USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 718 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 6 LYS NZ :NH3+ -174:sc= -0.046 (180deg=-0.0496) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -97:sc= 0.735 USER MOD Single : A 18 SER OG : rot 180:sc= 0.109 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0701 K(o=0.07,f=-1.4!) USER MOD Single : A 32 CYS SG : rot 128:sc= 0.0415 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 35 ASN :FLIP amide:sc= 0.84 F(o=0,f=0.84) USER MOD Single : A 37 TYR OH : rot 15:sc= -0.714 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.27) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 52 TYR OH : rot 143:sc= 0.0527 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.0127 (180deg=-0.244) USER MOD Single : A 58 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-10!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -100:sc= 0.0848 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.3) USER MOD Single : B 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0311) USER MOD Single : B 11 THR OG1 : rot 180:sc= -0.681 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 8.166 -7.991 -31.863 1.00 0.00 N ATOM 2 CA GLY A -8 7.950 -6.803 -32.843 1.00 0.00 C ATOM 3 C GLY A -8 7.774 -7.062 -34.273 1.00 0.00 C ATOM 4 O GLY A -8 7.010 -7.925 -34.668 1.00 0.00 O ATOM 0 H1 GLY A -8 8.272 -7.627 -30.894 1.00 0.00 H new ATOM 0 H2 GLY A -8 7.346 -8.629 -31.905 1.00 0.00 H new ATOM 0 H3 GLY A -8 9.025 -8.512 -32.133 1.00 0.00 H new ATOM 0 HA2 GLY A -8 7.072 -6.255 -32.501 1.00 0.00 H new ATOM 0 HA3 GLY A -8 8.804 -6.134 -32.736 1.00 0.00 H new ATOM 10 N SER A -7 8.473 -6.330 -35.111 1.00 0.00 N ATOM 11 CA SER A -7 8.350 -6.537 -36.589 1.00 0.00 C ATOM 12 C SER A -7 6.902 -6.290 -37.026 1.00 0.00 C ATOM 13 O SER A -7 6.066 -7.174 -36.961 1.00 0.00 O ATOM 14 CB SER A -7 8.753 -7.970 -36.944 1.00 0.00 C ATOM 15 OG SER A -7 8.856 -8.092 -38.358 1.00 0.00 O ATOM 0 H SER A -7 9.125 -5.596 -34.833 1.00 0.00 H new ATOM 0 HA SER A -7 9.008 -5.838 -37.105 1.00 0.00 H new ATOM 0 HB2 SER A -7 9.705 -8.219 -36.475 1.00 0.00 H new ATOM 0 HB3 SER A -7 8.015 -8.674 -36.559 1.00 0.00 H new ATOM 0 HG SER A -7 9.116 -9.008 -38.589 1.00 0.00 H new ATOM 21 N ARG A -6 6.603 -5.094 -37.471 1.00 0.00 N ATOM 22 CA ARG A -6 5.212 -4.779 -37.915 1.00 0.00 C ATOM 23 C ARG A -6 5.262 -3.960 -39.205 1.00 0.00 C ATOM 24 O ARG A -6 4.824 -4.402 -40.250 1.00 0.00 O ATOM 25 CB ARG A -6 4.500 -3.973 -36.827 1.00 0.00 C ATOM 26 CG ARG A -6 4.405 -4.808 -35.551 1.00 0.00 C ATOM 27 CD ARG A -6 4.008 -3.907 -34.379 1.00 0.00 C ATOM 28 NE ARG A -6 4.975 -2.778 -34.274 1.00 0.00 N ATOM 29 CZ ARG A -6 5.915 -2.808 -33.370 1.00 0.00 C ATOM 30 NH1 ARG A -6 6.725 -3.829 -33.303 1.00 0.00 N ATOM 31 NH2 ARG A -6 6.048 -1.815 -32.533 1.00 0.00 N ATOM 0 H ARG A -6 7.265 -4.321 -37.546 1.00 0.00 H new ATOM 0 HA ARG A -6 4.669 -5.707 -38.094 1.00 0.00 H new ATOM 0 HB2 ARG A -6 5.044 -3.049 -36.630 1.00 0.00 H new ATOM 0 HB3 ARG A -6 3.503 -3.690 -37.164 1.00 0.00 H new ATOM 0 HG2 ARG A -6 3.670 -5.603 -35.678 1.00 0.00 H new ATOM 0 HG3 ARG A -6 5.362 -5.289 -35.346 1.00 0.00 H new ATOM 0 HD2 ARG A -6 2.998 -3.523 -34.526 1.00 0.00 H new ATOM 0 HD3 ARG A -6 3.999 -4.480 -33.452 1.00 0.00 H new ATOM 0 HE ARG A -6 4.902 -1.983 -34.908 1.00 0.00 H new ATOM 0 HH11 ARG A -6 6.623 -4.604 -33.958 1.00 0.00 H new ATOM 0 HH12 ARG A -6 7.460 -3.852 -32.596 1.00 0.00 H new ATOM 0 HH21 ARG A -6 5.417 -1.015 -32.586 1.00 0.00 H new ATOM 0 HH22 ARG A -6 6.783 -1.839 -31.826 1.00 0.00 H new ATOM 45 N ARG A -5 5.793 -2.761 -39.137 1.00 0.00 N ATOM 46 CA ARG A -5 5.878 -1.896 -40.356 1.00 0.00 C ATOM 47 C ARG A -5 4.464 -1.627 -40.891 1.00 0.00 C ATOM 48 O ARG A -5 3.990 -2.306 -41.784 1.00 0.00 O ATOM 49 CB ARG A -5 6.722 -2.607 -41.434 1.00 0.00 C ATOM 50 CG ARG A -5 7.925 -1.735 -41.812 1.00 0.00 C ATOM 51 CD ARG A -5 8.970 -1.794 -40.696 1.00 0.00 C ATOM 52 NE ARG A -5 9.983 -2.840 -41.016 1.00 0.00 N ATOM 53 CZ ARG A -5 10.894 -2.611 -41.922 1.00 0.00 C ATOM 54 NH1 ARG A -5 11.839 -1.742 -41.690 1.00 0.00 N ATOM 55 NH2 ARG A -5 10.858 -3.249 -43.060 1.00 0.00 N ATOM 0 H ARG A -5 6.172 -2.344 -38.287 1.00 0.00 H new ATOM 0 HA ARG A -5 6.351 -0.948 -40.100 1.00 0.00 H new ATOM 0 HB2 ARG A -5 7.064 -3.573 -41.062 1.00 0.00 H new ATOM 0 HB3 ARG A -5 6.112 -2.803 -42.316 1.00 0.00 H new ATOM 0 HG2 ARG A -5 8.359 -2.082 -42.750 1.00 0.00 H new ATOM 0 HG3 ARG A -5 7.605 -0.705 -41.971 1.00 0.00 H new ATOM 0 HD2 ARG A -5 9.456 -0.824 -40.587 1.00 0.00 H new ATOM 0 HD3 ARG A -5 8.488 -2.018 -39.744 1.00 0.00 H new ATOM 0 HE ARG A -5 9.964 -3.735 -40.527 1.00 0.00 H new ATOM 0 HH11 ARG A -5 11.865 -1.242 -40.801 1.00 0.00 H new ATOM 0 HH12 ARG A -5 12.551 -1.562 -42.397 1.00 0.00 H new ATOM 0 HH21 ARG A -5 10.118 -3.927 -43.241 1.00 0.00 H new ATOM 0 HH22 ARG A -5 11.570 -3.070 -43.768 1.00 0.00 H new ATOM 69 N ALA A -4 3.792 -0.642 -40.346 1.00 0.00 N ATOM 70 CA ALA A -4 2.410 -0.323 -40.814 1.00 0.00 C ATOM 71 C ALA A -4 1.984 1.036 -40.252 1.00 0.00 C ATOM 72 O ALA A -4 2.727 1.681 -39.536 1.00 0.00 O ATOM 73 CB ALA A -4 1.445 -1.404 -40.324 1.00 0.00 C ATOM 0 H ALA A -4 4.143 -0.046 -39.597 1.00 0.00 H new ATOM 0 HA ALA A -4 2.392 -0.287 -41.903 1.00 0.00 H new ATOM 0 HB1 ALA A -4 0.436 -1.172 -40.665 1.00 0.00 H new ATOM 0 HB2 ALA A -4 1.750 -2.372 -40.723 1.00 0.00 H new ATOM 0 HB3 ALA A -4 1.461 -1.439 -39.235 1.00 0.00 H new ATOM 79 N SER A -3 0.789 1.473 -40.572 1.00 0.00 N ATOM 80 CA SER A -3 0.305 2.791 -40.060 1.00 0.00 C ATOM 81 C SER A -3 -0.488 2.576 -38.768 1.00 0.00 C ATOM 82 O SER A -3 -0.076 2.994 -37.701 1.00 0.00 O ATOM 83 CB SER A -3 -0.595 3.446 -41.109 1.00 0.00 C ATOM 84 OG SER A -3 -0.438 4.858 -41.049 1.00 0.00 O ATOM 0 H SER A -3 0.129 0.972 -41.166 1.00 0.00 H new ATOM 0 HA SER A -3 1.158 3.439 -39.859 1.00 0.00 H new ATOM 0 HB2 SER A -3 -0.338 3.082 -42.104 1.00 0.00 H new ATOM 0 HB3 SER A -3 -1.636 3.177 -40.931 1.00 0.00 H new ATOM 0 HG SER A -3 -1.013 5.280 -41.722 1.00 0.00 H new ATOM 90 N VAL A -2 -1.622 1.927 -38.858 1.00 0.00 N ATOM 91 CA VAL A -2 -2.449 1.676 -37.640 1.00 0.00 C ATOM 92 C VAL A -2 -2.766 0.183 -37.542 1.00 0.00 C ATOM 93 O VAL A -2 -2.945 -0.488 -38.544 1.00 0.00 O ATOM 94 CB VAL A -2 -3.755 2.472 -37.733 1.00 0.00 C ATOM 95 CG1 VAL A -2 -3.451 3.968 -37.653 1.00 0.00 C ATOM 96 CG2 VAL A -2 -4.449 2.166 -39.064 1.00 0.00 C ATOM 0 H VAL A -2 -2.011 1.559 -39.726 1.00 0.00 H new ATOM 0 HA VAL A -2 -1.897 1.991 -36.754 1.00 0.00 H new ATOM 0 HB VAL A -2 -4.408 2.189 -36.908 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -4.381 4.532 -37.719 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -2.959 4.189 -36.706 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -2.796 4.251 -38.477 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -5.378 2.733 -39.129 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -3.794 2.447 -39.889 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -4.670 1.100 -39.123 1.00 0.00 H new ATOM 106 N GLY A -1 -2.838 -0.346 -36.342 1.00 0.00 N ATOM 107 CA GLY A -1 -3.144 -1.797 -36.179 1.00 0.00 C ATOM 108 C GLY A -1 -2.816 -2.244 -34.756 1.00 0.00 C ATOM 109 O GLY A -1 -1.980 -3.104 -34.543 1.00 0.00 O ATOM 0 H GLY A -1 -2.698 0.167 -35.472 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -4.197 -1.981 -36.393 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -2.566 -2.382 -36.895 1.00 0.00 H new ATOM 113 N SER A 0 -3.478 -1.674 -33.779 1.00 0.00 N ATOM 114 CA SER A 0 -3.219 -2.072 -32.359 1.00 0.00 C ATOM 115 C SER A 0 -4.072 -3.290 -32.024 1.00 0.00 C ATOM 116 O SER A 0 -4.925 -3.687 -32.793 1.00 0.00 O ATOM 117 CB SER A 0 -3.594 -0.924 -31.410 1.00 0.00 C ATOM 118 OG SER A 0 -4.646 -0.156 -31.984 1.00 0.00 O ATOM 0 H SER A 0 -4.186 -0.951 -33.903 1.00 0.00 H new ATOM 0 HA SER A 0 -2.161 -2.304 -32.239 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.906 -1.323 -30.445 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.726 -0.291 -31.227 1.00 0.00 H new ATOM 0 HG SER A 0 -4.886 0.575 -31.377 1.00 0.00 H new ATOM 124 N MET A 1 -3.859 -3.874 -30.875 1.00 0.00 N ATOM 125 CA MET A 1 -4.669 -5.056 -30.465 1.00 0.00 C ATOM 126 C MET A 1 -5.457 -4.709 -29.228 1.00 0.00 C ATOM 127 O MET A 1 -5.381 -3.599 -28.728 1.00 0.00 O ATOM 128 CB MET A 1 -3.761 -6.244 -30.162 1.00 0.00 C ATOM 129 CG MET A 1 -3.557 -7.053 -31.429 1.00 0.00 C ATOM 130 SD MET A 1 -2.033 -8.019 -31.295 1.00 0.00 S ATOM 131 CE MET A 1 -2.626 -9.497 -32.152 1.00 0.00 C ATOM 0 H MET A 1 -3.154 -3.580 -30.199 1.00 0.00 H new ATOM 0 HA MET A 1 -5.343 -5.324 -31.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.801 -5.895 -29.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.205 -6.867 -29.386 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.407 -7.716 -31.589 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.504 -6.389 -32.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.831 -10.241 -32.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.484 -9.907 -31.619 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.921 -9.235 -33.168 1.00 0.00 H new ATOM 141 N GLU A 2 -6.209 -5.647 -28.713 1.00 0.00 N ATOM 142 CA GLU A 2 -6.982 -5.383 -27.514 1.00 0.00 C ATOM 143 C GLU A 2 -6.590 -6.422 -26.494 1.00 0.00 C ATOM 144 O GLU A 2 -5.819 -7.323 -26.778 1.00 0.00 O ATOM 145 CB GLU A 2 -8.472 -5.501 -27.841 1.00 0.00 C ATOM 146 CG GLU A 2 -9.211 -4.241 -27.380 1.00 0.00 C ATOM 147 CD GLU A 2 -10.603 -4.203 -28.014 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.450 -4.969 -27.584 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.799 -3.408 -28.918 1.00 0.00 O ATOM 0 H GLU A 2 -6.306 -6.588 -29.093 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.791 -4.381 -27.130 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.607 -5.640 -28.914 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.892 -6.379 -27.350 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.295 -4.233 -26.293 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.647 -3.352 -27.663 1.00 0.00 H new ATOM 156 N ALA A 3 -7.103 -6.307 -25.326 1.00 0.00 N ATOM 157 CA ALA A 3 -6.769 -7.291 -24.271 1.00 0.00 C ATOM 158 C ALA A 3 -7.839 -7.309 -23.188 1.00 0.00 C ATOM 159 O ALA A 3 -8.064 -6.348 -22.495 1.00 0.00 O ATOM 160 CB ALA A 3 -5.431 -6.945 -23.691 1.00 0.00 C ATOM 0 H ALA A 3 -7.748 -5.569 -25.043 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.729 -8.289 -24.707 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.175 -7.664 -22.913 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.675 -6.976 -24.476 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.468 -5.944 -23.262 1.00 0.00 H new ATOM 166 N ILE A 4 -8.505 -8.410 -23.067 1.00 0.00 N ATOM 167 CA ILE A 4 -9.601 -8.548 -22.070 1.00 0.00 C ATOM 168 C ILE A 4 -9.109 -8.344 -20.658 1.00 0.00 C ATOM 169 O ILE A 4 -8.295 -9.088 -20.159 1.00 0.00 O ATOM 170 CB ILE A 4 -10.209 -9.936 -22.183 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.298 -10.128 -21.108 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.136 -10.996 -22.008 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.510 -10.735 -21.744 1.00 0.00 C ATOM 0 H ILE A 4 -8.336 -9.245 -23.629 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.344 -7.779 -22.284 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.656 -10.037 -23.172 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.929 -10.772 -20.310 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.551 -9.170 -20.653 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.585 -11.986 -22.091 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.377 -10.876 -22.781 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.675 -10.888 -21.026 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.285 -10.874 -20.990 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.880 -10.073 -22.527 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.248 -11.700 -22.178 1.00 0.00 H new ATOM 185 N ALA A 5 -9.678 -7.387 -19.998 1.00 0.00 N ATOM 186 CA ALA A 5 -9.323 -7.156 -18.557 1.00 0.00 C ATOM 187 C ALA A 5 -9.993 -8.267 -17.737 1.00 0.00 C ATOM 188 O ALA A 5 -11.175 -8.216 -17.456 1.00 0.00 O ATOM 189 CB ALA A 5 -9.847 -5.803 -18.077 1.00 0.00 C ATOM 0 H ALA A 5 -10.374 -6.748 -20.382 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.239 -7.164 -18.439 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.577 -5.659 -17.031 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.406 -5.008 -18.678 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.932 -5.776 -18.179 1.00 0.00 H new ATOM 195 N LYS A 6 -9.253 -9.280 -17.383 1.00 0.00 N ATOM 196 CA LYS A 6 -9.834 -10.423 -16.613 1.00 0.00 C ATOM 197 C LYS A 6 -10.452 -9.936 -15.293 1.00 0.00 C ATOM 198 O LYS A 6 -11.385 -10.530 -14.783 1.00 0.00 O ATOM 199 CB LYS A 6 -8.724 -11.429 -16.305 1.00 0.00 C ATOM 200 CG LYS A 6 -8.132 -11.940 -17.613 1.00 0.00 C ATOM 201 CD LYS A 6 -6.736 -12.521 -17.363 1.00 0.00 C ATOM 202 CE LYS A 6 -6.846 -14.023 -17.082 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.836 -14.259 -15.612 1.00 0.00 N ATOM 0 H LYS A 6 -8.259 -9.369 -17.595 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.617 -10.888 -17.212 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.948 -10.959 -15.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.122 -12.260 -15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.781 -12.703 -18.042 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.073 -11.128 -18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.099 -12.349 -18.231 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.267 -12.016 -16.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.764 -14.418 -17.518 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.017 -14.553 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.808 -15.282 -15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.998 -13.807 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.695 -13.853 -15.189 1.00 0.00 H new ATOM 217 N TYR A 7 -9.932 -8.872 -14.731 1.00 0.00 N ATOM 218 CA TYR A 7 -10.486 -8.356 -13.430 1.00 0.00 C ATOM 219 C TYR A 7 -10.378 -6.853 -13.397 1.00 0.00 C ATOM 220 O TYR A 7 -10.014 -6.216 -14.370 1.00 0.00 O ATOM 221 CB TYR A 7 -9.701 -8.923 -12.228 1.00 0.00 C ATOM 222 CG TYR A 7 -9.416 -10.390 -12.409 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.417 -10.790 -13.289 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.139 -11.343 -11.687 1.00 0.00 C ATOM 225 CE1 TYR A 7 -8.132 -12.142 -13.460 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.857 -12.705 -11.853 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.851 -13.106 -12.741 1.00 0.00 C ATOM 228 OH TYR A 7 -8.570 -14.447 -12.909 1.00 0.00 O ATOM 0 H TYR A 7 -9.151 -8.337 -15.111 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.527 -8.671 -13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.764 -8.379 -12.113 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.272 -8.771 -11.312 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.860 -10.049 -13.842 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.914 -11.030 -11.002 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.357 -12.448 -14.147 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.414 -13.445 -11.297 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.160 -14.979 -12.335 1.00 0.00 H new ATOM 238 N ASP A 8 -10.704 -6.283 -12.278 1.00 0.00 N ATOM 239 CA ASP A 8 -10.645 -4.827 -12.135 1.00 0.00 C ATOM 240 C ASP A 8 -9.258 -4.411 -11.626 1.00 0.00 C ATOM 241 O ASP A 8 -8.498 -5.217 -11.124 1.00 0.00 O ATOM 242 CB ASP A 8 -11.749 -4.401 -11.174 1.00 0.00 C ATOM 243 CG ASP A 8 -11.457 -4.901 -9.751 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.822 -6.027 -9.454 1.00 0.00 O ATOM 245 OD2 ASP A 8 -10.877 -4.149 -8.986 1.00 0.00 O ATOM 0 H ASP A 8 -11.014 -6.783 -11.445 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.799 -4.334 -13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.836 -3.314 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.706 -4.797 -11.514 1.00 0.00 H new ATOM 250 N PHE A 9 -8.930 -3.162 -11.781 1.00 0.00 N ATOM 251 CA PHE A 9 -7.610 -2.653 -11.353 1.00 0.00 C ATOM 252 C PHE A 9 -7.610 -1.124 -11.599 1.00 0.00 C ATOM 253 O PHE A 9 -8.367 -0.637 -12.420 1.00 0.00 O ATOM 254 CB PHE A 9 -6.539 -3.342 -12.203 1.00 0.00 C ATOM 255 CG PHE A 9 -5.188 -2.783 -11.893 1.00 0.00 C ATOM 256 CD1 PHE A 9 -4.784 -1.611 -12.510 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.343 -3.443 -11.004 1.00 0.00 C ATOM 258 CE1 PHE A 9 -3.518 -1.079 -12.243 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.074 -2.921 -10.729 1.00 0.00 C ATOM 260 CZ PHE A 9 -2.660 -1.736 -11.351 1.00 0.00 C ATOM 0 H PHE A 9 -9.540 -2.459 -12.197 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.407 -2.855 -10.301 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.548 -4.415 -12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.762 -3.205 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.447 -1.107 -13.198 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.667 -4.357 -10.527 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.203 -0.164 -12.723 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.416 -3.430 -10.040 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.681 -1.330 -11.143 1.00 0.00 H new ATOM 270 N LYS A 10 -6.796 -0.367 -10.897 1.00 0.00 N ATOM 271 CA LYS A 10 -6.797 1.125 -11.111 1.00 0.00 C ATOM 272 C LYS A 10 -5.404 1.623 -11.405 1.00 0.00 C ATOM 273 O LYS A 10 -4.423 1.107 -10.908 1.00 0.00 O ATOM 274 CB LYS A 10 -7.351 1.824 -9.856 1.00 0.00 C ATOM 275 CG LYS A 10 -8.772 2.325 -10.127 1.00 0.00 C ATOM 276 CD LYS A 10 -9.136 3.402 -9.105 1.00 0.00 C ATOM 277 CE LYS A 10 -8.492 4.729 -9.509 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.147 5.842 -8.768 1.00 0.00 N ATOM 0 H LYS A 10 -6.139 -0.708 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.431 1.356 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.354 1.132 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.707 2.659 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.840 2.729 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.479 1.497 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.219 3.514 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.794 3.107 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.425 4.710 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.594 4.883 -10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.710 6.745 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.161 5.864 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.028 5.696 -7.745 1.00 0.00 H new ATOM 292 N ALA A 11 -5.316 2.644 -12.226 1.00 0.00 N ATOM 293 CA ALA A 11 -3.993 3.207 -12.588 1.00 0.00 C ATOM 294 C ALA A 11 -3.234 3.601 -11.307 1.00 0.00 C ATOM 295 O ALA A 11 -3.777 4.266 -10.441 1.00 0.00 O ATOM 296 CB ALA A 11 -4.171 4.441 -13.463 1.00 0.00 C ATOM 0 H ALA A 11 -6.114 3.108 -12.659 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.427 2.455 -13.138 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.193 4.847 -13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.704 4.168 -14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.743 5.193 -12.919 1.00 0.00 H new ATOM 302 N THR A 12 -2.000 3.194 -11.177 1.00 0.00 N ATOM 303 CA THR A 12 -1.220 3.539 -9.945 1.00 0.00 C ATOM 304 C THR A 12 -0.079 4.488 -10.305 1.00 0.00 C ATOM 305 O THR A 12 0.066 5.545 -9.718 1.00 0.00 O ATOM 306 CB THR A 12 -0.650 2.259 -9.327 1.00 0.00 C ATOM 307 OG1 THR A 12 0.227 1.632 -10.252 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.797 1.310 -8.982 1.00 0.00 C ATOM 0 H THR A 12 -1.496 2.638 -11.868 1.00 0.00 H new ATOM 0 HA THR A 12 -1.878 4.027 -9.226 1.00 0.00 H new ATOM 0 HB THR A 12 -0.097 2.507 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.254 0.925 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.395 0.398 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.466 1.792 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.350 1.062 -9.888 1.00 0.00 H new ATOM 316 N ALA A 13 0.727 4.123 -11.268 1.00 0.00 N ATOM 317 CA ALA A 13 1.856 5.002 -11.677 1.00 0.00 C ATOM 318 C ALA A 13 1.311 6.262 -12.291 1.00 0.00 C ATOM 319 O ALA A 13 0.117 6.419 -12.478 1.00 0.00 O ATOM 320 CB ALA A 13 2.731 4.283 -12.700 1.00 0.00 C ATOM 0 H ALA A 13 0.649 3.250 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 13 2.454 5.247 -10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.555 4.933 -12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.129 3.369 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.135 4.033 -13.577 1.00 0.00 H new ATOM 326 N ASP A 14 2.182 7.160 -12.600 1.00 0.00 N ATOM 327 CA ASP A 14 1.768 8.437 -13.203 1.00 0.00 C ATOM 328 C ASP A 14 1.370 8.236 -14.675 1.00 0.00 C ATOM 329 O ASP A 14 0.898 9.153 -15.323 1.00 0.00 O ATOM 330 CB ASP A 14 2.935 9.380 -13.094 1.00 0.00 C ATOM 331 CG ASP A 14 2.432 10.823 -13.082 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.473 11.090 -12.377 1.00 0.00 O ATOM 333 OD2 ASP A 14 3.014 11.638 -13.777 1.00 0.00 O ATOM 0 H ASP A 14 3.187 7.061 -12.457 1.00 0.00 H new ATOM 0 HA ASP A 14 0.898 8.842 -12.686 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.498 9.173 -12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.616 9.229 -13.931 1.00 0.00 H new ATOM 338 N ASP A 15 1.542 7.041 -15.203 1.00 0.00 N ATOM 339 CA ASP A 15 1.171 6.777 -16.591 1.00 0.00 C ATOM 340 C ASP A 15 0.500 5.407 -16.670 1.00 0.00 C ATOM 341 O ASP A 15 0.637 4.696 -17.647 1.00 0.00 O ATOM 342 CB ASP A 15 2.421 6.798 -17.469 1.00 0.00 C ATOM 343 CG ASP A 15 2.634 8.208 -18.024 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.065 8.507 -19.062 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.361 8.965 -17.402 1.00 0.00 O ATOM 0 H ASP A 15 1.931 6.241 -14.704 1.00 0.00 H new ATOM 0 HA ASP A 15 0.481 7.543 -16.944 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.291 6.489 -16.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.315 6.086 -18.288 1.00 0.00 H new ATOM 350 N GLU A 16 -0.223 5.031 -15.638 1.00 0.00 N ATOM 351 CA GLU A 16 -0.904 3.706 -15.639 1.00 0.00 C ATOM 352 C GLU A 16 -2.354 3.880 -16.104 1.00 0.00 C ATOM 353 O GLU A 16 -2.818 4.987 -16.306 1.00 0.00 O ATOM 354 CB GLU A 16 -0.865 3.122 -14.227 1.00 0.00 C ATOM 355 CG GLU A 16 -1.058 1.610 -14.297 1.00 0.00 C ATOM 356 CD GLU A 16 -0.300 0.939 -13.147 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.916 0.877 -13.220 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.950 0.498 -12.215 1.00 0.00 O ATOM 0 H GLU A 16 -0.367 5.590 -14.797 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.395 3.024 -16.321 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.087 3.356 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.647 3.571 -13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.119 1.366 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.697 1.231 -15.253 1.00 0.00 H new ATOM 365 N LEU A 17 -3.063 2.793 -16.296 1.00 0.00 N ATOM 366 CA LEU A 17 -4.477 2.888 -16.773 1.00 0.00 C ATOM 367 C LEU A 17 -5.444 2.323 -15.732 1.00 0.00 C ATOM 368 O LEU A 17 -5.141 1.382 -15.025 1.00 0.00 O ATOM 369 CB LEU A 17 -4.621 2.099 -18.090 1.00 0.00 C ATOM 370 CG LEU A 17 -5.448 2.898 -19.105 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.290 2.270 -20.501 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.929 2.882 -18.701 1.00 0.00 C ATOM 0 H LEU A 17 -2.722 1.844 -16.142 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.721 3.938 -16.935 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.635 1.885 -18.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.100 1.139 -17.896 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.094 3.929 -19.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.877 2.837 -21.224 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.240 2.289 -20.792 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.641 1.238 -20.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.510 3.451 -19.426 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.288 1.853 -18.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.042 3.330 -17.714 1.00 0.00 H new ATOM 384 N SER A 18 -6.619 2.903 -15.649 1.00 0.00 N ATOM 385 CA SER A 18 -7.633 2.433 -14.685 1.00 0.00 C ATOM 386 C SER A 18 -8.768 1.738 -15.439 1.00 0.00 C ATOM 387 O SER A 18 -9.461 2.351 -16.233 1.00 0.00 O ATOM 388 CB SER A 18 -8.185 3.619 -13.953 1.00 0.00 C ATOM 389 OG SER A 18 -7.166 4.598 -13.777 1.00 0.00 O ATOM 0 H SER A 18 -6.911 3.694 -16.223 1.00 0.00 H new ATOM 0 HA SER A 18 -7.181 1.733 -13.982 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.019 4.046 -14.511 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.575 3.309 -12.983 1.00 0.00 H new ATOM 0 HG SER A 18 -7.534 5.371 -13.300 1.00 0.00 H new ATOM 395 N PHE A 19 -8.971 0.469 -15.194 1.00 0.00 N ATOM 396 CA PHE A 19 -10.071 -0.263 -15.893 1.00 0.00 C ATOM 397 C PHE A 19 -10.791 -1.171 -14.898 1.00 0.00 C ATOM 398 O PHE A 19 -10.382 -1.301 -13.766 1.00 0.00 O ATOM 399 CB PHE A 19 -9.496 -1.096 -17.047 1.00 0.00 C ATOM 400 CG PHE A 19 -8.465 -2.078 -16.534 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.866 -3.342 -16.088 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.109 -1.727 -16.522 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.910 -4.257 -15.628 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.154 -2.642 -16.060 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.555 -3.907 -15.613 1.00 0.00 C ATOM 0 H PHE A 19 -8.424 -0.092 -14.541 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.781 0.456 -16.301 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.300 -1.634 -17.550 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.042 -0.437 -17.787 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.912 -3.612 -16.098 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.800 -0.752 -16.869 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.219 -5.233 -15.285 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.108 -2.372 -16.049 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.819 -4.612 -15.257 1.00 0.00 H new ATOM 415 N LYS A 20 -11.873 -1.780 -15.311 1.00 0.00 N ATOM 416 CA LYS A 20 -12.640 -2.666 -14.391 1.00 0.00 C ATOM 417 C LYS A 20 -12.667 -4.083 -14.939 1.00 0.00 C ATOM 418 O LYS A 20 -12.135 -4.367 -15.997 1.00 0.00 O ATOM 419 CB LYS A 20 -14.073 -2.160 -14.287 1.00 0.00 C ATOM 420 CG LYS A 20 -14.073 -0.700 -13.858 1.00 0.00 C ATOM 421 CD LYS A 20 -14.198 -0.610 -12.333 1.00 0.00 C ATOM 422 CE LYS A 20 -15.037 0.613 -11.959 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.174 1.828 -11.964 1.00 0.00 N ATOM 0 H LYS A 20 -12.258 -1.700 -16.252 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.162 -2.660 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.577 -2.266 -15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.629 -2.760 -13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.154 -0.214 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.900 -0.172 -14.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.662 -1.515 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.209 -0.538 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.858 0.734 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.482 0.474 -10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.744 2.660 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.405 1.711 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.769 1.962 -12.913 1.00 0.00 H new ATOM 437 N ARG A 21 -13.298 -4.970 -14.225 1.00 0.00 N ATOM 438 CA ARG A 21 -13.397 -6.377 -14.675 1.00 0.00 C ATOM 439 C ARG A 21 -14.343 -6.458 -15.872 1.00 0.00 C ATOM 440 O ARG A 21 -15.545 -6.309 -15.736 1.00 0.00 O ATOM 441 CB ARG A 21 -13.949 -7.198 -13.532 1.00 0.00 C ATOM 442 CG ARG A 21 -13.949 -8.674 -13.895 1.00 0.00 C ATOM 443 CD ARG A 21 -13.903 -9.480 -12.606 1.00 0.00 C ATOM 444 NE ARG A 21 -14.658 -10.751 -12.782 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.016 -11.883 -12.870 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.554 -12.284 -14.023 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.834 -12.615 -11.804 1.00 0.00 N ATOM 0 H ARG A 21 -13.755 -4.773 -13.335 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.418 -6.755 -14.970 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.349 -7.037 -12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.963 -6.874 -13.299 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.842 -8.924 -14.468 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.090 -8.911 -14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.869 -9.694 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.332 -8.901 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.677 -10.737 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.695 -11.712 -14.856 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.052 -13.169 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.194 -12.302 -10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.332 -13.500 -11.873 1.00 0.00 H new ATOM 461 N GLY A 22 -13.808 -6.681 -17.041 1.00 0.00 N ATOM 462 CA GLY A 22 -14.664 -6.760 -18.262 1.00 0.00 C ATOM 463 C GLY A 22 -14.390 -5.549 -19.172 1.00 0.00 C ATOM 464 O GLY A 22 -15.026 -5.385 -20.199 1.00 0.00 O ATOM 0 H GLY A 22 -12.810 -6.813 -17.205 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.459 -7.685 -18.801 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.716 -6.782 -17.978 1.00 0.00 H new ATOM 468 N ASP A 23 -13.444 -4.702 -18.808 1.00 0.00 N ATOM 469 CA ASP A 23 -13.127 -3.540 -19.626 1.00 0.00 C ATOM 470 C ASP A 23 -11.899 -3.863 -20.456 1.00 0.00 C ATOM 471 O ASP A 23 -10.777 -3.751 -19.992 1.00 0.00 O ATOM 472 CB ASP A 23 -12.841 -2.340 -18.722 1.00 0.00 C ATOM 473 CG ASP A 23 -13.673 -1.134 -19.172 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.812 -1.338 -19.557 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.156 -0.030 -19.123 1.00 0.00 O ATOM 0 H ASP A 23 -12.885 -4.793 -17.960 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.966 -3.296 -20.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.077 -2.589 -17.687 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.780 -2.093 -18.756 1.00 0.00 H new ATOM 480 N ILE A 24 -12.100 -4.271 -21.665 1.00 0.00 N ATOM 481 CA ILE A 24 -10.946 -4.620 -22.536 1.00 0.00 C ATOM 482 C ILE A 24 -10.185 -3.343 -22.883 1.00 0.00 C ATOM 483 O ILE A 24 -10.768 -2.309 -23.144 1.00 0.00 O ATOM 484 CB ILE A 24 -11.428 -5.341 -23.804 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.549 -6.359 -23.422 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.225 -6.073 -24.409 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.780 -7.382 -24.540 1.00 0.00 C ATOM 0 H ILE A 24 -13.018 -4.381 -22.097 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.278 -5.300 -22.008 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.836 -4.634 -24.527 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.274 -6.877 -22.503 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.476 -5.823 -23.220 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.535 -6.597 -25.313 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.447 -5.351 -24.656 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.837 -6.793 -23.688 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.566 -8.076 -24.242 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.079 -6.864 -25.451 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.859 -7.935 -24.723 1.00 0.00 H new ATOM 499 N LEU A 25 -8.882 -3.410 -22.851 1.00 0.00 N ATOM 500 CA LEU A 25 -8.046 -2.208 -23.134 1.00 0.00 C ATOM 501 C LEU A 25 -7.578 -2.217 -24.589 1.00 0.00 C ATOM 502 O LEU A 25 -7.605 -3.244 -25.258 1.00 0.00 O ATOM 503 CB LEU A 25 -6.804 -2.208 -22.206 1.00 0.00 C ATOM 504 CG LEU A 25 -7.182 -2.431 -20.706 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.412 -1.606 -20.314 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.463 -3.916 -20.443 1.00 0.00 C ATOM 0 H LEU A 25 -8.355 -4.257 -22.638 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.646 -1.316 -22.954 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.116 -2.991 -22.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.277 -1.259 -22.308 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.336 -2.105 -20.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.650 -1.783 -19.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.203 -0.547 -20.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.260 -1.900 -20.933 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.725 -4.057 -19.394 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.290 -4.247 -21.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.574 -4.501 -20.676 1.00 0.00 H new ATOM 518 N LYS A 26 -7.131 -1.077 -25.081 1.00 0.00 N ATOM 519 CA LYS A 26 -6.640 -1.006 -26.502 1.00 0.00 C ATOM 520 C LYS A 26 -5.112 -0.902 -26.494 1.00 0.00 C ATOM 521 O LYS A 26 -4.555 0.172 -26.381 1.00 0.00 O ATOM 522 CB LYS A 26 -7.239 0.226 -27.193 1.00 0.00 C ATOM 523 CG LYS A 26 -8.767 0.091 -27.246 1.00 0.00 C ATOM 524 CD LYS A 26 -9.281 0.581 -28.603 1.00 0.00 C ATOM 525 CE LYS A 26 -9.120 2.099 -28.692 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.199 2.662 -29.551 1.00 0.00 N ATOM 0 H LYS A 26 -7.086 -0.199 -24.563 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.945 -1.901 -27.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.962 1.131 -26.652 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.837 0.322 -28.201 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.056 -0.949 -27.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.221 0.671 -26.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.728 0.098 -29.409 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.329 0.308 -28.727 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.166 2.540 -27.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.143 2.348 -29.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.091 3.695 -29.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.135 2.250 -30.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.126 2.435 -29.137 1.00 0.00 H new ATOM 540 N VAL A 27 -4.427 -2.018 -26.595 1.00 0.00 N ATOM 541 CA VAL A 27 -2.931 -1.996 -26.557 1.00 0.00 C ATOM 542 C VAL A 27 -2.366 -1.063 -27.628 1.00 0.00 C ATOM 543 O VAL A 27 -2.426 -1.341 -28.811 1.00 0.00 O ATOM 544 CB VAL A 27 -2.381 -3.413 -26.760 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.858 -3.405 -26.567 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.011 -4.355 -25.728 1.00 0.00 C ATOM 0 H VAL A 27 -4.842 -2.944 -26.702 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.622 -1.622 -25.581 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.621 -3.753 -27.767 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.468 -4.412 -26.711 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.403 -2.732 -27.293 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.621 -3.065 -25.559 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.622 -5.363 -25.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.767 -4.010 -24.723 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.093 -4.363 -25.856 1.00 0.00 H new ATOM 556 N LEU A 28 -1.792 0.030 -27.203 1.00 0.00 N ATOM 557 CA LEU A 28 -1.180 0.990 -28.160 1.00 0.00 C ATOM 558 C LEU A 28 0.272 0.596 -28.353 1.00 0.00 C ATOM 559 O LEU A 28 0.845 0.790 -29.410 1.00 0.00 O ATOM 560 CB LEU A 28 -1.197 2.435 -27.607 1.00 0.00 C ATOM 561 CG LEU A 28 -2.478 2.728 -26.798 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.095 3.207 -25.386 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.284 3.823 -27.507 1.00 0.00 C ATOM 0 H LEU A 28 -1.721 0.300 -26.222 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.749 0.960 -29.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.324 2.591 -26.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.121 3.141 -28.434 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.078 1.821 -26.723 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.000 3.414 -24.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.517 2.432 -24.883 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.497 4.115 -25.460 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.190 4.033 -26.939 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.682 4.729 -27.579 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.553 3.486 -28.508 1.00 0.00 H new ATOM 575 N ASN A 29 0.889 0.054 -27.319 1.00 0.00 N ATOM 576 CA ASN A 29 2.324 -0.335 -27.439 1.00 0.00 C ATOM 577 C ASN A 29 2.707 -1.301 -26.319 1.00 0.00 C ATOM 578 O ASN A 29 1.891 -1.667 -25.494 1.00 0.00 O ATOM 579 CB ASN A 29 3.195 0.930 -27.346 1.00 0.00 C ATOM 580 CG ASN A 29 4.284 0.888 -28.422 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.334 0.312 -28.218 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.075 1.479 -29.567 1.00 0.00 N ATOM 0 H ASN A 29 0.460 -0.130 -26.412 1.00 0.00 H new ATOM 0 HA ASN A 29 2.483 -0.829 -28.397 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.577 1.819 -27.475 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.649 0.998 -26.358 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.793 1.457 -30.291 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.193 1.962 -29.738 1.00 0.00 H new ATOM 589 N GLU A 30 3.952 -1.712 -26.288 1.00 0.00 N ATOM 590 CA GLU A 30 4.414 -2.650 -25.227 1.00 0.00 C ATOM 591 C GLU A 30 5.661 -2.074 -24.557 1.00 0.00 C ATOM 592 O GLU A 30 6.715 -2.686 -24.533 1.00 0.00 O ATOM 593 CB GLU A 30 4.736 -4.014 -25.849 1.00 0.00 C ATOM 594 CG GLU A 30 3.442 -4.683 -26.314 1.00 0.00 C ATOM 595 CD GLU A 30 3.171 -4.311 -27.773 1.00 0.00 C ATOM 596 OE1 GLU A 30 4.061 -4.497 -28.586 1.00 0.00 O ATOM 597 OE2 GLU A 30 2.077 -3.848 -28.051 1.00 0.00 O ATOM 0 H GLU A 30 4.669 -1.434 -26.958 1.00 0.00 H new ATOM 0 HA GLU A 30 3.629 -2.778 -24.482 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.416 -3.889 -26.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.243 -4.647 -25.121 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.523 -5.765 -26.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.610 -4.365 -25.686 1.00 0.00 H new ATOM 604 N GLU A 31 5.536 -0.898 -24.008 1.00 0.00 N ATOM 605 CA GLU A 31 6.695 -0.254 -23.324 1.00 0.00 C ATOM 606 C GLU A 31 6.679 -0.641 -21.854 1.00 0.00 C ATOM 607 O GLU A 31 5.819 -1.378 -21.407 1.00 0.00 O ATOM 608 CB GLU A 31 6.586 1.268 -23.457 1.00 0.00 C ATOM 609 CG GLU A 31 7.035 1.691 -24.857 1.00 0.00 C ATOM 610 CD GLU A 31 8.525 2.032 -24.834 1.00 0.00 C ATOM 611 OE1 GLU A 31 9.318 1.121 -24.661 1.00 0.00 O ATOM 612 OE2 GLU A 31 8.848 3.198 -24.990 1.00 0.00 O ATOM 0 H GLU A 31 4.675 -0.351 -24.003 1.00 0.00 H new ATOM 0 HA GLU A 31 7.626 -0.588 -23.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.558 1.586 -23.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.204 1.755 -22.703 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.846 0.888 -25.569 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.459 2.554 -25.190 1.00 0.00 H new ATOM 619 N CYS A 32 7.628 -0.157 -21.094 1.00 0.00 N ATOM 620 CA CYS A 32 7.682 -0.500 -19.634 1.00 0.00 C ATOM 621 C CYS A 32 7.979 -1.984 -19.481 1.00 0.00 C ATOM 622 O CYS A 32 8.374 -2.650 -20.418 1.00 0.00 O ATOM 623 CB CYS A 32 6.329 -0.166 -18.966 1.00 0.00 C ATOM 624 SG CYS A 32 6.610 0.594 -17.343 1.00 0.00 S ATOM 0 H CYS A 32 8.371 0.462 -21.419 1.00 0.00 H new ATOM 0 HA CYS A 32 8.467 0.082 -19.152 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.758 0.512 -19.600 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.735 -1.073 -18.854 1.00 0.00 H new ATOM 0 HG CYS A 32 5.947 1.710 -17.266 1.00 0.00 H new ATOM 630 N ASP A 33 7.804 -2.494 -18.291 1.00 0.00 N ATOM 631 CA ASP A 33 8.074 -3.936 -17.995 1.00 0.00 C ATOM 632 C ASP A 33 7.538 -4.841 -19.080 1.00 0.00 C ATOM 633 O ASP A 33 6.729 -4.440 -19.900 1.00 0.00 O ATOM 634 CB ASP A 33 7.398 -4.312 -16.678 1.00 0.00 C ATOM 635 CG ASP A 33 8.197 -5.418 -15.987 1.00 0.00 C ATOM 636 OD1 ASP A 33 9.124 -5.089 -15.265 1.00 0.00 O ATOM 637 OD2 ASP A 33 7.869 -6.575 -16.192 1.00 0.00 O ATOM 0 H ASP A 33 7.476 -1.957 -17.488 1.00 0.00 H new ATOM 0 HA ASP A 33 9.154 -4.067 -17.936 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.332 -3.438 -16.030 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.378 -4.649 -16.864 1.00 0.00 H new ATOM 642 N GLN A 34 7.979 -6.070 -19.082 1.00 0.00 N ATOM 643 CA GLN A 34 7.495 -7.012 -20.100 1.00 0.00 C ATOM 644 C GLN A 34 6.263 -7.767 -19.570 1.00 0.00 C ATOM 645 O GLN A 34 5.881 -8.792 -20.104 1.00 0.00 O ATOM 646 CB GLN A 34 8.601 -8.006 -20.459 1.00 0.00 C ATOM 647 CG GLN A 34 9.690 -7.289 -21.257 1.00 0.00 C ATOM 648 CD GLN A 34 10.585 -8.323 -21.943 1.00 0.00 C ATOM 649 OE1 GLN A 34 10.723 -9.433 -21.470 1.00 0.00 O ATOM 650 NE2 GLN A 34 11.202 -8.002 -23.047 1.00 0.00 N ATOM 0 H GLN A 34 8.653 -6.451 -18.418 1.00 0.00 H new ATOM 0 HA GLN A 34 7.214 -6.456 -20.994 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.024 -8.439 -19.553 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.190 -8.829 -21.043 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.238 -6.633 -22.001 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.285 -6.659 -20.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.086 -7.070 -23.444 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.801 -8.684 -23.513 1.00 0.00 H new ATOM 659 N ASN A 35 5.638 -7.262 -18.526 1.00 0.00 N ATOM 660 CA ASN A 35 4.437 -7.941 -17.965 1.00 0.00 C ATOM 661 C ASN A 35 3.227 -7.027 -18.036 1.00 0.00 C ATOM 662 O ASN A 35 2.125 -7.488 -18.042 1.00 0.00 O ATOM 663 CB ASN A 35 4.698 -8.347 -16.514 1.00 0.00 C ATOM 664 CG ASN A 35 5.751 -9.459 -16.476 1.00 0.00 C ATOM 665 OD1 ASN A 35 5.374 -10.693 -16.280 1.00 0.00 O flip ATOM 666 ND2 ASN A 35 6.929 -9.201 -16.626 1.00 0.00 N flip ATOM 0 H ASN A 35 5.915 -6.407 -18.043 1.00 0.00 H new ATOM 0 HA ASN A 35 4.234 -8.834 -18.557 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.042 -7.486 -15.941 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.774 -8.691 -16.050 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.224 -8.237 -16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.622 -9.949 -16.599 1.00 0.00 H new ATOM 673 N TRP A 36 3.424 -5.747 -18.109 1.00 0.00 N ATOM 674 CA TRP A 36 2.248 -4.812 -18.209 1.00 0.00 C ATOM 675 C TRP A 36 2.205 -4.244 -19.641 1.00 0.00 C ATOM 676 O TRP A 36 3.223 -3.886 -20.204 1.00 0.00 O ATOM 677 CB TRP A 36 2.356 -3.644 -17.201 1.00 0.00 C ATOM 678 CG TRP A 36 2.575 -4.140 -15.780 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.557 -4.995 -15.385 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.838 -3.789 -14.551 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.457 -5.193 -14.020 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.429 -4.475 -13.463 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.726 -2.957 -14.272 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.953 -4.342 -12.158 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.249 -2.827 -12.949 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.867 -3.515 -11.900 1.00 0.00 C ATOM 0 H TRP A 36 4.339 -5.297 -18.105 1.00 0.00 H new ATOM 0 HA TRP A 36 1.339 -5.367 -17.976 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.180 -2.991 -17.489 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.446 -3.045 -17.240 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.295 -5.446 -16.032 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.077 -5.803 -13.488 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.241 -2.420 -15.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.428 -4.880 -11.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.600 -2.191 -12.746 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.500 -3.404 -10.890 1.00 0.00 H new ATOM 697 N TYR A 37 1.038 -4.182 -20.235 1.00 0.00 N ATOM 698 CA TYR A 37 0.918 -3.663 -21.638 1.00 0.00 C ATOM 699 C TYR A 37 0.525 -2.191 -21.649 1.00 0.00 C ATOM 700 O TYR A 37 -0.267 -1.752 -20.847 1.00 0.00 O ATOM 701 CB TYR A 37 -0.223 -4.378 -22.368 1.00 0.00 C ATOM 702 CG TYR A 37 0.036 -5.850 -22.542 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.279 -6.313 -22.983 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.002 -6.753 -22.288 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.483 -7.688 -23.166 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.804 -8.119 -22.473 1.00 0.00 C ATOM 707 CZ TYR A 37 0.439 -8.591 -22.912 1.00 0.00 C ATOM 708 OH TYR A 37 0.637 -9.945 -23.098 1.00 0.00 O ATOM 0 H TYR A 37 0.158 -4.470 -19.808 1.00 0.00 H new ATOM 0 HA TYR A 37 1.887 -3.824 -22.111 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.150 -4.239 -21.811 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.367 -3.920 -23.346 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.079 -5.615 -23.182 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.960 -6.389 -21.947 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.443 -8.052 -23.502 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.608 -8.813 -22.278 1.00 0.00 H new ATOM 0 HH TYR A 37 1.597 -10.128 -23.172 1.00 0.00 H new ATOM 718 N LYS A 38 0.991 -1.453 -22.623 1.00 0.00 N ATOM 719 CA LYS A 38 0.552 -0.041 -22.759 1.00 0.00 C ATOM 720 C LYS A 38 -0.746 -0.106 -23.553 1.00 0.00 C ATOM 721 O LYS A 38 -0.840 -0.854 -24.511 1.00 0.00 O ATOM 722 CB LYS A 38 1.586 0.775 -23.523 1.00 0.00 C ATOM 723 CG LYS A 38 1.168 2.244 -23.506 1.00 0.00 C ATOM 724 CD LYS A 38 1.549 2.910 -24.832 1.00 0.00 C ATOM 725 CE LYS A 38 2.405 4.144 -24.551 1.00 0.00 C ATOM 726 NZ LYS A 38 2.361 5.060 -25.726 1.00 0.00 N ATOM 0 H LYS A 38 1.656 -1.771 -23.328 1.00 0.00 H new ATOM 0 HA LYS A 38 0.424 0.436 -21.787 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.570 0.658 -23.068 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.665 0.417 -24.550 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.093 2.323 -23.345 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.653 2.760 -22.677 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.098 2.208 -25.460 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.651 3.194 -25.381 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.039 4.658 -23.662 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.434 3.847 -24.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.944 5.900 -25.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.730 4.567 -26.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.379 5.353 -25.901 1.00 0.00 H new ATOM 740 N ALA A 39 -1.759 0.610 -23.154 1.00 0.00 N ATOM 741 CA ALA A 39 -3.064 0.516 -23.882 1.00 0.00 C ATOM 742 C ALA A 39 -3.939 1.660 -23.557 1.00 0.00 C ATOM 743 O ALA A 39 -3.511 2.626 -22.969 1.00 0.00 O ATOM 744 CB ALA A 39 -3.732 -0.783 -23.487 1.00 0.00 C ATOM 0 H ALA A 39 -1.745 1.253 -22.362 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.883 0.539 -24.957 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.686 -0.874 -24.006 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.090 -1.620 -23.760 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.902 -0.792 -22.410 1.00 0.00 H new ATOM 750 N GLU A 40 -5.161 1.596 -23.997 1.00 0.00 N ATOM 751 CA GLU A 40 -6.046 2.731 -23.764 1.00 0.00 C ATOM 752 C GLU A 40 -7.526 2.365 -23.842 1.00 0.00 C ATOM 753 O GLU A 40 -7.993 1.693 -24.738 1.00 0.00 O ATOM 754 CB GLU A 40 -5.628 3.818 -24.773 1.00 0.00 C ATOM 755 CG GLU A 40 -6.793 4.382 -25.619 1.00 0.00 C ATOM 756 CD GLU A 40 -6.242 5.092 -26.858 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.942 4.408 -27.822 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.139 6.305 -26.826 1.00 0.00 O ATOM 0 H GLU A 40 -5.569 0.809 -24.501 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.939 3.100 -22.744 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.157 4.638 -24.231 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.874 3.405 -25.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.460 3.574 -25.919 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.383 5.078 -25.023 1.00 0.00 H new ATOM 765 N LEU A 41 -8.245 2.872 -22.909 1.00 0.00 N ATOM 766 CA LEU A 41 -9.725 2.648 -22.862 1.00 0.00 C ATOM 767 C LEU A 41 -10.476 3.776 -23.469 1.00 0.00 C ATOM 768 O LEU A 41 -10.823 4.747 -22.832 1.00 0.00 O ATOM 769 CB LEU A 41 -10.215 2.423 -21.444 1.00 0.00 C ATOM 770 CG LEU A 41 -10.173 0.952 -21.167 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.170 0.717 -19.657 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.411 0.315 -21.795 1.00 0.00 C ATOM 0 H LEU A 41 -7.878 3.448 -22.151 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.914 1.748 -23.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.588 2.962 -20.734 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.229 2.804 -21.327 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.271 0.509 -21.589 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.139 -0.354 -19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.295 1.194 -19.216 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.074 1.143 -19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.403 -0.759 -21.606 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.308 0.754 -21.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.407 0.495 -22.870 1.00 0.00 H new ATOM 784 N ASN A 42 -10.788 3.598 -24.698 1.00 0.00 N ATOM 785 CA ASN A 42 -11.602 4.586 -25.460 1.00 0.00 C ATOM 786 C ASN A 42 -11.244 6.063 -25.156 1.00 0.00 C ATOM 787 O ASN A 42 -12.077 6.942 -25.309 1.00 0.00 O ATOM 788 CB ASN A 42 -13.048 4.368 -25.088 1.00 0.00 C ATOM 789 CG ASN A 42 -13.688 3.353 -26.039 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.578 3.478 -27.243 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.354 2.344 -25.546 1.00 0.00 N ATOM 0 H ASN A 42 -10.508 2.781 -25.240 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.401 4.425 -26.519 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.117 4.010 -24.061 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.590 5.313 -25.133 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.782 1.661 -26.171 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.446 2.239 -24.536 1.00 0.00 H new ATOM 798 N GLY A 43 -10.053 6.340 -24.730 1.00 0.00 N ATOM 799 CA GLY A 43 -9.685 7.759 -24.417 1.00 0.00 C ATOM 800 C GLY A 43 -8.583 7.777 -23.370 1.00 0.00 C ATOM 801 O GLY A 43 -7.605 8.495 -23.502 1.00 0.00 O ATOM 0 H GLY A 43 -9.312 5.655 -24.582 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.351 8.267 -25.321 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.558 8.300 -24.051 1.00 0.00 H new ATOM 805 N LYS A 44 -8.705 6.961 -22.343 1.00 0.00 N ATOM 806 CA LYS A 44 -7.667 6.898 -21.335 1.00 0.00 C ATOM 807 C LYS A 44 -6.595 6.040 -21.871 1.00 0.00 C ATOM 808 O LYS A 44 -6.794 5.300 -22.816 1.00 0.00 O ATOM 809 CB LYS A 44 -8.184 6.310 -20.035 1.00 0.00 C ATOM 810 CG LYS A 44 -8.704 7.436 -19.153 1.00 0.00 C ATOM 811 CD LYS A 44 -9.930 8.097 -19.799 1.00 0.00 C ATOM 812 CE LYS A 44 -11.045 7.061 -19.971 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.305 7.749 -20.368 1.00 0.00 N ATOM 0 H LYS A 44 -9.500 6.341 -22.185 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.309 7.904 -21.115 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.979 5.592 -20.237 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.388 5.769 -19.524 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.969 7.045 -18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.921 8.178 -19.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.280 8.922 -19.178 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.660 8.519 -20.767 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.763 6.330 -20.729 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.195 6.514 -19.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.062 7.046 -20.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.576 8.430 -19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.158 8.252 -21.266 1.00 0.00 H new ATOM 827 N ASP A 45 -5.461 6.144 -21.313 1.00 0.00 N ATOM 828 CA ASP A 45 -4.338 5.361 -21.794 1.00 0.00 C ATOM 829 C ASP A 45 -3.384 5.030 -20.636 1.00 0.00 C ATOM 830 O ASP A 45 -3.552 5.498 -19.525 1.00 0.00 O ATOM 831 CB ASP A 45 -3.570 6.178 -22.837 1.00 0.00 C ATOM 832 CG ASP A 45 -4.511 6.933 -23.795 1.00 0.00 C ATOM 833 OD1 ASP A 45 -5.181 7.846 -23.342 1.00 0.00 O ATOM 834 OD2 ASP A 45 -4.530 6.592 -24.965 1.00 0.00 O ATOM 0 H ASP A 45 -5.256 6.755 -20.522 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.714 4.436 -22.230 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.921 6.892 -22.330 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.925 5.514 -23.413 1.00 0.00 H new ATOM 839 N GLY A 46 -2.359 4.253 -20.911 1.00 0.00 N ATOM 840 CA GLY A 46 -1.355 3.916 -19.857 1.00 0.00 C ATOM 841 C GLY A 46 -1.143 2.404 -19.731 1.00 0.00 C ATOM 842 O GLY A 46 -1.889 1.605 -20.252 1.00 0.00 O ATOM 0 H GLY A 46 -2.178 3.838 -21.825 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.406 4.397 -20.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.686 4.317 -18.899 1.00 0.00 H new ATOM 846 N PHE A 47 -0.100 2.028 -19.036 1.00 0.00 N ATOM 847 CA PHE A 47 0.242 0.584 -18.857 1.00 0.00 C ATOM 848 C PHE A 47 -0.814 -0.134 -18.026 1.00 0.00 C ATOM 849 O PHE A 47 -1.583 0.479 -17.325 1.00 0.00 O ATOM 850 CB PHE A 47 1.579 0.489 -18.124 1.00 0.00 C ATOM 851 CG PHE A 47 2.640 1.215 -18.913 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.939 0.811 -20.219 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.324 2.293 -18.340 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.922 1.486 -20.952 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.308 2.969 -19.072 1.00 0.00 C ATOM 856 CZ PHE A 47 4.606 2.566 -20.378 1.00 0.00 C ATOM 0 H PHE A 47 0.542 2.674 -18.576 1.00 0.00 H new ATOM 0 HA PHE A 47 0.293 0.115 -19.839 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.491 0.923 -17.128 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.860 -0.556 -17.993 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.412 -0.021 -20.661 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.093 2.604 -17.332 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.153 1.174 -21.960 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.836 3.800 -18.629 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.364 3.087 -20.944 1.00 0.00 H new ATOM 866 N ILE A 48 -0.833 -1.446 -18.084 1.00 0.00 N ATOM 867 CA ILE A 48 -1.808 -2.220 -17.280 1.00 0.00 C ATOM 868 C ILE A 48 -1.175 -3.593 -16.978 1.00 0.00 C ATOM 869 O ILE A 48 -0.532 -4.146 -17.829 1.00 0.00 O ATOM 870 CB ILE A 48 -3.116 -2.396 -18.065 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.811 -2.933 -19.468 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.823 -1.043 -18.185 1.00 0.00 C ATOM 873 CD1 ILE A 48 -4.118 -3.233 -20.204 1.00 0.00 C ATOM 0 H ILE A 48 -0.207 -2.009 -18.660 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.042 -1.698 -16.352 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.758 -3.102 -17.539 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.227 -2.202 -20.028 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.207 -3.837 -19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.752 -1.166 -18.742 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.045 -0.659 -17.189 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.176 -0.340 -18.709 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.895 -3.614 -21.201 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.685 -3.980 -19.648 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.706 -2.319 -20.288 1.00 0.00 H new ATOM 885 N PRO A 49 -1.354 -4.113 -15.777 1.00 0.00 N ATOM 886 CA PRO A 49 -0.768 -5.407 -15.420 1.00 0.00 C ATOM 887 C PRO A 49 -1.451 -6.530 -16.176 1.00 0.00 C ATOM 888 O PRO A 49 -2.604 -6.785 -16.007 1.00 0.00 O ATOM 889 CB PRO A 49 -0.973 -5.521 -13.911 1.00 0.00 C ATOM 890 CG PRO A 49 -2.124 -4.537 -13.560 1.00 0.00 C ATOM 891 CD PRO A 49 -2.148 -3.491 -14.704 1.00 0.00 C ATOM 0 HA PRO A 49 0.287 -5.480 -15.683 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.232 -6.541 -13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.061 -5.263 -13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.078 -5.060 -13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.949 -4.059 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.166 -3.282 -15.032 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.715 -2.543 -14.386 1.00 0.00 H new ATOM 899 N LYS A 50 -0.713 -7.170 -17.031 1.00 0.00 N ATOM 900 CA LYS A 50 -1.247 -8.290 -17.871 1.00 0.00 C ATOM 901 C LYS A 50 -1.854 -9.425 -17.015 1.00 0.00 C ATOM 902 O LYS A 50 -2.578 -10.250 -17.529 1.00 0.00 O ATOM 903 CB LYS A 50 -0.079 -8.824 -18.667 1.00 0.00 C ATOM 904 CG LYS A 50 -0.490 -9.938 -19.599 1.00 0.00 C ATOM 905 CD LYS A 50 0.791 -10.522 -20.184 1.00 0.00 C ATOM 906 CE LYS A 50 0.504 -11.887 -20.811 1.00 0.00 C ATOM 907 NZ LYS A 50 0.786 -12.963 -19.818 1.00 0.00 N ATOM 0 H LYS A 50 0.272 -6.962 -17.193 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.049 -7.920 -18.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.366 -8.014 -19.245 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.689 -9.188 -17.984 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.053 -10.702 -19.063 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.138 -9.560 -20.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.199 -9.846 -20.935 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.545 -10.622 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.536 -11.939 -21.133 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.120 -12.027 -21.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.590 -13.890 -20.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.785 -12.918 -19.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.180 -12.832 -18.983 1.00 0.00 H new ATOM 921 N ASN A 51 -1.565 -9.485 -15.733 1.00 0.00 N ATOM 922 CA ASN A 51 -2.131 -10.547 -14.890 1.00 0.00 C ATOM 923 C ASN A 51 -3.643 -10.365 -14.773 1.00 0.00 C ATOM 924 O ASN A 51 -4.388 -11.316 -14.622 1.00 0.00 O ATOM 925 CB ASN A 51 -1.483 -10.479 -13.548 1.00 0.00 C ATOM 926 CG ASN A 51 -0.230 -11.360 -13.519 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.007 -12.088 -12.573 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.600 -11.325 -14.526 1.00 0.00 N ATOM 0 H ASN A 51 -0.954 -8.829 -15.247 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.943 -11.525 -15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.216 -9.448 -13.317 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.184 -10.807 -12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.436 -11.909 -14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.412 -10.713 -15.320 1.00 0.00 H new ATOM 935 N TYR A 52 -4.096 -9.153 -14.898 1.00 0.00 N ATOM 936 CA TYR A 52 -5.544 -8.861 -14.863 1.00 0.00 C ATOM 937 C TYR A 52 -5.998 -8.713 -16.293 1.00 0.00 C ATOM 938 O TYR A 52 -6.917 -7.962 -16.584 1.00 0.00 O ATOM 939 CB TYR A 52 -5.785 -7.507 -14.164 1.00 0.00 C ATOM 940 CG TYR A 52 -5.381 -7.509 -12.744 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.059 -7.754 -12.379 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.328 -7.203 -11.786 1.00 0.00 C ATOM 943 CE1 TYR A 52 -3.696 -7.695 -11.053 1.00 0.00 C ATOM 944 CE2 TYR A 52 -5.974 -7.149 -10.461 1.00 0.00 C ATOM 945 CZ TYR A 52 -4.649 -7.393 -10.080 1.00 0.00 C ATOM 946 OH TYR A 52 -4.281 -7.335 -8.755 1.00 0.00 O ATOM 0 H TYR A 52 -3.503 -8.333 -15.026 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.076 -9.653 -14.335 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.233 -6.729 -14.692 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.842 -7.251 -14.235 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.323 -7.989 -13.133 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.348 -7.006 -12.080 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.672 -7.883 -10.765 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.717 -6.918 -9.712 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.771 -6.612 -8.311 1.00 0.00 H new ATOM 956 N ILE A 53 -5.328 -9.371 -17.219 1.00 0.00 N ATOM 957 CA ILE A 53 -5.694 -9.198 -18.620 1.00 0.00 C ATOM 958 C ILE A 53 -5.253 -10.377 -19.483 1.00 0.00 C ATOM 959 O ILE A 53 -4.460 -11.212 -19.091 1.00 0.00 O ATOM 960 CB ILE A 53 -5.019 -7.945 -19.211 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.693 -6.896 -18.150 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.933 -7.306 -20.235 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.804 -5.839 -18.767 1.00 0.00 C ATOM 0 H ILE A 53 -4.553 -10.010 -17.042 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.780 -9.111 -18.633 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.085 -8.278 -19.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.610 -6.444 -17.772 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.193 -7.361 -17.301 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.452 -6.421 -20.650 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.136 -8.017 -21.035 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.870 -7.019 -19.758 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.564 -5.084 -18.019 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.884 -6.301 -19.125 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.323 -5.370 -19.603 1.00 0.00 H new ATOM 975 N GLU A 54 -5.718 -10.368 -20.696 1.00 0.00 N ATOM 976 CA GLU A 54 -5.337 -11.367 -21.680 1.00 0.00 C ATOM 977 C GLU A 54 -5.299 -10.650 -23.022 1.00 0.00 C ATOM 978 O GLU A 54 -5.950 -9.637 -23.197 1.00 0.00 O ATOM 979 CB GLU A 54 -6.330 -12.506 -21.717 1.00 0.00 C ATOM 980 CG GLU A 54 -5.734 -13.740 -21.033 1.00 0.00 C ATOM 981 CD GLU A 54 -6.860 -14.690 -20.619 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.837 -14.771 -21.346 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.727 -15.318 -19.583 1.00 0.00 O ATOM 0 H GLU A 54 -6.375 -9.670 -21.044 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.370 -11.805 -21.432 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.253 -12.212 -21.216 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.589 -12.741 -22.749 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.047 -14.247 -21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.157 -13.440 -20.158 1.00 0.00 H new ATOM 990 N MET A 55 -4.530 -11.137 -23.946 1.00 0.00 N ATOM 991 CA MET A 55 -4.400 -10.442 -25.272 1.00 0.00 C ATOM 992 C MET A 55 -5.367 -10.997 -26.316 1.00 0.00 C ATOM 993 O MET A 55 -5.194 -12.098 -26.809 1.00 0.00 O ATOM 994 CB MET A 55 -2.967 -10.616 -25.780 1.00 0.00 C ATOM 995 CG MET A 55 -2.744 -9.721 -26.999 1.00 0.00 C ATOM 996 SD MET A 55 -1.482 -10.456 -28.067 1.00 0.00 S ATOM 997 CE MET A 55 -0.048 -9.642 -27.321 1.00 0.00 C ATOM 0 H MET A 55 -3.979 -11.990 -23.850 1.00 0.00 H new ATOM 0 HA MET A 55 -4.643 -9.390 -25.123 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.258 -10.360 -24.993 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.788 -11.658 -26.044 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.677 -9.601 -27.550 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.431 -8.726 -26.681 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.859 -9.958 -27.837 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.157 -8.561 -27.408 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.019 -9.916 -26.268 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.378 -10.229 -26.676 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.330 -10.679 -27.684 1.00 0.00 C ATOM 1009 C LYS A 56 -7.076 -10.021 -29.048 1.00 0.00 C ATOM 1010 O LYS A 56 -6.745 -8.836 -29.122 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.721 -10.363 -27.225 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.256 -11.545 -26.442 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.570 -11.164 -25.745 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.607 -10.723 -26.784 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.981 -11.884 -27.641 1.00 0.00 N ATOM 0 H LYS A 56 -6.564 -9.302 -26.294 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.205 -11.755 -27.808 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.719 -9.468 -26.603 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.363 -10.155 -28.081 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.422 -12.390 -27.111 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.522 -11.864 -25.702 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.950 -12.014 -25.178 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.393 -10.359 -25.032 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.491 -10.327 -26.285 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.202 -9.920 -27.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.841 -11.655 -28.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.205 -12.093 -28.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.159 -12.715 -27.041 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.247 -10.823 -30.116 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.051 -10.355 -31.464 1.00 0.00 C ATOM 1031 C PRO A 57 -8.318 -9.669 -31.998 1.00 0.00 C ATOM 1032 O PRO A 57 -9.308 -9.547 -31.305 1.00 0.00 O ATOM 1033 CB PRO A 57 -6.794 -11.619 -32.263 1.00 0.00 C ATOM 1034 CG PRO A 57 -7.437 -12.760 -31.460 1.00 0.00 C ATOM 1035 CD PRO A 57 -7.628 -12.250 -30.044 1.00 0.00 C ATOM 0 HA PRO A 57 -6.242 -9.627 -31.527 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.231 -11.547 -33.259 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.725 -11.788 -32.395 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.392 -13.050 -31.898 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.801 -13.645 -31.469 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.660 -12.370 -29.714 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.001 -12.794 -29.337 1.00 0.00 H new ATOM 1043 N HIS A 58 -8.292 -9.266 -33.246 1.00 0.00 N ATOM 1044 CA HIS A 58 -9.491 -8.627 -33.878 1.00 0.00 C ATOM 1045 C HIS A 58 -9.121 -8.220 -35.334 1.00 0.00 C ATOM 1046 O HIS A 58 -8.105 -7.587 -35.538 1.00 0.00 O ATOM 1047 CB HIS A 58 -9.940 -7.384 -33.075 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.868 -6.329 -33.080 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.679 -5.478 -34.156 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -7.936 -5.966 -32.145 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -7.667 -4.651 -33.844 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -7.181 -4.906 -32.629 1.00 0.00 N ATOM 0 H HIS A 58 -7.483 -9.353 -33.860 1.00 0.00 H new ATOM 0 HA HIS A 58 -10.320 -9.335 -33.884 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.857 -6.980 -33.505 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.169 -7.672 -32.049 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.808 -6.432 -31.179 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -7.294 -3.876 -34.497 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.417 -4.424 -32.155 1.00 0.00 H new ATOM 1060 N PRO A 59 -9.942 -8.601 -36.319 1.00 0.00 N ATOM 1061 CA PRO A 59 -9.660 -8.270 -37.721 1.00 0.00 C ATOM 1062 C PRO A 59 -10.028 -6.813 -38.018 1.00 0.00 C ATOM 1063 O PRO A 59 -10.920 -6.251 -37.408 1.00 0.00 O ATOM 1064 CB PRO A 59 -10.551 -9.230 -38.515 1.00 0.00 C ATOM 1065 CG PRO A 59 -11.697 -9.654 -37.556 1.00 0.00 C ATOM 1066 CD PRO A 59 -11.192 -9.376 -36.124 1.00 0.00 C ATOM 0 HA PRO A 59 -8.605 -8.373 -37.974 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.949 -8.744 -39.406 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.984 -10.098 -38.852 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.606 -9.090 -37.764 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.940 -10.709 -37.684 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.924 -8.811 -35.547 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.005 -10.303 -35.582 1.00 0.00 H new ATOM 1074 N GLU A 60 -9.344 -6.201 -38.955 1.00 0.00 N ATOM 1075 CA GLU A 60 -9.643 -4.782 -39.304 1.00 0.00 C ATOM 1076 C GLU A 60 -10.695 -4.742 -40.413 1.00 0.00 C ATOM 1077 O GLU A 60 -10.370 -4.734 -41.587 1.00 0.00 O ATOM 1078 CB GLU A 60 -8.361 -4.092 -39.789 1.00 0.00 C ATOM 1079 CG GLU A 60 -8.632 -2.596 -40.038 1.00 0.00 C ATOM 1080 CD GLU A 60 -8.398 -2.259 -41.516 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -8.627 -3.126 -42.344 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -7.995 -1.142 -41.791 1.00 0.00 O ATOM 0 H GLU A 60 -8.590 -6.627 -39.493 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.022 -4.263 -38.424 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.572 -4.209 -39.046 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.008 -4.564 -40.706 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.657 -2.352 -39.759 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.978 -1.990 -39.411 1.00 0.00 H new ATOM 1089 N PHE A 61 -11.954 -4.714 -40.049 1.00 0.00 N ATOM 1090 CA PHE A 61 -13.034 -4.672 -41.077 1.00 0.00 C ATOM 1091 C PHE A 61 -13.896 -3.428 -40.853 1.00 0.00 C ATOM 1092 O PHE A 61 -14.918 -3.480 -40.192 1.00 0.00 O ATOM 1093 CB PHE A 61 -13.904 -5.929 -40.961 1.00 0.00 C ATOM 1094 CG PHE A 61 -13.437 -6.959 -41.965 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -12.151 -7.504 -41.866 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -14.292 -7.365 -42.997 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -11.720 -8.454 -42.798 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -13.860 -8.317 -43.929 1.00 0.00 C ATOM 1099 CZ PHE A 61 -12.574 -8.861 -43.830 1.00 0.00 C ATOM 0 H PHE A 61 -12.278 -4.719 -39.082 1.00 0.00 H new ATOM 0 HA PHE A 61 -12.590 -4.634 -42.072 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.842 -6.335 -39.951 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.950 -5.679 -41.140 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.492 -7.191 -41.070 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.284 -6.944 -43.074 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.728 -8.874 -42.721 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.519 -8.632 -44.724 1.00 0.00 H new ATOM 0 HZ PHE A 61 -12.241 -9.594 -44.549 1.00 0.00 H new ATOM 1109 N ILE A 62 -13.487 -2.310 -41.400 1.00 0.00 N ATOM 1110 CA ILE A 62 -14.274 -1.052 -41.226 1.00 0.00 C ATOM 1111 C ILE A 62 -14.300 -0.282 -42.546 1.00 0.00 C ATOM 1112 O ILE A 62 -13.338 0.368 -42.916 1.00 0.00 O ATOM 1113 CB ILE A 62 -13.623 -0.186 -40.143 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -12.121 0.007 -40.456 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -13.783 -0.873 -38.783 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -11.840 1.480 -40.778 1.00 0.00 C ATOM 0 H ILE A 62 -12.640 -2.215 -41.961 1.00 0.00 H new ATOM 0 HA ILE A 62 -15.293 -1.300 -40.928 1.00 0.00 H new ATOM 0 HB ILE A 62 -14.108 0.790 -40.119 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.519 -0.309 -39.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.833 -0.620 -41.300 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.321 -0.260 -38.009 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -14.843 -0.999 -38.562 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -13.299 -1.849 -38.809 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.780 1.609 -40.997 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.429 1.782 -41.644 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -12.111 2.098 -39.922 1.00 0.00 H new ATOM 1128 N VAL A 63 -15.396 -0.350 -43.259 1.00 0.00 N ATOM 1129 CA VAL A 63 -15.498 0.376 -44.560 1.00 0.00 C ATOM 1130 C VAL A 63 -16.585 1.449 -44.459 1.00 0.00 C ATOM 1131 O VAL A 63 -17.249 1.766 -45.428 1.00 0.00 O ATOM 1132 CB VAL A 63 -15.856 -0.615 -45.672 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -15.781 0.087 -47.028 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -14.865 -1.785 -45.651 1.00 0.00 C ATOM 0 H VAL A 63 -16.227 -0.879 -42.994 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.543 0.847 -44.791 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.867 -0.989 -45.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.036 -0.619 -47.818 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.483 0.920 -47.046 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.770 0.461 -47.188 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.119 -2.491 -46.442 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.855 -1.409 -45.811 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.916 -2.288 -44.685 1.00 0.00 H new ATOM 1144 N THR A 64 -16.769 2.007 -43.287 1.00 0.00 N ATOM 1145 CA THR A 64 -17.811 3.061 -43.107 1.00 0.00 C ATOM 1146 C THR A 64 -17.151 4.354 -42.627 1.00 0.00 C ATOM 1147 O THR A 64 -16.288 4.338 -41.768 1.00 0.00 O ATOM 1148 CB THR A 64 -18.832 2.595 -42.066 1.00 0.00 C ATOM 1149 OG1 THR A 64 -18.147 2.055 -40.944 1.00 0.00 O ATOM 1150 CG2 THR A 64 -19.738 1.525 -42.676 1.00 0.00 C ATOM 0 H THR A 64 -16.240 1.776 -42.446 1.00 0.00 H new ATOM 0 HA THR A 64 -18.314 3.240 -44.057 1.00 0.00 H new ATOM 0 HB THR A 64 -19.440 3.442 -41.750 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.798 1.757 -40.275 1.00 0.00 H new ATOM 0 HG21 THR A 64 -20.464 1.195 -41.932 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.263 1.940 -43.536 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.134 0.676 -42.995 1.00 0.00 H new ATOM 1158 N ASP A 65 -17.554 5.476 -43.173 1.00 0.00 N ATOM 1159 CA ASP A 65 -16.954 6.778 -42.749 1.00 0.00 C ATOM 1160 C ASP A 65 -17.901 7.482 -41.775 1.00 0.00 C ATOM 1161 O ASP A 65 -18.790 6.822 -41.263 1.00 0.00 O ATOM 1162 CB ASP A 65 -16.736 7.663 -43.979 1.00 0.00 C ATOM 1163 CG ASP A 65 -15.579 8.628 -43.710 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -15.809 9.629 -43.052 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -14.482 8.349 -44.167 1.00 0.00 O ATOM 1166 OXT ASP A 65 -17.722 8.668 -41.559 1.00 0.00 O ATOM 0 H ASP A 65 -18.272 5.545 -43.894 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.998 6.596 -42.258 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.515 7.046 -44.850 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -17.645 8.221 -44.205 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -10.278 -12.476 -1.221 1.00 0.00 N ATOM 1173 CA SER B 1 -9.902 -12.765 -2.634 1.00 0.00 C ATOM 1174 C SER B 1 -8.500 -13.413 -2.673 1.00 0.00 C ATOM 1175 O SER B 1 -7.728 -13.240 -1.752 1.00 0.00 O ATOM 1176 CB SER B 1 -9.880 -11.461 -3.432 1.00 0.00 C ATOM 1177 OG SER B 1 -11.212 -11.094 -3.769 1.00 0.00 O ATOM 0 H1 SER B 1 -10.916 -13.219 -0.873 1.00 0.00 H new ATOM 0 H2 SER B 1 -9.421 -12.451 -0.632 1.00 0.00 H new ATOM 0 H3 SER B 1 -10.759 -11.555 -1.171 1.00 0.00 H new ATOM 0 HA SER B 1 -10.631 -13.448 -3.070 1.00 0.00 H new ATOM 0 HB2 SER B 1 -9.410 -10.671 -2.847 1.00 0.00 H new ATOM 0 HB3 SER B 1 -9.285 -11.585 -4.337 1.00 0.00 H new ATOM 0 HG SER B 1 -11.202 -10.257 -4.279 1.00 0.00 H new ATOM 1185 N PRO B 2 -8.202 -14.144 -3.748 1.00 0.00 N ATOM 1186 CA PRO B 2 -6.900 -14.803 -3.897 1.00 0.00 C ATOM 1187 C PRO B 2 -5.840 -13.784 -4.327 1.00 0.00 C ATOM 1188 O PRO B 2 -4.790 -13.672 -3.722 1.00 0.00 O ATOM 1189 CB PRO B 2 -7.135 -15.842 -5.000 1.00 0.00 C ATOM 1190 CG PRO B 2 -8.364 -15.347 -5.809 1.00 0.00 C ATOM 1191 CD PRO B 2 -9.127 -14.371 -4.888 1.00 0.00 C ATOM 0 HA PRO B 2 -6.541 -15.253 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -6.258 -15.933 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.322 -16.827 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.050 -14.850 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -9.000 -16.183 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.361 -13.439 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -10.073 -14.797 -4.554 1.00 0.00 H new ATOM 1199 N LEU B 3 -6.115 -13.040 -5.371 1.00 0.00 N ATOM 1200 CA LEU B 3 -5.136 -12.021 -5.852 1.00 0.00 C ATOM 1201 C LEU B 3 -5.895 -10.849 -6.482 1.00 0.00 C ATOM 1202 O LEU B 3 -6.815 -11.038 -7.257 1.00 0.00 O ATOM 1203 CB LEU B 3 -4.202 -12.660 -6.896 1.00 0.00 C ATOM 1204 CG LEU B 3 -2.800 -12.827 -6.302 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -1.957 -13.712 -7.223 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -2.139 -11.454 -6.167 1.00 0.00 C ATOM 0 H LEU B 3 -6.979 -13.096 -5.911 1.00 0.00 H new ATOM 0 HA LEU B 3 -4.541 -11.658 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -4.594 -13.629 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -4.157 -12.036 -7.788 1.00 0.00 H new ATOM 0 HG LEU B 3 -2.874 -13.294 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.959 -13.831 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -2.429 -14.690 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -1.882 -13.247 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.141 -11.571 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -2.065 -10.988 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -2.740 -10.824 -5.511 1.00 0.00 H new ATOM 1218 N LEU B 4 -5.510 -9.635 -6.157 1.00 0.00 N ATOM 1219 CA LEU B 4 -6.198 -8.433 -6.735 1.00 0.00 C ATOM 1220 C LEU B 4 -5.647 -7.145 -6.069 1.00 0.00 C ATOM 1221 O LEU B 4 -5.234 -6.241 -6.764 1.00 0.00 O ATOM 1222 CB LEU B 4 -7.728 -8.527 -6.516 1.00 0.00 C ATOM 1223 CG LEU B 4 -8.468 -8.335 -7.863 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -9.436 -9.499 -8.099 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -9.258 -7.021 -7.836 1.00 0.00 C ATOM 0 H LEU B 4 -4.746 -9.425 -5.514 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.002 -8.398 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.983 -9.495 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.049 -7.767 -5.804 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.734 -8.306 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -9.952 -9.356 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -8.879 -10.436 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -10.166 -9.535 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.777 -6.889 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -9.986 -7.051 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.573 -6.188 -7.678 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.647 -7.082 -4.731 1.00 0.00 N ATOM 1238 CA PRO B 5 -5.135 -5.900 -4.015 1.00 0.00 C ATOM 1239 C PRO B 5 -3.595 -5.954 -3.856 1.00 0.00 C ATOM 1240 O PRO B 5 -3.071 -5.628 -2.807 1.00 0.00 O ATOM 1241 CB PRO B 5 -5.804 -5.991 -2.642 1.00 0.00 C ATOM 1242 CG PRO B 5 -6.179 -7.487 -2.435 1.00 0.00 C ATOM 1243 CD PRO B 5 -6.168 -8.143 -3.833 1.00 0.00 C ATOM 0 HA PRO B 5 -5.352 -4.973 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -5.129 -5.647 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -6.691 -5.359 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -5.466 -7.977 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -7.161 -7.580 -1.971 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -5.532 -9.028 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -7.167 -8.461 -4.131 1.00 0.00 H new ATOM 1251 N LYS B 6 -2.866 -6.360 -4.882 1.00 0.00 N ATOM 1252 CA LYS B 6 -1.366 -6.424 -4.771 1.00 0.00 C ATOM 1253 C LYS B 6 -0.783 -7.045 -6.049 1.00 0.00 C ATOM 1254 O LYS B 6 -1.407 -7.867 -6.692 1.00 0.00 O ATOM 1255 CB LYS B 6 -0.964 -7.285 -3.553 1.00 0.00 C ATOM 1256 CG LYS B 6 -0.368 -6.390 -2.459 1.00 0.00 C ATOM 1257 CD LYS B 6 -0.573 -7.047 -1.094 1.00 0.00 C ATOM 1258 CE LYS B 6 -0.019 -6.133 0.002 1.00 0.00 C ATOM 1259 NZ LYS B 6 -0.885 -4.926 0.127 1.00 0.00 N ATOM 0 H LYS B 6 -3.245 -6.647 -5.784 1.00 0.00 H new ATOM 0 HA LYS B 6 -0.975 -5.415 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.835 -7.815 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.238 -8.040 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.695 -6.232 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.844 -5.409 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.633 -7.234 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.070 -8.014 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.018 -6.667 0.951 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.002 -5.838 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.708 -4.465 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -0.668 -4.262 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -1.884 -5.208 0.070 1.00 0.00 H new ATOM 1273 N LEU B 7 0.419 -6.659 -6.410 1.00 0.00 N ATOM 1274 CA LEU B 7 1.065 -7.221 -7.637 1.00 0.00 C ATOM 1275 C LEU B 7 2.510 -7.663 -7.286 1.00 0.00 C ATOM 1276 O LEU B 7 3.462 -7.054 -7.737 1.00 0.00 O ATOM 1277 CB LEU B 7 1.098 -6.143 -8.739 1.00 0.00 C ATOM 1278 CG LEU B 7 -0.017 -6.394 -9.774 1.00 0.00 C ATOM 1279 CD1 LEU B 7 0.202 -7.746 -10.460 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -1.387 -6.388 -9.082 1.00 0.00 C ATOM 0 H LEU B 7 0.982 -5.975 -5.904 1.00 0.00 H new ATOM 0 HA LEU B 7 0.498 -8.080 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU B 7 0.974 -5.156 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU B 7 2.069 -6.150 -9.233 1.00 0.00 H new ATOM 0 HG LEU B 7 0.012 -5.601 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.590 -7.916 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.168 -7.745 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.184 -8.540 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.169 -6.566 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.416 -7.173 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.550 -5.421 -8.607 1.00 0.00 H new ATOM 1292 N PRO B 8 2.638 -8.713 -6.470 1.00 0.00 N ATOM 1293 CA PRO B 8 3.956 -9.216 -6.052 1.00 0.00 C ATOM 1294 C PRO B 8 4.597 -10.082 -7.170 1.00 0.00 C ATOM 1295 O PRO B 8 3.902 -10.844 -7.814 1.00 0.00 O ATOM 1296 CB PRO B 8 3.645 -10.078 -4.823 1.00 0.00 C ATOM 1297 CG PRO B 8 2.151 -10.487 -4.944 1.00 0.00 C ATOM 1298 CD PRO B 8 1.497 -9.472 -5.904 1.00 0.00 C ATOM 0 HA PRO B 8 4.663 -8.413 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.288 -10.958 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO B 8 3.822 -9.521 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO B 8 2.056 -11.502 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO B 8 1.663 -10.469 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO B 8 0.927 -9.974 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO B 8 0.805 -8.815 -5.377 1.00 0.00 H new ATOM 1306 N PRO B 9 5.914 -9.953 -7.373 1.00 0.00 N ATOM 1307 CA PRO B 9 6.619 -10.731 -8.398 1.00 0.00 C ATOM 1308 C PRO B 9 6.931 -12.139 -7.873 1.00 0.00 C ATOM 1309 O PRO B 9 6.478 -13.130 -8.417 1.00 0.00 O ATOM 1310 CB PRO B 9 7.915 -9.948 -8.630 1.00 0.00 C ATOM 1311 CG PRO B 9 8.152 -9.106 -7.344 1.00 0.00 C ATOM 1312 CD PRO B 9 6.794 -9.028 -6.615 1.00 0.00 C ATOM 0 HA PRO B 9 6.036 -10.858 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO B 9 8.751 -10.624 -8.812 1.00 0.00 H new ATOM 0 HB3 PRO B 9 7.829 -9.305 -9.506 1.00 0.00 H new ATOM 0 HG2 PRO B 9 8.907 -9.571 -6.710 1.00 0.00 H new ATOM 0 HG3 PRO B 9 8.516 -8.109 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO B 9 6.885 -9.331 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO B 9 6.399 -8.012 -6.618 1.00 0.00 H new ATOM 1320 N LYS B 10 7.705 -12.230 -6.816 1.00 0.00 N ATOM 1321 CA LYS B 10 8.058 -13.564 -6.245 1.00 0.00 C ATOM 1322 C LYS B 10 8.896 -13.366 -4.980 1.00 0.00 C ATOM 1323 O LYS B 10 10.112 -13.359 -5.028 1.00 0.00 O ATOM 1324 CB LYS B 10 8.870 -14.361 -7.271 1.00 0.00 C ATOM 1325 CG LYS B 10 8.562 -15.853 -7.124 1.00 0.00 C ATOM 1326 CD LYS B 10 9.594 -16.499 -6.197 1.00 0.00 C ATOM 1327 CE LYS B 10 9.193 -17.949 -5.918 1.00 0.00 C ATOM 1328 NZ LYS B 10 9.455 -18.781 -7.126 1.00 0.00 N ATOM 0 H LYS B 10 8.108 -11.432 -6.324 1.00 0.00 H new ATOM 0 HA LYS B 10 7.146 -14.109 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.628 -14.027 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS B 10 9.935 -14.183 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.559 -15.990 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.581 -16.337 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS B 10 10.582 -16.466 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.658 -15.942 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS B 10 9.756 -18.336 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.138 -18.000 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 9.262 -19.780 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.837 -18.470 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 10.449 -18.675 -7.412 1.00 0.00 H new ATOM 1342 N THR B 11 8.255 -13.203 -3.845 1.00 0.00 N ATOM 1343 CA THR B 11 9.013 -12.999 -2.567 1.00 0.00 C ATOM 1344 C THR B 11 9.840 -11.715 -2.667 1.00 0.00 C ATOM 1345 O THR B 11 9.874 -11.070 -3.700 1.00 0.00 O ATOM 1346 CB THR B 11 9.949 -14.194 -2.321 1.00 0.00 C ATOM 1347 OG1 THR B 11 9.440 -15.340 -2.990 1.00 0.00 O ATOM 1348 CG2 THR B 11 10.048 -14.480 -0.820 1.00 0.00 C ATOM 0 H THR B 11 7.240 -13.202 -3.749 1.00 0.00 H new ATOM 0 HA THR B 11 8.309 -12.918 -1.739 1.00 0.00 H new ATOM 0 HB THR B 11 10.941 -13.957 -2.705 1.00 0.00 H new ATOM 0 HG1 THR B 11 10.037 -16.101 -2.835 1.00 0.00 H new ATOM 0 HG21 THR B 11 10.713 -15.328 -0.654 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.444 -13.603 -0.308 1.00 0.00 H new ATOM 0 HG23 THR B 11 9.058 -14.713 -0.428 1.00 0.00 H new ATOM 1356 N TYR B 12 10.511 -11.341 -1.603 1.00 0.00 N ATOM 1357 CA TYR B 12 11.341 -10.100 -1.631 1.00 0.00 C ATOM 1358 C TYR B 12 12.451 -10.254 -2.673 1.00 0.00 C ATOM 1359 O TYR B 12 12.962 -11.339 -2.890 1.00 0.00 O ATOM 1360 CB TYR B 12 11.965 -9.871 -0.252 1.00 0.00 C ATOM 1361 CG TYR B 12 10.873 -9.651 0.768 1.00 0.00 C ATOM 1362 CD1 TYR B 12 9.919 -8.644 0.570 1.00 0.00 C ATOM 1363 CD2 TYR B 12 10.813 -10.456 1.913 1.00 0.00 C ATOM 1364 CE1 TYR B 12 8.907 -8.443 1.516 1.00 0.00 C ATOM 1365 CE2 TYR B 12 9.802 -10.253 2.859 1.00 0.00 C ATOM 1366 CZ TYR B 12 8.849 -9.247 2.661 1.00 0.00 C ATOM 1367 OH TYR B 12 7.851 -9.049 3.595 1.00 0.00 O ATOM 0 H TYR B 12 10.518 -11.845 -0.716 1.00 0.00 H new ATOM 0 HA TYR B 12 10.712 -9.248 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR B 12 12.573 -10.731 0.031 1.00 0.00 H new ATOM 0 HB3 TYR B 12 12.629 -9.007 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR B 12 9.964 -8.023 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR B 12 11.547 -11.233 2.066 1.00 0.00 H new ATOM 0 HE1 TYR B 12 8.171 -7.668 1.363 1.00 0.00 H new ATOM 0 HE2 TYR B 12 9.757 -10.873 3.742 1.00 0.00 H new ATOM 0 HH TYR B 12 7.956 -9.692 4.327 1.00 0.00 H new ATOM 1377 N LYS B 13 12.825 -9.179 -3.323 1.00 0.00 N ATOM 1378 CA LYS B 13 13.902 -9.259 -4.358 1.00 0.00 C ATOM 1379 C LYS B 13 14.182 -7.863 -4.912 1.00 0.00 C ATOM 1380 O LYS B 13 15.282 -7.351 -4.806 1.00 0.00 O ATOM 1381 CB LYS B 13 13.445 -10.174 -5.496 1.00 0.00 C ATOM 1382 CG LYS B 13 14.665 -10.805 -6.167 1.00 0.00 C ATOM 1383 CD LYS B 13 15.169 -11.972 -5.316 1.00 0.00 C ATOM 1384 CE LYS B 13 16.684 -12.100 -5.472 1.00 0.00 C ATOM 1385 NZ LYS B 13 17.189 -13.170 -4.567 1.00 0.00 N ATOM 0 H LYS B 13 12.431 -8.249 -3.181 1.00 0.00 H new ATOM 0 HA LYS B 13 14.810 -9.660 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS B 13 12.787 -10.952 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS B 13 12.870 -9.604 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS B 13 14.403 -11.155 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS B 13 15.453 -10.061 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS B 13 14.913 -11.810 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS B 13 14.682 -12.897 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS B 13 16.935 -12.336 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS B 13 17.166 -11.151 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 18.220 -13.257 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 16.962 -12.927 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 16.738 -14.074 -4.813 1.00 0.00 H new ATOM 1399 N ARG B 14 13.193 -7.245 -5.508 1.00 0.00 N ATOM 1400 CA ARG B 14 13.388 -5.880 -6.080 1.00 0.00 C ATOM 1401 C ARG B 14 12.201 -4.994 -5.700 1.00 0.00 C ATOM 1402 O ARG B 14 12.347 -4.015 -4.992 1.00 0.00 O ATOM 1403 CB ARG B 14 13.483 -5.975 -7.604 1.00 0.00 C ATOM 1404 CG ARG B 14 14.930 -6.265 -8.009 1.00 0.00 C ATOM 1405 CD ARG B 14 15.815 -5.062 -7.663 1.00 0.00 C ATOM 1406 NE ARG B 14 16.792 -4.835 -8.763 1.00 0.00 N ATOM 1407 CZ ARG B 14 16.394 -4.311 -9.890 1.00 0.00 C ATOM 1408 NH1 ARG B 14 15.640 -3.245 -9.884 1.00 0.00 N ATOM 1409 NH2 ARG B 14 16.749 -4.853 -11.023 1.00 0.00 N ATOM 0 H ARG B 14 12.255 -7.630 -5.623 1.00 0.00 H new ATOM 0 HA ARG B 14 14.307 -5.448 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG B 14 12.826 -6.764 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG B 14 13.147 -5.043 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG B 14 15.291 -7.155 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG B 14 14.984 -6.473 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG B 14 15.200 -4.174 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG B 14 16.341 -5.241 -6.725 1.00 0.00 H new ATOM 0 HE ARG B 14 17.772 -5.089 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG B 14 15.362 -2.822 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG B 14 15.329 -2.835 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG B 14 17.337 -5.686 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG B 14 16.438 -4.443 -11.904 1.00 0.00 H new ATOM 1423 N GLU B 15 11.026 -5.333 -6.170 1.00 0.00 N ATOM 1424 CA GLU B 15 9.819 -4.517 -5.845 1.00 0.00 C ATOM 1425 C GLU B 15 8.836 -5.360 -5.031 1.00 0.00 C ATOM 1426 O GLU B 15 9.250 -6.385 -4.516 1.00 0.00 O ATOM 1427 CB GLU B 15 9.150 -4.063 -7.145 1.00 0.00 C ATOM 1428 CG GLU B 15 10.007 -2.983 -7.809 1.00 0.00 C ATOM 1429 CD GLU B 15 9.118 -2.095 -8.682 1.00 0.00 C ATOM 1430 OE1 GLU B 15 8.787 -2.517 -9.778 1.00 0.00 O ATOM 1431 OE2 GLU B 15 8.785 -1.008 -8.240 1.00 0.00 O ATOM 1432 OXT GLU B 15 7.686 -4.965 -4.936 1.00 0.00 O ATOM 0 H GLU B 15 10.852 -6.142 -6.766 1.00 0.00 H new ATOM 0 HA GLU B 15 10.114 -3.644 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.028 -4.911 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.153 -3.675 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.507 -2.382 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU B 15 10.787 -3.444 -8.415 1.00 0.00 H new TER 1439 GLU B 15