USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 13 THR OG1 : rot 180:sc= 0.0537 USER MOD Set 1.2: A 14 CYS SG : rot -28:sc= -0.754 USER MOD Set 1.3: A 17 CYS SG : rot 132:sc= 0.18 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0363) USER MOD Single : A 12 MET CE :methyl 177:sc= -0.119 (180deg=-0.152) USER MOD Single : A 19 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0038) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00374) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.71) USER MOD Single : A 37 ASN : amide:sc= -2.35 K(o=-2.3,f=0.11) USER MOD Single : A 42 THR OG1 : rot -60:sc= 0.919 USER MOD Single : A 44 THR OG1 : rot 43:sc= 0.662 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 48 ASN : amide:sc= 0.961 K(o=0.96,f=-5.9!) USER MOD Single : A 50 LYS NZ :NH3+ -116:sc= 0.878 (180deg=-0.0253) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.025 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.23) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 145:sc= -0.604! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 2.21 (180deg=2.01) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 1.21 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.593 12.783 4.896 1.00 10.00 N ATOM 35 CA GLU A 3 2.153 13.146 3.570 1.00 10.00 C ATOM 36 C GLU A 3 1.435 11.935 2.993 1.00 10.00 C ATOM 37 O GLU A 3 1.665 10.809 3.432 1.00 10.00 O ATOM 38 CB GLU A 3 3.344 13.578 2.708 1.00 10.00 C ATOM 39 CG GLU A 3 4.408 12.475 2.581 1.00 10.00 C ATOM 40 CD GLU A 3 5.806 13.020 2.834 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.018 13.536 3.954 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.643 12.895 1.915 1.00 10.00 O ATOM 0 HA GLU A 3 1.474 13.998 3.596 1.00 10.00 H new ATOM 0 HB2 GLU A 3 2.989 13.852 1.715 1.00 10.00 H new ATOM 0 HB3 GLU A 3 3.798 14.469 3.142 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.193 11.677 3.291 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.362 12.036 1.584 1.00 10.00 H new ATOM 49 N LYS A 4 0.554 12.202 2.033 1.00 10.00 N ATOM 50 CA LYS A 4 -0.250 11.215 1.330 1.00 10.00 C ATOM 51 C LYS A 4 0.466 10.886 0.023 1.00 10.00 C ATOM 52 O LYS A 4 0.602 11.759 -0.833 1.00 10.00 O ATOM 53 CB LYS A 4 -1.657 11.754 1.036 1.00 10.00 C ATOM 54 CG LYS A 4 -2.285 12.490 2.224 1.00 10.00 C ATOM 55 CD LYS A 4 -3.702 12.963 1.864 1.00 10.00 C ATOM 56 CE LYS A 4 -4.037 14.296 2.547 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.907 14.221 4.019 1.00 10.00 N ATOM 0 H LYS A 4 0.376 13.154 1.712 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.365 10.324 1.948 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.608 12.431 0.183 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.303 10.925 0.748 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.323 11.831 3.091 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.667 13.345 2.500 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.786 13.075 0.783 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -4.427 12.206 2.164 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.375 15.074 2.165 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -5.055 14.588 2.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.302 15.083 4.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.425 13.391 4.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -2.902 14.137 4.275 1.00 10.00 H new ATOM 71 N ALA A 5 0.906 9.642 -0.114 1.00 10.00 N ATOM 72 CA ALA A 5 1.583 9.083 -1.268 1.00 10.00 C ATOM 73 C ALA A 5 0.566 8.223 -1.999 1.00 10.00 C ATOM 74 O ALA A 5 -0.338 7.688 -1.351 1.00 10.00 O ATOM 75 CB ALA A 5 2.726 8.211 -0.764 1.00 10.00 C ATOM 0 H ALA A 5 0.790 8.954 0.630 1.00 10.00 H new ATOM 0 HA ALA A 5 1.978 9.854 -1.929 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.254 7.777 -1.613 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.417 8.819 -0.179 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.326 7.413 -0.138 1.00 10.00 H new ATOM 81 N GLU A 6 0.688 8.078 -3.318 1.00 10.00 N ATOM 82 CA GLU A 6 -0.307 7.412 -4.115 1.00 10.00 C ATOM 83 C GLU A 6 0.456 6.365 -4.892 1.00 10.00 C ATOM 84 O GLU A 6 1.508 6.671 -5.466 1.00 10.00 O ATOM 85 CB GLU A 6 -0.963 8.413 -5.059 1.00 10.00 C ATOM 86 CG GLU A 6 -2.250 7.841 -5.656 1.00 10.00 C ATOM 87 CD GLU A 6 -2.617 8.503 -6.982 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.047 9.575 -7.269 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.417 7.887 -7.717 1.00 10.00 O ATOM 0 H GLU A 6 1.485 8.424 -3.852 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.102 6.970 -3.514 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.186 9.334 -4.520 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.270 8.671 -5.860 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.132 6.768 -5.808 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.067 7.974 -4.947 1.00 10.00 H new ATOM 96 N PHE A 7 -0.071 5.148 -4.889 1.00 10.00 N ATOM 97 CA PHE A 7 0.492 4.006 -5.561 1.00 10.00 C ATOM 98 C PHE A 7 -0.576 3.331 -6.402 1.00 10.00 C ATOM 99 O PHE A 7 -1.771 3.538 -6.199 1.00 10.00 O ATOM 100 CB PHE A 7 1.035 3.022 -4.532 1.00 10.00 C ATOM 101 CG PHE A 7 1.826 3.622 -3.387 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.817 4.583 -3.644 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.639 3.162 -2.072 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.527 5.175 -2.592 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.395 3.712 -1.025 1.00 10.00 C ATOM 106 CZ PHE A 7 3.308 4.746 -1.276 1.00 10.00 C ATOM 0 H PHE A 7 -0.937 4.931 -4.396 1.00 10.00 H new ATOM 0 HA PHE A 7 1.305 4.333 -6.209 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.196 2.465 -4.114 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.671 2.302 -5.048 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.034 4.868 -4.663 1.00 10.00 H new ATOM 0 HD2 PHE A 7 0.915 2.387 -1.868 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.241 5.960 -2.794 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.273 3.336 -0.020 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.840 5.210 -0.459 1.00 10.00 H new ATOM 116 N ASP A 8 -0.116 2.508 -7.334 1.00 10.00 N ATOM 117 CA ASP A 8 -0.887 1.808 -8.340 1.00 10.00 C ATOM 118 C ASP A 8 -0.606 0.327 -8.132 1.00 10.00 C ATOM 119 O ASP A 8 0.561 -0.036 -7.963 1.00 10.00 O ATOM 120 CB ASP A 8 -0.399 2.363 -9.675 1.00 10.00 C ATOM 121 CG ASP A 8 -0.748 1.585 -10.928 1.00 10.00 C ATOM 122 OD1 ASP A 8 -0.526 0.357 -10.933 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.084 2.265 -11.923 1.00 10.00 O ATOM 0 H ASP A 8 0.880 2.300 -7.408 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.968 1.939 -8.295 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.796 3.372 -9.785 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.686 2.451 -9.626 1.00 10.00 H new ATOM 128 N ILE A 9 -1.662 -0.481 -8.013 1.00 10.00 N ATOM 129 CA ILE A 9 -1.575 -1.875 -7.591 1.00 10.00 C ATOM 130 C ILE A 9 -2.038 -2.789 -8.723 1.00 10.00 C ATOM 131 O ILE A 9 -3.048 -2.502 -9.355 1.00 10.00 O ATOM 132 CB ILE A 9 -2.402 -2.105 -6.325 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.150 -0.937 -5.360 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.999 -3.458 -5.704 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.696 -1.262 -3.984 1.00 10.00 C ATOM 0 H ILE A 9 -2.615 -0.177 -8.211 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.537 -2.112 -7.358 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.468 -2.142 -6.549 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.081 -0.734 -5.296 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.624 -0.033 -5.742 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.583 -3.632 -4.800 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.190 -4.258 -6.419 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.938 -3.442 -5.453 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.510 -0.425 -3.312 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.769 -1.442 -4.051 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -2.202 -2.154 -3.598 1.00 10.00 H new ATOM 147 N GLU A 10 -1.341 -3.904 -8.955 1.00 10.00 N ATOM 148 CA GLU A 10 -1.734 -4.896 -9.942 1.00 10.00 C ATOM 149 C GLU A 10 -1.681 -6.300 -9.353 1.00 10.00 C ATOM 150 O GLU A 10 -0.671 -6.702 -8.777 1.00 10.00 O ATOM 151 CB GLU A 10 -0.821 -4.814 -11.161 1.00 10.00 C ATOM 152 CG GLU A 10 -1.132 -3.562 -11.991 1.00 10.00 C ATOM 153 CD GLU A 10 -0.543 -3.669 -13.387 1.00 10.00 C ATOM 154 OE1 GLU A 10 -1.060 -4.497 -14.163 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.429 -2.925 -13.646 1.00 10.00 O ATOM 0 H GLU A 10 -0.483 -4.140 -8.456 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.760 -4.686 -10.244 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.221 -4.794 -10.840 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.948 -5.705 -11.776 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -2.211 -3.426 -12.058 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.730 -2.681 -11.490 1.00 10.00 H new ATOM 162 N GLY A 11 -2.769 -7.046 -9.547 1.00 10.00 N ATOM 163 CA GLY A 11 -2.903 -8.449 -9.194 1.00 10.00 C ATOM 164 C GLY A 11 -4.253 -8.707 -8.528 1.00 10.00 C ATOM 165 O GLY A 11 -5.005 -9.544 -9.014 1.00 10.00 O ATOM 0 H GLY A 11 -3.615 -6.667 -9.973 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -2.808 -9.066 -10.088 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.097 -8.739 -8.520 1.00 10.00 H new ATOM 169 N MET A 12 -4.536 -7.984 -7.433 1.00 10.00 N ATOM 170 CA MET A 12 -5.718 -8.065 -6.583 1.00 10.00 C ATOM 171 C MET A 12 -6.966 -8.629 -7.267 1.00 10.00 C ATOM 172 O MET A 12 -7.783 -7.916 -7.841 1.00 10.00 O ATOM 173 CB MET A 12 -5.988 -6.715 -5.910 1.00 10.00 C ATOM 174 CG MET A 12 -6.076 -5.549 -6.905 1.00 10.00 C ATOM 175 SD MET A 12 -6.879 -4.058 -6.259 1.00 10.00 S ATOM 176 CE MET A 12 -5.825 -3.717 -4.840 1.00 10.00 C ATOM 0 H MET A 12 -3.887 -7.272 -7.099 1.00 10.00 H new ATOM 0 HA MET A 12 -5.483 -8.803 -5.816 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.920 -6.776 -5.349 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.196 -6.511 -5.190 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.068 -5.290 -7.230 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.620 -5.884 -7.788 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.150 -2.795 -4.358 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.893 -4.541 -4.130 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.792 -3.608 -5.172 1.00 10.00 H new ATOM 186 N THR A 13 -7.117 -9.940 -7.157 1.00 10.00 N ATOM 187 CA THR A 13 -8.222 -10.668 -7.744 1.00 10.00 C ATOM 188 C THR A 13 -9.485 -10.419 -6.926 1.00 10.00 C ATOM 189 O THR A 13 -10.559 -10.247 -7.500 1.00 10.00 O ATOM 190 CB THR A 13 -7.866 -12.159 -7.806 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.276 -12.544 -6.580 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.868 -12.435 -8.934 1.00 10.00 C ATOM 0 H THR A 13 -6.462 -10.534 -6.648 1.00 10.00 H new ATOM 0 HA THR A 13 -8.411 -10.323 -8.761 1.00 10.00 H new ATOM 0 HB THR A 13 -8.779 -12.725 -7.992 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.047 -13.496 -6.612 1.00 10.00 H new ATOM 0 HG21 THR A 13 -6.631 -13.499 -8.958 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.306 -12.139 -9.887 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.956 -11.864 -8.761 1.00 10.00 H new ATOM 200 N CYS A 14 -9.357 -10.412 -5.593 1.00 10.00 N ATOM 201 CA CYS A 14 -10.477 -10.277 -4.680 1.00 10.00 C ATOM 202 C CYS A 14 -10.303 -9.080 -3.747 1.00 10.00 C ATOM 203 O CYS A 14 -9.190 -8.635 -3.469 1.00 10.00 O ATOM 204 CB CYS A 14 -10.640 -11.581 -3.893 1.00 10.00 C ATOM 205 SG CYS A 14 -9.230 -12.015 -2.844 1.00 10.00 S ATOM 0 H CYS A 14 -8.457 -10.502 -5.122 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.383 -10.090 -5.256 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.530 -11.503 -3.268 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.815 -12.394 -4.597 1.00 10.00 H new ATOM 0 HG CYS A 14 -8.143 -11.511 -3.348 1.00 10.00 H new ATOM 210 N ALA A 15 -11.413 -8.585 -3.198 1.00 10.00 N ATOM 211 CA ALA A 15 -11.386 -7.522 -2.202 1.00 10.00 C ATOM 212 C ALA A 15 -10.500 -7.896 -1.009 1.00 10.00 C ATOM 213 O ALA A 15 -9.900 -7.024 -0.386 1.00 10.00 O ATOM 214 CB ALA A 15 -12.812 -7.201 -1.752 1.00 10.00 C ATOM 0 H ALA A 15 -12.351 -8.910 -3.432 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.951 -6.631 -2.656 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.788 -6.406 -1.007 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.400 -6.877 -2.610 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.266 -8.092 -1.317 1.00 10.00 H new ATOM 220 N ALA A 16 -10.396 -9.191 -0.688 1.00 10.00 N ATOM 221 CA ALA A 16 -9.502 -9.659 0.357 1.00 10.00 C ATOM 222 C ALA A 16 -8.036 -9.348 0.031 1.00 10.00 C ATOM 223 O ALA A 16 -7.287 -9.025 0.959 1.00 10.00 O ATOM 224 CB ALA A 16 -9.738 -11.144 0.656 1.00 10.00 C ATOM 0 H ALA A 16 -10.928 -9.932 -1.145 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.733 -9.110 1.270 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.056 -11.470 1.442 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.767 -11.290 0.985 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.559 -11.730 -0.246 1.00 10.00 H new ATOM 230 N CYS A 17 -7.620 -9.416 -1.242 1.00 10.00 N ATOM 231 CA CYS A 17 -6.278 -9.004 -1.635 1.00 10.00 C ATOM 232 C CYS A 17 -6.079 -7.544 -1.246 1.00 10.00 C ATOM 233 O CYS A 17 -5.124 -7.198 -0.553 1.00 10.00 O ATOM 234 CB CYS A 17 -6.048 -9.174 -3.144 1.00 10.00 C ATOM 235 SG CYS A 17 -5.689 -10.853 -3.723 1.00 10.00 S ATOM 0 H CYS A 17 -8.198 -9.753 -2.012 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.558 -9.639 -1.120 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.935 -8.815 -3.667 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.221 -8.528 -3.438 1.00 10.00 H new ATOM 0 HG CYS A 17 -6.435 -11.126 -4.752 1.00 10.00 H new ATOM 240 N ALA A 18 -6.997 -6.686 -1.685 1.00 10.00 N ATOM 241 CA ALA A 18 -6.929 -5.267 -1.387 1.00 10.00 C ATOM 242 C ALA A 18 -6.890 -5.032 0.126 1.00 10.00 C ATOM 243 O ALA A 18 -5.971 -4.402 0.626 1.00 10.00 O ATOM 244 CB ALA A 18 -8.076 -4.548 -2.090 1.00 10.00 C ATOM 0 H ALA A 18 -7.800 -6.957 -2.252 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.002 -4.844 -1.773 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.028 -3.482 -1.868 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.995 -4.699 -3.166 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.027 -4.949 -1.739 1.00 10.00 H new ATOM 250 N ASN A 19 -7.836 -5.586 0.884 1.00 10.00 N ATOM 251 CA ASN A 19 -7.860 -5.474 2.344 1.00 10.00 C ATOM 252 C ASN A 19 -6.500 -5.840 2.968 1.00 10.00 C ATOM 253 O ASN A 19 -6.030 -5.201 3.911 1.00 10.00 O ATOM 254 CB ASN A 19 -8.987 -6.370 2.873 1.00 10.00 C ATOM 255 CG ASN A 19 -9.237 -6.213 4.372 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.365 -6.481 5.191 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.459 -5.843 4.748 1.00 10.00 N ATOM 0 H ASN A 19 -8.611 -6.128 0.502 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.050 -4.439 2.629 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.906 -6.141 2.333 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.743 -7.411 2.660 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.689 -5.777 5.739 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.165 -5.626 4.045 1.00 10.00 H new ATOM 264 N ARG A 20 -5.838 -6.863 2.418 1.00 10.00 N ATOM 265 CA ARG A 20 -4.537 -7.308 2.874 1.00 10.00 C ATOM 266 C ARG A 20 -3.462 -6.225 2.717 1.00 10.00 C ATOM 267 O ARG A 20 -2.534 -6.176 3.528 1.00 10.00 O ATOM 268 CB ARG A 20 -4.192 -8.616 2.151 1.00 10.00 C ATOM 269 CG ARG A 20 -4.404 -9.832 3.067 1.00 10.00 C ATOM 270 CD ARG A 20 -4.967 -11.057 2.321 1.00 10.00 C ATOM 271 NE ARG A 20 -5.830 -11.863 3.201 1.00 10.00 N ATOM 272 CZ ARG A 20 -7.020 -11.464 3.687 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.565 -10.309 3.289 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.657 -12.216 4.593 1.00 10.00 N ATOM 0 H ARG A 20 -6.203 -7.405 1.635 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.570 -7.502 3.946 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.812 -8.716 1.260 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.155 -8.587 1.816 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.455 -10.101 3.531 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.086 -9.559 3.872 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.536 -10.727 1.451 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.146 -11.670 1.951 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.501 -12.793 3.462 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.078 -9.722 2.611 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.467 -10.015 3.663 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -7.240 -13.090 4.914 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -8.559 -11.915 4.962 1.00 10.00 H new ATOM 288 N ILE A 21 -3.603 -5.337 1.727 1.00 10.00 N ATOM 289 CA ILE A 21 -2.763 -4.145 1.615 1.00 10.00 C ATOM 290 C ILE A 21 -2.814 -3.403 2.943 1.00 10.00 C ATOM 291 O ILE A 21 -1.786 -3.218 3.587 1.00 10.00 O ATOM 292 CB ILE A 21 -3.210 -3.205 0.471 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.160 -3.867 -0.909 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.415 -1.896 0.456 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.740 -4.010 -1.456 1.00 10.00 C ATOM 0 H ILE A 21 -4.299 -5.425 0.986 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.748 -4.462 1.378 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.254 -2.975 0.684 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.620 -4.853 -0.849 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.755 -3.280 -1.609 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.764 -1.268 -0.364 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.559 -1.372 1.401 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.356 -2.115 0.320 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -1.774 -4.486 -2.436 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.284 -3.024 -1.547 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.148 -4.622 -0.776 1.00 10.00 H new ATOM 307 N GLU A 22 -4.013 -2.995 3.361 1.00 10.00 N ATOM 308 CA GLU A 22 -4.189 -2.164 4.539 1.00 10.00 C ATOM 309 C GLU A 22 -3.578 -2.837 5.762 1.00 10.00 C ATOM 310 O GLU A 22 -2.839 -2.204 6.511 1.00 10.00 O ATOM 311 CB GLU A 22 -5.670 -1.854 4.763 1.00 10.00 C ATOM 312 CG GLU A 22 -6.326 -1.342 3.476 1.00 10.00 C ATOM 313 CD GLU A 22 -7.571 -0.490 3.720 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.964 -0.359 4.899 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.106 0.024 2.712 1.00 10.00 O ATOM 0 H GLU A 22 -4.885 -3.234 2.889 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.670 -1.219 4.378 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.185 -2.751 5.105 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.774 -1.107 5.550 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.598 -0.755 2.916 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.596 -2.194 2.852 1.00 10.00 H new ATOM 322 N LYS A 23 -3.863 -4.128 5.947 1.00 10.00 N ATOM 323 CA LYS A 23 -3.296 -4.933 7.004 1.00 10.00 C ATOM 324 C LYS A 23 -1.767 -4.831 7.007 1.00 10.00 C ATOM 325 O LYS A 23 -1.171 -4.486 8.029 1.00 10.00 O ATOM 326 CB LYS A 23 -3.754 -6.375 6.775 1.00 10.00 C ATOM 327 CG LYS A 23 -5.134 -6.696 7.365 1.00 10.00 C ATOM 328 CD LYS A 23 -5.048 -7.421 8.720 1.00 10.00 C ATOM 329 CE LYS A 23 -4.435 -6.546 9.826 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.495 -7.201 11.149 1.00 10.00 N ATOM 0 H LYS A 23 -4.509 -4.643 5.348 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.635 -4.580 7.978 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.774 -6.572 5.703 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.019 -7.052 7.210 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.696 -5.770 7.488 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.690 -7.315 6.661 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -6.047 -7.735 9.023 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.451 -8.326 8.606 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.397 -6.324 9.579 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.963 -5.594 9.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.071 -6.577 11.865 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.487 -7.390 11.398 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.969 -8.098 11.117 1.00 10.00 H new ATOM 344 N ARG A 24 -1.124 -5.157 5.883 1.00 10.00 N ATOM 345 CA ARG A 24 0.331 -5.135 5.816 1.00 10.00 C ATOM 346 C ARG A 24 0.877 -3.728 6.036 1.00 10.00 C ATOM 347 O ARG A 24 1.824 -3.564 6.800 1.00 10.00 O ATOM 348 CB ARG A 24 0.847 -5.742 4.505 1.00 10.00 C ATOM 349 CG ARG A 24 1.314 -7.186 4.736 1.00 10.00 C ATOM 350 CD ARG A 24 2.691 -7.227 5.409 1.00 10.00 C ATOM 351 NE ARG A 24 3.010 -8.588 5.863 1.00 10.00 N ATOM 352 CZ ARG A 24 4.053 -8.901 6.645 1.00 10.00 C ATOM 353 NH1 ARG A 24 4.944 -7.956 6.972 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.193 -10.151 7.105 1.00 10.00 N ATOM 0 H ARG A 24 -1.586 -5.436 5.018 1.00 10.00 H new ATOM 0 HA ARG A 24 0.703 -5.760 6.628 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.059 -5.723 3.752 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.672 -5.143 4.118 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.588 -7.710 5.357 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.357 -7.713 3.783 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.453 -6.884 4.709 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.707 -6.543 6.257 1.00 10.00 H new ATOM 0 HE ARG A 24 2.396 -9.346 5.563 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.827 -7.003 6.626 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.739 -8.189 7.567 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.506 -10.864 6.860 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.986 -10.390 7.700 1.00 10.00 H new ATOM 368 N LEU A 25 0.290 -2.721 5.391 1.00 10.00 N ATOM 369 CA LEU A 25 0.742 -1.346 5.552 1.00 10.00 C ATOM 370 C LEU A 25 0.630 -0.903 7.010 1.00 10.00 C ATOM 371 O LEU A 25 1.580 -0.356 7.555 1.00 10.00 O ATOM 372 CB LEU A 25 -0.038 -0.411 4.624 1.00 10.00 C ATOM 373 CG LEU A 25 0.236 -0.676 3.136 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.645 0.270 2.327 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.691 -0.417 2.746 1.00 10.00 C ATOM 0 H LEU A 25 -0.498 -2.834 4.754 1.00 10.00 H new ATOM 0 HA LEU A 25 1.794 -1.295 5.272 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.105 -0.524 4.817 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.221 0.622 4.857 1.00 10.00 H new ATOM 0 HG LEU A 25 0.022 -1.726 2.936 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.474 0.106 1.263 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.693 0.079 2.559 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.399 1.301 2.580 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.825 -0.621 1.684 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.943 0.624 2.950 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.345 -1.069 3.326 1.00 10.00 H new ATOM 387 N ASN A 26 -0.499 -1.177 7.666 1.00 10.00 N ATOM 388 CA ASN A 26 -0.675 -0.893 9.088 1.00 10.00 C ATOM 389 C ASN A 26 0.411 -1.574 9.919 1.00 10.00 C ATOM 390 O ASN A 26 0.853 -1.042 10.932 1.00 10.00 O ATOM 391 CB ASN A 26 -2.054 -1.367 9.560 1.00 10.00 C ATOM 392 CG ASN A 26 -3.124 -0.295 9.386 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.523 0.354 10.346 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.614 -0.108 8.164 1.00 10.00 N ATOM 0 H ASN A 26 -1.315 -1.602 7.225 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.597 0.185 9.226 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.341 -2.258 9.001 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.998 -1.654 10.610 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.341 0.590 8.007 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.263 -0.663 7.383 1.00 10.00 H new ATOM 401 N LYS A 27 0.827 -2.772 9.504 1.00 10.00 N ATOM 402 CA LYS A 27 1.924 -3.487 10.138 1.00 10.00 C ATOM 403 C LYS A 27 3.273 -2.756 10.023 1.00 10.00 C ATOM 404 O LYS A 27 4.175 -3.076 10.794 1.00 10.00 O ATOM 405 CB LYS A 27 1.997 -4.926 9.597 1.00 10.00 C ATOM 406 CG LYS A 27 1.613 -5.941 10.676 1.00 10.00 C ATOM 407 CD LYS A 27 1.573 -7.353 10.073 1.00 10.00 C ATOM 408 CE LYS A 27 1.106 -8.410 11.086 1.00 10.00 C ATOM 409 NZ LYS A 27 2.034 -8.554 12.230 1.00 10.00 N ATOM 0 H LYS A 27 0.409 -3.270 8.718 1.00 10.00 H new ATOM 0 HA LYS A 27 1.713 -3.526 11.207 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.330 -5.030 8.741 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.006 -5.133 9.241 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.333 -5.905 11.494 1.00 10.00 H new ATOM 0 HG3 LYS A 27 0.640 -5.688 11.096 1.00 10.00 H new ATOM 0 HD2 LYS A 27 0.905 -7.359 9.212 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.565 -7.617 9.708 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.117 -8.140 11.457 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.005 -9.371 10.582 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.680 -9.291 12.873 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.976 -8.822 11.881 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.098 -7.650 12.741 1.00 10.00 H new ATOM 423 N ILE A 28 3.438 -1.818 9.084 1.00 10.00 N ATOM 424 CA ILE A 28 4.634 -0.985 8.998 1.00 10.00 C ATOM 425 C ILE A 28 4.466 0.199 9.951 1.00 10.00 C ATOM 426 O ILE A 28 3.436 0.873 9.972 1.00 10.00 O ATOM 427 CB ILE A 28 4.879 -0.485 7.563 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.773 -1.557 6.478 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.174 0.334 7.435 1.00 10.00 C ATOM 430 CD1 ILE A 28 6.009 -2.426 6.505 1.00 10.00 C ATOM 0 H ILE A 28 2.744 -1.618 8.364 1.00 10.00 H new ATOM 0 HA ILE A 28 5.502 -1.581 9.280 1.00 10.00 H new ATOM 0 HB ILE A 28 4.042 0.187 7.373 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.884 -2.166 6.640 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.666 -1.089 5.499 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.297 0.661 6.403 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.120 1.205 8.088 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.025 -0.283 7.724 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.933 -3.190 5.732 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.890 -1.811 6.323 1.00 10.00 H new ATOM 0 HD13 ILE A 28 6.096 -2.904 7.480 1.00 10.00 H new ATOM 442 N GLU A 29 5.503 0.457 10.737 1.00 10.00 N ATOM 443 CA GLU A 29 5.556 1.565 11.672 1.00 10.00 C ATOM 444 C GLU A 29 5.699 2.881 10.903 1.00 10.00 C ATOM 445 O GLU A 29 6.321 2.926 9.848 1.00 10.00 O ATOM 446 CB GLU A 29 6.679 1.314 12.687 1.00 10.00 C ATOM 447 CG GLU A 29 8.077 1.147 12.067 1.00 10.00 C ATOM 448 CD GLU A 29 8.882 0.100 12.825 1.00 10.00 C ATOM 449 OE1 GLU A 29 9.340 0.432 13.939 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.982 -1.027 12.294 1.00 10.00 O ATOM 0 H GLU A 29 6.348 -0.114 10.740 1.00 10.00 H new ATOM 0 HA GLU A 29 4.630 1.644 12.242 1.00 10.00 H new ATOM 0 HB2 GLU A 29 6.706 2.145 13.392 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.440 0.417 13.259 1.00 10.00 H new ATOM 0 HG2 GLU A 29 7.984 0.854 11.021 1.00 10.00 H new ATOM 0 HG3 GLU A 29 8.604 2.101 12.085 1.00 10.00 H new ATOM 457 N GLY A 30 5.066 3.947 11.395 1.00 10.00 N ATOM 458 CA GLY A 30 5.102 5.259 10.761 1.00 10.00 C ATOM 459 C GLY A 30 3.925 5.477 9.813 1.00 10.00 C ATOM 460 O GLY A 30 3.683 6.607 9.389 1.00 10.00 O ATOM 0 H GLY A 30 4.511 3.921 12.250 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.095 6.032 11.530 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.035 5.368 10.209 1.00 10.00 H new ATOM 464 N VAL A 31 3.176 4.421 9.478 1.00 10.00 N ATOM 465 CA VAL A 31 2.009 4.551 8.623 1.00 10.00 C ATOM 466 C VAL A 31 0.851 5.120 9.442 1.00 10.00 C ATOM 467 O VAL A 31 0.452 4.539 10.448 1.00 10.00 O ATOM 468 CB VAL A 31 1.670 3.211 7.950 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.433 3.346 7.049 1.00 10.00 C ATOM 470 CG2 VAL A 31 2.853 2.747 7.089 1.00 10.00 C ATOM 0 H VAL A 31 3.364 3.468 9.791 1.00 10.00 H new ATOM 0 HA VAL A 31 2.216 5.248 7.811 1.00 10.00 H new ATOM 0 HB VAL A 31 1.464 2.484 8.735 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.214 2.384 6.585 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.421 3.662 7.648 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.627 4.087 6.274 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.607 1.797 6.615 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.059 3.493 6.322 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.734 2.621 7.719 1.00 10.00 H new ATOM 480 N ALA A 32 0.322 6.266 9.009 1.00 10.00 N ATOM 481 CA ALA A 32 -0.808 6.930 9.633 1.00 10.00 C ATOM 482 C ALA A 32 -2.119 6.345 9.110 1.00 10.00 C ATOM 483 O ALA A 32 -3.038 6.118 9.894 1.00 10.00 O ATOM 484 CB ALA A 32 -0.725 8.438 9.383 1.00 10.00 C ATOM 0 H ALA A 32 0.681 6.764 8.195 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.779 6.763 10.710 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.575 8.932 9.853 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.201 8.827 9.807 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.741 8.630 8.310 1.00 10.00 H new ATOM 490 N ASN A 33 -2.230 6.104 7.798 1.00 10.00 N ATOM 491 CA ASN A 33 -3.416 5.486 7.213 1.00 10.00 C ATOM 492 C ASN A 33 -3.082 4.998 5.806 1.00 10.00 C ATOM 493 O ASN A 33 -2.003 5.291 5.298 1.00 10.00 O ATOM 494 CB ASN A 33 -4.623 6.444 7.219 1.00 10.00 C ATOM 495 CG ASN A 33 -4.360 7.726 6.436 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.399 7.718 5.210 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.094 8.824 7.143 1.00 10.00 N ATOM 0 H ASN A 33 -1.503 6.332 7.120 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.708 4.631 7.823 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.488 5.935 6.794 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.876 6.697 8.249 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -3.912 9.707 6.665 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.073 8.782 8.162 1.00 10.00 H new ATOM 504 N ALA A 34 -3.984 4.223 5.198 1.00 10.00 N ATOM 505 CA ALA A 34 -3.776 3.595 3.900 1.00 10.00 C ATOM 506 C ALA A 34 -5.049 2.978 3.300 1.00 10.00 C ATOM 507 O ALA A 34 -5.032 1.795 2.966 1.00 10.00 O ATOM 508 CB ALA A 34 -2.686 2.526 4.023 1.00 10.00 C ATOM 0 H ALA A 34 -4.895 4.013 5.606 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.469 4.385 3.214 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.528 2.054 3.053 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.758 2.990 4.356 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.996 1.772 4.747 1.00 10.00 H new ATOM 514 N PRO A 35 -6.142 3.738 3.127 1.00 10.00 N ATOM 515 CA PRO A 35 -7.338 3.223 2.477 1.00 10.00 C ATOM 516 C PRO A 35 -7.045 2.866 1.010 1.00 10.00 C ATOM 517 O PRO A 35 -6.574 3.724 0.260 1.00 10.00 O ATOM 518 CB PRO A 35 -8.383 4.335 2.613 1.00 10.00 C ATOM 519 CG PRO A 35 -7.547 5.609 2.742 1.00 10.00 C ATOM 520 CD PRO A 35 -6.308 5.134 3.499 1.00 10.00 C ATOM 0 HA PRO A 35 -7.697 2.300 2.933 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.040 4.374 1.744 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.017 4.183 3.486 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.290 6.023 1.767 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.080 6.387 3.288 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.431 5.721 3.225 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.440 5.241 4.576 1.00 10.00 H new ATOM 528 N VAL A 36 -7.308 1.617 0.594 1.00 10.00 N ATOM 529 CA VAL A 36 -7.172 1.183 -0.800 1.00 10.00 C ATOM 530 C VAL A 36 -8.526 1.176 -1.517 1.00 10.00 C ATOM 531 O VAL A 36 -9.562 0.955 -0.893 1.00 10.00 O ATOM 532 CB VAL A 36 -6.432 -0.162 -0.892 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.170 -1.295 -0.189 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.175 -0.600 -2.340 1.00 10.00 C ATOM 0 H VAL A 36 -7.623 0.877 1.222 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.554 1.910 -1.327 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.482 0.022 -0.389 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.599 -2.218 -0.288 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.287 -1.053 0.867 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.153 -1.426 -0.642 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.650 -1.555 -2.343 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.126 -0.707 -2.862 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.566 0.150 -2.844 1.00 10.00 H new ATOM 544 N ASN A 37 -8.520 1.429 -2.833 1.00 10.00 N ATOM 545 CA ASN A 37 -9.731 1.612 -3.624 1.00 10.00 C ATOM 546 C ASN A 37 -9.837 0.607 -4.780 1.00 10.00 C ATOM 547 O ASN A 37 -9.133 0.721 -5.787 1.00 10.00 O ATOM 548 CB ASN A 37 -9.755 3.043 -4.149 1.00 10.00 C ATOM 549 CG ASN A 37 -10.882 3.198 -5.153 1.00 10.00 C ATOM 550 OD1 ASN A 37 -12.052 3.022 -4.832 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.522 3.478 -6.394 1.00 10.00 N ATOM 0 H ASN A 37 -7.662 1.512 -3.378 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.593 1.429 -2.983 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.891 3.742 -3.324 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.801 3.285 -4.618 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.229 3.555 -7.125 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.537 3.617 -6.620 1.00 10.00 H new ATOM 558 N PHE A 38 -10.772 -0.341 -4.656 1.00 10.00 N ATOM 559 CA PHE A 38 -11.023 -1.397 -5.634 1.00 10.00 C ATOM 560 C PHE A 38 -11.837 -0.863 -6.823 1.00 10.00 C ATOM 561 O PHE A 38 -12.982 -1.258 -7.029 1.00 10.00 O ATOM 562 CB PHE A 38 -11.729 -2.570 -4.932 1.00 10.00 C ATOM 563 CG PHE A 38 -11.453 -3.933 -5.545 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.129 -4.360 -6.704 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.466 -4.756 -4.976 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.783 -5.583 -7.309 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.123 -5.978 -5.577 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.775 -6.389 -6.752 1.00 10.00 C ATOM 0 H PHE A 38 -11.392 -0.393 -3.847 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.077 -1.754 -6.042 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.423 -2.588 -3.886 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.804 -2.391 -4.946 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -12.912 -3.750 -7.128 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -9.967 -4.446 -4.069 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.294 -5.903 -8.205 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.359 -6.601 -5.137 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.503 -7.321 -7.225 1.00 10.00 H new ATOM 578 N ALA A 39 -11.253 0.059 -7.586 1.00 10.00 N ATOM 579 CA ALA A 39 -11.846 0.588 -8.815 1.00 10.00 C ATOM 580 C ALA A 39 -10.837 1.324 -9.701 1.00 10.00 C ATOM 581 O ALA A 39 -10.946 1.290 -10.924 1.00 10.00 O ATOM 582 CB ALA A 39 -13.000 1.529 -8.464 1.00 10.00 C ATOM 0 H ALA A 39 -10.344 0.465 -7.366 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.207 -0.267 -9.386 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.440 1.922 -9.380 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.758 0.982 -7.903 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.625 2.354 -7.859 1.00 10.00 H new ATOM 588 N LEU A 40 -9.914 2.068 -9.082 1.00 10.00 N ATOM 589 CA LEU A 40 -8.811 2.748 -9.767 1.00 10.00 C ATOM 590 C LEU A 40 -7.538 1.908 -9.679 1.00 10.00 C ATOM 591 O LEU A 40 -6.546 2.224 -10.331 1.00 10.00 O ATOM 592 CB LEU A 40 -8.525 4.116 -9.124 1.00 10.00 C ATOM 593 CG LEU A 40 -9.700 5.053 -9.017 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.495 6.132 -7.943 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.010 5.697 -10.359 1.00 10.00 C ATOM 0 H LEU A 40 -9.913 2.217 -8.073 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.105 2.885 -10.807 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.126 3.949 -8.123 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.743 4.610 -9.700 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.553 4.447 -8.711 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.370 6.780 -7.907 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.355 5.657 -6.972 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.614 6.725 -8.187 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.862 6.368 -10.252 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.143 6.263 -10.700 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.247 4.922 -11.088 1.00 10.00 H new ATOM 607 N GLU A 41 -7.559 0.903 -8.801 1.00 10.00 N ATOM 608 CA GLU A 41 -6.443 0.038 -8.476 1.00 10.00 C ATOM 609 C GLU A 41 -5.309 0.874 -7.897 1.00 10.00 C ATOM 610 O GLU A 41 -4.157 0.783 -8.314 1.00 10.00 O ATOM 611 CB GLU A 41 -6.012 -0.802 -9.679 1.00 10.00 C ATOM 612 CG GLU A 41 -6.997 -1.926 -9.998 1.00 10.00 C ATOM 613 CD GLU A 41 -8.294 -1.412 -10.609 1.00 10.00 C ATOM 614 OE1 GLU A 41 -8.288 -1.203 -11.841 1.00 10.00 O ATOM 615 OE2 GLU A 41 -9.253 -1.221 -9.827 1.00 10.00 O ATOM 0 H GLU A 41 -8.401 0.666 -8.276 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.751 -0.680 -7.716 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.911 -0.155 -10.551 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.029 -1.231 -9.484 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.529 -2.630 -10.687 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.223 -2.476 -9.085 1.00 10.00 H new ATOM 622 N THR A 42 -5.659 1.675 -6.895 1.00 10.00 N ATOM 623 CA THR A 42 -4.746 2.569 -6.215 1.00 10.00 C ATOM 624 C THR A 42 -5.026 2.544 -4.717 1.00 10.00 C ATOM 625 O THR A 42 -6.159 2.310 -4.285 1.00 10.00 O ATOM 626 CB THR A 42 -4.836 3.976 -6.841 1.00 10.00 C ATOM 627 OG1 THR A 42 -3.906 4.051 -7.901 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.567 5.137 -5.876 1.00 10.00 C ATOM 0 H THR A 42 -6.610 1.716 -6.529 1.00 10.00 H new ATOM 0 HA THR A 42 -3.714 2.240 -6.342 1.00 10.00 H new ATOM 0 HB THR A 42 -5.868 4.094 -7.170 1.00 10.00 H new ATOM 0 HG1 THR A 42 -3.002 3.897 -7.555 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.654 6.083 -6.411 1.00 10.00 H new ATOM 0 HG22 THR A 42 -5.294 5.111 -5.064 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.562 5.044 -5.466 1.00 10.00 H new ATOM 636 N VAL A 43 -3.964 2.789 -3.946 1.00 10.00 N ATOM 637 CA VAL A 43 -4.018 3.065 -2.523 1.00 10.00 C ATOM 638 C VAL A 43 -3.369 4.423 -2.292 1.00 10.00 C ATOM 639 O VAL A 43 -2.365 4.749 -2.930 1.00 10.00 O ATOM 640 CB VAL A 43 -3.328 1.943 -1.725 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.845 1.804 -2.087 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.463 2.153 -0.212 1.00 10.00 C ATOM 0 H VAL A 43 -3.013 2.799 -4.316 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.049 3.096 -2.171 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.841 1.022 -2.001 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.401 1.001 -1.499 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.750 1.573 -3.148 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.329 2.739 -1.872 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.963 1.340 0.314 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.004 3.102 0.066 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.518 2.167 0.061 1.00 10.00 H new ATOM 652 N THR A 44 -3.960 5.195 -1.384 1.00 10.00 N ATOM 653 CA THR A 44 -3.457 6.461 -0.909 1.00 10.00 C ATOM 654 C THR A 44 -2.909 6.211 0.490 1.00 10.00 C ATOM 655 O THR A 44 -3.699 6.043 1.418 1.00 10.00 O ATOM 656 CB THR A 44 -4.654 7.412 -0.862 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.747 6.748 -0.259 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.057 7.866 -2.266 1.00 10.00 C ATOM 0 H THR A 44 -4.843 4.934 -0.945 1.00 10.00 H new ATOM 0 HA THR A 44 -2.675 6.887 -1.538 1.00 10.00 H new ATOM 0 HB THR A 44 -4.373 8.292 -0.284 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.435 6.251 0.526 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.910 8.541 -2.199 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.220 8.384 -2.735 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.328 6.997 -2.866 1.00 10.00 H new ATOM 666 N VAL A 45 -1.587 6.133 0.639 1.00 10.00 N ATOM 667 CA VAL A 45 -0.952 5.801 1.906 1.00 10.00 C ATOM 668 C VAL A 45 -0.462 7.082 2.551 1.00 10.00 C ATOM 669 O VAL A 45 0.312 7.813 1.936 1.00 10.00 O ATOM 670 CB VAL A 45 0.202 4.820 1.684 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.821 4.358 3.012 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.319 3.582 0.957 1.00 10.00 C ATOM 0 H VAL A 45 -0.927 6.300 -0.121 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.670 5.316 2.567 1.00 10.00 H new ATOM 0 HB VAL A 45 0.962 5.337 1.098 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.636 3.663 2.811 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.206 5.222 3.554 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.061 3.861 3.614 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.501 2.882 0.798 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.092 3.105 1.559 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.738 3.875 -0.006 1.00 10.00 H new ATOM 682 N GLU A 46 -0.886 7.330 3.790 1.00 10.00 N ATOM 683 CA GLU A 46 -0.315 8.383 4.606 1.00 10.00 C ATOM 684 C GLU A 46 0.724 7.781 5.549 1.00 10.00 C ATOM 685 O GLU A 46 0.395 6.899 6.344 1.00 10.00 O ATOM 686 CB GLU A 46 -1.402 9.139 5.367 1.00 10.00 C ATOM 687 CG GLU A 46 -0.878 10.527 5.760 1.00 10.00 C ATOM 688 CD GLU A 46 -1.861 11.317 6.602 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.076 11.214 6.310 1.00 10.00 O ATOM 690 OE2 GLU A 46 -1.366 12.032 7.501 1.00 10.00 O ATOM 0 H GLU A 46 -1.631 6.806 4.248 1.00 10.00 H new ATOM 0 HA GLU A 46 0.180 9.111 3.963 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.294 9.237 4.748 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.692 8.582 6.258 1.00 10.00 H new ATOM 0 HG2 GLU A 46 0.055 10.414 6.312 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -0.647 11.091 4.856 1.00 10.00 H new ATOM 697 N TYR A 47 1.964 8.267 5.477 1.00 10.00 N ATOM 698 CA TYR A 47 3.050 7.914 6.383 1.00 10.00 C ATOM 699 C TYR A 47 3.986 9.110 6.482 1.00 10.00 C ATOM 700 O TYR A 47 3.742 10.121 5.819 1.00 10.00 O ATOM 701 CB TYR A 47 3.806 6.668 5.895 1.00 10.00 C ATOM 702 CG TYR A 47 4.490 6.806 4.547 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.734 6.681 3.369 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.878 7.033 4.456 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.353 6.790 2.119 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.485 7.218 3.201 1.00 10.00 C ATOM 707 CZ TYR A 47 5.712 7.120 2.032 1.00 10.00 C ATOM 708 OH TYR A 47 6.267 7.350 0.811 1.00 10.00 O ATOM 0 H TYR A 47 2.246 8.938 4.763 1.00 10.00 H new ATOM 0 HA TYR A 47 2.644 7.670 7.365 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.558 6.406 6.639 1.00 10.00 H new ATOM 0 HB3 TYR A 47 3.104 5.835 5.844 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.671 6.500 3.429 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.478 7.065 5.354 1.00 10.00 H new ATOM 0 HE1 TYR A 47 3.782 6.619 1.219 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.541 7.435 3.136 1.00 10.00 H new ATOM 0 HH TYR A 47 7.216 7.568 0.919 1.00 10.00 H new ATOM 718 N ASN A 48 5.048 8.998 7.288 1.00 10.00 N ATOM 719 CA ASN A 48 6.087 9.999 7.396 1.00 10.00 C ATOM 720 C ASN A 48 7.405 9.438 6.843 1.00 10.00 C ATOM 721 O ASN A 48 7.824 8.354 7.248 1.00 10.00 O ATOM 722 CB ASN A 48 6.207 10.449 8.854 1.00 10.00 C ATOM 723 CG ASN A 48 6.635 9.367 9.846 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.405 8.181 9.640 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.248 9.805 10.942 1.00 10.00 N ATOM 0 H ASN A 48 5.202 8.189 7.890 1.00 10.00 H new ATOM 0 HA ASN A 48 5.836 10.877 6.801 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.925 11.268 8.905 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.244 10.849 9.173 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.549 9.143 11.657 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.417 10.803 11.068 1.00 10.00 H new ATOM 732 N PRO A 49 8.079 10.141 5.917 1.00 10.00 N ATOM 733 CA PRO A 49 9.316 9.681 5.302 1.00 10.00 C ATOM 734 C PRO A 49 10.475 9.854 6.287 1.00 10.00 C ATOM 735 O PRO A 49 11.350 10.698 6.104 1.00 10.00 O ATOM 736 CB PRO A 49 9.473 10.536 4.041 1.00 10.00 C ATOM 737 CG PRO A 49 8.834 11.860 4.457 1.00 10.00 C ATOM 738 CD PRO A 49 7.661 11.399 5.321 1.00 10.00 C ATOM 0 HA PRO A 49 9.305 8.623 5.042 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.520 10.660 3.763 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.966 10.092 3.184 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.528 12.489 5.015 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.501 12.439 3.596 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.427 12.137 6.089 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.761 11.267 4.720 1.00 10.00 H new ATOM 746 N LYS A 50 10.455 9.068 7.362 1.00 10.00 N ATOM 747 CA LYS A 50 11.407 9.144 8.454 1.00 10.00 C ATOM 748 C LYS A 50 11.588 7.760 9.078 1.00 10.00 C ATOM 749 O LYS A 50 12.718 7.301 9.213 1.00 10.00 O ATOM 750 CB LYS A 50 10.930 10.216 9.444 1.00 10.00 C ATOM 751 CG LYS A 50 11.844 10.353 10.672 1.00 10.00 C ATOM 752 CD LYS A 50 11.165 9.639 11.842 1.00 10.00 C ATOM 753 CE LYS A 50 12.047 9.410 13.068 1.00 10.00 C ATOM 754 NZ LYS A 50 11.255 8.735 14.119 1.00 10.00 N ATOM 0 H LYS A 50 9.752 8.341 7.495 1.00 10.00 H new ATOM 0 HA LYS A 50 12.394 9.446 8.105 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.874 11.176 8.931 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.921 9.972 9.775 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.821 9.914 10.472 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.009 11.404 10.910 1.00 10.00 H new ATOM 0 HD2 LYS A 50 10.294 10.220 12.145 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.798 8.674 11.493 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.911 8.802 12.800 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.429 10.361 13.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.170 9.361 14.945 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 10.307 8.515 13.752 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.730 7.854 14.400 1.00 10.00 H new ATOM 768 N GLU A 51 10.486 7.106 9.465 1.00 10.00 N ATOM 769 CA GLU A 51 10.502 5.756 10.030 1.00 10.00 C ATOM 770 C GLU A 51 9.874 4.717 9.094 1.00 10.00 C ATOM 771 O GLU A 51 9.757 3.551 9.459 1.00 10.00 O ATOM 772 CB GLU A 51 9.920 5.756 11.446 1.00 10.00 C ATOM 773 CG GLU A 51 8.485 6.268 11.543 1.00 10.00 C ATOM 774 CD GLU A 51 8.289 7.140 12.775 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.747 8.306 12.721 1.00 10.00 O ATOM 776 OE2 GLU A 51 7.753 6.634 13.778 1.00 10.00 O ATOM 0 H GLU A 51 9.550 7.505 9.393 1.00 10.00 H new ATOM 0 HA GLU A 51 11.541 5.439 10.123 1.00 10.00 H new ATOM 0 HB2 GLU A 51 9.957 4.740 11.840 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.555 6.369 12.086 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.240 6.840 10.648 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.797 5.423 11.580 1.00 10.00 H new ATOM 783 N ALA A 52 9.535 5.123 7.867 1.00 10.00 N ATOM 784 CA ALA A 52 9.104 4.247 6.794 1.00 10.00 C ATOM 785 C ALA A 52 9.602 4.858 5.490 1.00 10.00 C ATOM 786 O ALA A 52 9.888 6.055 5.447 1.00 10.00 O ATOM 787 CB ALA A 52 7.578 4.148 6.790 1.00 10.00 C ATOM 0 H ALA A 52 9.557 6.105 7.593 1.00 10.00 H new ATOM 0 HA ALA A 52 9.504 3.241 6.921 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.258 3.489 5.983 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.237 3.745 7.744 1.00 10.00 H new ATOM 0 HB3 ALA A 52 7.149 5.139 6.641 1.00 10.00 H new ATOM 793 N SER A 53 9.701 4.050 4.433 1.00 10.00 N ATOM 794 CA SER A 53 9.998 4.509 3.097 1.00 10.00 C ATOM 795 C SER A 53 9.083 3.777 2.127 1.00 10.00 C ATOM 796 O SER A 53 8.645 2.658 2.396 1.00 10.00 O ATOM 797 CB SER A 53 11.461 4.231 2.773 1.00 10.00 C ATOM 798 OG SER A 53 11.797 2.881 3.024 1.00 10.00 O ATOM 0 H SER A 53 9.572 3.040 4.495 1.00 10.00 H new ATOM 0 HA SER A 53 9.831 5.583 3.015 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.655 4.467 1.727 1.00 10.00 H new ATOM 0 HB3 SER A 53 12.098 4.883 3.370 1.00 10.00 H new ATOM 0 HG SER A 53 12.741 2.733 2.805 1.00 10.00 H new ATOM 804 N VAL A 54 8.820 4.418 0.989 1.00 10.00 N ATOM 805 CA VAL A 54 7.963 3.876 -0.052 1.00 10.00 C ATOM 806 C VAL A 54 8.441 2.476 -0.456 1.00 10.00 C ATOM 807 O VAL A 54 7.642 1.553 -0.540 1.00 10.00 O ATOM 808 CB VAL A 54 7.836 4.887 -1.204 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.164 5.207 -1.904 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.801 4.440 -2.242 1.00 10.00 C ATOM 0 H VAL A 54 9.202 5.337 0.766 1.00 10.00 H new ATOM 0 HA VAL A 54 6.947 3.730 0.315 1.00 10.00 H new ATOM 0 HB VAL A 54 7.498 5.807 -0.727 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.990 5.927 -2.704 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.863 5.629 -1.182 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.583 4.293 -2.324 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.741 5.181 -3.039 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.098 3.479 -2.662 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.826 4.341 -1.765 1.00 10.00 H new ATOM 820 N SER A 55 9.749 2.297 -0.651 1.00 10.00 N ATOM 821 CA SER A 55 10.354 1.018 -0.989 1.00 10.00 C ATOM 822 C SER A 55 10.029 -0.089 0.021 1.00 10.00 C ATOM 823 O SER A 55 9.757 -1.221 -0.378 1.00 10.00 O ATOM 824 CB SER A 55 11.865 1.227 -1.090 1.00 10.00 C ATOM 825 OG SER A 55 12.115 2.398 -1.848 1.00 10.00 O ATOM 0 H SER A 55 10.426 3.056 -0.576 1.00 10.00 H new ATOM 0 HA SER A 55 9.939 0.680 -1.938 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.300 1.322 -0.095 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.334 0.364 -1.563 1.00 10.00 H new ATOM 0 HG SER A 55 13.082 2.542 -1.918 1.00 10.00 H new ATOM 831 N ASP A 56 10.071 0.222 1.319 1.00 10.00 N ATOM 832 CA ASP A 56 9.873 -0.777 2.358 1.00 10.00 C ATOM 833 C ASP A 56 8.447 -1.306 2.247 1.00 10.00 C ATOM 834 O ASP A 56 8.199 -2.494 2.026 1.00 10.00 O ATOM 835 CB ASP A 56 10.148 -0.132 3.723 1.00 10.00 C ATOM 836 CG ASP A 56 10.078 -1.145 4.856 1.00 10.00 C ATOM 837 OD1 ASP A 56 9.021 -1.799 4.970 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.080 -1.231 5.595 1.00 10.00 O ATOM 0 H ASP A 56 10.242 1.164 1.671 1.00 10.00 H new ATOM 0 HA ASP A 56 10.558 -1.617 2.245 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.134 0.333 3.712 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.423 0.662 3.901 1.00 10.00 H new ATOM 843 N LEU A 57 7.497 -0.373 2.298 1.00 10.00 N ATOM 844 CA LEU A 57 6.092 -0.712 2.197 1.00 10.00 C ATOM 845 C LEU A 57 5.780 -1.370 0.846 1.00 10.00 C ATOM 846 O LEU A 57 4.957 -2.284 0.786 1.00 10.00 O ATOM 847 CB LEU A 57 5.222 0.484 2.599 1.00 10.00 C ATOM 848 CG LEU A 57 5.335 1.748 1.740 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.519 1.653 0.449 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.832 2.956 2.538 1.00 10.00 C ATOM 0 H LEU A 57 7.683 0.624 2.409 1.00 10.00 H new ATOM 0 HA LEU A 57 5.830 -1.484 2.920 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.181 0.162 2.593 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.467 0.750 3.627 1.00 10.00 H new ATOM 0 HG LEU A 57 6.386 1.859 1.473 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.634 2.574 -0.123 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.874 0.811 -0.145 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.467 1.506 0.693 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.913 3.855 1.927 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.790 2.799 2.817 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.435 3.074 3.438 1.00 10.00 H new ATOM 862 N LYS A 58 6.476 -0.961 -0.224 1.00 10.00 N ATOM 863 CA LYS A 58 6.389 -1.603 -1.529 1.00 10.00 C ATOM 864 C LYS A 58 6.710 -3.087 -1.359 1.00 10.00 C ATOM 865 O LYS A 58 5.914 -3.939 -1.746 1.00 10.00 O ATOM 866 CB LYS A 58 7.335 -0.915 -2.534 1.00 10.00 C ATOM 867 CG LYS A 58 7.026 -1.122 -4.020 1.00 10.00 C ATOM 868 CD LYS A 58 7.067 -2.596 -4.447 1.00 10.00 C ATOM 869 CE LYS A 58 7.873 -2.868 -5.725 1.00 10.00 C ATOM 870 NZ LYS A 58 7.419 -2.069 -6.878 1.00 10.00 N ATOM 0 H LYS A 58 7.118 -0.169 -0.201 1.00 10.00 H new ATOM 0 HA LYS A 58 5.382 -1.507 -1.934 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.328 0.156 -2.331 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.349 -1.268 -2.344 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.039 -0.714 -4.239 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.744 -0.558 -4.616 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.491 -3.185 -3.633 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.046 -2.946 -4.596 1.00 10.00 H new ATOM 0 HE2 LYS A 58 8.925 -2.656 -5.536 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.801 -3.927 -5.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.868 -2.425 -7.746 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 6.386 -2.144 -6.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.682 -1.073 -6.735 1.00 10.00 H new ATOM 884 N GLU A 59 7.884 -3.396 -0.803 1.00 10.00 N ATOM 885 CA GLU A 59 8.306 -4.773 -0.602 1.00 10.00 C ATOM 886 C GLU A 59 7.270 -5.522 0.244 1.00 10.00 C ATOM 887 O GLU A 59 6.941 -6.670 -0.025 1.00 10.00 O ATOM 888 CB GLU A 59 9.700 -4.807 0.041 1.00 10.00 C ATOM 889 CG GLU A 59 10.350 -6.178 -0.172 1.00 10.00 C ATOM 890 CD GLU A 59 11.649 -6.316 0.608 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.636 -5.686 0.174 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.623 -7.050 1.621 1.00 10.00 O ATOM 0 H GLU A 59 8.559 -2.701 -0.484 1.00 10.00 H new ATOM 0 HA GLU A 59 8.373 -5.278 -1.566 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.327 -4.028 -0.393 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.621 -4.596 1.107 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.657 -6.961 0.136 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.546 -6.326 -1.234 1.00 10.00 H new ATOM 899 N ALA A 60 6.736 -4.858 1.267 1.00 10.00 N ATOM 900 CA ALA A 60 5.766 -5.416 2.192 1.00 10.00 C ATOM 901 C ALA A 60 4.486 -5.851 1.477 1.00 10.00 C ATOM 902 O ALA A 60 3.984 -6.942 1.748 1.00 10.00 O ATOM 903 CB ALA A 60 5.469 -4.418 3.312 1.00 10.00 C ATOM 0 H ALA A 60 6.977 -3.889 1.477 1.00 10.00 H new ATOM 0 HA ALA A 60 6.199 -6.313 2.636 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.740 -4.848 3.999 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.389 -4.193 3.852 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.066 -3.500 2.884 1.00 10.00 H new ATOM 909 N VAL A 61 3.940 -5.021 0.582 1.00 10.00 N ATOM 910 CA VAL A 61 2.796 -5.428 -0.214 1.00 10.00 C ATOM 911 C VAL A 61 3.195 -6.485 -1.241 1.00 10.00 C ATOM 912 O VAL A 61 2.486 -7.474 -1.398 1.00 10.00 O ATOM 913 CB VAL A 61 2.114 -4.225 -0.866 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.456 -3.325 0.187 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.977 -3.385 -1.801 1.00 10.00 C ATOM 0 H VAL A 61 4.273 -4.075 0.398 1.00 10.00 H new ATOM 0 HA VAL A 61 2.064 -5.883 0.454 1.00 10.00 H new ATOM 0 HB VAL A 61 1.361 -4.678 -1.511 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.979 -2.478 -0.305 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.706 -3.895 0.736 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.215 -2.962 0.880 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.385 -2.562 -2.202 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.828 -2.985 -1.249 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.336 -4.007 -2.621 1.00 10.00 H new ATOM 925 N ASP A 62 4.330 -6.296 -1.916 1.00 10.00 N ATOM 926 CA ASP A 62 4.877 -7.273 -2.858 1.00 10.00 C ATOM 927 C ASP A 62 4.906 -8.661 -2.208 1.00 10.00 C ATOM 928 O ASP A 62 4.460 -9.647 -2.794 1.00 10.00 O ATOM 929 CB ASP A 62 6.258 -6.825 -3.358 1.00 10.00 C ATOM 930 CG ASP A 62 6.684 -7.576 -4.614 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.028 -8.769 -4.490 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.684 -6.931 -5.688 1.00 10.00 O ATOM 0 H ASP A 62 4.899 -5.455 -1.824 1.00 10.00 H new ATOM 0 HA ASP A 62 4.233 -7.337 -3.735 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.239 -5.755 -3.565 1.00 10.00 H new ATOM 0 HB3 ASP A 62 6.997 -6.984 -2.573 1.00 10.00 H new ATOM 937 N LYS A 63 5.317 -8.710 -0.933 1.00 10.00 N ATOM 938 CA LYS A 63 5.361 -9.930 -0.128 1.00 10.00 C ATOM 939 C LYS A 63 4.031 -10.705 -0.095 1.00 10.00 C ATOM 940 O LYS A 63 4.034 -11.898 0.201 1.00 10.00 O ATOM 941 CB LYS A 63 5.840 -9.586 1.295 1.00 10.00 C ATOM 942 CG LYS A 63 6.576 -10.748 1.972 1.00 10.00 C ATOM 943 CD LYS A 63 7.256 -10.251 3.257 1.00 10.00 C ATOM 944 CE LYS A 63 8.201 -11.322 3.825 1.00 10.00 C ATOM 945 NZ LYS A 63 9.065 -10.790 4.900 1.00 10.00 N ATOM 0 H LYS A 63 5.634 -7.884 -0.426 1.00 10.00 H new ATOM 0 HA LYS A 63 6.070 -10.604 -0.608 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.500 -8.720 1.252 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.981 -9.302 1.904 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.874 -11.548 2.206 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.320 -11.165 1.293 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.816 -9.340 3.048 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.499 -9.997 3.999 1.00 10.00 H new ATOM 0 HE2 LYS A 63 7.613 -12.155 4.212 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.824 -11.717 3.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 9.685 -11.546 5.253 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.646 -10.012 4.526 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.473 -10.436 5.678 1.00 10.00 H new ATOM 959 N LEU A 64 2.896 -10.047 -0.355 1.00 10.00 N ATOM 960 CA LEU A 64 1.578 -10.673 -0.388 1.00 10.00 C ATOM 961 C LEU A 64 1.323 -11.397 -1.717 1.00 10.00 C ATOM 962 O LEU A 64 0.499 -12.307 -1.747 1.00 10.00 O ATOM 963 CB LEU A 64 0.494 -9.616 -0.128 1.00 10.00 C ATOM 964 CG LEU A 64 0.610 -8.979 1.268 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.054 -7.599 1.287 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.048 -9.880 2.323 1.00 10.00 C ATOM 0 H LEU A 64 2.872 -9.046 -0.551 1.00 10.00 H new ATOM 0 HA LEU A 64 1.541 -11.426 0.399 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.564 -8.836 -0.886 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.489 -10.076 -0.233 1.00 10.00 H new ATOM 0 HG LEU A 64 1.669 -8.866 1.503 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.038 -7.165 2.282 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.435 -6.950 0.561 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.109 -7.699 1.031 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.042 -9.416 3.305 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.102 -10.014 2.080 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.448 -10.850 2.333 1.00 10.00 H new ATOM 978 N GLY A 65 2.004 -11.013 -2.807 1.00 10.00 N ATOM 979 CA GLY A 65 1.949 -11.719 -4.085 1.00 10.00 C ATOM 980 C GLY A 65 1.752 -10.762 -5.260 1.00 10.00 C ATOM 981 O GLY A 65 2.511 -10.791 -6.227 1.00 10.00 O ATOM 0 H GLY A 65 2.613 -10.195 -2.821 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.871 -12.283 -4.227 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.133 -12.441 -4.065 1.00 10.00 H new ATOM 985 N TYR A 66 0.707 -9.934 -5.189 1.00 10.00 N ATOM 986 CA TYR A 66 0.460 -8.879 -6.169 1.00 10.00 C ATOM 987 C TYR A 66 1.571 -7.833 -6.114 1.00 10.00 C ATOM 988 O TYR A 66 2.393 -7.853 -5.202 1.00 10.00 O ATOM 989 CB TYR A 66 -0.913 -8.241 -5.927 1.00 10.00 C ATOM 990 CG TYR A 66 -1.281 -8.038 -4.477 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.531 -7.150 -3.688 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.303 -8.807 -3.890 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.837 -7.000 -2.331 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.637 -8.610 -2.541 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.955 -7.647 -1.785 1.00 10.00 C ATOM 996 OH TYR A 66 -2.411 -7.294 -0.555 1.00 10.00 O ATOM 0 H TYR A 66 0.008 -9.978 -4.448 1.00 10.00 H new ATOM 0 HA TYR A 66 0.459 -9.317 -7.167 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.941 -7.275 -6.431 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.674 -8.866 -6.394 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.278 -6.586 -4.127 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.829 -9.547 -4.476 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.211 -6.384 -1.702 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.419 -9.200 -2.086 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.388 -7.370 -0.534 1.00 10.00 H new ATOM 1006 N LYS A 67 1.588 -6.908 -7.075 1.00 10.00 N ATOM 1007 CA LYS A 67 2.618 -5.878 -7.161 1.00 10.00 C ATOM 1008 C LYS A 67 2.017 -4.483 -7.046 1.00 10.00 C ATOM 1009 O LYS A 67 0.812 -4.298 -7.187 1.00 10.00 O ATOM 1010 CB LYS A 67 3.449 -6.096 -8.434 1.00 10.00 C ATOM 1011 CG LYS A 67 4.601 -7.036 -8.070 1.00 10.00 C ATOM 1012 CD LYS A 67 5.153 -7.839 -9.247 1.00 10.00 C ATOM 1013 CE LYS A 67 6.378 -8.615 -8.734 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.780 -9.700 -9.650 1.00 10.00 N ATOM 0 H LYS A 67 0.887 -6.854 -7.814 1.00 10.00 H new ATOM 0 HA LYS A 67 3.300 -5.961 -6.315 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.835 -6.528 -9.224 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.831 -5.147 -8.810 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.410 -6.449 -7.635 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.260 -7.729 -7.301 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.398 -8.524 -9.633 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.432 -7.177 -10.067 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.212 -7.926 -8.603 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.154 -9.035 -7.753 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 7.609 -10.193 -9.261 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 5.995 -10.373 -9.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 7.020 -9.299 -10.579 1.00 10.00 H new ATOM 1028 N LEU A 68 2.878 -3.509 -6.741 1.00 10.00 N ATOM 1029 CA LEU A 68 2.539 -2.131 -6.464 1.00 10.00 C ATOM 1030 C LEU A 68 3.666 -1.296 -7.050 1.00 10.00 C ATOM 1031 O LEU A 68 4.800 -1.774 -7.158 1.00 10.00 O ATOM 1032 CB LEU A 68 2.420 -1.938 -4.949 1.00 10.00 C ATOM 1033 CG LEU A 68 2.018 -0.522 -4.493 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.030 -0.554 -3.317 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.264 0.259 -4.044 1.00 10.00 C ATOM 0 H LEU A 68 3.882 -3.681 -6.680 1.00 10.00 H new ATOM 0 HA LEU A 68 1.585 -1.836 -6.901 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.686 -2.647 -4.566 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.376 -2.191 -4.491 1.00 10.00 H new ATOM 0 HG LEU A 68 1.539 -0.039 -5.345 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.774 0.466 -3.029 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.126 -1.084 -3.616 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.488 -1.066 -2.471 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.971 1.259 -3.723 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.741 -0.263 -3.214 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.965 0.336 -4.875 1.00 10.00 H new ATOM 1047 N LYS A 69 3.363 -0.061 -7.426 1.00 10.00 N ATOM 1048 CA LYS A 69 4.287 0.876 -8.025 1.00 10.00 C ATOM 1049 C LYS A 69 3.849 2.287 -7.645 1.00 10.00 C ATOM 1050 O LYS A 69 2.701 2.482 -7.252 1.00 10.00 O ATOM 1051 CB LYS A 69 4.324 0.663 -9.545 1.00 10.00 C ATOM 1052 CG LYS A 69 3.023 1.066 -10.259 1.00 10.00 C ATOM 1053 CD LYS A 69 3.090 0.784 -11.767 1.00 10.00 C ATOM 1054 CE LYS A 69 2.627 -0.637 -12.132 1.00 10.00 C ATOM 1055 NZ LYS A 69 1.220 -0.674 -12.579 1.00 10.00 N ATOM 0 H LYS A 69 2.426 0.326 -7.315 1.00 10.00 H new ATOM 0 HA LYS A 69 5.301 0.721 -7.658 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.150 1.238 -9.963 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.530 -0.387 -9.751 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.186 0.521 -9.824 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.832 2.127 -10.096 1.00 10.00 H new ATOM 0 HD2 LYS A 69 2.471 1.509 -12.295 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.114 0.927 -12.113 1.00 10.00 H new ATOM 0 HE2 LYS A 69 3.266 -1.033 -12.921 1.00 10.00 H new ATOM 0 HE3 LYS A 69 2.748 -1.289 -11.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 0.930 -1.661 -12.732 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 0.613 -0.244 -11.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 1.124 -0.143 -13.468 1.00 10.00 H new ATOM 1069 N LEU A 70 4.753 3.259 -7.760 1.00 10.00 N ATOM 1070 CA LEU A 70 4.439 4.655 -7.483 1.00 10.00 C ATOM 1071 C LEU A 70 3.347 5.155 -8.419 1.00 10.00 C ATOM 1072 O LEU A 70 3.247 4.709 -9.561 1.00 10.00 O ATOM 1073 CB LEU A 70 5.715 5.515 -7.527 1.00 10.00 C ATOM 1074 CG LEU A 70 5.542 7.044 -7.659 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.803 7.734 -7.124 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.352 7.504 -9.113 1.00 10.00 C ATOM 0 H LEU A 70 5.719 3.099 -8.047 1.00 10.00 H new ATOM 0 HA LEU A 70 4.042 4.741 -6.472 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.284 5.318 -6.618 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.323 5.172 -8.364 1.00 10.00 H new ATOM 0 HG LEU A 70 4.648 7.310 -7.095 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.692 8.815 -7.212 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.946 7.468 -6.077 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.668 7.410 -7.702 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.236 8.587 -9.140 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.223 7.218 -9.702 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.462 7.033 -9.530 1.00 10.00 H new ATOM 1088 N LYS A 71 2.552 6.099 -7.913 1.00 10.00 N ATOM 1089 CA LYS A 71 1.565 6.840 -8.679 1.00 10.00 C ATOM 1090 C LYS A 71 1.773 8.346 -8.548 1.00 10.00 C ATOM 1091 O LYS A 71 1.835 9.038 -9.562 1.00 10.00 O ATOM 1092 CB LYS A 71 0.149 6.368 -8.337 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.903 6.736 -9.385 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.638 6.056 -10.740 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.970 5.670 -11.407 1.00 10.00 C ATOM 1096 NZ LYS A 71 -1.785 4.727 -12.528 1.00 10.00 N ATOM 0 H LYS A 71 2.583 6.372 -6.931 1.00 10.00 H new ATOM 0 HA LYS A 71 1.703 6.626 -9.739 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.159 5.285 -8.213 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.143 6.796 -7.378 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.890 6.448 -9.023 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.916 7.818 -9.520 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.078 6.729 -11.390 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.024 5.167 -10.596 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.629 5.222 -10.664 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.465 6.570 -11.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.605 4.780 -13.166 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.922 4.976 -13.052 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.698 3.759 -12.157 1.00 10.00 H new