O GLU A 10 1.658 -1.541 -20.083 1.00 0.00 O ATOM 129 CB GLU A 10 -1.030 -4.068 -20.060 1.00 0.00 C ATOM 130 CG GLU A 10 -2.256 -3.688 -19.201 1.00 0.00 C ATOM 131 CD GLU A 10 -3.549 -3.516 -20.028 1.00 0.00 C ATOM 132 OE1 GLU A 10 -3.471 -3.373 -21.250 1.00 0.00 O ATOM 133 OE2 GLU A 10 -4.628 -3.535 -19.434 1.00 0.00 O ATOM 0 H GLU A 10 0.515 -4.179 -22.018 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.074 -2.066 -20.769 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.349 -4.703 -20.886 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.334 -4.653 -19.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.415 -4.458 -18.446 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.046 -2.760 -18.670 1.00 0.00 H new ATOM 140 N VAL A 11 0.649 -2.593 -18.342 1.00 0.00 N ATOM 141 CA VAL A 11 1.603 -2.174 -17.303 1.00 0.00 C ATOM 142 C VAL A 11 2.046 -0.701 -17.429 1.00 0.00 C ATOM 143 O VAL A 11 3.198 -0.350 -17.188 1.00 0.00 O ATOM 144 CB VAL A 11 2.846 -3.089 -17.330 1.00 0.00 C ATOM 145 CG1 VAL A 11 2.482 -4.550 -17.048 1.00 0.00 C ATOM 146 CG2 VAL A 11 3.629 -2.979 -18.653 1.00 0.00 C ATOM 0 H VAL A 11 -0.114 -3.168 -17.984 1.00 0.00 H new ATOM 0 HA VAL A 11 1.079 -2.265 -16.352 1.00 0.00 H new ATOM 0 HB VAL A 11 3.497 -2.736 -16.530 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.384 -5.162 -17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.022 -4.627 -16.063 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.781 -4.903 -17.804 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.493 -3.642 -18.620 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.983 -3.265 -19.483 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.965 -1.952 -18.793 1.00 0.00 H new ATOM 156 N GLU A 12 1.036 0.117 -17.765 1.00 0.00 N ATOM 157 CA GLU A 12 1.194 1.544 -18.008 1.00 0.00 C ATOM 158 C GLU A 12 1.269 2.319 -16.698 1.00 0.00 C ATOM 159 O GLU A 12 0.376 3.058 -16.302 1.00 0.00 O ATOM 160 CB GLU A 12 0.032 2.077 -18.861 1.00 0.00 C ATOM 161 CG GLU A 12 -0.051 1.453 -20.265 1.00 0.00 C ATOM 162 CD GLU A 12 -1.315 1.916 -21.024 1.00 0.00 C ATOM 163 OE1 GLU A 12 -1.718 3.071 -20.869 1.00 0.00 O ATOM 164 OE2 GLU A 12 -1.889 1.111 -21.760 1.00 0.00 O ATOM 0 H GLU A 12 0.075 -0.208 -17.875 1.00 0.00 H new ATOM 0 HA GLU A 12 2.129 1.687 -18.549 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.905 1.892 -18.336 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.134 3.158 -18.960 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.836 1.725 -20.837 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.055 0.366 -20.180 1.00 0.00 H new ATOM 171 N LYS A 13 2.431 2.074 -16.070 1.00 0.00 N ATOM 172 CA LYS A 13 2.789 2.709 -14.832 1.00 0.00 C ATOM 173 C LYS A 13 1.801 2.445 -13.729 1.00 0.00 C ATOM 174 O LYS A 13 1.466 3.331 -12.943 1.00 0.00 O ATOM 175 CB LYS A 13 3.001 4.163 -15.024 1.00 0.00 C ATOM 176 CG LYS A 13 4.289 4.480 -15.716 1.00 0.00 C ATOM 177 CD LYS A 13 5.523 3.682 -15.395 1.00 0.00 C ATOM 178 CE LYS A 13 6.809 4.380 -15.856 1.00 0.00 C ATOM 179 NZ LYS A 13 6.991 4.367 -17.305 1.00 0.00 N ATOM 0 H LYS A 13 3.136 1.426 -16.423 1.00 0.00 H new ATOM 0 HA LYS A 13 3.730 2.260 -14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.173 4.572 -15.604 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.985 4.658 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.113 4.391 -16.788 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.517 5.527 -15.516 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.572 3.511 -14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.453 2.704 -15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.797 5.413 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.665 3.895 -15.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.492 5.229 -17.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.549 3.533 -17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.062 4.330 -17.771 1.00 0.00 H new ATOM 193 N TRP A 14 1.319 1.208 -13.695 1.00 0.00 N ATOM 194 CA TRP A 14 0.411 0.906 -12.591 1.00 0.00 C ATOM 195 C TRP A 14 0.658 -0.544 -12.187 1.00 0.00 C ATOM 196 O TRP A 14 1.012 -0.808 -11.047 1.00 0.00 O ATOM 197 CB TRP A 14 -1.053 1.318 -12.891 1.00 0.00 C ATOM 198 CG TRP A 14 -2.009 0.322 -13.526 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.610 0.394 -14.789 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.624 -0.776 -12.875 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.549 -0.593 -14.906 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.598 -1.344 -13.730 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.411 -1.282 -11.626 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.335 -2.411 -13.264 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.140 -2.356 -11.189 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.095 -2.915 -12.008 1.00 0.00 C ATOM 0 H TRP A 14 1.516 0.455 -14.354 1.00 0.00 H new ATOM 0 HA TRP A 14 0.617 1.519 -11.714 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.498 1.639 -11.950 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.017 2.192 -13.541 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.369 1.118 -15.553 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.128 -0.756 -15.730 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.668 -0.836 -10.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.101 -2.851 -13.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.966 -2.763 -10.204 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.665 -3.763 -11.658 1.00 0.00 H new ATOM 217 N PHE A 15 0.487 -1.449 -13.181 1.00 0.00 N ATOM 218 CA PHE A 15 0.731 -2.866 -12.927 1.00 0.00 C ATOM 219 C PHE A 15 2.216 -3.203 -13.190 1.00 0.00 C ATOM 220 O PHE A 15 2.589 -3.639 -14.270 1.00 0.00 O ATOM 221 CB PHE A 15 -0.213 -3.766 -13.751 1.00 0.00 C ATOM 222 CG PHE A 15 -0.151 -5.216 -13.334 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.180 -5.579 -11.986 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.057 -6.214 -14.303 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.099 -6.922 -11.634 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.015 -7.553 -13.946 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.007 -7.908 -12.608 1.00 0.00 C ATOM 0 H PHE A 15 0.191 -1.222 -14.130 1.00 0.00 H new ATOM 0 HA PHE A 15 0.514 -3.068 -11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.236 -3.405 -13.644 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.045 -3.685 -14.807 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.265 -4.821 -11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.040 -5.941 -15.348 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.108 -7.202 -10.591 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.088 -8.315 -14.708 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.047 -8.948 -12.323 1.00 0.00 H new ATOM 237 N PHE A 16 3.030 -2.991 -12.140 1.00 0.00 N ATOM 238 CA PHE A 16 4.477 -3.241 -12.218 1.00 0.00 C ATOM 239 C PHE A 16 4.787 -4.618 -11.594 1.00 0.00 C ATOM 240 O PHE A 16 3.968 -5.214 -10.908 1.00 0.00 O ATOM 241 CB PHE A 16 5.216 -2.096 -11.477 1.00 0.00 C ATOM 242 CG PHE A 16 5.793 -1.040 -12.398 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.118 -0.601 -13.536 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.045 -0.495 -12.123 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.688 0.328 -14.396 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.626 0.423 -12.996 1.00 0.00 C ATOM 247 CZ PHE A 16 6.945 0.838 -14.131 1.00 0.00 C ATOM 0 H PHE A 16 2.711 -2.649 -11.233 1.00 0.00 H new ATOM 0 HA PHE A 16 4.817 -3.259 -13.254 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.524 -1.620 -10.783 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.022 -2.523 -10.880 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.134 -0.990 -13.752 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.570 -0.786 -11.225 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.148 0.653 -15.273 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.611 0.813 -12.788 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.394 1.555 -14.803 1.00 0.00 H new ATOM 257 N ARG A 17 6.044 -5.049 -11.845 1.00 0.00 N ATOM 258 CA ARG A 17 6.540 -6.348 -11.364 1.00 0.00 C ATOM 259 C ARG A 17 6.981 -6.220 -9.883 1.00 0.00 C ATOM 260 O ARG A 17 6.359 -5.487 -9.124 1.00 0.00 O ATOM 261 CB ARG A 17 7.704 -6.765 -12.303 1.00 0.00 C ATOM 262 CG ARG A 17 7.214 -7.592 -13.492 1.00 0.00 C ATOM 263 CD ARG A 17 8.379 -8.130 -14.335 1.00 0.00 C ATOM 264 NE ARG A 17 7.921 -9.159 -15.270 1.00 0.00 N ATOM 265 CZ ARG A 17 7.258 -8.872 -16.409 1.00 0.00 C ATOM 266 NH1 ARG A 17 6.993 -7.616 -16.740 1.00 0.00 N ATOM 267 NH2 ARG A 17 6.861 -9.857 -17.205 1.00 0.00 N ATOM 0 H ARG A 17 6.729 -4.513 -12.378 1.00 0.00 H new ATOM 0 HA ARG A 17 5.769 -7.118 -11.390 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.213 -5.873 -12.667 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.437 -7.341 -11.738 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.612 -8.426 -13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.566 -6.979 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.841 -7.312 -14.887 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.145 -8.544 -13.680 1.00 0.00 H new ATOM 0 HE ARG A 17 8.112 -10.137 -15.050 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.291 -6.854 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.491 -7.411 -17.604 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.058 -10.826 -16.954 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.359 -9.645 -18.067 1.00 0.00 H new ATOM 281 N THR A 18 8.026 -6.982 -9.504 1.00 0.00 N ATOM 282 CA THR A 18 8.564 -6.965 -8.161 1.00 0.00 C ATOM 283 C THR A 18 9.729 -5.973 -8.139 1.00 0.00 C ATOM 284 O THR A 18 10.900 -6.309 -7.972 1.00 0.00 O ATOM 285 CB THR A 18 9.041 -8.339 -7.627 1.00 0.00 C ATOM 286 OG1 THR A 18 10.141 -8.345 -6.665 1.00 0.00 O ATOM 287 CG2 THR A 18 9.074 -9.433 -8.740 1.00 0.00 C ATOM 0 H THR A 18 8.510 -7.622 -10.134 1.00 0.00 H new ATOM 0 HA THR A 18 7.750 -6.673 -7.497 1.00 0.00 H new ATOM 0 HB THR A 18 8.247 -8.649 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.894 -7.832 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.415 -10.376 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.074 -9.562 -9.153 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.757 -9.126 -9.532 1.00 0.00 H new ATOM 295 N ILE A 19 9.329 -4.704 -8.388 1.00 0.00 N ATOM 296 CA ILE A 19 10.342 -3.667 -8.314 1.00 0.00 C ATOM 297 C ILE A 19 10.657 -3.516 -6.842 1.00 0.00 C ATOM 298 O ILE A 19 9.831 -3.838 -5.993 1.00 0.00 O ATOM 299 CB ILE A 19 9.864 -2.328 -8.894 1.00 0.00 C ATOM 300 CG1 ILE A 19 11.037 -1.541 -9.462 1.00 0.00 C ATOM 301 CG2 ILE A 19 9.010 -1.460 -7.958 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.589 -0.213 -10.078 1.00 0.00 C ATOM 0 H ILE A 19 8.383 -4.403 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 19 11.213 -3.947 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 19 9.178 -2.602 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.762 -1.348 -8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.543 -2.140 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.729 -0.540 -8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.111 -2.007 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.584 -1.216 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.457 0.317 -10.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.885 -0.406 -10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.106 0.398 -9.315 1.00 0.00 H new ATOM 314 N SER A 20 11.890 -3.060 -6.562 1.00 0.00 N ATOM 315 CA SER A 20 12.142 -2.924 -5.135 1.00 0.00 C ATOM 316 C SER A 20 11.199 -1.862 -4.542 1.00 0.00 C ATOM 317 O SER A 20 10.672 -0.993 -5.218 1.00 0.00 O ATOM 318 CB SER A 20 13.605 -2.509 -4.799 1.00 0.00 C ATOM 319 OG SER A 20 14.011 -2.298 -3.379 1.00 0.00 O ATOM 0 H SER A 20 12.635 -2.810 -7.213 1.00 0.00 H new ATOM 0 HA SER A 20 11.967 -3.909 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.263 -3.273 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.811 -1.584 -5.337 1.00 0.00 H new ATOM 0 HG SER A 20 14.957 -2.045 -3.343 1.00 0.00 H new ATOM 325 N ARG A 21 11.116 -1.946 -3.215 1.00 0.00 N ATOM 326 CA ARG A 21 10.277 -1.026 -2.466 1.00 0.00 C ATOM 327 C ARG A 21 10.737 0.418 -2.695 1.00 0.00 C ATOM 328 O ARG A 21 9.969 1.284 -3.082 1.00 0.00 O ATOM 329 CB ARG A 21 10.273 -1.380 -0.982 1.00 0.00 C ATOM 330 CG ARG A 21 9.098 -0.707 -0.253 1.00 0.00 C ATOM 331 CD ARG A 21 8.802 -1.363 1.098 1.00 0.00 C ATOM 332 NE ARG A 21 7.571 -2.149 1.019 1.00 0.00 N ATOM 333 CZ ARG A 21 7.210 -3.001 1.999 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.993 -3.182 3.056 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.059 -3.656 1.918 1.00 0.00 N ATOM 0 H ARG A 21 11.613 -2.633 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 21 9.252 -1.116 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.206 -2.462 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.213 -1.067 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.324 0.348 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.208 -0.755 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.634 -2.005 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.705 -0.598 1.868 1.00 0.00 H new ATOM 0 HE ARG A 21 6.970 -2.050 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.875 -2.674 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.713 -3.829 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.447 -3.515 1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.786 -4.301 2.660 1.00 0.00 H new ATOM 349 N LYS A 22 12.054 0.604 -2.442 1.00 0.00 N ATOM 350 CA LYS A 22 12.628 1.939 -2.636 1.00 0.00 C ATOM 351 C LYS A 22 12.542 2.430 -4.065 1.00 0.00 C ATOM 352 O LYS A 22 12.638 3.622 -4.311 1.00 0.00 O ATOM 353 CB LYS A 22 14.052 2.093 -2.102 1.00 0.00 C ATOM 354 CG LYS A 22 15.052 1.123 -2.696 1.00 0.00 C ATOM 355 CD LYS A 22 15.428 1.297 -4.151 1.00 0.00 C ATOM 356 CE LYS A 22 16.905 0.947 -4.406 1.00 0.00 C ATOM 357 NZ LYS A 22 17.164 0.594 -5.796 1.00 0.00 N ATOM 0 H LYS A 22 12.702 -0.115 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 22 11.991 2.579 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.392 3.110 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.037 1.963 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.966 1.181 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.655 0.115 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.792 0.663 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.241 2.327 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.529 1.796 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.194 0.115 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.488 -0.393 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.291 0.702 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.899 1.221 -6.182 1.00 0.00 H new ATOM 371 N ASP A 23 12.338 1.451 -4.976 1.00 0.00 N ATOM 372 CA ASP A 23 12.307 1.790 -6.373 1.00 0.00 C ATOM 373 C ASP A 23 10.981 2.434 -6.755 1.00 0.00 C ATOM 374 O ASP A 23 10.898 3.573 -7.172 1.00 0.00 O ATOM 375 CB ASP A 23 12.566 0.596 -7.324 1.00 0.00 C ATOM 376 CG ASP A 23 14.058 0.266 -7.489 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.890 1.162 -7.347 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.375 -0.887 -7.772 1.00 0.00 O ATOM 0 H ASP A 23 12.200 0.464 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 23 13.129 2.494 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.046 -0.283 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.140 0.820 -8.302 1.00 0.00 H new ATOM 383 N ALA A 24 9.938 1.625 -6.572 1.00 0.00 N ATOM 384 CA ALA A 24 8.582 2.075 -6.875 1.00 0.00 C ATOM 385 C ALA A 24 8.292 3.441 -6.215 1.00 0.00 C ATOM 386 O ALA A 24 7.665 4.309 -6.807 1.00 0.00 O ATOM 387 CB ALA A 24 7.607 0.986 -6.439 1.00 0.00 C ATOM 0 H ALA A 24 10.004 0.670 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 24 8.464 2.235 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.587 1.302 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.824 0.065 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.712 0.811 -5.368 1.00 0.00 H new ATOM 393 N GLU A 25 8.820 3.558 -4.977 1.00 0.00 N ATOM 394 CA GLU A 25 8.703 4.765 -4.174 1.00 0.00 C ATOM 395 C GLU A 25 9.462 5.944 -4.826 1.00 0.00 C ATOM 396 O GLU A 25 8.987 7.066 -4.832 1.00 0.00 O ATOM 397 CB GLU A 25 9.229 4.527 -2.757 1.00 0.00 C ATOM 398 CG GLU A 25 8.323 3.624 -1.896 1.00 0.00 C ATOM 399 CD GLU A 25 8.768 3.602 -0.419 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.962 3.732 -0.147 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.908 3.462 0.449 1.00 0.00 O ATOM 0 H GLU A 25 9.338 2.809 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 25 7.645 5.023 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.220 4.077 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.346 5.489 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.294 3.977 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.338 2.610 -2.295 1.00 0.00 H new ATOM 408 N ARG A 26 10.639 5.634 -5.424 1.00 0.00 N ATOM 409 CA ARG A 26 11.483 6.669 -6.013 1.00 0.00 C ATOM 410 C ARG A 26 10.785 7.319 -7.243 1.00 0.00 C ATOM 411 O ARG A 26 10.964 8.497 -7.522 1.00 0.00 O ATOM 412 CB ARG A 26 12.830 6.074 -6.509 1.00 0.00 C ATOM 413 CG ARG A 26 12.907 5.452 -7.920 1.00 0.00 C ATOM 414 CD ARG A 26 13.919 4.315 -8.050 1.00 0.00 C ATOM 415 NE ARG A 26 15.073 4.740 -8.842 1.00 0.00 N ATOM 416 CZ ARG A 26 16.052 5.537 -8.344 1.00 0.00 C ATOM 417 NH1 ARG A 26 16.039 5.942 -7.079 1.00 0.00 N ATOM 418 NH2 ARG A 26 17.046 5.935 -9.131 1.00 0.00 N ATOM 0 H ARG A 26 11.009 4.687 -5.504 1.00 0.00 H new ATOM 0 HA ARG A 26 11.659 7.412 -5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.576 6.867 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.132 5.307 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.920 5.078 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.162 6.234 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.247 3.998 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.446 3.452 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 26 15.145 4.424 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.282 5.654 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.786 6.541 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.072 5.641 -10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.783 6.534 -8.759 1.00 0.00 H new ATOM 432 N GLN A 27 9.966 6.469 -7.888 1.00 0.00 N ATOM 433 CA GLN A 27 9.266 6.915 -9.089 1.00 0.00 C ATOM 434 C GLN A 27 8.086 7.828 -8.758 1.00 0.00 C ATOM 435 O GLN A 27 7.857 8.858 -9.384 1.00 0.00 O ATOM 436 CB GLN A 27 8.727 5.714 -9.886 1.00 0.00 C ATOM 437 CG GLN A 27 9.790 4.653 -10.184 1.00 0.00 C ATOM 438 CD GLN A 27 9.321 3.686 -11.280 1.00 0.00 C ATOM 439 OE1 GLN A 27 9.965 3.852 -12.444 1.00 0.00 O flip ATOM 440 NE2 GLN A 27 8.445 2.856 -11.079 1.00 0.00 N flip ATOM 0 H GLN A 27 9.781 5.506 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 27 9.995 7.469 -9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.912 5.254 -9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.307 6.071 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.714 5.139 -10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.014 4.095 -9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.003 2.793 -10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.157 2.227 -11.828 1.00 0.00 H new ATOM 449 N LEU A 28 7.334 7.338 -7.753 1.00 0.00 N ATOM 450 CA LEU A 28 6.164 8.068 -7.299 1.00 0.00 C ATOM 451 C LEU A 28 6.542 9.468 -6.769 1.00 0.00 C ATOM 452 O LEU A 28 5.924 10.472 -7.105 1.00 0.00 O ATOM 453 CB LEU A 28 5.442 7.216 -6.247 1.00 0.00 C ATOM 454 CG LEU A 28 4.995 5.894 -6.860 1.00 0.00 C ATOM 455 CD1 LEU A 28 5.069 4.758 -5.845 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.578 6.084 -7.385 1.00 0.00 C ATOM 0 H LEU A 28 7.519 6.464 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 28 5.487 8.245 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.105 7.028 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.578 7.757 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 28 5.660 5.615 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.744 3.829 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.096 4.648 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.420 4.984 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.228 5.153 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.919 6.362 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.572 6.872 -8.138 1.00 0.00 H new ATOM 468 N LEU A 29 7.607 9.455 -5.932 1.00 0.00 N ATOM 469 CA LEU A 29 8.148 10.648 -5.296 1.00 0.00 C ATOM 470 C LEU A 29 8.850 11.591 -6.290 1.00 0.00 C ATOM 471 O LEU A 29 9.302 12.656 -5.893 1.00 0.00 O ATOM 472 CB LEU A 29 9.176 10.225 -4.243 1.00 0.00 C ATOM 473 CG LEU A 29 8.573 9.376 -3.122 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.679 8.605 -2.400 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.726 10.219 -2.160 1.00 0.00 C ATOM 0 H LEU A 29 8.109 8.601 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 29 7.307 11.185 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.973 9.662 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.632 11.116 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 29 7.890 8.651 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.242 8.003 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.190 7.953 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.394 9.308 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.316 9.578 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.349 10.990 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.910 10.688 -2.710 1.00 0.00 H new ATOM 487 N ALA A 30 8.929 11.187 -7.572 1.00 0.00 N ATOM 488 CA ALA A 30 9.565 12.057 -8.557 1.00 0.00 C ATOM 489 C ALA A 30 8.747 13.355 -8.736 1.00 0.00 C ATOM 490 O ALA A 30 7.527 13.350 -8.613 1.00 0.00 O ATOM 491 CB ALA A 30 9.724 11.336 -9.904 1.00 0.00 C ATOM 0 H ALA A 30 8.575 10.301 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 30 10.558 12.316 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.200 12.005 -10.621 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.342 10.448 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.743 11.043 -10.278 1.00 0.00 H new ATOM 497 N PRO A 31 9.476 14.478 -9.021 1.00 0.00 N ATOM 498 CA PRO A 31 8.856 15.781 -9.251 1.00 0.00 C ATOM 499 C PRO A 31 7.998 15.875 -10.519 1.00 0.00 C ATOM 500 O PRO A 31 7.411 16.911 -10.809 1.00 0.00 O ATOM 501 CB PRO A 31 10.025 16.769 -9.382 1.00 0.00 C ATOM 502 CG PRO A 31 11.290 15.929 -9.501 1.00 0.00 C ATOM 503 CD PRO A 31 10.928 14.524 -9.062 1.00 0.00 C ATOM 0 HA PRO A 31 8.172 15.986 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.898 17.406 -10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.076 17.427 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.659 15.930 -10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.084 16.336 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.322 13.784 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.353 14.299 -8.084 1.00 0.00 H new ATOM 511 N MET A 32 7.941 14.748 -11.248 1.00 0.00 N ATOM 512 CA MET A 32 7.155 14.714 -12.457 1.00 0.00 C ATOM 513 C MET A 32 5.643 14.714 -12.149 1.00 0.00 C ATOM 514 O MET A 32 4.854 15.339 -12.847 1.00 0.00 O ATOM 515 CB MET A 32 7.552 13.406 -13.141 1.00 0.00 C ATOM 516 CG MET A 32 8.749 13.531 -14.087 1.00 0.00 C ATOM 517 SD MET A 32 10.268 12.835 -13.404 1.00 0.00 S ATOM 518 CE MET A 32 10.189 11.178 -14.128 1.00 0.00 C ATOM 0 H MET A 32 8.422 13.879 -11.016 1.00 0.00 H new ATOM 0 HA MET A 32 7.340 15.590 -13.079 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.783 12.665 -12.376 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.697 13.029 -13.702 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.516 13.028 -15.026 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.912 14.583 -14.320 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.157 10.688 -14.023 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.428 10.592 -13.613 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.934 11.255 -15.185 1.00 0.00 H new ATOM 528 N ASN A 33 5.317 13.978 -11.065 1.00 0.00 N ATOM 529 CA ASN A 33 3.950 13.839 -10.567 1.00 0.00 C ATOM 530 C ASN A 33 3.872 14.132 -9.057 1.00 0.00 C ATOM 531 O ASN A 33 4.871 14.274 -8.361 1.00 0.00 O ATOM 532 CB ASN A 33 3.329 12.486 -10.933 1.00 0.00 C ATOM 533 CG ASN A 33 2.916 12.429 -12.417 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.532 13.006 -13.300 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.811 11.705 -12.632 1.00 0.00 N ATOM 0 H ASN A 33 6.005 13.465 -10.515 1.00 0.00 H new ATOM 0 HA ASN A 33 3.345 14.592 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.043 11.690 -10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.456 12.305 -10.306 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.438 11.612 -13.577 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.342 11.247 -11.851 1.00 0.00 H new ATOM 542 N LYS A 34 2.596 14.264 -8.633 1.00 0.00 N ATOM 543 CA LYS A 34 2.273 14.561 -7.251 1.00 0.00 C ATOM 544 C LYS A 34 0.954 13.909 -6.844 1.00 0.00 C ATOM 545 O LYS A 34 -0.004 13.831 -7.600 1.00 0.00 O ATOM 546 CB LYS A 34 2.221 16.060 -6.974 1.00 0.00 C ATOM 547 CG LYS A 34 1.008 16.751 -7.614 1.00 0.00 C ATOM 548 CD LYS A 34 -0.227 16.676 -6.689 1.00 0.00 C ATOM 549 CE LYS A 34 -0.726 18.048 -6.253 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.651 17.946 -5.129 1.00 0.00 N ATOM 0 H LYS A 34 1.783 14.166 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 34 3.079 14.142 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.198 16.223 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.134 16.524 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.248 17.794 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.779 16.280 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.030 16.150 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.022 16.088 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.122 18.673 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.221 18.540 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.972 18.897 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.471 17.369 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.170 17.499 -4.323 1.00 0.00 H new ATOM 564 N ALA A 35 1.035 13.440 -5.589 1.00 0.00 N ATOM 565 CA ALA A 35 0.037 12.769 -4.764 1.00 0.00 C ATOM 566 C ALA A 35 -1.003 12.089 -5.590 1.00 0.00 C ATOM 567 O ALA A 35 -1.947 12.697 -6.082 1.00 0.00 O ATOM 568 CB ALA A 35 -0.641 13.749 -3.770 1.00 0.00 C ATOM 0 H ALA A 35 1.910 13.538 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 35 0.573 12.011 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.378 13.211 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.114 14.180 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.136 14.546 -4.325 1.00 0.00 H new ATOM 574 N GLY A 36 -0.817 10.756 -5.653 1.00 0.00 N ATOM 575 CA GLY A 36 -1.732 10.072 -6.497 1.00 0.00 C ATOM 576 C GLY A 36 -1.026 8.862 -7.012 1.00 0.00 C ATOM 577 O GLY A 36 -1.371 7.763 -6.638 1.00 0.00 O ATOM 0 H GLY A 36 -0.108 10.202 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.629 9.790 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.051 10.712 -7.319 1.00 0.00 H new ATOM 581 N SER A 37 -0.276 9.131 -8.097 1.00 0.00 N ATOM 582 CA SER A 37 0.708 8.243 -8.735 1.00 0.00 C ATOM 583 C SER A 37 0.747 6.844 -8.107 1.00 0.00 C ATOM 584 O SER A 37 0.831 6.778 -6.884 1.00 0.00 O ATOM 585 CB SER A 37 2.026 8.889 -9.170 1.00 0.00 C ATOM 586 OG SER A 37 2.944 9.270 -8.058 1.00 0.00 O ATOM 0 H SER A 37 -0.347 10.027 -8.578 1.00 0.00 H new ATOM 0 HA SER A 37 0.320 8.040 -9.733 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.549 8.199 -9.832 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.800 9.781 -9.754 1.00 0.00 H new ATOM 0 HG SER A 37 3.789 9.600 -8.430 1.00 0.00 H new ATOM 592 N PHE A 38 0.805 5.745 -8.925 1.00 0.00 N ATOM 593 CA PHE A 38 0.813 4.438 -8.214 1.00 0.00 C ATOM 594 C PHE A 38 1.846 3.447 -8.822 1.00 0.00 C ATOM 595 O PHE A 38 2.293 3.579 -9.951 1.00 0.00 O ATOM 596 CB PHE A 38 -0.483 3.601 -8.514 1.00 0.00 C ATOM 597 CG PHE A 38 -1.724 4.379 -8.784 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.161 5.337 -7.901 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.415 4.149 -9.968 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.269 6.091 -8.207 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.532 4.890 -10.280 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.944 5.849 -9.384 1.00 0.00 C ATOM 0 H PHE A 38 0.842 5.731 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 38 0.976 4.724 -7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.286 2.962 -9.375 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.670 2.943 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.636 5.497 -6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.073 3.383 -10.648 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.607 6.864 -7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.070 4.723 -11.202 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.825 6.431 -9.610 1.00 0.00 H new ATOM 612 N LEU A 39 2.061 2.395 -7.991 1.00 0.00 N ATOM 613 CA LEU A 39 2.921 1.265 -8.269 1.00 0.00 C ATOM 614 C LEU A 39 2.377 0.078 -7.531 1.00 0.00 C ATOM 615 O LEU A 39 2.367 0.113 -6.311 1.00 0.00 O ATOM 616 CB LEU A 39 4.386 1.515 -7.829 1.00 0.00 C ATOM 617 CG LEU A 39 5.262 2.158 -8.937 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.072 1.227 -10.087 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.091 3.621 -9.462 1.00 0.00 C ATOM 0 H LEU A 39 1.612 2.329 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 39 2.934 1.097 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.389 2.163 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.833 0.568 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 39 6.234 2.283 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.650 1.581 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.411 0.230 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.016 1.189 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.832 3.818 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.090 3.744 -9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.232 4.322 -8.639 1.00 0.00 H new ATOM 631 N ILE A 40 1.956 -0.977 -8.295 1.00 0.00 N ATOM 632 CA ILE A 40 1.409 -2.089 -7.530 1.00 0.00 C ATOM 633 C ILE A 40 2.486 -3.168 -7.808 1.00 0.00 C ATOM 634 O ILE A 40 2.449 -3.862 -8.815 1.00 0.00 O ATOM 635 CB ILE A 40 -0.072 -2.367 -8.016 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.984 -2.880 -6.918 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.217 -3.566 -8.957 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.441 -2.456 -7.205 1.00 0.00 C ATOM 0 H ILE A 40 1.984 -1.064 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 40 1.265 -1.974 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.318 -1.395 -8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.918 -3.966 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.664 -2.485 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.263 -3.682 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.384 -3.401 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.125 -4.469 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.091 -2.828 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.502 -1.368 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.760 -2.872 -8.161 1.00 0.00 H new ATOM 650 N ARG A 41 3.459 -3.265 -6.878 1.00 0.00 N ATOM 651 CA ARG A 41 4.522 -4.222 -7.119 1.00 0.00 C ATOM 652 C ARG A 41 4.168 -5.530 -6.410 1.00 0.00 C ATOM 653 O ARG A 41 3.355 -5.554 -5.496 1.00 0.00 O ATOM 654 CB ARG A 41 5.821 -3.583 -6.604 1.00 0.00 C ATOM 655 CG ARG A 41 6.029 -3.615 -5.083 1.00 0.00 C ATOM 656 CD ARG A 41 6.916 -4.795 -4.660 1.00 0.00 C ATOM 657 NE ARG A 41 7.518 -4.524 -3.363 1.00 0.00 N ATOM 658 CZ ARG A 41 8.541 -5.261 -2.889 1.00 0.00 C ATOM 659 NH1 ARG A 41 9.033 -6.281 -3.584 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.063 -4.967 -1.704 1.00 0.00 N ATOM 0 H ARG A 41 3.521 -2.726 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 41 4.652 -4.463 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.663 -4.088 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.847 -2.544 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.486 -2.680 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.063 -3.688 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.322 -5.708 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.695 -4.961 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 41 7.156 -3.756 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.636 -6.518 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.808 -6.827 -3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.689 -4.189 -1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.838 -5.519 -1.337 1.00 0.00 H new ATOM 674 N GLU A 42 4.813 -6.603 -6.897 1.00 0.00 N ATOM 675 CA GLU A 42 4.572 -7.920 -6.335 1.00 0.00 C ATOM 676 C GLU A 42 5.607 -8.264 -5.282 1.00 0.00 C ATOM 677 O GLU A 42 6.789 -8.022 -5.477 1.00 0.00 O ATOM 678 CB GLU A 42 4.540 -8.964 -7.467 1.00 0.00 C ATOM 679 CG GLU A 42 5.893 -9.409 -8.012 1.00 0.00 C ATOM 680 CD GLU A 42 5.729 -10.239 -9.305 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.039 -9.793 -10.223 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.305 -11.323 -9.383 1.00 0.00 O ATOM 0 H GLU A 42 5.488 -6.576 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 42 3.603 -7.923 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.010 -9.845 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.956 -8.557 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.512 -8.535 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.414 -10.002 -7.260 1.00 0.00 H new ATOM 689 N SER A 43 5.132 -8.868 -4.170 1.00 0.00 N ATOM 690 CA SER A 43 6.142 -9.284 -3.190 1.00 0.00 C ATOM 691 C SER A 43 6.777 -10.567 -3.808 1.00 0.00 C ATOM 692 O SER A 43 6.083 -11.532 -4.080 1.00 0.00 O ATOM 693 CB SER A 43 5.496 -9.458 -1.786 1.00 0.00 C ATOM 694 OG SER A 43 6.599 -9.188 -0.797 1.00 0.00 O ATOM 0 H SER A 43 4.156 -9.062 -3.946 1.00 0.00 H new ATOM 0 HA SER A 43 6.927 -8.550 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.667 -8.764 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.095 -10.464 -1.661 1.00 0.00 H new ATOM 0 HG SER A 43 6.251 -9.281 0.114 1.00 0.00 H new ATOM 700 N GLU A 44 8.090 -10.550 -4.076 1.00 0.00 N ATOM 701 CA GLU A 44 8.719 -11.723 -4.702 1.00 0.00 C ATOM 702 C GLU A 44 8.835 -12.945 -3.750 1.00 0.00 C ATOM 703 O GLU A 44 9.541 -13.899 -4.053 1.00 0.00 O ATOM 704 CB GLU A 44 10.063 -11.356 -5.330 1.00 0.00 C ATOM 705 CG GLU A 44 10.972 -10.577 -4.367 1.00 0.00 C ATOM 706 CD GLU A 44 12.393 -10.368 -4.925 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.564 -9.554 -5.832 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.320 -11.015 -4.435 1.00 0.00 O ATOM 0 H GLU A 44 8.717 -9.770 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 44 8.049 -12.042 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.572 -12.266 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.891 -10.758 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.523 -9.606 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.034 -11.112 -3.420 1.00 0.00 H new ATOM 715 N SER A 45 8.152 -12.868 -2.583 1.00 0.00 N ATOM 716 CA SER A 45 8.186 -13.962 -1.619 1.00 0.00 C ATOM 717 C SER A 45 6.802 -14.166 -0.969 1.00 0.00 C ATOM 718 O SER A 45 6.675 -14.403 0.227 1.00 0.00 O ATOM 719 CB SER A 45 9.303 -13.688 -0.606 1.00 0.00 C ATOM 720 OG SER A 45 8.836 -12.459 0.124 1.00 0.00 O ATOM 0 H SER A 45 7.584 -12.069 -2.301 1.00 0.00 H new ATOM 0 HA SER A 45 8.413 -14.904 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.440 -14.529 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.259 -13.519 -1.101 1.00 0.00 H new ATOM 0 HG SER A 45 9.498 -12.210 0.802 1.00 0.00 H new ATOM 726 N ASN A 46 5.775 -14.000 -1.830 1.00 0.00 N ATOM 727 CA ASN A 46 4.379 -14.162 -1.456 1.00 0.00 C ATOM 728 C ASN A 46 3.576 -15.193 -2.270 1.00 0.00 C ATOM 729 O ASN A 46 3.917 -15.583 -3.381 1.00 0.00 O ATOM 730 CB ASN A 46 3.698 -12.827 -1.643 1.00 0.00 C ATOM 731 CG ASN A 46 3.716 -12.390 -3.121 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.539 -11.106 -3.278 1.00 0.00 O flip ATOM 733 ND2 ASN A 46 3.871 -13.155 -4.058 1.00 0.00 N flip ATOM 0 H ASN A 46 5.907 -13.748 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 46 4.393 -14.529 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.668 -12.890 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.196 -12.074 -1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.006 -14.151 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.866 -12.799 -5.014 1.00 0.00 H new ATOM 740 N LYS A 47 2.483 -15.615 -1.606 1.00 0.00 N ATOM 741 CA LYS A 47 1.428 -16.441 -2.193 1.00 0.00 C ATOM 742 C LYS A 47 0.540 -15.674 -3.185 1.00 0.00 C ATOM 743 O LYS A 47 -0.672 -15.845 -3.172 1.00 0.00 O ATOM 744 CB LYS A 47 0.660 -17.317 -1.200 1.00 0.00 C ATOM 745 CG LYS A 47 0.261 -16.516 0.012 1.00 0.00 C ATOM 746 CD LYS A 47 1.410 -16.457 1.038 1.00 0.00 C ATOM 747 CE LYS A 47 1.688 -15.039 1.539 1.00 0.00 C ATOM 748 NZ LYS A 47 2.222 -15.014 2.895 1.00 0.00 N ATOM 0 H LYS A 47 2.312 -15.383 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 47 1.963 -17.174 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.228 -17.728 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.279 -18.162 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.014 -15.505 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.620 -16.962 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.165 -17.095 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.316 -16.861 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.394 -14.553 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.765 -14.459 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.392 -14.029 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.539 -15.452 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.117 -15.543 2.925 1.00 0.00 H new ATOM 762 N GLY A 48 1.170 -14.847 -4.038 1.00 0.00 N ATOM 763 CA GLY A 48 0.391 -14.074 -4.992 1.00 0.00 C ATOM 764 C GLY A 48 -0.112 -12.755 -4.385 1.00 0.00 C ATOM 765 O GLY A 48 -1.205 -12.287 -4.678 1.00 0.00 O ATOM 0 H GLY A 48 2.179 -14.706 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.000 -13.861 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.460 -14.666 -5.330 1.00 0.00 H new ATOM 769 N ALA A 49 0.783 -12.168 -3.556 1.00 0.00 N ATOM 770 CA ALA A 49 0.465 -10.879 -2.902 1.00 0.00 C ATOM 771 C ALA A 49 1.065 -9.686 -3.700 1.00 0.00 C ATOM 772 O ALA A 49 1.838 -9.842 -4.638 1.00 0.00 O ATOM 773 CB ALA A 49 0.965 -10.842 -1.428 1.00 0.00 C ATOM 0 H ALA A 49 1.701 -12.551 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.621 -10.784 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.713 -9.880 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.487 -11.641 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.046 -10.979 -1.407 1.00 0.00 H new ATOM 779 N PHE A 50 0.633 -8.480 -3.304 1.00 0.00 N ATOM 780 CA PHE A 50 1.111 -7.259 -3.954 1.00 0.00 C ATOM 781 C PHE A 50 1.217 -6.146 -2.885 1.00 0.00 C ATOM 782 O PHE A 50 0.885 -6.339 -1.722 1.00 0.00 O ATOM 783 CB PHE A 50 0.222 -6.887 -5.171 1.00 0.00 C ATOM 784 CG PHE A 50 0.325 -7.836 -6.333 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.459 -8.980 -6.359 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.162 -7.580 -7.410 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.402 -9.855 -7.429 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.184 -8.428 -8.506 1.00 0.00 C ATOM 789 CZ PHE A 50 0.397 -9.567 -8.521 1.00 0.00 C ATOM 0 H PHE A 50 -0.036 -8.328 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 50 2.105 -7.408 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.817 -6.843 -4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.492 -5.887 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.123 -9.190 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.803 -6.711 -7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.983 -10.765 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.817 -8.200 -9.351 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.407 -10.225 -9.378 1.00 0.00 H new ATOM 799 N SER A 51 1.666 -4.977 -3.363 1.00 0.00 N ATOM 800 CA SER A 51 1.807 -3.782 -2.540 1.00 0.00 C ATOM 801 C SER A 51 1.632 -2.569 -3.495 1.00 0.00 C ATOM 802 O SER A 51 2.359 -2.448 -4.468 1.00 0.00 O ATOM 803 CB SER A 51 3.239 -3.775 -1.884 1.00 0.00 C ATOM 804 OG SER A 51 3.564 -4.410 -0.575 1.00 0.00 O ATOM 0 H SER A 51 1.941 -4.840 -4.336 1.00 0.00 H new ATOM 0 HA SER A 51 1.071 -3.746 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.910 -4.226 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.526 -2.727 -1.793 1.00 0.00 H new ATOM 0 HG SER A 51 4.536 -4.420 -0.449 1.00 0.00 H new ATOM 810 N LEU A 52 0.663 -1.697 -3.166 1.00 0.00 N ATOM 811 CA LEU A 52 0.347 -0.485 -3.928 1.00 0.00 C ATOM 812 C LEU A 52 0.856 0.722 -3.105 1.00 0.00 C ATOM 813 O LEU A 52 0.422 0.986 -1.992 1.00 0.00 O ATOM 814 CB LEU A 52 -1.213 -0.472 -3.971 1.00 0.00 C ATOM 815 CG LEU A 52 -1.934 0.794 -4.489 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.689 0.959 -5.987 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.455 0.722 -4.227 1.00 0.00 C ATOM 0 H LEU A 52 0.068 -1.821 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 52 0.789 -0.448 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.533 -1.310 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.573 -0.666 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.529 1.651 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.201 1.853 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.619 1.055 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.072 0.087 -6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.932 1.627 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.871 -0.147 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.636 0.635 -3.156 1.00 0.00 H new ATOM 829 N SER A 53 1.812 1.404 -3.750 1.00 0.00 N ATOM 830 CA SER A 53 2.495 2.588 -3.272 1.00 0.00 C ATOM 831 C SER A 53 1.806 3.781 -3.956 1.00 0.00 C ATOM 832 O SER A 53 1.462 3.716 -5.128 1.00 0.00 O ATOM 833 CB SER A 53 3.978 2.436 -3.690 1.00 0.00 C ATOM 834 OG SER A 53 4.822 1.366 -3.096 1.00 0.00 O ATOM 0 H SER A 53 2.140 1.118 -4.672 1.00 0.00 H new ATOM 0 HA SER A 53 2.455 2.733 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.995 2.297 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.470 3.386 -3.483 1.00 0.00 H new ATOM 0 HG SER A 53 5.725 1.415 -3.473 1.00 0.00 H new ATOM 840 N VAL A 54 1.611 4.844 -3.156 1.00 0.00 N ATOM 841 CA VAL A 54 0.940 6.047 -3.660 1.00 0.00 C ATOM 842 C VAL A 54 1.691 7.220 -3.064 1.00 0.00 C ATOM 843 O VAL A 54 2.155 7.096 -1.943 1.00 0.00 O ATOM 844 CB VAL A 54 -0.530 6.127 -3.187 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.138 7.472 -3.580 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.392 5.025 -3.806 1.00 0.00 C ATOM 0 H VAL A 54 1.902 4.893 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 54 0.937 6.041 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.518 6.006 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.173 7.516 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.570 8.278 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.106 7.583 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.417 5.119 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.379 5.119 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.996 4.050 -3.522 1.00 0.00 H new ATOM 856 N LYS A 55 1.786 8.376 -3.764 1.00 0.00 N ATOM 857 CA LYS A 55 2.528 9.394 -3.035 1.00 0.00 C ATOM 858 C LYS A 55 1.633 10.094 -2.006 1.00 0.00 C ATOM 859 O LYS A 55 0.510 10.473 -2.285 1.00 0.00 O ATOM 860 CB LYS A 55 3.072 10.362 -4.090 1.00 0.00 C ATOM 861 CG LYS A 55 4.193 11.324 -3.678 1.00 0.00 C ATOM 862 CD LYS A 55 4.438 12.451 -4.699 1.00 0.00 C ATOM 863 CE LYS A 55 5.678 13.285 -4.391 1.00 0.00 C ATOM 864 NZ LYS A 55 6.517 13.573 -5.554 1.00 0.00 N ATOM 0 H LYS A 55 1.418 8.598 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 55 3.347 8.962 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.433 9.770 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.237 10.960 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.946 11.766 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.115 10.759 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.539 12.016 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.566 13.105 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.365 14.228 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.278 12.761 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.519 13.498 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.308 12.890 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.321 14.536 -5.894 1.00 0.00 H new ATOM 878 N ASP A 56 2.252 10.236 -0.798 1.00 0.00 N ATOM 879 CA ASP A 56 1.563 10.963 0.247 1.00 0.00 C ATOM 880 C ASP A 56 2.403 12.205 0.547 1.00 0.00 C ATOM 881 O ASP A 56 3.482 12.170 1.114 1.00 0.00 O ATOM 882 CB ASP A 56 1.300 10.073 1.459 1.00 0.00 C ATOM 883 CG ASP A 56 0.948 10.841 2.750 1.00 0.00 C ATOM 884 OD1 ASP A 56 0.178 11.799 2.687 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.448 10.468 3.809 1.00 0.00 O ATOM 0 H ASP A 56 3.173 9.871 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 56 0.569 11.281 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.484 9.390 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.183 9.462 1.644 1.00 0.00 H new ATOM 890 N ILE A 57 1.805 13.315 0.084 1.00 0.00 N ATOM 891 CA ILE A 57 2.427 14.611 0.299 1.00 0.00 C ATOM 892 C ILE A 57 1.683 15.285 1.463 1.00 0.00 C ATOM 893 O ILE A 57 0.461 15.381 1.482 1.00 0.00 O ATOM 894 CB ILE A 57 2.382 15.457 -0.970 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.991 14.698 -2.161 1.00 0.00 C ATOM 896 CG2 ILE A 57 3.109 16.801 -0.754 1.00 0.00 C ATOM 897 CD1 ILE A 57 3.120 15.593 -3.387 1.00 0.00 C ATOM 0 H ILE A 57 0.921 13.334 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 57 3.482 14.497 0.548 1.00 0.00 H new ATOM 0 HB ILE A 57 1.337 15.663 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.973 14.314 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.368 13.837 -2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.066 17.390 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.625 17.351 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.150 16.613 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.554 15.024 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.134 15.956 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.764 16.440 -3.153 1.00 0.00 H new ATOM 909 N THR A 58 2.515 15.620 2.464 1.00 0.00 N ATOM 910 CA THR A 58 2.083 16.292 3.686 1.00 0.00 C ATOM 911 C THR A 58 2.999 17.487 3.930 1.00 0.00 C ATOM 912 O THR A 58 4.055 17.615 3.323 1.00 0.00 O ATOM 913 CB THR A 58 2.014 15.291 4.857 1.00 0.00 C ATOM 914 OG1 THR A 58 1.514 16.027 6.033 1.00 0.00 O ATOM 915 CG2 THR A 58 3.321 14.416 4.883 1.00 0.00 C ATOM 0 H THR A 58 3.516 15.426 2.440 1.00 0.00 H new ATOM 0 HA THR A 58 1.069 16.680 3.588 1.00 0.00 H new ATOM 0 HB THR A 58 1.284 14.485 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.455 15.419 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.269 13.710 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.411 13.869 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.189 15.063 5.011 1.00 0.00 H new ATOM 923 N THR A 59 2.502 18.381 4.815 1.00 0.00 N ATOM 924 CA THR A 59 3.244 19.580 5.206 1.00 0.00 C ATOM 925 C THR A 59 4.583 19.224 5.909 1.00 0.00 C ATOM 926 O THR A 59 5.353 20.111 6.241 1.00 0.00 O ATOM 927 CB THR A 59 2.411 20.553 6.115 1.00 0.00 C ATOM 928 OG1 THR A 59 2.932 21.886 6.442 1.00 0.00 O ATOM 929 CG2 THR A 59 1.958 19.819 7.393 1.00 0.00 C ATOM 0 H THR A 59 1.592 18.287 5.265 1.00 0.00 H new ATOM 0 HA THR A 59 3.458 20.103 4.274 1.00 0.00 H new ATOM 0 HB THR A 59 1.585 20.815 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.911 21.855 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.381 20.500 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.340 18.964 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.833 19.474 7.944 1.00 0.00 H new ATOM 937 N GLN A 60 4.785 17.895 6.122 1.00 0.00 N ATOM 938 CA GLN A 60 6.000 17.428 6.805 1.00 0.00 C ATOM 939 C GLN A 60 7.103 17.096 5.796 1.00 0.00 C ATOM 940 O GLN A 60 8.029 17.880 5.601 1.00 0.00 O ATOM 941 CB GLN A 60 5.680 16.215 7.674 1.00 0.00 C ATOM 942 CG GLN A 60 4.909 16.560 8.966 1.00 0.00 C ATOM 943 CD GLN A 60 4.513 15.275 9.711 1.00 0.00 C ATOM 944 OE1 GLN A 60 5.230 14.284 9.699 1.00 0.00 O ATOM 945 NE2 GLN A 60 3.333 15.348 10.346 1.00 0.00 N ATOM 0 H GLN A 60 4.140 17.158 5.838 1.00 0.00 H new ATOM 0 HA GLN A 60 6.365 18.231 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.093 15.506 7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.611 15.715 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.527 17.186 9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.017 17.137 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.788 16.210 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.981 14.542 10.862 1.00 0.00 H new ATOM 954 N GLY A 61 6.889 15.991 5.063 1.00 0.00 N ATOM 955 CA GLY A 61 7.855 15.574 4.066 1.00 0.00 C ATOM 956 C GLY A 61 7.139 14.786 2.972 1.00 0.00 C ATOM 957 O GLY A 61 5.953 14.489 3.052 1.00 0.00 O ATOM 0 H GLY A 61 6.070 15.389 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.352 16.444 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.629 14.959 4.526 1.00 0.00 H new ATOM 961 N GLU A 62 7.937 14.529 1.917 1.00 0.00 N ATOM 962 CA GLU A 62 7.497 13.781 0.767 1.00 0.00 C ATOM 963 C GLU A 62 7.687 12.288 1.065 1.00 0.00 C ATOM 964 O GLU A 62 8.797 11.827 1.311 1.00 0.00 O ATOM 965 CB GLU A 62 8.346 14.226 -0.429 1.00 0.00 C ATOM 966 CG GLU A 62 7.541 14.096 -1.712 1.00 0.00 C ATOM 967 CD GLU A 62 8.409 14.310 -2.963 1.00 0.00 C ATOM 968 OE1 GLU A 62 9.341 13.536 -3.161 1.00 0.00 O ATOM 969 OE2 GLU A 62 8.133 15.231 -3.731 1.00 0.00 O ATOM 0 H GLU A 62 8.905 14.844 1.857 1.00 0.00 H new ATOM 0 HA GLU A 62 6.445 13.956 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.667 15.259 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.248 13.617 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.083 13.108 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.729 14.823 -1.706 1.00 0.00 H new ATOM 976 N VAL A 63 6.541 11.579 1.066 1.00 0.00 N ATOM 977 CA VAL A 63 6.541 10.155 1.352 1.00 0.00 C ATOM 978 C VAL A 63 5.613 9.472 0.343 1.00 0.00 C ATOM 979 O VAL A 63 4.925 10.130 -0.424 1.00 0.00 O ATOM 980 CB VAL A 63 6.061 9.975 2.811 1.00 0.00 C ATOM 981 CG1 VAL A 63 4.685 10.620 3.074 1.00 0.00 C ATOM 982 CG2 VAL A 63 6.098 8.512 3.277 1.00 0.00 C ATOM 0 H VAL A 63 5.621 11.975 0.873 1.00 0.00 H new ATOM 0 HA VAL A 63 7.529 9.704 1.257 1.00 0.00 H new ATOM 0 HB VAL A 63 6.784 10.517 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.401 10.461 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.740 11.690 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.940 10.166 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.750 8.450 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.451 7.910 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.119 8.136 3.215 1.00 0.00 H new ATOM 992 N VAL A 64 5.638 8.124 0.391 1.00 0.00 N ATOM 993 CA VAL A 64 4.736 7.320 -0.425 1.00 0.00 C ATOM 994 C VAL A 64 3.693 6.842 0.568 1.00 0.00 C ATOM 995 O VAL A 64 3.470 7.476 1.584 1.00 0.00 O ATOM 996 CB VAL A 64 5.436 6.186 -1.220 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.711 5.782 -2.506 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.784 6.647 -1.648 1.00 0.00 C ATOM 0 H VAL A 64 6.270 7.584 0.983 1.00 0.00 H new ATOM 0 HA VAL A 64 4.292 7.893 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 64 5.456 5.332 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.265 4.985 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.708 5.430 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.642 6.643 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.279 5.853 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.683 7.528 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.379 6.898 -0.770 1.00 0.00 H new ATOM 1008 N LYS A 65 3.051 5.744 0.197 1.00 0.00 N ATOM 1009 CA LYS A 65 2.072 5.041 1.006 1.00 0.00 C ATOM 1010 C LYS A 65 2.272 3.556 0.805 1.00 0.00 C ATOM 1011 O LYS A 65 2.883 3.142 -0.164 1.00 0.00 O ATOM 1012 CB LYS A 65 0.651 5.453 0.624 1.00 0.00 C ATOM 1013 CG LYS A 65 0.413 6.912 0.997 1.00 0.00 C ATOM 1014 CD LYS A 65 0.410 7.123 2.533 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.866 7.757 3.108 1.00 0.00 C ATOM 1016 NZ LYS A 65 -0.660 8.594 4.285 1.00 0.00 N ATOM 0 H LYS A 65 3.205 5.304 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 65 2.210 5.296 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.498 5.313 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.071 4.816 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.188 7.533 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.540 7.242 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.565 6.158 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.260 7.752 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.337 8.358 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.566 6.961 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.348 9.374 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.789 8.022 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.304 8.983 4.270 1.00 0.00 H new ATOM 1030 N HIS A 66 1.621 2.797 1.703 1.00 0.00 N ATOM 1031 CA HIS A 66 1.675 1.349 1.634 1.00 0.00 C ATOM 1032 C HIS A 66 0.266 0.798 1.919 1.00 0.00 C ATOM 1033 O HIS A 66 -0.334 1.075 2.950 1.00 0.00 O ATOM 1034 CB HIS A 66 2.601 0.816 2.748 1.00 0.00 C ATOM 1035 CG HIS A 66 4.056 1.002 2.399 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.921 1.762 3.106 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.750 0.409 1.334 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.106 1.632 2.486 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.032 0.821 1.414 1.00 0.00 N ATOM 0 H HIS A 66 1.061 3.167 2.471 1.00 0.00 H new ATOM 0 HA HIS A 66 2.038 1.045 0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.382 1.333 3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.399 -0.242 2.914 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.335 -0.254 0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.013 2.121 2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.795 0.568 0.786 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.200 -0.001 0.939 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.504 -0.673 0.987 1.00 0.00 C ATOM 1049 C TYR A 67 -1.266 -2.147 0.623 1.00 0.00 C ATOM 1050 O TYR A 67 -0.945 -2.488 -0.510 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.469 -0.046 -0.019 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.740 1.387 0.293 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.642 1.718 1.289 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.103 2.392 -0.413 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.935 3.045 1.536 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.391 3.723 -0.191 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.367 4.052 0.766 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.934 5.305 0.935 1.00 0.00 O ATOM 0 H TYR A 67 0.326 -0.197 0.087 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.945 -0.576 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.051 -0.127 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.407 -0.602 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.115 0.941 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.363 2.129 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.613 3.302 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.877 4.497 -0.742 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.815 5.212 1.355 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.386 -2.977 1.676 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.185 -4.425 1.579 1.00 0.00 C ATOM 1070 C LYS A 68 -2.404 -5.138 0.966 1.00 0.00 C ATOM 1071 O LYS A 68 -3.453 -5.280 1.576 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.873 -5.075 2.932 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.780 -4.570 4.046 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.288 -3.244 4.646 1.00 0.00 C ATOM 1075 CE LYS A 68 -0.867 -3.354 6.109 1.00 0.00 C ATOM 1076 NZ LYS A 68 0.506 -3.833 6.243 1.00 0.00 N ATOM 0 H LYS A 68 -1.625 -2.658 2.615 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.322 -4.545 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.978 -6.156 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.166 -4.876 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.789 -4.437 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.838 -5.322 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.444 -2.881 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.080 -2.500 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.961 -2.380 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.541 -4.032 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.755 -3.895 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.590 -4.774 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.152 -3.172 5.766 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.155 -5.528 -0.288 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.015 -6.317 -1.173 1.00 0.00 C ATOM 1092 C ILE A 69 -2.766 -7.823 -1.044 1.00 0.00 C ATOM 1093 O ILE A 69 -1.690 -8.333 -1.319 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.117 -5.794 -2.607 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.832 -5.138 -3.058 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.427 -5.149 -3.046 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -1.972 -4.434 -4.387 1.00 0.00 C ATOM 0 H ILE A 69 -1.278 -5.280 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.029 -6.165 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.217 -6.691 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.511 -4.420 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.050 -5.893 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.345 -4.829 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.238 -5.871 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.636 -4.285 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.019 -3.981 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.265 -5.154 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.733 -3.658 -4.309 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.850 -8.502 -0.605 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.833 -9.945 -0.424 1.00 0.00 C ATOM 1111 C ARG A 70 -4.466 -10.619 -1.633 1.00 0.00 C ATOM 1112 O ARG A 70 -5.019 -9.960 -2.497 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.567 -10.288 0.878 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.579 -10.280 2.046 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.957 -11.434 2.959 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.449 -11.229 4.311 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.853 -11.990 5.349 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.711 -12.987 5.174 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.394 -11.736 6.567 1.00 0.00 N ATOM 0 H ARG A 70 -4.740 -8.061 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.810 -10.313 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.364 -9.566 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.037 -11.268 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.556 -10.393 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.625 -9.333 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.042 -11.537 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.559 -12.365 2.556 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.768 -10.488 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.076 -13.188 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.005 -13.552 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.739 -10.968 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.696 -12.308 7.355 1.00 0.00 H new ATOM 1133 N SER A 71 -4.404 -11.969 -1.591 1.00 0.00 N ATOM 1134 CA SER A 71 -4.989 -12.779 -2.640 1.00 0.00 C ATOM 1135 C SER A 71 -5.675 -13.970 -1.983 1.00 0.00 C ATOM 1136 O SER A 71 -5.052 -14.851 -1.402 1.00 0.00 O ATOM 1137 CB SER A 71 -3.951 -13.237 -3.688 1.00 0.00 C ATOM 1138 OG SER A 71 -2.826 -14.104 -3.248 1.00 0.00 O ATOM 0 H SER A 71 -3.956 -12.499 -0.844 1.00 0.00 H new ATOM 0 HA SER A 71 -5.712 -12.179 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.488 -13.766 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.522 -12.343 -4.140 1.00 0.00 H new ATOM 0 HG SER A 71 -3.122 -14.673 -2.507 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.014 -13.888 -2.083 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.900 -14.884 -1.501 1.00 0.00 C ATOM 1146 C LEU A 72 -8.199 -15.951 -2.530 1.00 0.00 C ATOM 1147 O LEU A 72 -8.068 -15.750 -3.733 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.190 -14.248 -0.948 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.972 -12.836 -0.461 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.734 -12.772 0.450 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -9.014 -11.847 -1.642 1.00 0.00 C ATOM 0 H LEU A 72 -7.498 -13.132 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.398 -15.346 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.954 -14.247 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.570 -14.858 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.790 -12.510 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.588 -11.748 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.880 -13.426 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.855 -13.096 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.855 -10.833 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.231 -12.100 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.986 -11.907 -2.132 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.682 -17.054 -1.924 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.029 -18.275 -2.649 1.00 0.00 C ATOM 1165 C ASP A 73 -10.153 -18.084 -3.684 1.00 0.00 C ATOM 1166 O ASP A 73 -10.351 -18.924 -4.554 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.463 -19.370 -1.657 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.756 -19.044 -0.871 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -11.836 -19.069 -1.463 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -10.669 -18.781 0.326 1.00 0.00 O ATOM 0 H ASP A 73 -8.839 -17.115 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.129 -18.563 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.610 -20.301 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.654 -19.541 -0.947 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.852 -16.937 -3.551 1.00 0.00 N ATOM 1176 CA ASN A 74 -11.947 -16.654 -4.472 1.00 0.00 C ATOM 1177 C ASN A 74 -11.476 -15.930 -5.745 1.00 0.00 C ATOM 1178 O ASN A 74 -12.263 -15.625 -6.633 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.002 -15.794 -3.752 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.437 -14.458 -3.218 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -11.497 -13.880 -3.750 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.067 -14.004 -2.127 1.00 0.00 N ATOM 0 H ASN A 74 -10.680 -16.224 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.372 -17.609 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.822 -15.585 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.419 -16.363 -2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.769 -13.130 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.845 -14.532 -1.730 1.00 0.00 H new ATOM 1189 N GLY A 75 -10.152 -15.707 -5.778 1.00 0.00 N ATOM 1190 CA GLY A 75 -9.531 -15.081 -6.929 1.00 0.00 C ATOM 1191 C GLY A 75 -9.790 -13.581 -6.999 1.00 0.00 C ATOM 1192 O GLY A 75 -10.337 -13.075 -7.969 1.00 0.00 O ATOM 0 H GLY A 75 -9.508 -15.952 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.456 -15.258 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.904 -15.552 -7.838 1.00 0.00 H new ATOM 1196 N GLY A 76 -9.323 -12.924 -5.918 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.415 -11.503 -5.735 1.00 0.00 C ATOM 1198 C GLY A 76 -8.237 -10.931 -4.957 1.00 0.00 C ATOM 1199 O GLY A 76 -7.256 -11.589 -4.634 1.00 0.00 O ATOM 0 H GLY A 76 -8.864 -13.400 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.470 -11.018 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.340 -11.268 -5.209 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.488 -9.651 -4.629 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.558 -8.788 -3.940 1.00 0.00 C ATOM 1205 C TYR A 77 -8.391 -7.937 -3.018 1.00 0.00 C ATOM 1206 O TYR A 77 -9.486 -7.505 -3.352 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.766 -7.936 -4.961 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.972 -8.794 -5.904 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.526 -9.244 -7.096 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.669 -9.139 -5.596 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.810 -10.039 -7.977 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.934 -9.950 -6.458 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.489 -10.394 -7.665 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.730 -11.188 -8.517 1.00 0.00 O ATOM 0 H TYR A 77 -9.372 -9.192 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.816 -9.349 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.457 -7.314 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.094 -7.262 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.540 -8.967 -7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.219 -8.778 -4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.265 -10.382 -8.895 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.928 -10.239 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.840 -11.325 -8.130 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.777 -7.721 -1.844 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.488 -6.942 -0.810 1.00 0.00 C ATOM 1226 C TYR A 78 -7.477 -6.194 0.070 1.00 0.00 C ATOM 1227 O TYR A 78 -6.357 -6.643 0.286 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.466 -7.805 0.032 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.953 -8.310 1.363 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.927 -7.435 2.453 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.535 -9.633 1.552 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.483 -7.818 3.701 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.122 -10.039 2.820 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.067 -9.139 3.896 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.613 -9.558 5.141 1.00 0.00 O ATOM 0 H TYR A 78 -6.845 -8.051 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.114 -6.210 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.366 -7.218 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.762 -8.666 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.268 -6.420 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.533 -10.329 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.457 -7.109 4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.838 -11.069 2.978 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.366 -10.505 5.097 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.920 -4.959 0.388 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.091 -4.052 1.209 1.00 0.00 C ATOM 1247 C ILE A 79 -7.823 -3.663 2.492 1.00 0.00 C ATOM 1248 O ILE A 79 -7.303 -3.756 3.602 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.475 -2.878 0.425 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.363 -2.441 -0.692 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.078 -3.072 -0.097 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.802 -1.212 -1.489 1.00 0.00 C ATOM 0 H ILE A 79 -8.820 -4.575 0.099 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.207 -4.609 1.519 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.389 -2.102 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.508 -3.275 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.343 -2.187 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.761 -2.175 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.401 -3.258 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.059 -3.924 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.497 -0.947 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.684 -0.364 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.835 -1.469 -1.921 1.00 0.00 H new ATOM 1264 N SER A 80 -9.103 -3.289 2.280 1.00 0.00 N ATOM 1265 CA SER A 80 -9.999 -2.942 3.358 1.00 0.00 C ATOM 1266 C SER A 80 -10.988 -4.077 3.199 1.00 0.00 C ATOM 1267 O SER A 80 -11.563 -4.241 2.137 1.00 0.00 O ATOM 1268 CB SER A 80 -10.765 -1.620 3.148 1.00 0.00 C ATOM 1269 OG SER A 80 -9.793 -0.552 3.554 1.00 0.00 O ATOM 0 H SER A 80 -9.525 -3.225 1.353 1.00 0.00 H new ATOM 0 HA SER A 80 -9.488 -2.814 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.074 -1.501 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.669 -1.585 3.755 1.00 0.00 H new ATOM 0 HG SER A 80 -10.210 0.328 3.446 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.170 -4.863 4.287 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.028 -6.032 4.205 1.00 0.00 C ATOM 1277 C PRO A 81 -13.519 -5.752 3.959 1.00 0.00 C ATOM 1278 O PRO A 81 -14.297 -6.663 3.711 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.889 -6.643 5.613 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.862 -5.854 6.411 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.480 -4.687 5.549 1.00 0.00 C ATOM 0 HA PRO A 81 -11.726 -6.649 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.852 -6.628 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.584 -7.687 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.279 -5.518 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.992 -6.469 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.767 -3.747 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.401 -4.652 5.399 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.836 -4.444 3.926 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.200 -4.019 3.624 1.00 0.00 C ATOM 1291 C ARG A 82 -15.417 -3.941 2.082 1.00 0.00 C ATOM 1292 O ARG A 82 -16.532 -3.739 1.619 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.494 -2.708 4.369 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.645 -1.514 3.906 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.426 -0.580 2.981 1.00 0.00 C ATOM 1296 NE ARG A 82 -15.745 0.680 3.649 1.00 0.00 N ATOM 1297 CZ ARG A 82 -16.762 0.824 4.524 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -17.589 -0.178 4.778 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -16.948 1.986 5.135 1.00 0.00 N ATOM 0 H ARG A 82 -13.178 -3.685 4.101 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.923 -4.753 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.548 -2.460 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.329 -2.865 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.299 -0.956 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.758 -1.879 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.841 -0.381 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.346 -1.068 2.660 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.167 1.495 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.462 -1.075 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.353 -0.053 5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.323 2.769 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.716 2.097 5.797 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.288 -4.135 1.343 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.153 -4.088 -0.110 1.00 0.00 C ATOM 1315 C ILE A 83 -13.010 -4.985 -0.698 1.00 0.00 C ATOM 1316 O ILE A 83 -11.804 -4.843 -0.440 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.092 -2.667 -0.608 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.068 -1.866 0.184 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.486 -2.027 -0.541 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.185 -0.416 -0.246 1.00 0.00 C ATOM 0 H ILE A 83 -13.397 -4.341 1.795 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.064 -4.543 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.771 -2.667 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.251 -1.964 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.062 -2.241 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.433 -1.000 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.178 -2.595 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.839 -2.030 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.462 0.186 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.985 -0.336 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.192 -0.055 -0.038 1.00 0.00 H new ATOM 1332 N THR A 84 -13.557 -5.934 -1.494 1.00 0.00 N ATOM 1333 CA THR A 84 -12.794 -6.939 -2.233 1.00 0.00 C ATOM 1334 C THR A 84 -13.127 -6.789 -3.748 1.00 0.00 C ATOM 1335 O THR A 84 -14.196 -6.317 -4.121 1.00 0.00 O ATOM 1336 CB THR A 84 -13.128 -8.369 -1.743 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.475 -8.123 -0.331 1.00 0.00 O ATOM 1338 CG2 THR A 84 -11.917 -9.280 -2.170 1.00 0.00 C ATOM 0 H THR A 84 -14.564 -6.015 -1.636 1.00 0.00 H new ATOM 0 HA THR A 84 -11.729 -6.782 -2.065 1.00 0.00 H new ATOM 0 HB THR A 84 -13.962 -8.938 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.713 -8.970 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.101 -10.305 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.807 -9.255 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.003 -8.912 -1.704 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.158 -7.235 -4.577 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.281 -7.213 -6.053 1.00 0.00 C ATOM 1348 C PHE A 85 -11.689 -8.538 -6.593 1.00 0.00 C ATOM 1349 O PHE A 85 -11.010 -9.218 -5.842 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.573 -5.965 -6.601 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.216 -4.713 -6.061 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.353 -4.181 -6.661 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.693 -4.076 -4.936 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.963 -3.045 -6.142 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.296 -2.938 -4.420 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.441 -2.427 -5.012 1.00 0.00 C ATOM 0 H PHE A 85 -11.273 -7.619 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.319 -7.148 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.519 -5.987 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.618 -5.963 -7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.766 -4.656 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.808 -4.473 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.845 -2.642 -6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.873 -2.449 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.924 -1.554 -4.598 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.926 -8.906 -7.886 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.348 -10.164 -8.424 1.00 0.00 C ATOM 1368 C PRO A 86 -9.963 -9.943 -9.070 1.00 0.00 C ATOM 1369 O PRO A 86 -9.181 -10.874 -9.212 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.284 -10.499 -9.628 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.248 -9.318 -9.828 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.028 -8.354 -8.670 1.00 0.00 C ATOM 0 HA PRO A 86 -11.260 -10.907 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.697 -10.668 -10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.841 -11.416 -9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.058 -8.824 -10.781 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.281 -9.664 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.785 -7.356 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.929 -8.261 -8.064 1.00 0.00 H new ATOM 1380 N THR A 87 -9.676 -8.668 -9.398 1.00 0.00 N ATOM 1381 CA THR A 87 -8.363 -8.329 -9.938 1.00 0.00 C ATOM 1382 C THR A 87 -8.041 -6.950 -9.429 1.00 0.00 C ATOM 1383 O THR A 87 -8.888 -6.225 -8.915 1.00 0.00 O ATOM 1384 CB THR A 87 -8.202 -8.353 -11.490 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.086 -7.671 -12.175 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.492 -7.859 -12.139 1.00 0.00 C ATOM 0 H THR A 87 -10.320 -7.883 -9.299 1.00 0.00 H new ATOM 0 HA THR A 87 -7.682 -9.111 -9.603 1.00 0.00 H new ATOM 0 HB THR A 87 -7.949 -9.404 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.164 -7.806 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.383 -7.875 -13.223 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.318 -8.509 -11.848 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.698 -6.841 -11.810 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.768 -6.589 -9.695 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.410 -5.263 -9.261 1.00 0.00 C ATOM 1396 C LEU A 88 -7.042 -4.247 -10.198 1.00 0.00 C ATOM 1397 O LEU A 88 -7.240 -3.157 -9.732 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.896 -4.946 -9.328 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.039 -5.376 -8.160 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.466 -4.648 -6.924 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.011 -6.828 -7.853 1.00 0.00 C ATOM 0 H LEU A 88 -6.050 -7.144 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.748 -5.212 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.495 -5.411 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.783 -3.869 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.026 -5.124 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.845 -4.961 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.354 -3.575 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.510 -4.877 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.362 -7.006 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.020 -7.171 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.631 -7.375 -8.716 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.360 -4.550 -11.477 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.955 -3.448 -12.299 1.00 0.00 C ATOM 1415 C GLN A 89 -9.343 -3.034 -11.774 1.00 0.00 C ATOM 1416 O GLN A 89 -9.655 -1.853 -11.751 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.006 -3.691 -13.835 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.226 -5.151 -14.228 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.511 -5.464 -14.983 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.561 -5.420 -14.149 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -9.542 -5.764 -16.168 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.236 -5.452 -11.937 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.249 -2.628 -12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.807 -3.086 -14.261 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.073 -3.343 -14.278 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.383 -5.470 -14.841 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.207 -5.755 -13.321 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.682 -5.766 -16.716 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.428 -6.012 -16.608 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.139 -4.036 -11.330 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.460 -3.671 -10.817 1.00 0.00 C ATOM 1432 C ALA A 90 -11.341 -2.981 -9.440 1.00 0.00 C ATOM 1433 O ALA A 90 -12.259 -2.324 -8.974 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.284 -4.966 -10.647 1.00 0.00 C ATOM 0 H ALA A 90 -9.906 -5.029 -11.318 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.938 -2.984 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.275 -4.719 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.381 -5.465 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.779 -5.629 -9.945 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.170 -3.185 -8.816 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.850 -2.561 -7.544 1.00 0.00 C ATOM 1442 C LEU A 91 -9.476 -1.092 -7.758 1.00 0.00 C ATOM 1443 O LEU A 91 -9.966 -0.198 -7.087 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.786 -3.424 -6.849 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.814 -2.698 -5.896 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.342 -3.560 -4.710 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.615 -2.173 -6.690 1.00 0.00 C ATOM 0 H LEU A 91 -9.431 -3.784 -9.184 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.707 -2.523 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.297 -4.203 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.197 -3.923 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.368 -1.870 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.662 -2.980 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.204 -3.868 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.826 -4.444 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.929 -1.660 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.100 -3.008 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.961 -1.477 -7.454 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.658 -0.893 -8.816 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.101 0.406 -9.133 1.00 0.00 C ATOM 1461 C VAL A 92 -9.196 1.345 -9.676 1.00 0.00 C ATOM 1462 O VAL A 92 -9.138 2.539 -9.451 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.942 0.261 -10.166 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.951 1.397 -10.137 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.991 -0.922 -10.014 1.00 0.00 C ATOM 0 H VAL A 92 -8.378 -1.634 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.697 0.843 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.558 0.180 -11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.176 1.223 -10.883 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.464 2.333 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.496 1.457 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.240 -0.889 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.499 -0.871 -9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.553 -1.853 -10.088 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.165 0.735 -10.405 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.312 1.396 -11.032 1.00 0.00 C ATOM 1477 C GLN A 93 -12.191 2.049 -9.946 1.00 0.00 C ATOM 1478 O GLN A 93 -12.600 3.202 -10.035 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.137 0.447 -11.953 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.304 -0.328 -11.319 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.568 0.534 -11.157 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -15.123 0.667 -10.076 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.994 1.108 -12.296 1.00 0.00 N ATOM 0 H GLN A 93 -10.158 -0.271 -10.572 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.926 2.173 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.536 1.041 -12.775 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.450 -0.279 -12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.537 -1.196 -11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.998 -0.704 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.483 0.956 -13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.828 1.696 -12.290 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.369 1.246 -8.864 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.249 1.656 -7.771 1.00 0.00 C ATOM 1494 C HIS A 94 -12.593 2.792 -7.003 1.00 0.00 C ATOM 1495 O HIS A 94 -13.193 3.842 -6.799 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.522 0.467 -6.831 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.661 0.796 -5.889 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.556 1.617 -4.817 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.988 0.335 -5.959 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.781 1.654 -4.261 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.664 0.890 -4.929 1.00 0.00 N ATOM 0 H HIS A 94 -11.922 0.338 -8.739 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.201 1.995 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.769 -0.419 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.624 0.232 -6.260 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.392 -0.339 -6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.027 2.230 -3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.650 0.756 -4.703 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.312 2.547 -6.657 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.602 3.609 -5.960 1.00 0.00 C ATOM 1511 C TYR A 95 -10.258 4.770 -6.894 1.00 0.00 C ATOM 1512 O TYR A 95 -9.839 5.819 -6.421 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.330 3.141 -5.275 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.620 2.147 -4.214 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.281 2.570 -3.085 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.232 0.829 -4.328 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.600 1.708 -2.079 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.481 -0.066 -3.309 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.142 0.380 -2.156 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.289 -0.479 -1.087 1.00 0.00 O ATOM 0 H TYR A 95 -10.791 1.689 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.295 3.945 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.658 2.702 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.812 3.997 -4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.554 3.611 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.729 0.495 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.193 2.038 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.171 -1.097 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.104 -1.397 -1.377 1.00 0.00 H new ATOM 1530 N SER A 96 -10.449 4.536 -8.228 1.00 0.00 N ATOM 1531 CA SER A 96 -10.136 5.621 -9.153 1.00 0.00 C ATOM 1532 C SER A 96 -11.276 6.634 -9.217 1.00 0.00 C ATOM 1533 O SER A 96 -11.136 7.647 -9.896 1.00 0.00 O ATOM 1534 CB SER A 96 -9.770 5.129 -10.598 1.00 0.00 C ATOM 1535 OG SER A 96 -8.380 4.725 -10.957 1.00 0.00 O ATOM 0 H SER A 96 -10.792 3.670 -8.644 1.00 0.00 H new ATOM 0 HA SER A 96 -9.245 6.102 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.413 4.276 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.055 5.926 -11.285 1.00 0.00 H new ATOM 0 HG SER A 96 -8.192 3.837 -10.589 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.389 6.337 -8.505 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.446 7.325 -8.494 1.00 0.00 C ATOM 1543 C LYS A 97 -13.667 7.937 -7.167 1.00 0.00 C ATOM 1544 O LYS A 97 -14.015 9.108 -7.075 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.770 6.610 -8.952 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.786 6.153 -10.402 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.467 7.293 -11.340 1.00 0.00 C ATOM 1548 CE LYS A 97 -15.068 7.134 -12.735 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.733 8.261 -13.601 1.00 0.00 N ATOM 0 H LYS A 97 -12.557 5.483 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.154 8.134 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.937 5.744 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.606 7.290 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.061 5.351 -10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.766 5.742 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.830 8.223 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.385 7.385 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.705 6.210 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.152 7.046 -12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.159 8.117 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.102 9.140 -13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.700 8.330 -13.697 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.521 7.091 -6.172 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.670 7.512 -4.791 1.00 0.00 C ATOM 1565 C LYS A 98 -12.808 6.586 -3.917 1.00 0.00 C ATOM 1566 O LYS A 98 -12.744 5.378 -4.098 1.00 0.00 O ATOM 1567 CB LYS A 98 -15.116 7.601 -4.369 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.632 6.176 -4.092 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.789 5.781 -2.673 1.00 0.00 C ATOM 1570 CE LYS A 98 -16.525 6.768 -1.852 1.00 0.00 C ATOM 1571 NZ LYS A 98 -17.133 6.093 -0.726 1.00 0.00 N ATOM 0 H LYS A 98 -13.298 6.103 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.309 8.533 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.213 8.219 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.710 8.074 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.598 6.064 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.950 5.471 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.311 4.825 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.802 5.626 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.846 7.546 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.290 7.260 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.154 6.289 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.978 5.068 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.704 6.436 0.157 1.00 0.00 H new ATOM 1585 N GLY A 99 -12.164 7.241 -2.946 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.287 6.522 -2.035 1.00 0.00 C ATOM 1587 C GLY A 99 -12.022 5.578 -1.098 1.00 0.00 C ATOM 1588 O GLY A 99 -11.605 4.447 -0.929 1.00 0.00 O ATOM 0 H GLY A 99 -12.234 8.245 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.562 5.952 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.724 7.243 -1.442 1.00 0.00 H new ATOM 1592 N ASP A 100 -13.101 6.084 -0.480 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.926 5.337 0.462 1.00 0.00 C ATOM 1594 C ASP A 100 -13.326 5.206 1.890 1.00 0.00 C ATOM 1595 O ASP A 100 -14.017 5.232 2.902 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.400 4.021 -0.197 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.652 3.357 0.441 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.846 3.394 1.661 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.436 2.818 -0.332 1.00 0.00 O ATOM 0 H ASP A 100 -13.424 7.040 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.820 5.923 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.613 4.219 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.578 3.306 -0.168 1.00 0.00 H new ATOM 1604 N GLY A 101 -12.001 5.107 1.872 1.00 0.00 N ATOM 1605 CA GLY A 101 -11.229 4.985 3.101 1.00 0.00 C ATOM 1606 C GLY A 101 -9.715 4.864 2.895 1.00 0.00 C ATOM 1607 O GLY A 101 -9.024 4.372 3.778 1.00 0.00 O ATOM 0 H GLY A 101 -11.441 5.109 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.429 5.854 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.579 4.110 3.649 1.00 0.00 H new ATOM 1611 N LEU A 102 -9.224 5.300 1.707 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.775 5.219 1.489 1.00 0.00 C ATOM 1613 C LEU A 102 -7.060 6.539 1.853 1.00 0.00 C ATOM 1614 O LEU A 102 -5.853 6.609 1.735 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.471 4.949 0.000 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.772 3.535 -0.532 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -7.063 3.336 -1.886 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -7.349 2.426 0.451 1.00 0.00 C ATOM 0 H LEU A 102 -9.774 5.685 0.939 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.415 4.412 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.039 5.663 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.415 5.158 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.852 3.455 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.275 2.336 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.425 4.077 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.987 3.454 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.585 1.451 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.277 2.492 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.886 2.549 1.392 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.794 7.552 2.362 1.00 0.00 N ATOM 1631 CA CYS A 103 -7.197 8.864 2.691 1.00 0.00 C ATOM 1632 C CYS A 103 -7.002 9.725 1.419 1.00 0.00 C ATOM 1633 O CYS A 103 -7.373 10.891 1.368 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.889 8.787 3.515 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.329 8.700 2.578 1.00 0.00 S ATOM 0 H CYS A 103 -8.794 7.487 2.553 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.921 9.351 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.846 9.661 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.946 7.911 4.161 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.318 7.622 1.852 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.412 9.072 0.398 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.154 9.661 -0.895 1.00 0.00 C ATOM 1643 C GLN A 104 -6.348 8.513 -1.863 1.00 0.00 C ATOM 1644 O GLN A 104 -5.598 7.548 -1.926 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.698 10.169 -0.953 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.500 11.519 -0.244 1.00 0.00 C ATOM 1647 CD GLN A 104 -5.132 12.668 -1.051 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.334 12.581 -2.255 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.437 13.745 -0.316 1.00 0.00 N ATOM 0 H GLN A 104 -6.102 8.103 0.469 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.800 10.510 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.042 9.427 -0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.395 10.265 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.946 11.480 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.435 11.709 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.241 13.751 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.865 14.559 -0.757 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.438 8.733 -2.604 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.888 7.824 -3.618 1.00 0.00 C ATOM 1660 C LYS A 105 -6.899 7.848 -4.790 1.00 0.00 C ATOM 1661 O LYS A 105 -6.042 8.710 -4.931 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.334 8.136 -4.022 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.587 9.118 -5.166 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.713 10.540 -4.748 1.00 0.00 C ATOM 1665 CE LYS A 105 -11.071 11.198 -4.704 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.310 12.040 -3.533 1.00 0.00 N ATOM 0 H LYS A 105 -8.026 9.560 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.907 6.804 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.813 7.193 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.847 8.519 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.772 9.036 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.500 8.824 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.280 10.624 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.088 11.131 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.193 11.805 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.836 10.422 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.265 12.449 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.229 11.465 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.607 12.806 -3.507 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.166 6.871 -5.651 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.377 6.647 -6.848 1.00 0.00 C ATOM 1682 C LEU A 106 -6.755 7.630 -7.959 1.00 0.00 C ATOM 1683 O LEU A 106 -7.893 7.664 -8.388 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.544 5.190 -7.281 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.200 4.180 -6.186 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.225 2.774 -6.788 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.847 4.481 -5.527 1.00 0.00 C ATOM 0 H LEU A 106 -7.937 6.214 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.324 6.830 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.574 5.031 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.910 5.003 -8.148 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.945 4.253 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.981 2.044 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.219 2.565 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.493 2.710 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.645 3.738 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.060 4.446 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.874 5.473 -5.077 1.00 0.00 H new ATOM 1699 N THR A 107 -5.772 8.462 -8.360 1.00 0.00 N ATOM 1700 CA THR A 107 -6.056 9.444 -9.399 1.00 0.00 C ATOM 1701 C THR A 107 -5.380 9.103 -10.750 1.00 0.00 C ATOM 1702 O THR A 107 -6.093 8.821 -11.707 1.00 0.00 O ATOM 1703 CB THR A 107 -5.546 10.847 -8.964 1.00 0.00 C ATOM 1704 OG1 THR A 107 -4.127 11.188 -9.082 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.890 11.147 -7.494 1.00 0.00 C ATOM 0 H THR A 107 -4.820 8.469 -7.994 1.00 0.00 H new ATOM 0 HA THR A 107 -7.137 9.435 -9.535 1.00 0.00 H new ATOM 0 HB THR A 107 -6.071 11.443 -9.711 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.984 12.105 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.517 12.136 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.971 11.119 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.425 10.399 -6.852 1.00 0.00 H new ATOM 1713 N LEU A 108 -4.009 9.148 -10.810 1.00 0.00 N ATOM 1714 CA LEU A 108 -3.319 8.872 -12.084 1.00 0.00 C ATOM 1715 C LEU A 108 -2.133 7.935 -11.842 1.00 0.00 C ATOM 1716 O LEU A 108 -1.389 8.158 -10.909 1.00 0.00 O ATOM 1717 CB LEU A 108 -2.812 10.130 -12.840 1.00 0.00 C ATOM 1718 CG LEU A 108 -3.969 10.901 -13.488 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -3.887 12.413 -13.265 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -4.043 10.545 -14.979 1.00 0.00 C ATOM 0 H LEU A 108 -3.398 9.364 -10.022 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.074 8.413 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.281 10.783 -12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.098 9.831 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.892 10.593 -12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.735 12.899 -13.749 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.909 12.625 -12.196 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.959 12.794 -13.691 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.864 11.091 -15.443 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.106 10.817 -15.465 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.211 9.474 -15.089 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.951 6.885 -12.697 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.850 5.934 -12.519 1.00 0.00 C ATOM 1734 C PRO A 109 0.483 6.428 -13.079 1.00 0.00 C ATOM 1735 O PRO A 109 0.957 6.039 -14.135 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.274 4.709 -13.349 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.408 5.169 -14.263 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.869 6.539 -13.768 1.00 0.00 C ATOM 0 HA PRO A 109 -0.690 5.752 -11.456 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.436 4.329 -13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.605 3.898 -12.700 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.067 5.229 -15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.232 4.456 -14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.837 7.278 -14.568 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.897 6.502 -13.409 1.00 0.00 H new ATOM 1746 N CYS A 110 1.087 7.229 -12.185 1.00 0.00 N ATOM 1747 CA CYS A 110 2.397 7.868 -12.357 1.00 0.00 C ATOM 1748 C CYS A 110 2.639 8.424 -13.788 1.00 0.00 C ATOM 1749 O CYS A 110 1.789 8.378 -14.669 1.00 0.00 O ATOM 1750 CB CYS A 110 3.481 6.862 -11.950 1.00 0.00 C ATOM 1751 SG CYS A 110 5.054 7.629 -11.486 1.00 0.00 S ATOM 0 H CYS A 110 0.657 7.456 -11.289 1.00 0.00 H new ATOM 0 HA CYS A 110 2.433 8.746 -11.713 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.116 6.268 -11.112 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.653 6.174 -12.777 1.00 0.00 H new ATOM 0 HG CYS A 110 5.907 6.705 -11.156 1.00 0.00 H new ATOM 1757 N VAL A 111 3.809 9.061 -13.926 1.00 0.00 N ATOM 1758 CA VAL A 111 4.222 9.546 -15.236 1.00 0.00 C ATOM 1759 C VAL A 111 4.793 8.350 -16.019 1.00 0.00 C ATOM 1760 O VAL A 111 5.547 7.556 -15.469 1.00 0.00 O ATOM 1761 CB VAL A 111 5.263 10.651 -15.098 1.00 0.00 C ATOM 1762 CG1 VAL A 111 6.544 10.146 -14.414 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.541 11.295 -16.468 1.00 0.00 C ATOM 0 H VAL A 111 4.465 9.246 -13.167 1.00 0.00 H new ATOM 0 HA VAL A 111 3.371 9.971 -15.768 1.00 0.00 H new ATOM 0 HB VAL A 111 4.860 11.425 -14.445 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.261 10.963 -14.335 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.303 9.777 -13.417 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.978 9.339 -15.005 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.286 12.083 -16.355 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.915 10.538 -17.157 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.619 11.722 -16.863 1.00 0.00 H new ATOM 1773 N ASN A 112 4.419 8.263 -17.310 1.00 0.00 N ATOM 1774 CA ASN A 112 4.938 7.166 -18.132 1.00 0.00 C ATOM 1775 C ASN A 112 6.099 7.716 -18.974 1.00 0.00 C ATOM 1776 O ASN A 112 5.948 8.075 -20.135 1.00 0.00 O ATOM 1777 CB ASN A 112 3.825 6.746 -19.108 1.00 0.00 C ATOM 1778 CG ASN A 112 2.613 6.164 -18.379 1.00 0.00 C ATOM 1779 OD1 ASN A 112 2.436 6.322 -17.181 1.00 0.00 O ATOM 1780 ND2 ASN A 112 1.792 5.464 -19.170 1.00 0.00 N ATOM 0 H ASN A 112 3.789 8.909 -17.785 1.00 0.00 H new ATOM 0 HA ASN A 112 5.260 6.331 -17.509 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.514 7.609 -19.696 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.216 6.008 -19.808 1.00 0.00 H new ATOM 0 HD21 ASN A 112 0.959 5.024 -18.779 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.999 5.371 -20.164 1.00 0.00 H new ATOM 1787 N LEU A 113 7.268 7.710 -18.306 1.00 0.00 N ATOM 1788 CA LEU A 113 8.502 8.189 -18.913 1.00 0.00 C ATOM 1789 C LEU A 113 8.365 9.631 -19.462 1.00 0.00 C ATOM 1790 O LEU A 113 8.078 9.840 -20.634 1.00 0.00 O ATOM 1791 CB LEU A 113 8.966 7.215 -20.015 1.00 0.00 C ATOM 1792 CG LEU A 113 10.494 7.094 -20.092 1.00 0.00 C ATOM 1793 CD1 LEU A 113 11.195 8.459 -20.213 1.00 0.00 C ATOM 1794 CD2 LEU A 113 11.036 6.299 -18.892 1.00 0.00 C ATOM 0 H LEU A 113 7.373 7.377 -17.348 1.00 0.00 H new ATOM 0 HA LEU A 113 9.262 8.224 -18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.536 6.231 -19.829 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.583 7.553 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 113 10.723 6.548 -21.007 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.274 8.311 -20.264 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.855 8.964 -21.117 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.953 9.071 -19.344 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.121 6.224 -18.965 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.769 6.810 -17.967 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.603 5.299 -18.893 1.00 0.00 H new ATOM 1806 N ALA A 114 8.595 10.603 -18.556 1.00 0.00 N ATOM 1807 CA ALA A 114 8.503 12.002 -18.975 1.00 0.00 C ATOM 1808 C ALA A 114 9.627 12.359 -19.979 1.00 0.00 C ATOM 1809 O ALA A 114 10.777 11.987 -19.739 1.00 0.00 O ATOM 1810 CB ALA A 114 8.588 12.910 -17.745 1.00 0.00 C ATOM 1811 OXT ALA A 114 9.335 13.000 -20.988 1.00 0.00 O ATOM 0 H ALA A 114 8.834 10.451 -17.576 1.00 0.00 H new ATOM 0 HA ALA A 114 7.546 12.152 -19.475 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.520 13.952 -18.057 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.767 12.680 -17.065 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.538 12.745 -17.236 1.00 0.00 H new TER 1817 ALA A 114