USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 50 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -0.082 X(o=-0.71,f=-0.72) USER MOD Set 1.3: A 78 HIS : no HD1:sc= -0.626 K(o=-0.71,f=-2.4!) USER MOD Set 2.1: A 58 SER OG : rot 161:sc= 0.578 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.56 K(o=1.1,f=0.24) USER MOD Single : A 1 LEU N :NH3+ 179:sc= -1.18 (180deg=-1.24) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 78:sc= 0.176 USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -1.89 (180deg=-5.32!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0446) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.0103 (180deg=-0.462) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 44 SER OG : rot 180:sc= -1.15 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00525 X(o=-0.0053,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.295 K(o=-0.29,f=-4.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 132:sc= 0.834 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc=-0.000354 (180deg=-0.613) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -120:sc= -1.32 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.08) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.106 20.542 -6.533 1.00 0.00 N ATOM 2 CA LEU A 1 -8.350 20.063 -5.147 1.00 0.00 C ATOM 3 C LEU A 1 -9.467 19.027 -5.110 1.00 0.00 C ATOM 4 O LEU A 1 -10.565 19.297 -4.621 1.00 0.00 O ATOM 5 CB LEU A 1 -8.714 21.266 -4.273 1.00 0.00 C ATOM 6 CG LEU A 1 -9.749 22.216 -4.880 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.658 22.778 -3.798 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.059 23.340 -5.638 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.352 21.259 -6.525 1.00 0.00 H new ATOM 0 H2 LEU A 1 -7.817 19.742 -7.131 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.978 20.961 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 1 -7.447 19.584 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.093 20.901 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.806 21.830 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.363 21.653 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.387 23.451 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.179 21.960 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.061 23.326 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.809 24.006 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.421 23.901 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.452 22.919 -6.439 1.00 0.00 H new ATOM 22 N PHE A 2 -9.181 17.837 -5.629 1.00 0.00 N ATOM 23 CA PHE A 2 -10.161 16.758 -5.657 1.00 0.00 C ATOM 24 C PHE A 2 -9.671 15.561 -4.850 1.00 0.00 C ATOM 25 O PHE A 2 -8.593 15.600 -4.256 1.00 0.00 O ATOM 26 CB PHE A 2 -10.445 16.334 -7.098 1.00 0.00 C ATOM 27 CG PHE A 2 -11.249 17.339 -7.875 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.546 17.646 -7.499 1.00 0.00 C ATOM 29 CD2 PHE A 2 -10.706 17.973 -8.980 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.288 18.568 -8.211 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.444 18.897 -9.697 1.00 0.00 C ATOM 32 CZ PHE A 2 -12.737 19.195 -9.311 1.00 0.00 C ATOM 0 H PHE A 2 -8.277 17.596 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.083 17.126 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.498 16.164 -7.611 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.978 15.383 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.982 17.159 -6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.696 17.743 -9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.299 18.798 -7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.010 19.385 -10.557 1.00 0.00 H new ATOM 0 HZ PHE A 2 -13.315 19.917 -9.869 1.00 0.00 H new ATOM 42 N ILE A 3 -10.467 14.498 -4.832 1.00 0.00 N ATOM 43 CA ILE A 3 -10.112 13.290 -4.097 1.00 0.00 C ATOM 44 C ILE A 3 -8.793 12.710 -4.604 1.00 0.00 C ATOM 45 O ILE A 3 -8.724 12.164 -5.705 1.00 0.00 O ATOM 46 CB ILE A 3 -11.219 12.220 -4.205 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.882 11.008 -3.333 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.418 11.799 -5.654 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.358 11.142 -1.903 1.00 0.00 C ATOM 0 H ILE A 3 -11.362 14.448 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.000 13.572 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.152 12.654 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.329 10.117 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.802 10.857 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.202 11.044 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.706 12.666 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.488 11.385 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.085 10.247 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.891 12.014 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.441 11.262 -1.890 1.00 0.00 H new ATOM 61 N ALA A 4 -7.748 12.833 -3.791 1.00 0.00 N ATOM 62 CA ALA A 4 -6.431 12.322 -4.156 1.00 0.00 C ATOM 63 C ALA A 4 -6.484 10.825 -4.449 1.00 0.00 C ATOM 64 O ALA A 4 -6.826 10.025 -3.579 1.00 0.00 O ATOM 65 CB ALA A 4 -5.429 12.610 -3.049 1.00 0.00 C ATOM 0 H ALA A 4 -7.788 13.282 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.109 12.832 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.451 12.223 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.362 13.686 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.755 12.127 -2.128 1.00 0.00 H new ATOM 71 N THR A 5 -6.143 10.456 -5.680 1.00 0.00 N ATOM 72 CA THR A 5 -6.153 9.056 -6.088 1.00 0.00 C ATOM 73 C THR A 5 -4.834 8.674 -6.753 1.00 0.00 C ATOM 74 O THR A 5 -4.748 8.589 -7.979 1.00 0.00 O ATOM 75 CB THR A 5 -7.315 8.790 -7.044 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.492 9.880 -7.933 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.633 8.560 -6.336 1.00 0.00 C ATOM 0 H THR A 5 -5.857 11.107 -6.411 1.00 0.00 H new ATOM 0 HA THR A 5 -6.280 8.444 -5.195 1.00 0.00 H new ATOM 0 HB THR A 5 -7.045 7.880 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.239 9.691 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.415 8.377 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.546 7.696 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.888 9.441 -5.747 1.00 0.00 H new ATOM 85 N LEU A 6 -3.810 8.443 -5.939 1.00 0.00 N ATOM 86 CA LEU A 6 -2.498 8.068 -6.451 1.00 0.00 C ATOM 87 C LEU A 6 -2.489 6.615 -6.913 1.00 0.00 C ATOM 88 O LEU A 6 -2.799 5.706 -6.143 1.00 0.00 O ATOM 89 CB LEU A 6 -1.429 8.280 -5.377 1.00 0.00 C ATOM 90 CG LEU A 6 -0.809 9.678 -5.347 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.737 10.657 -4.646 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.550 9.643 -4.664 1.00 0.00 C ATOM 0 H LEU A 6 -3.863 8.509 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.275 8.704 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.870 8.074 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.634 7.550 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.668 10.016 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.280 11.646 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.687 10.703 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.910 10.325 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.977 10.646 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.434 9.285 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.214 8.973 -5.210 1.00 0.00 H new ATOM 104 N LYS A 7 -2.133 6.403 -8.176 1.00 0.00 N ATOM 105 CA LYS A 7 -2.086 5.060 -8.742 1.00 0.00 C ATOM 106 C LYS A 7 -0.747 4.805 -9.428 1.00 0.00 C ATOM 107 O LYS A 7 -0.652 4.832 -10.656 1.00 0.00 O ATOM 108 CB LYS A 7 -3.231 4.862 -9.737 1.00 0.00 C ATOM 109 CG LYS A 7 -4.498 4.311 -9.101 1.00 0.00 C ATOM 110 CD LYS A 7 -5.705 5.186 -9.405 1.00 0.00 C ATOM 111 CE LYS A 7 -6.564 4.588 -10.508 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.978 4.819 -11.856 1.00 0.00 N ATOM 0 H LYS A 7 -1.873 7.144 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.197 4.345 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.458 5.816 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.904 4.183 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.679 3.300 -9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.362 4.240 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.304 5.308 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.370 6.180 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.676 3.517 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.562 5.024 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.594 4.396 -12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.894 5.841 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.036 4.381 -11.905 1.00 0.00 H new ATOM 126 N GLY A 8 0.283 4.558 -8.627 1.00 0.00 N ATOM 127 CA GLY A 8 1.602 4.301 -9.173 1.00 0.00 C ATOM 128 C GLY A 8 1.771 2.862 -9.621 1.00 0.00 C ATOM 129 O GLY A 8 0.975 1.995 -9.258 1.00 0.00 O ATOM 0 H GLY A 8 0.228 4.531 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.778 4.965 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.356 4.536 -8.421 1.00 0.00 H new ATOM 133 N ILE A 9 2.808 2.607 -10.412 1.00 0.00 N ATOM 134 CA ILE A 9 3.074 1.264 -10.909 1.00 0.00 C ATOM 135 C ILE A 9 4.567 0.951 -10.890 1.00 0.00 C ATOM 136 O ILE A 9 5.317 1.398 -11.758 1.00 0.00 O ATOM 137 CB ILE A 9 2.544 1.082 -12.344 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.096 1.566 -12.440 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.651 -0.375 -12.770 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.131 0.760 -11.596 1.00 0.00 C ATOM 0 H ILE A 9 3.477 3.312 -10.722 1.00 0.00 H new ATOM 0 HA ILE A 9 2.554 0.575 -10.244 1.00 0.00 H new ATOM 0 HB ILE A 9 3.154 1.682 -13.019 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.050 2.611 -12.133 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.776 1.526 -13.481 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.272 -0.486 -13.786 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.694 -0.688 -12.735 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.063 -0.996 -12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.876 1.160 -11.713 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.148 -0.281 -11.918 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.426 0.821 -10.548 1.00 0.00 H new ATOM 152 N PHE A 10 4.990 0.175 -9.897 1.00 0.00 N ATOM 153 CA PHE A 10 6.391 -0.206 -9.766 1.00 0.00 C ATOM 154 C PHE A 10 6.788 -1.176 -10.873 1.00 0.00 C ATOM 155 O PHE A 10 6.211 -2.256 -10.998 1.00 0.00 O ATOM 156 CB PHE A 10 6.641 -0.844 -8.399 1.00 0.00 C ATOM 157 CG PHE A 10 7.947 -0.442 -7.778 1.00 0.00 C ATOM 158 CD1 PHE A 10 9.136 -1.008 -8.209 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.986 0.500 -6.765 1.00 0.00 C ATOM 160 CE1 PHE A 10 10.341 -0.638 -7.640 1.00 0.00 C ATOM 161 CE2 PHE A 10 9.187 0.873 -6.191 1.00 0.00 C ATOM 162 CZ PHE A 10 10.365 0.303 -6.630 1.00 0.00 C ATOM 0 H PHE A 10 4.381 -0.202 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 10 7.001 0.693 -9.854 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.829 -0.570 -7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.617 -1.929 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.122 -1.746 -8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.067 0.949 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.262 -1.084 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.204 1.609 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.305 0.593 -6.184 1.00 0.00 H new ATOM 172 N THR A 11 7.772 -0.787 -11.677 1.00 0.00 N ATOM 173 CA THR A 11 8.232 -1.632 -12.773 1.00 0.00 C ATOM 174 C THR A 11 9.747 -1.764 -12.778 1.00 0.00 C ATOM 175 O THR A 11 10.473 -0.793 -13.014 1.00 0.00 O ATOM 176 CB THR A 11 7.751 -1.075 -14.113 1.00 0.00 C ATOM 177 OG1 THR A 11 8.187 -1.895 -15.183 1.00 0.00 O ATOM 178 CG2 THR A 11 8.238 0.332 -14.386 1.00 0.00 C ATOM 0 H THR A 11 8.264 0.103 -11.591 1.00 0.00 H new ATOM 0 HA THR A 11 7.808 -2.625 -12.624 1.00 0.00 H new ATOM 0 HB THR A 11 6.663 -1.059 -14.045 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.619 -2.692 -15.237 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.861 0.667 -15.352 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.877 1.000 -13.604 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.328 0.344 -14.398 1.00 0.00 H new ATOM 186 N LEU A 12 10.211 -2.982 -12.523 1.00 0.00 N ATOM 187 CA LEU A 12 11.634 -3.274 -12.499 1.00 0.00 C ATOM 188 C LEU A 12 12.364 -2.382 -11.505 1.00 0.00 C ATOM 189 O LEU A 12 12.046 -1.203 -11.354 1.00 0.00 O ATOM 190 CB LEU A 12 12.233 -3.096 -13.896 1.00 0.00 C ATOM 191 CG LEU A 12 13.324 -4.102 -14.265 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.274 -4.422 -15.751 1.00 0.00 C ATOM 193 CD2 LEU A 12 14.694 -3.567 -13.878 1.00 0.00 C ATOM 0 H LEU A 12 9.615 -3.787 -12.329 1.00 0.00 H new ATOM 0 HA LEU A 12 11.758 -4.310 -12.182 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.431 -3.167 -14.631 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.646 -2.090 -13.972 1.00 0.00 H new ATOM 0 HG LEU A 12 13.146 -5.023 -13.710 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.057 -5.139 -15.995 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.302 -4.848 -15.999 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.427 -3.508 -16.325 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.459 -4.296 -14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.882 -2.632 -14.406 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.725 -3.390 -12.803 1.00 0.00 H new ATOM 205 N LYS A 13 13.353 -2.952 -10.834 1.00 0.00 N ATOM 206 CA LYS A 13 14.145 -2.206 -9.860 1.00 0.00 C ATOM 207 C LYS A 13 14.604 -0.874 -10.452 1.00 0.00 C ATOM 208 O LYS A 13 14.839 0.093 -9.727 1.00 0.00 O ATOM 209 CB LYS A 13 15.355 -3.030 -9.415 1.00 0.00 C ATOM 210 CG LYS A 13 15.223 -3.595 -8.011 1.00 0.00 C ATOM 211 CD LYS A 13 13.995 -4.482 -7.880 1.00 0.00 C ATOM 212 CE LYS A 13 14.197 -5.822 -8.570 1.00 0.00 C ATOM 213 NZ LYS A 13 13.391 -5.933 -9.817 1.00 0.00 N ATOM 0 H LYS A 13 13.629 -3.928 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 13 13.520 -2.004 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.502 -3.852 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.247 -2.406 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.116 -4.169 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.161 -2.777 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.774 -4.645 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.132 -3.976 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.253 -5.952 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.922 -6.626 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.081 -6.918 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.558 -5.313 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.970 -5.646 -10.632 1.00 0.00 H new ATOM 227 N ASP A 14 14.723 -0.833 -11.779 1.00 0.00 N ATOM 228 CA ASP A 14 15.145 0.374 -12.478 1.00 0.00 C ATOM 229 C ASP A 14 14.271 1.565 -12.100 1.00 0.00 C ATOM 230 O ASP A 14 14.775 2.665 -11.884 1.00 0.00 O ATOM 231 CB ASP A 14 15.096 0.152 -13.992 1.00 0.00 C ATOM 232 CG ASP A 14 15.619 1.345 -14.768 1.00 0.00 C ATOM 233 OD1 ASP A 14 16.768 1.762 -14.513 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.879 1.862 -15.631 1.00 0.00 O ATOM 0 H ASP A 14 14.532 -1.627 -12.391 1.00 0.00 H new ATOM 0 HA ASP A 14 16.170 0.594 -12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.684 -0.730 -14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.069 -0.052 -14.294 1.00 0.00 H new ATOM 239 N LEU A 15 12.959 1.342 -12.022 1.00 0.00 N ATOM 240 CA LEU A 15 12.027 2.408 -11.667 1.00 0.00 C ATOM 241 C LEU A 15 11.625 2.312 -10.194 1.00 0.00 C ATOM 242 O LEU A 15 10.810 1.469 -9.823 1.00 0.00 O ATOM 243 CB LEU A 15 10.782 2.342 -12.557 1.00 0.00 C ATOM 244 CG LEU A 15 10.599 3.533 -13.497 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.285 4.793 -12.705 1.00 0.00 C ATOM 246 CD2 LEU A 15 11.843 3.733 -14.349 1.00 0.00 C ATOM 0 H LEU A 15 12.521 0.438 -12.199 1.00 0.00 H new ATOM 0 HA LEU A 15 12.527 3.364 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.827 1.431 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.901 2.262 -11.920 1.00 0.00 H new ATOM 0 HG LEU A 15 9.758 3.325 -14.159 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.158 5.631 -13.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.366 4.646 -12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.105 5.006 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.696 4.585 -15.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.700 3.920 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.025 2.837 -14.943 1.00 0.00 H new ATOM 258 N PRO A 16 12.196 3.175 -9.330 1.00 0.00 N ATOM 259 CA PRO A 16 11.898 3.178 -7.904 1.00 0.00 C ATOM 260 C PRO A 16 10.759 4.120 -7.545 1.00 0.00 C ATOM 261 O PRO A 16 10.798 4.795 -6.514 1.00 0.00 O ATOM 262 CB PRO A 16 13.207 3.666 -7.305 1.00 0.00 C ATOM 263 CG PRO A 16 13.758 4.615 -8.323 1.00 0.00 C ATOM 264 CD PRO A 16 13.186 4.213 -9.665 1.00 0.00 C ATOM 0 HA PRO A 16 11.569 2.204 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.044 4.162 -6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.892 2.838 -7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.484 5.642 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.847 4.571 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.722 5.059 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.959 3.828 -10.330 1.00 0.00 H new ATOM 272 N GLU A 17 9.753 4.142 -8.411 1.00 0.00 N ATOM 273 CA GLU A 17 8.558 4.981 -8.244 1.00 0.00 C ATOM 274 C GLU A 17 8.846 6.267 -7.473 1.00 0.00 C ATOM 275 O GLU A 17 8.017 6.729 -6.691 1.00 0.00 O ATOM 276 CB GLU A 17 7.461 4.193 -7.538 1.00 0.00 C ATOM 277 CG GLU A 17 7.782 3.850 -6.092 1.00 0.00 C ATOM 278 CD GLU A 17 6.978 4.673 -5.105 1.00 0.00 C ATOM 279 OE1 GLU A 17 5.819 5.013 -5.421 1.00 0.00 O ATOM 280 OE2 GLU A 17 7.508 4.978 -4.015 1.00 0.00 O ATOM 0 H GLU A 17 9.737 3.575 -9.259 1.00 0.00 H new ATOM 0 HA GLU A 17 8.229 5.268 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.536 4.770 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.279 3.270 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.586 2.791 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.845 4.010 -5.912 1.00 0.00 H new ATOM 287 N GLU A 18 10.024 6.832 -7.703 1.00 0.00 N ATOM 288 CA GLU A 18 10.443 8.066 -7.036 1.00 0.00 C ATOM 289 C GLU A 18 11.928 8.312 -7.248 1.00 0.00 C ATOM 290 O GLU A 18 12.327 9.227 -7.966 1.00 0.00 O ATOM 291 CB GLU A 18 10.141 8.004 -5.531 1.00 0.00 C ATOM 292 CG GLU A 18 10.619 9.223 -4.755 1.00 0.00 C ATOM 293 CD GLU A 18 9.545 10.283 -4.616 1.00 0.00 C ATOM 294 OE1 GLU A 18 8.351 9.917 -4.566 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.896 11.480 -4.556 1.00 0.00 O ATOM 0 H GLU A 18 10.714 6.454 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 18 9.879 8.889 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.066 7.895 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.609 7.113 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.948 8.912 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.485 9.653 -5.258 1.00 0.00 H new ATOM 302 N PHE A 19 12.733 7.484 -6.609 1.00 0.00 N ATOM 303 CA PHE A 19 14.185 7.593 -6.704 1.00 0.00 C ATOM 304 C PHE A 19 14.866 6.371 -6.090 1.00 0.00 C ATOM 305 O PHE A 19 15.700 5.730 -6.728 1.00 0.00 O ATOM 306 CB PHE A 19 14.667 8.872 -6.010 1.00 0.00 C ATOM 307 CG PHE A 19 16.152 8.918 -5.779 1.00 0.00 C ATOM 308 CD1 PHE A 19 17.037 8.694 -6.821 1.00 0.00 C ATOM 309 CD2 PHE A 19 16.660 9.181 -4.517 1.00 0.00 C ATOM 310 CE1 PHE A 19 18.402 8.731 -6.609 1.00 0.00 C ATOM 311 CE2 PHE A 19 18.024 9.220 -4.298 1.00 0.00 C ATOM 312 CZ PHE A 19 18.896 8.995 -5.346 1.00 0.00 C ATOM 0 H PHE A 19 12.408 6.722 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 19 14.454 7.639 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.376 9.732 -6.613 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.157 8.968 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.656 8.488 -7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.982 9.358 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 19 19.082 8.554 -7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 19 18.408 9.426 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 19 19.962 9.025 -5.178 1.00 0.00 H new ATOM 322 N ARG A 20 14.512 6.059 -4.848 1.00 0.00 N ATOM 323 CA ARG A 20 15.095 4.916 -4.154 1.00 0.00 C ATOM 324 C ARG A 20 14.093 3.765 -4.064 1.00 0.00 C ATOM 325 O ARG A 20 12.926 3.975 -3.733 1.00 0.00 O ATOM 326 CB ARG A 20 15.552 5.323 -2.751 1.00 0.00 C ATOM 327 CG ARG A 20 16.480 4.312 -2.096 1.00 0.00 C ATOM 328 CD ARG A 20 17.913 4.469 -2.583 1.00 0.00 C ATOM 329 NE ARG A 20 18.882 4.000 -1.594 1.00 0.00 N ATOM 330 CZ ARG A 20 19.115 2.715 -1.334 1.00 0.00 C ATOM 331 NH1 ARG A 20 18.452 1.768 -1.986 1.00 0.00 N ATOM 332 NH2 ARG A 20 20.014 2.375 -0.420 1.00 0.00 N ATOM 0 H ARG A 20 13.826 6.580 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 20 15.959 4.577 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.060 6.286 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.675 5.462 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.447 4.435 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.130 3.303 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.044 3.912 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.106 5.517 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 20 19.411 4.699 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.760 2.023 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.635 0.785 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.527 3.098 0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.192 1.391 -0.221 1.00 0.00 H new ATOM 346 N PRO A 21 14.534 2.528 -4.360 1.00 0.00 N ATOM 347 CA PRO A 21 13.665 1.348 -4.312 1.00 0.00 C ATOM 348 C PRO A 21 13.100 1.098 -2.917 1.00 0.00 C ATOM 349 O PRO A 21 13.805 0.625 -2.027 1.00 0.00 O ATOM 350 CB PRO A 21 14.587 0.194 -4.727 1.00 0.00 C ATOM 351 CG PRO A 21 15.972 0.704 -4.522 1.00 0.00 C ATOM 352 CD PRO A 21 15.907 2.183 -4.767 1.00 0.00 C ATOM 0 HA PRO A 21 12.795 1.466 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.402 -0.694 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.421 -0.087 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.321 0.491 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.670 0.225 -5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.650 2.722 -4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.091 2.427 -5.813 1.00 0.00 H new ATOM 360 N PHE A 22 11.821 1.414 -2.738 1.00 0.00 N ATOM 361 CA PHE A 22 11.157 1.218 -1.454 1.00 0.00 C ATOM 362 C PHE A 22 10.462 -0.141 -1.402 1.00 0.00 C ATOM 363 O PHE A 22 10.196 -0.670 -0.323 1.00 0.00 O ATOM 364 CB PHE A 22 10.142 2.336 -1.206 1.00 0.00 C ATOM 365 CG PHE A 22 10.737 3.554 -0.557 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.992 3.575 0.805 1.00 0.00 C ATOM 367 CD2 PHE A 22 11.040 4.678 -1.310 1.00 0.00 C ATOM 368 CE1 PHE A 22 11.539 4.694 1.403 1.00 0.00 C ATOM 369 CE2 PHE A 22 11.587 5.799 -0.716 1.00 0.00 C ATOM 370 CZ PHE A 22 11.837 5.808 0.642 1.00 0.00 C ATOM 0 H PHE A 22 11.224 1.807 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 22 11.915 1.246 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.691 2.624 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.339 1.954 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.761 2.708 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.846 4.677 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.734 4.698 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.819 6.668 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 22 12.264 6.684 1.108 1.00 0.00 H new ATOM 380 N VAL A 23 10.169 -0.700 -2.574 1.00 0.00 N ATOM 381 CA VAL A 23 9.507 -1.999 -2.666 1.00 0.00 C ATOM 382 C VAL A 23 10.506 -3.114 -2.963 1.00 0.00 C ATOM 383 O VAL A 23 10.116 -4.246 -3.252 1.00 0.00 O ATOM 384 CB VAL A 23 8.415 -1.983 -3.756 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.623 -3.281 -3.751 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.490 -0.790 -3.570 1.00 0.00 C ATOM 0 H VAL A 23 10.380 -0.272 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 23 9.045 -2.194 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 23 8.906 -1.890 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.860 -3.244 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.295 -4.118 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.146 -3.412 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.727 -0.796 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.012 -0.849 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.068 0.132 -3.636 1.00 0.00 H new ATOM 396 N ASP A 24 11.794 -2.795 -2.879 1.00 0.00 N ATOM 397 CA ASP A 24 12.839 -3.779 -3.125 1.00 0.00 C ATOM 398 C ASP A 24 13.117 -4.591 -1.863 1.00 0.00 C ATOM 399 O ASP A 24 13.637 -5.704 -1.930 1.00 0.00 O ATOM 400 CB ASP A 24 14.120 -3.090 -3.601 1.00 0.00 C ATOM 401 CG ASP A 24 15.229 -4.078 -3.909 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.952 -4.472 -2.970 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.376 -4.455 -5.090 1.00 0.00 O ATOM 0 H ASP A 24 12.137 -1.864 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 24 12.495 -4.457 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.903 -2.502 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.460 -2.393 -2.835 1.00 0.00 H new ATOM 408 N TYR A 25 12.763 -4.024 -0.711 1.00 0.00 N ATOM 409 CA TYR A 25 12.974 -4.693 0.565 1.00 0.00 C ATOM 410 C TYR A 25 12.034 -5.884 0.717 1.00 0.00 C ATOM 411 O TYR A 25 12.417 -6.918 1.265 1.00 0.00 O ATOM 412 CB TYR A 25 12.787 -3.708 1.727 1.00 0.00 C ATOM 413 CG TYR A 25 11.343 -3.478 2.127 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.428 -2.942 1.229 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.897 -3.798 3.403 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.111 -2.730 1.592 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.582 -3.590 3.773 1.00 0.00 C ATOM 418 CZ TYR A 25 8.693 -3.056 2.864 1.00 0.00 C ATOM 419 OH TYR A 25 7.383 -2.846 3.229 1.00 0.00 O ATOM 0 H TYR A 25 12.329 -3.104 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 25 13.999 -5.064 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.337 -4.078 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.232 -2.752 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.751 -2.687 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.590 -4.216 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.413 -2.311 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.252 -3.844 4.769 1.00 0.00 H new ATOM 0 HH TYR A 25 7.253 -3.130 4.158 1.00 0.00 H new ATOM 429 N LYS A 26 10.805 -5.744 0.225 1.00 0.00 N ATOM 430 CA LYS A 26 9.839 -6.832 0.314 1.00 0.00 C ATOM 431 C LYS A 26 10.213 -7.953 -0.648 1.00 0.00 C ATOM 432 O LYS A 26 9.899 -9.119 -0.412 1.00 0.00 O ATOM 433 CB LYS A 26 8.425 -6.330 0.018 1.00 0.00 C ATOM 434 CG LYS A 26 8.283 -5.680 -1.346 1.00 0.00 C ATOM 435 CD LYS A 26 6.911 -5.944 -1.947 1.00 0.00 C ATOM 436 CE LYS A 26 5.852 -5.032 -1.347 1.00 0.00 C ATOM 437 NZ LYS A 26 4.589 -5.763 -1.055 1.00 0.00 N ATOM 0 H LYS A 26 10.460 -4.900 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 26 9.858 -7.221 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.730 -7.167 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.136 -5.612 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.442 -4.605 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.054 -6.062 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.951 -5.795 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.634 -6.985 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.234 -4.587 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.646 -4.213 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.894 -5.106 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.210 -6.166 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.780 -6.529 -0.378 1.00 0.00 H new ATOM 451 N ALA A 27 10.901 -7.591 -1.726 1.00 0.00 N ATOM 452 CA ALA A 27 11.335 -8.566 -2.717 1.00 0.00 C ATOM 453 C ALA A 27 12.518 -9.373 -2.194 1.00 0.00 C ATOM 454 O ALA A 27 12.730 -10.516 -2.600 1.00 0.00 O ATOM 455 CB ALA A 27 11.700 -7.870 -4.019 1.00 0.00 C ATOM 0 H ALA A 27 11.169 -6.629 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 27 10.510 -9.253 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.022 -8.611 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.830 -7.337 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.509 -7.162 -3.839 1.00 0.00 H new ATOM 461 N GLY A 28 13.286 -8.772 -1.287 1.00 0.00 N ATOM 462 CA GLY A 28 14.437 -9.451 -0.721 1.00 0.00 C ATOM 463 C GLY A 28 14.397 -9.497 0.795 1.00 0.00 C ATOM 464 O GLY A 28 15.436 -9.613 1.445 1.00 0.00 O ATOM 0 H GLY A 28 13.130 -7.827 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.483 -10.468 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.347 -8.945 -1.042 1.00 0.00 H new ATOM 468 N LEU A 29 13.196 -9.404 1.360 1.00 0.00 N ATOM 469 CA LEU A 29 13.028 -9.434 2.809 1.00 0.00 C ATOM 470 C LEU A 29 13.437 -10.784 3.393 1.00 0.00 C ATOM 471 O LEU A 29 13.632 -10.914 4.601 1.00 0.00 O ATOM 472 CB LEU A 29 11.576 -9.123 3.182 1.00 0.00 C ATOM 473 CG LEU A 29 11.399 -8.261 4.433 1.00 0.00 C ATOM 474 CD1 LEU A 29 12.079 -8.908 5.629 1.00 0.00 C ATOM 475 CD2 LEU A 29 11.948 -6.863 4.196 1.00 0.00 C ATOM 0 H LEU A 29 12.326 -9.307 0.836 1.00 0.00 H new ATOM 0 HA LEU A 29 13.681 -8.671 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.101 -8.618 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.045 -10.064 3.329 1.00 0.00 H new ATOM 0 HG LEU A 29 10.334 -8.181 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.942 -8.280 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.639 -9.889 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.144 -9.020 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.814 -6.262 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.009 -6.925 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.414 -6.398 3.367 1.00 0.00 H new ATOM 487 N GLU A 30 13.565 -11.784 2.531 1.00 0.00 N ATOM 488 CA GLU A 30 13.950 -13.122 2.967 1.00 0.00 C ATOM 489 C GLU A 30 14.972 -13.733 2.014 1.00 0.00 C ATOM 490 O GLU A 30 14.801 -14.857 1.541 1.00 0.00 O ATOM 491 CB GLU A 30 12.718 -14.023 3.065 1.00 0.00 C ATOM 492 CG GLU A 30 11.907 -13.807 4.332 1.00 0.00 C ATOM 493 CD GLU A 30 10.432 -13.587 4.054 1.00 0.00 C ATOM 494 OE1 GLU A 30 10.074 -12.479 3.600 1.00 0.00 O ATOM 495 OE2 GLU A 30 9.637 -14.520 4.289 1.00 0.00 O ATOM 0 H GLU A 30 13.408 -11.695 1.527 1.00 0.00 H new ATOM 0 HA GLU A 30 14.408 -13.039 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.079 -13.846 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.035 -15.065 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.024 -14.672 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.303 -12.946 4.870 1.00 0.00 H new ATOM 502 N LYS A 31 16.032 -12.977 1.729 1.00 0.00 N ATOM 503 CA LYS A 31 17.088 -13.428 0.827 1.00 0.00 C ATOM 504 C LYS A 31 16.494 -13.992 -0.455 1.00 0.00 C ATOM 505 O LYS A 31 16.953 -15.006 -0.980 1.00 0.00 O ATOM 506 CB LYS A 31 17.979 -14.472 1.510 1.00 0.00 C ATOM 507 CG LYS A 31 17.273 -15.781 1.819 1.00 0.00 C ATOM 508 CD LYS A 31 18.259 -16.866 2.222 1.00 0.00 C ATOM 509 CE LYS A 31 19.055 -17.370 1.028 1.00 0.00 C ATOM 510 NZ LYS A 31 18.233 -18.233 0.135 1.00 0.00 N ATOM 0 H LYS A 31 16.181 -12.044 2.113 1.00 0.00 H new ATOM 0 HA LYS A 31 17.705 -12.567 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.837 -14.676 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.366 -14.052 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.553 -15.626 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.710 -16.107 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.942 -16.476 2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.721 -17.697 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.436 -16.520 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.920 -17.932 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.846 -18.678 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.766 -18.971 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.512 -17.653 -0.341 1.00 0.00 H new ATOM 524 N LYS A 32 15.468 -13.315 -0.948 1.00 0.00 N ATOM 525 CA LYS A 32 14.788 -13.728 -2.171 1.00 0.00 C ATOM 526 C LYS A 32 15.379 -13.031 -3.397 1.00 0.00 C ATOM 527 O LYS A 32 14.758 -13.001 -4.459 1.00 0.00 O ATOM 528 CB LYS A 32 13.290 -13.426 -2.069 1.00 0.00 C ATOM 529 CG LYS A 32 12.421 -14.670 -1.981 1.00 0.00 C ATOM 530 CD LYS A 32 10.949 -14.312 -1.859 1.00 0.00 C ATOM 531 CE LYS A 32 10.394 -13.780 -3.172 1.00 0.00 C ATOM 532 NZ LYS A 32 9.124 -13.028 -2.976 1.00 0.00 N ATOM 0 H LYS A 32 15.085 -12.473 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 32 14.932 -14.802 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.112 -12.806 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.986 -12.842 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.575 -15.286 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.724 -15.267 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.383 -15.192 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.819 -13.563 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.132 -13.129 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.222 -14.611 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.780 -12.683 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.411 -13.655 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.293 -12.220 -2.344 1.00 0.00 H new ATOM 546 N LYS A 33 16.580 -12.471 -3.244 1.00 0.00 N ATOM 547 CA LYS A 33 17.254 -11.774 -4.339 1.00 0.00 C ATOM 548 C LYS A 33 16.299 -10.834 -5.074 1.00 0.00 C ATOM 549 O LYS A 33 15.191 -10.569 -4.608 1.00 0.00 O ATOM 550 CB LYS A 33 17.860 -12.785 -5.318 1.00 0.00 C ATOM 551 CG LYS A 33 16.826 -13.563 -6.116 1.00 0.00 C ATOM 552 CD LYS A 33 17.470 -14.336 -7.256 1.00 0.00 C ATOM 553 CE LYS A 33 17.672 -13.458 -8.480 1.00 0.00 C ATOM 554 NZ LYS A 33 19.077 -12.978 -8.594 1.00 0.00 N ATOM 0 H LYS A 33 17.106 -12.487 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 33 18.053 -11.170 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.517 -12.258 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.480 -13.488 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.301 -14.254 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.081 -12.876 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.431 -14.734 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.844 -15.189 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.406 -14.018 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.999 -12.602 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.307 -12.811 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.185 -12.091 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.722 -13.696 -8.206 1.00 0.00 H new ATOM 568 N LEU A 34 16.737 -10.333 -6.226 1.00 0.00 N ATOM 569 CA LEU A 34 15.920 -9.424 -7.024 1.00 0.00 C ATOM 570 C LEU A 34 15.783 -9.933 -8.455 1.00 0.00 C ATOM 571 O LEU A 34 16.773 -10.277 -9.101 1.00 0.00 O ATOM 572 CB LEU A 34 16.532 -8.020 -7.026 1.00 0.00 C ATOM 573 CG LEU A 34 17.066 -7.534 -5.675 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.044 -7.776 -4.572 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.384 -8.218 -5.344 1.00 0.00 C ATOM 0 H LEU A 34 17.652 -10.541 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 34 14.928 -9.379 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.348 -7.999 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.778 -7.314 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 34 17.244 -6.461 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.444 -7.423 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.126 -7.236 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.830 -8.842 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.748 -7.860 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.232 -9.296 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.117 -7.988 -6.117 1.00 0.00 H new ATOM 587 N SER A 35 14.548 -9.978 -8.946 1.00 0.00 N ATOM 588 CA SER A 35 14.280 -10.445 -10.301 1.00 0.00 C ATOM 589 C SER A 35 14.097 -9.269 -11.256 1.00 0.00 C ATOM 590 O SER A 35 14.284 -8.114 -10.877 1.00 0.00 O ATOM 591 CB SER A 35 13.035 -11.333 -10.320 1.00 0.00 C ATOM 592 OG SER A 35 12.213 -11.083 -9.193 1.00 0.00 O ATOM 0 H SER A 35 13.717 -9.697 -8.425 1.00 0.00 H new ATOM 0 HA SER A 35 15.138 -11.029 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.469 -11.152 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.332 -12.382 -10.332 1.00 0.00 H new ATOM 0 HG SER A 35 11.423 -11.662 -9.229 1.00 0.00 H new ATOM 598 N ASP A 36 13.731 -9.573 -12.497 1.00 0.00 N ATOM 599 CA ASP A 36 13.523 -8.541 -13.507 1.00 0.00 C ATOM 600 C ASP A 36 12.034 -8.284 -13.731 1.00 0.00 C ATOM 601 O ASP A 36 11.648 -7.228 -14.232 1.00 0.00 O ATOM 602 CB ASP A 36 14.185 -8.946 -14.824 1.00 0.00 C ATOM 603 CG ASP A 36 15.630 -9.367 -14.638 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.345 -8.704 -13.858 1.00 0.00 O ATOM 605 OD2 ASP A 36 16.045 -10.361 -15.272 1.00 0.00 O ATOM 0 H ASP A 36 13.572 -10.525 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 36 13.980 -7.620 -13.145 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.625 -9.767 -15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.140 -8.110 -15.523 1.00 0.00 H new ATOM 610 N ASP A 37 11.202 -9.253 -13.358 1.00 0.00 N ATOM 611 CA ASP A 37 9.759 -9.124 -13.522 1.00 0.00 C ATOM 612 C ASP A 37 9.099 -8.662 -12.226 1.00 0.00 C ATOM 613 O ASP A 37 7.909 -8.890 -12.010 1.00 0.00 O ATOM 614 CB ASP A 37 9.155 -10.459 -13.964 1.00 0.00 C ATOM 615 CG ASP A 37 9.392 -11.564 -12.952 1.00 0.00 C ATOM 616 OD1 ASP A 37 10.527 -11.669 -12.443 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.440 -12.322 -12.670 1.00 0.00 O ATOM 0 H ASP A 37 11.503 -10.134 -12.941 1.00 0.00 H new ATOM 0 HA ASP A 37 9.573 -8.373 -14.290 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.083 -10.336 -14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.585 -10.750 -14.923 1.00 0.00 H new ATOM 622 N ASP A 38 9.877 -8.011 -11.367 1.00 0.00 N ATOM 623 CA ASP A 38 9.365 -7.516 -10.094 1.00 0.00 C ATOM 624 C ASP A 38 8.397 -6.358 -10.313 1.00 0.00 C ATOM 625 O ASP A 38 8.813 -5.215 -10.502 1.00 0.00 O ATOM 626 CB ASP A 38 10.519 -7.071 -9.195 1.00 0.00 C ATOM 627 CG ASP A 38 10.096 -6.909 -7.748 1.00 0.00 C ATOM 628 OD1 ASP A 38 10.066 -7.925 -7.021 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.793 -5.768 -7.341 1.00 0.00 O ATOM 0 H ASP A 38 10.865 -7.814 -11.529 1.00 0.00 H new ATOM 0 HA ASP A 38 8.827 -8.328 -9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.325 -7.802 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.918 -6.125 -9.562 1.00 0.00 H new ATOM 634 N GLU A 39 7.102 -6.662 -10.292 1.00 0.00 N ATOM 635 CA GLU A 39 6.076 -5.645 -10.492 1.00 0.00 C ATOM 636 C GLU A 39 5.255 -5.438 -9.223 1.00 0.00 C ATOM 637 O GLU A 39 4.846 -6.399 -8.570 1.00 0.00 O ATOM 638 CB GLU A 39 5.156 -6.042 -11.648 1.00 0.00 C ATOM 639 CG GLU A 39 5.739 -5.744 -13.019 1.00 0.00 C ATOM 640 CD GLU A 39 5.216 -4.448 -13.606 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.059 -4.084 -13.305 1.00 0.00 O ATOM 642 OE2 GLU A 39 5.962 -3.797 -14.367 1.00 0.00 O ATOM 0 H GLU A 39 6.740 -7.603 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 39 6.574 -4.707 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.939 -7.108 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.207 -5.516 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.825 -5.692 -12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.505 -6.566 -13.696 1.00 0.00 H new ATOM 649 N ILE A 40 5.018 -4.176 -8.880 1.00 0.00 N ATOM 650 CA ILE A 40 4.245 -3.837 -7.692 1.00 0.00 C ATOM 651 C ILE A 40 3.336 -2.640 -7.959 1.00 0.00 C ATOM 652 O ILE A 40 3.747 -1.663 -8.584 1.00 0.00 O ATOM 653 CB ILE A 40 5.171 -3.527 -6.493 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.892 -4.800 -6.045 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.384 -2.923 -5.335 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.238 -5.001 -6.708 1.00 0.00 C ATOM 0 H ILE A 40 5.351 -3.370 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 40 3.630 -4.703 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 40 5.912 -2.794 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.030 -4.768 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.259 -5.661 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.060 -2.715 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.912 -1.996 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.617 -3.626 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.690 -5.923 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.106 -5.066 -7.788 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.889 -4.159 -6.472 1.00 0.00 H new ATOM 668 N ALA A 41 2.100 -2.725 -7.481 1.00 0.00 N ATOM 669 CA ALA A 41 1.132 -1.651 -7.667 1.00 0.00 C ATOM 670 C ALA A 41 0.868 -0.918 -6.358 1.00 0.00 C ATOM 671 O ALA A 41 0.392 -1.511 -5.388 1.00 0.00 O ATOM 672 CB ALA A 41 -0.165 -2.204 -8.236 1.00 0.00 C ATOM 0 H ALA A 41 1.744 -3.527 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 41 1.551 -0.936 -8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.879 -1.392 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.032 -2.676 -9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.579 -2.941 -7.548 1.00 0.00 H new ATOM 678 N ILE A 42 1.177 0.373 -6.336 1.00 0.00 N ATOM 679 CA ILE A 42 0.971 1.187 -5.146 1.00 0.00 C ATOM 680 C ILE A 42 -0.284 2.042 -5.278 1.00 0.00 C ATOM 681 O ILE A 42 -0.348 2.943 -6.114 1.00 0.00 O ATOM 682 CB ILE A 42 2.179 2.104 -4.875 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.484 1.310 -4.971 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.051 2.759 -3.508 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.719 2.182 -5.012 1.00 0.00 C ATOM 0 H ILE A 42 1.571 0.878 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 42 0.853 0.500 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 42 2.197 2.888 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.553 0.636 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.457 0.689 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.912 3.404 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.139 3.355 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.010 1.989 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.607 1.553 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.672 2.839 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.770 2.784 -4.105 1.00 0.00 H new ATOM 697 N ILE A 43 -1.282 1.754 -4.448 1.00 0.00 N ATOM 698 CA ILE A 43 -2.537 2.498 -4.474 1.00 0.00 C ATOM 699 C ILE A 43 -2.789 3.193 -3.142 1.00 0.00 C ATOM 700 O ILE A 43 -3.068 2.542 -2.134 1.00 0.00 O ATOM 701 CB ILE A 43 -3.735 1.581 -4.792 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.377 0.592 -5.904 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.947 2.413 -5.186 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.063 1.257 -7.227 1.00 0.00 C ATOM 0 H ILE A 43 -1.246 1.011 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.442 3.244 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.982 1.011 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.516 0.001 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.206 -0.102 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.785 1.752 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.216 3.077 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.709 3.007 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.818 0.496 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.930 1.825 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.214 1.930 -7.104 1.00 0.00 H new ATOM 716 N SER A 44 -2.692 4.518 -3.143 1.00 0.00 N ATOM 717 CA SER A 44 -2.911 5.300 -1.931 1.00 0.00 C ATOM 718 C SER A 44 -4.079 6.265 -2.112 1.00 0.00 C ATOM 719 O SER A 44 -4.294 6.799 -3.201 1.00 0.00 O ATOM 720 CB SER A 44 -1.645 6.075 -1.564 1.00 0.00 C ATOM 721 OG SER A 44 -1.251 6.940 -2.615 1.00 0.00 O ATOM 0 H SER A 44 -2.464 5.073 -3.968 1.00 0.00 H new ATOM 0 HA SER A 44 -3.154 4.612 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.820 6.655 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.839 5.376 -1.343 1.00 0.00 H new ATOM 0 HG SER A 44 -0.440 7.424 -2.353 1.00 0.00 H new ATOM 727 N ILE A 45 -4.831 6.483 -1.038 1.00 0.00 N ATOM 728 CA ILE A 45 -5.978 7.383 -1.079 1.00 0.00 C ATOM 729 C ILE A 45 -5.962 8.347 0.103 1.00 0.00 C ATOM 730 O ILE A 45 -7.012 8.739 0.612 1.00 0.00 O ATOM 731 CB ILE A 45 -7.307 6.602 -1.072 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.264 5.462 -2.091 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.472 7.536 -1.364 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.282 4.376 -1.824 1.00 0.00 C ATOM 0 H ILE A 45 -4.667 6.049 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.903 7.949 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.450 6.171 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.432 5.870 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.267 5.022 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.403 6.970 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.514 8.315 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.335 7.994 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.195 3.600 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.101 3.942 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.285 4.802 -1.854 1.00 0.00 H new ATOM 746 N LYS A 46 -4.763 8.726 0.535 1.00 0.00 N ATOM 747 CA LYS A 46 -4.610 9.644 1.659 1.00 0.00 C ATOM 748 C LYS A 46 -3.137 9.953 1.910 1.00 0.00 C ATOM 749 O LYS A 46 -2.730 11.115 1.927 1.00 0.00 O ATOM 750 CB LYS A 46 -5.248 9.054 2.920 1.00 0.00 C ATOM 751 CG LYS A 46 -6.394 9.888 3.468 1.00 0.00 C ATOM 752 CD LYS A 46 -7.477 9.012 4.081 1.00 0.00 C ATOM 753 CE LYS A 46 -8.200 9.728 5.210 1.00 0.00 C ATOM 754 NZ LYS A 46 -9.077 10.820 4.704 1.00 0.00 N ATOM 0 H LYS A 46 -3.884 8.412 0.124 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.119 10.575 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.613 8.051 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.483 8.951 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.015 10.580 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.822 10.491 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.194 8.727 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.032 8.092 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.800 9.010 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.469 10.142 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.552 11.283 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.501 11.518 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.791 10.422 4.061 1.00 0.00 H new ATOM 768 N GLY A 47 -2.342 8.905 2.104 1.00 0.00 N ATOM 769 CA GLY A 47 -0.924 9.084 2.350 1.00 0.00 C ATOM 770 C GLY A 47 -0.596 9.177 3.827 1.00 0.00 C ATOM 771 O GLY A 47 0.388 9.807 4.213 1.00 0.00 O ATOM 0 H GLY A 47 -2.656 7.934 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.375 8.251 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.583 9.990 1.848 1.00 0.00 H new ATOM 775 N THR A 48 -1.422 8.547 4.655 1.00 0.00 N ATOM 776 CA THR A 48 -1.216 8.560 6.098 1.00 0.00 C ATOM 777 C THR A 48 -2.058 7.483 6.776 1.00 0.00 C ATOM 778 O THR A 48 -1.577 6.763 7.651 1.00 0.00 O ATOM 779 CB THR A 48 -1.563 9.933 6.676 1.00 0.00 C ATOM 780 OG1 THR A 48 -1.565 9.898 8.091 1.00 0.00 O ATOM 781 CG2 THR A 48 -2.913 10.450 6.228 1.00 0.00 C ATOM 0 H THR A 48 -2.241 8.021 4.351 1.00 0.00 H new ATOM 0 HA THR A 48 -0.164 8.351 6.290 1.00 0.00 H new ATOM 0 HB THR A 48 -0.792 10.605 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.788 10.786 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.095 11.427 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.926 10.540 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.692 9.756 6.544 1.00 0.00 H new ATOM 789 N GLN A 49 -3.316 7.378 6.362 1.00 0.00 N ATOM 790 CA GLN A 49 -4.227 6.388 6.924 1.00 0.00 C ATOM 791 C GLN A 49 -4.632 5.365 5.869 1.00 0.00 C ATOM 792 O GLN A 49 -4.778 4.178 6.163 1.00 0.00 O ATOM 793 CB GLN A 49 -5.472 7.076 7.492 1.00 0.00 C ATOM 794 CG GLN A 49 -5.604 6.946 9.000 1.00 0.00 C ATOM 795 CD GLN A 49 -6.333 5.683 9.416 1.00 0.00 C ATOM 796 OE1 GLN A 49 -5.735 4.762 9.971 1.00 0.00 O ATOM 797 NE2 GLN A 49 -7.633 5.634 9.148 1.00 0.00 N ATOM 0 H GLN A 49 -3.728 7.967 5.638 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.710 5.867 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.445 8.133 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.358 6.652 7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.611 6.953 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.136 7.813 9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.089 6.421 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.176 4.809 9.404 1.00 0.00 H new ATOM 806 N SER A 50 -4.814 5.833 4.638 1.00 0.00 N ATOM 807 CA SER A 50 -5.204 4.960 3.538 1.00 0.00 C ATOM 808 C SER A 50 -4.005 4.630 2.655 1.00 0.00 C ATOM 809 O SER A 50 -3.800 5.249 1.611 1.00 0.00 O ATOM 810 CB SER A 50 -6.301 5.622 2.702 1.00 0.00 C ATOM 811 OG SER A 50 -7.212 4.661 2.201 1.00 0.00 O ATOM 0 H SER A 50 -4.697 6.812 4.378 1.00 0.00 H new ATOM 0 HA SER A 50 -5.588 4.031 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.836 6.351 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.851 6.168 1.873 1.00 0.00 H new ATOM 0 HG SER A 50 -7.986 5.117 1.810 1.00 0.00 H new ATOM 817 N ASN A 51 -3.215 3.652 3.083 1.00 0.00 N ATOM 818 CA ASN A 51 -2.035 3.238 2.335 1.00 0.00 C ATOM 819 C ASN A 51 -2.069 1.740 2.054 1.00 0.00 C ATOM 820 O ASN A 51 -2.103 0.925 2.976 1.00 0.00 O ATOM 821 CB ASN A 51 -0.765 3.601 3.106 1.00 0.00 C ATOM 822 CG ASN A 51 -0.615 5.098 3.294 1.00 0.00 C ATOM 823 OD1 ASN A 51 -1.398 5.727 4.007 1.00 0.00 O ATOM 824 ND2 ASN A 51 0.393 5.679 2.654 1.00 0.00 N ATOM 0 H ASN A 51 -3.371 3.131 3.946 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.033 3.766 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.783 3.114 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.104 3.215 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.542 6.684 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.018 5.120 2.073 1.00 0.00 H new ATOM 831 N HIS A 52 -2.061 1.384 0.773 1.00 0.00 N ATOM 832 CA HIS A 52 -2.093 -0.016 0.368 1.00 0.00 C ATOM 833 C HIS A 52 -1.087 -0.287 -0.744 1.00 0.00 C ATOM 834 O HIS A 52 -0.799 0.587 -1.563 1.00 0.00 O ATOM 835 CB HIS A 52 -3.499 -0.401 -0.096 1.00 0.00 C ATOM 836 CG HIS A 52 -4.583 0.076 0.820 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.051 -0.667 1.884 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.292 1.231 0.830 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.001 0.009 2.506 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.165 1.162 1.887 1.00 0.00 N ATOM 0 H HIS A 52 -2.033 2.046 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.822 -0.623 1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.669 0.009 -1.091 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.560 -1.486 -0.183 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.189 2.052 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.550 -0.326 3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.833 1.886 2.151 1.00 0.00 H new ATOM 849 N VAL A 53 -0.554 -1.504 -0.769 1.00 0.00 N ATOM 850 CA VAL A 53 0.421 -1.894 -1.780 1.00 0.00 C ATOM 851 C VAL A 53 0.294 -3.378 -2.118 1.00 0.00 C ATOM 852 O VAL A 53 0.405 -4.235 -1.242 1.00 0.00 O ATOM 853 CB VAL A 53 1.862 -1.598 -1.316 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.194 -2.384 -0.058 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.857 -1.905 -2.426 1.00 0.00 C ATOM 0 H VAL A 53 -0.782 -2.238 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 53 0.211 -1.303 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 53 1.934 -0.536 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.215 -2.160 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.504 -2.105 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.102 -3.451 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.867 -1.690 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.784 -2.958 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.633 -1.288 -3.296 1.00 0.00 H new ATOM 865 N LEU A 54 0.059 -3.671 -3.392 1.00 0.00 N ATOM 866 CA LEU A 54 -0.086 -5.051 -3.845 1.00 0.00 C ATOM 867 C LEU A 54 1.174 -5.526 -4.562 1.00 0.00 C ATOM 868 O LEU A 54 2.090 -4.744 -4.813 1.00 0.00 O ATOM 869 CB LEU A 54 -1.298 -5.180 -4.770 1.00 0.00 C ATOM 870 CG LEU A 54 -2.534 -5.817 -4.130 1.00 0.00 C ATOM 871 CD1 LEU A 54 -3.643 -5.980 -5.157 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.177 -7.158 -3.507 1.00 0.00 C ATOM 0 H LEU A 54 -0.035 -2.973 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.239 -5.681 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.566 -4.188 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.012 -5.772 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.895 -5.157 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.513 -6.434 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.916 -5.003 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.296 -6.620 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.066 -7.598 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.792 -7.826 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.416 -7.012 -2.740 1.00 0.00 H new ATOM 884 N PHE A 55 1.212 -6.814 -4.890 1.00 0.00 N ATOM 885 CA PHE A 55 2.360 -7.395 -5.578 1.00 0.00 C ATOM 886 C PHE A 55 1.927 -8.093 -6.865 1.00 0.00 C ATOM 887 O PHE A 55 1.158 -9.054 -6.833 1.00 0.00 O ATOM 888 CB PHE A 55 3.082 -8.386 -4.658 1.00 0.00 C ATOM 889 CG PHE A 55 4.204 -9.136 -5.325 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.962 -8.541 -6.321 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.498 -10.438 -4.951 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.992 -9.231 -6.932 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.527 -11.132 -5.561 1.00 0.00 C ATOM 894 CZ PHE A 55 6.274 -10.528 -6.552 1.00 0.00 C ATOM 0 H PHE A 55 0.461 -7.475 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 55 3.045 -6.589 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.480 -7.845 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.357 -9.104 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.745 -7.527 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.918 -10.915 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.576 -8.756 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.746 -12.146 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.078 -11.069 -7.029 1.00 0.00 H new ATOM 904 N LEU A 56 2.432 -7.607 -7.994 1.00 0.00 N ATOM 905 CA LEU A 56 2.103 -8.188 -9.290 1.00 0.00 C ATOM 906 C LEU A 56 3.261 -9.031 -9.813 1.00 0.00 C ATOM 907 O LEU A 56 4.380 -8.539 -9.967 1.00 0.00 O ATOM 908 CB LEU A 56 1.764 -7.087 -10.298 1.00 0.00 C ATOM 909 CG LEU A 56 0.298 -6.650 -10.313 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.123 -6.147 -8.942 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.073 -5.578 -11.370 1.00 0.00 C ATOM 0 H LEU A 56 3.070 -6.813 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 56 1.233 -8.832 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.384 -6.217 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.034 -7.433 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.317 -7.514 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.169 -5.841 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.001 -6.944 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.497 -5.295 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.975 -5.279 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.698 -4.713 -11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.335 -5.974 -12.351 1.00 0.00 H new ATOM 923 N SER A 57 2.989 -10.305 -10.079 1.00 0.00 N ATOM 924 CA SER A 57 4.011 -11.216 -10.580 1.00 0.00 C ATOM 925 C SER A 57 3.915 -11.369 -12.095 1.00 0.00 C ATOM 926 O SER A 57 4.883 -11.129 -12.816 1.00 0.00 O ATOM 927 CB SER A 57 3.878 -12.584 -9.909 1.00 0.00 C ATOM 928 OG SER A 57 5.130 -13.243 -9.841 1.00 0.00 O ATOM 0 H SER A 57 2.070 -10.729 -9.956 1.00 0.00 H new ATOM 0 HA SER A 57 4.986 -10.792 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.473 -12.462 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.170 -13.198 -10.466 1.00 0.00 H new ATOM 0 HG SER A 57 5.018 -14.114 -9.406 1.00 0.00 H new ATOM 934 N SER A 58 2.742 -11.774 -12.571 1.00 0.00 N ATOM 935 CA SER A 58 2.523 -11.962 -14.000 1.00 0.00 C ATOM 936 C SER A 58 1.707 -10.812 -14.584 1.00 0.00 C ATOM 937 O SER A 58 2.251 -9.921 -15.235 1.00 0.00 O ATOM 938 CB SER A 58 1.811 -13.292 -14.256 1.00 0.00 C ATOM 939 OG SER A 58 1.408 -13.403 -15.611 1.00 0.00 O ATOM 0 H SER A 58 1.930 -11.978 -11.989 1.00 0.00 H new ATOM 0 HA SER A 58 3.495 -11.977 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.475 -14.118 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.939 -13.372 -13.606 1.00 0.00 H new ATOM 0 HG SER A 58 1.240 -14.344 -15.826 1.00 0.00 H new ATOM 945 N TYR A 59 0.399 -10.839 -14.347 1.00 0.00 N ATOM 946 CA TYR A 59 -0.491 -9.799 -14.851 1.00 0.00 C ATOM 947 C TYR A 59 -0.456 -9.748 -16.376 1.00 0.00 C ATOM 948 O TYR A 59 0.049 -8.793 -16.965 1.00 0.00 O ATOM 949 CB TYR A 59 -0.100 -8.438 -14.271 1.00 0.00 C ATOM 950 CG TYR A 59 -1.272 -7.505 -14.070 1.00 0.00 C ATOM 951 CD1 TYR A 59 -1.703 -6.670 -15.094 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.949 -7.459 -12.858 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.775 -5.815 -14.914 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.021 -6.607 -12.671 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.430 -5.788 -13.702 1.00 0.00 C ATOM 956 OH TYR A 59 -4.497 -4.939 -13.521 1.00 0.00 O ATOM 0 H TYR A 59 -0.068 -11.569 -13.809 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.507 -10.039 -14.537 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.400 -8.590 -13.315 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.621 -7.963 -14.936 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.193 -6.689 -16.046 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.632 -8.100 -12.048 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.097 -5.172 -15.719 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.536 -6.583 -11.722 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.244 -5.433 -13.122 1.00 0.00 H new ATOM 966 N ASN A 60 -0.996 -10.785 -17.009 1.00 0.00 N ATOM 967 CA ASN A 60 -1.027 -10.862 -18.465 1.00 0.00 C ATOM 968 C ASN A 60 -2.443 -10.650 -18.998 1.00 0.00 C ATOM 969 O ASN A 60 -2.630 -10.292 -20.161 1.00 0.00 O ATOM 970 CB ASN A 60 -0.491 -12.215 -18.937 1.00 0.00 C ATOM 971 CG ASN A 60 -1.326 -13.375 -18.434 1.00 0.00 C ATOM 972 OD1 ASN A 60 -2.309 -13.766 -19.063 1.00 0.00 O ATOM 973 ND2 ASN A 60 -0.939 -13.933 -17.292 1.00 0.00 N ATOM 0 H ASN A 60 -1.418 -11.584 -16.536 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.391 -10.068 -18.856 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.468 -12.233 -20.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.537 -12.335 -18.594 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.463 -14.717 -16.904 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.118 -13.577 -16.803 1.00 0.00 H new ATOM 980 N SER A 61 -3.438 -10.878 -18.144 1.00 0.00 N ATOM 981 CA SER A 61 -4.834 -10.714 -18.535 1.00 0.00 C ATOM 982 C SER A 61 -5.087 -9.317 -19.095 1.00 0.00 C ATOM 983 O SER A 61 -4.157 -8.532 -19.277 1.00 0.00 O ATOM 984 CB SER A 61 -5.753 -10.971 -17.339 1.00 0.00 C ATOM 985 OG SER A 61 -5.347 -12.125 -16.623 1.00 0.00 O ATOM 0 H SER A 61 -3.303 -11.176 -17.178 1.00 0.00 H new ATOM 0 HA SER A 61 -5.052 -11.441 -19.317 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.743 -10.106 -16.676 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.779 -11.096 -17.685 1.00 0.00 H new ATOM 0 HG SER A 61 -5.949 -12.267 -15.863 1.00 0.00 H new ATOM 991 N VAL A 62 -6.352 -9.016 -19.370 1.00 0.00 N ATOM 992 CA VAL A 62 -6.730 -7.718 -19.913 1.00 0.00 C ATOM 993 C VAL A 62 -7.581 -6.930 -18.908 1.00 0.00 C ATOM 994 O VAL A 62 -7.398 -7.065 -17.700 1.00 0.00 O ATOM 995 CB VAL A 62 -7.486 -7.881 -21.251 1.00 0.00 C ATOM 996 CG1 VAL A 62 -6.680 -8.740 -22.213 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.869 -8.479 -21.022 1.00 0.00 C ATOM 0 H VAL A 62 -7.133 -9.655 -19.225 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.816 -7.155 -20.102 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.615 -6.894 -21.695 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.225 -8.846 -23.151 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.717 -8.266 -22.405 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.519 -9.725 -21.774 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.383 -8.584 -21.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.769 -9.458 -20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.446 -7.823 -20.371 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.507 -6.107 -19.405 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.370 -5.308 -18.536 1.00 0.00 C ATOM 1009 C ASP A 63 -9.955 -6.148 -17.400 1.00 0.00 C ATOM 1010 O ASP A 63 -10.272 -5.627 -16.331 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.503 -4.679 -19.351 1.00 0.00 C ATOM 1012 CG ASP A 63 -10.000 -3.970 -20.592 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -9.755 -4.654 -21.608 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -9.852 -2.730 -20.550 1.00 0.00 O ATOM 0 H ASP A 63 -8.677 -5.977 -20.402 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.758 -4.521 -18.095 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.211 -5.455 -19.642 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.046 -3.970 -18.726 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.100 -7.447 -17.641 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.651 -8.361 -16.644 1.00 0.00 C ATOM 1021 C GLU A 64 -9.922 -8.241 -15.307 1.00 0.00 C ATOM 1022 O GLU A 64 -10.497 -8.515 -14.253 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.573 -9.802 -17.149 1.00 0.00 C ATOM 1024 CG GLU A 64 -9.173 -10.226 -17.561 1.00 0.00 C ATOM 1025 CD GLU A 64 -9.175 -11.157 -18.758 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -10.111 -11.977 -18.870 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -8.242 -11.066 -19.582 1.00 0.00 O ATOM 0 H GLU A 64 -9.843 -7.893 -18.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.694 -8.087 -16.485 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.932 -10.472 -16.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.244 -9.917 -18.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.583 -9.340 -17.795 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.685 -10.721 -16.721 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.656 -7.839 -15.353 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.860 -7.695 -14.138 1.00 0.00 C ATOM 1036 C ILE A 65 -7.578 -6.228 -13.811 1.00 0.00 C ATOM 1037 O ILE A 65 -7.032 -5.916 -12.752 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.521 -8.452 -14.247 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.692 -7.914 -15.414 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -6.769 -9.944 -14.412 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.261 -8.404 -15.414 1.00 0.00 C ATOM 0 H ILE A 65 -8.160 -7.608 -16.214 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.453 -8.127 -13.332 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.959 -8.294 -13.327 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.167 -8.204 -16.351 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.695 -6.825 -15.379 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.815 -10.465 -14.488 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.320 -10.319 -13.549 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.350 -10.118 -15.317 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.732 -7.983 -16.269 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.769 -8.091 -14.493 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.249 -9.492 -15.480 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.950 -5.330 -14.719 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.730 -3.901 -14.513 1.00 0.00 C ATOM 1055 C ARG A 66 -8.781 -3.311 -13.579 1.00 0.00 C ATOM 1056 O ARG A 66 -8.453 -2.736 -12.540 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.755 -3.160 -15.849 1.00 0.00 C ATOM 1058 CG ARG A 66 -6.434 -3.208 -16.600 1.00 0.00 C ATOM 1059 CD ARG A 66 -6.636 -3.115 -18.107 1.00 0.00 C ATOM 1060 NE ARG A 66 -7.724 -2.207 -18.465 1.00 0.00 N ATOM 1061 CZ ARG A 66 -7.668 -0.885 -18.320 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -6.578 -0.309 -17.828 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -8.705 -0.135 -18.668 1.00 0.00 N ATOM 0 H ARG A 66 -8.404 -5.565 -15.602 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.750 -3.779 -14.052 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.536 -3.589 -16.477 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.024 -2.119 -15.672 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.797 -2.388 -16.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.913 -4.135 -16.360 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.712 -2.774 -18.575 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.848 -4.107 -18.505 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.578 -2.611 -18.849 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.777 -0.880 -17.559 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.542 0.705 -17.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.546 -0.571 -19.047 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.662 0.878 -18.557 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.048 -3.447 -13.959 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.148 -2.917 -13.161 1.00 0.00 C ATOM 1079 C LYS A 67 -11.154 -3.513 -11.756 1.00 0.00 C ATOM 1080 O LYS A 67 -11.420 -2.814 -10.779 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.487 -3.191 -13.849 1.00 0.00 C ATOM 1082 CG LYS A 67 -12.623 -4.610 -14.375 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.065 -4.937 -14.727 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.837 -5.433 -13.515 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.203 -5.897 -13.881 1.00 0.00 N ATOM 0 H LYS A 67 -10.338 -3.920 -14.815 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.004 -1.840 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.295 -2.995 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.610 -2.493 -14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.995 -4.734 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.262 -5.314 -13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.552 -4.050 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.086 -5.696 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.290 -6.250 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.910 -4.633 -12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.698 -6.227 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.734 -5.111 -14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.133 -6.678 -14.565 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.864 -4.807 -11.659 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.845 -5.487 -10.367 1.00 0.00 C ATOM 1101 C GLU A 68 -9.770 -4.900 -9.455 1.00 0.00 C ATOM 1102 O GLU A 68 -10.010 -4.668 -8.269 1.00 0.00 O ATOM 1103 CB GLU A 68 -10.618 -6.991 -10.556 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.188 -7.361 -10.920 1.00 0.00 C ATOM 1105 CD GLU A 68 -8.986 -8.860 -11.036 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -9.961 -9.567 -11.366 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -7.852 -9.327 -10.795 1.00 0.00 O ATOM 0 H GLU A 68 -10.640 -5.404 -12.455 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.814 -5.335 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.893 -7.508 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.286 -7.353 -11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.924 -6.888 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.510 -6.964 -10.164 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.588 -4.663 -10.012 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.481 -4.105 -9.245 1.00 0.00 C ATOM 1116 C LEU A 69 -7.714 -2.626 -8.956 1.00 0.00 C ATOM 1117 O LEU A 69 -7.593 -2.180 -7.814 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.163 -4.291 -9.999 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.921 -3.770 -9.272 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.836 -4.354 -7.871 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.665 -4.097 -10.066 1.00 0.00 C ATOM 0 H LEU A 69 -8.372 -4.848 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.423 -4.638 -8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.026 -5.353 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.239 -3.787 -10.963 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.002 -2.686 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.946 -3.971 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.722 -4.069 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.779 -5.441 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.791 -3.720 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.580 -5.177 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.723 -3.629 -11.048 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.051 -1.869 -9.996 1.00 0.00 N ATOM 1134 CA GLU A 70 -8.304 -0.439 -9.851 1.00 0.00 C ATOM 1135 C GLU A 70 -9.332 -0.179 -8.753 1.00 0.00 C ATOM 1136 O GLU A 70 -9.116 0.649 -7.868 1.00 0.00 O ATOM 1137 CB GLU A 70 -8.793 0.150 -11.177 1.00 0.00 C ATOM 1138 CG GLU A 70 -8.089 1.441 -11.564 1.00 0.00 C ATOM 1139 CD GLU A 70 -7.450 1.372 -12.937 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -8.171 1.568 -13.938 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -6.228 1.120 -13.012 1.00 0.00 O ATOM 0 H GLU A 70 -8.155 -2.221 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.369 0.046 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.647 -0.585 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.865 0.336 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.806 2.261 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.323 1.668 -10.823 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.449 -0.898 -8.814 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.504 -0.747 -7.822 1.00 0.00 C ATOM 1150 C GLU A 71 -11.066 -1.325 -6.480 1.00 0.00 C ATOM 1151 O GLU A 71 -11.436 -0.815 -5.423 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.791 -1.431 -8.298 1.00 0.00 C ATOM 1153 CG GLU A 71 -12.762 -2.949 -8.190 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.963 -3.602 -8.845 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.023 -3.690 -8.190 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.844 -4.027 -10.015 1.00 0.00 O ATOM 0 H GLU A 71 -10.645 -1.589 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.701 0.317 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.629 -1.051 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.975 -1.154 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.850 -3.325 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.726 -3.234 -7.139 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.269 -2.389 -6.531 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.776 -3.035 -5.320 1.00 0.00 C ATOM 1165 C ALA A 72 -9.099 -2.026 -4.398 1.00 0.00 C ATOM 1166 O ALA A 72 -9.051 -2.213 -3.183 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.811 -4.158 -5.678 1.00 0.00 C ATOM 0 H ALA A 72 -9.951 -2.821 -7.398 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.628 -3.458 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.450 -4.632 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.325 -4.897 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.967 -3.749 -6.233 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.581 -0.954 -4.989 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.917 0.072 -4.209 1.00 0.00 C ATOM 1175 C GLY A 73 -8.849 1.204 -3.826 1.00 0.00 C ATOM 1176 O GLY A 73 -8.679 1.828 -2.778 1.00 0.00 O ATOM 0 H GLY A 73 -8.610 -0.778 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.502 -0.375 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.079 0.473 -4.780 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.833 1.475 -4.677 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.792 2.545 -4.422 1.00 0.00 C ATOM 1182 C ALA A 74 -12.203 1.996 -4.231 1.00 0.00 C ATOM 1183 O ALA A 74 -13.183 2.628 -4.627 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.769 3.554 -5.559 1.00 0.00 C ATOM 0 H ALA A 74 -9.988 0.969 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.499 3.043 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.489 4.347 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.771 3.983 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.031 3.056 -6.493 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.302 0.819 -3.622 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.598 0.193 -3.379 1.00 0.00 C ATOM 1192 C LYS A 75 -14.051 0.414 -1.941 1.00 0.00 C ATOM 1193 O LYS A 75 -13.363 1.065 -1.153 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.528 -1.307 -3.672 1.00 0.00 C ATOM 1195 CG LYS A 75 -12.380 -2.010 -2.965 1.00 0.00 C ATOM 1196 CD LYS A 75 -12.811 -3.351 -2.395 1.00 0.00 C ATOM 1197 CE LYS A 75 -11.618 -4.256 -2.132 1.00 0.00 C ATOM 1198 NZ LYS A 75 -11.546 -5.379 -3.107 1.00 0.00 N ATOM 0 H LYS A 75 -11.503 0.280 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.324 0.657 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.468 -1.772 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.427 -1.455 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.558 -2.159 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.004 -1.376 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.360 -3.193 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.493 -3.840 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.700 -3.671 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.683 -4.657 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.563 -5.708 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.148 -6.162 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.877 -5.053 -4.037 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.211 -0.138 -1.604 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.759 -0.012 -0.260 1.00 0.00 C ATOM 1214 C ILE A 76 -15.431 -1.242 0.577 1.00 0.00 C ATOM 1215 O ILE A 76 -15.280 -2.342 0.042 1.00 0.00 O ATOM 1216 CB ILE A 76 -17.287 0.183 -0.290 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.941 -0.875 -1.181 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.633 1.583 -0.776 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -19.448 -0.924 -1.057 1.00 0.00 C ATOM 0 H ILE A 76 -15.791 -0.679 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.300 0.868 0.190 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.674 0.066 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.677 -0.677 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -17.532 -1.853 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.716 1.705 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.194 2.320 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -17.237 1.727 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -19.842 -1.697 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -19.721 -1.153 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.868 0.042 -1.338 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.313 -1.053 1.888 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.995 -2.150 2.804 1.00 0.00 C ATOM 1233 C ASN A 77 -13.509 -2.499 2.744 1.00 0.00 C ATOM 1234 O ASN A 77 -12.823 -2.502 3.765 1.00 0.00 O ATOM 1235 CB ASN A 77 -15.836 -3.389 2.479 1.00 0.00 C ATOM 1236 CG ASN A 77 -16.426 -4.030 3.721 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -17.548 -3.719 4.121 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.669 -4.930 4.338 1.00 0.00 N ATOM 0 H ASN A 77 -15.433 -0.148 2.344 1.00 0.00 H new ATOM 0 HA ASN A 77 -15.233 -1.818 3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.642 -3.110 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.217 -4.118 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.012 -5.394 5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.745 -5.157 3.971 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.021 -2.794 1.540 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.617 -3.147 1.338 1.00 0.00 C ATOM 1247 C HIS A 78 -11.289 -4.507 1.953 1.00 0.00 C ATOM 1248 O HIS A 78 -10.121 -4.880 2.058 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.700 -2.070 1.928 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.138 -1.136 0.901 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.804 -0.789 0.850 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -10.736 -0.475 -0.119 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -8.606 0.046 -0.156 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -9.762 0.252 -0.758 1.00 0.00 N ATOM 0 H HIS A 78 -13.580 -2.795 0.687 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.446 -3.210 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.258 -1.493 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.878 -2.553 2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -11.783 -0.513 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.660 0.484 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -9.909 0.854 -1.568 1.00 0.00 H new ATOM 1263 N THR A 79 -12.324 -5.249 2.351 1.00 0.00 N ATOM 1264 CA THR A 79 -12.141 -6.571 2.948 1.00 0.00 C ATOM 1265 C THR A 79 -11.003 -6.567 3.971 1.00 0.00 C ATOM 1266 O THR A 79 -10.576 -5.507 4.430 1.00 0.00 O ATOM 1267 CB THR A 79 -11.866 -7.608 1.857 1.00 0.00 C ATOM 1268 OG1 THR A 79 -12.299 -7.133 0.595 1.00 0.00 O ATOM 1269 CG2 THR A 79 -12.548 -8.935 2.106 1.00 0.00 C ATOM 0 H THR A 79 -13.298 -4.956 2.270 1.00 0.00 H new ATOM 0 HA THR A 79 -13.061 -6.835 3.470 1.00 0.00 H new ATOM 0 HB THR A 79 -10.787 -7.764 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.977 -7.741 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.311 -9.624 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.198 -9.352 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.627 -8.787 2.152 1.00 0.00 H new ATOM 1277 N THR A 80 -10.517 -7.755 4.321 1.00 0.00 N ATOM 1278 CA THR A 80 -9.432 -7.880 5.286 1.00 0.00 C ATOM 1279 C THR A 80 -8.911 -9.313 5.345 1.00 0.00 C ATOM 1280 O THR A 80 -9.488 -10.164 6.022 1.00 0.00 O ATOM 1281 CB THR A 80 -9.903 -7.443 6.674 1.00 0.00 C ATOM 1282 OG1 THR A 80 -8.852 -7.546 7.617 1.00 0.00 O ATOM 1283 CG2 THR A 80 -11.068 -8.258 7.193 1.00 0.00 C ATOM 0 H THR A 80 -10.858 -8.642 3.951 1.00 0.00 H new ATOM 0 HA THR A 80 -8.619 -7.231 4.961 1.00 0.00 H new ATOM 0 HB THR A 80 -10.227 -6.409 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.173 -7.260 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.353 -7.897 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.914 -8.158 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.778 -9.306 7.260 1.00 0.00 H new ATOM 1291 N LEU A 81 -7.816 -9.571 4.628 1.00 0.00 N ATOM 1292 CA LEU A 81 -7.197 -10.899 4.587 1.00 0.00 C ATOM 1293 C LEU A 81 -7.905 -11.820 3.593 1.00 0.00 C ATOM 1294 O LEU A 81 -7.258 -12.534 2.829 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.183 -11.544 5.977 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.771 -10.613 7.121 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -7.631 -10.862 8.350 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.299 -10.798 7.453 1.00 0.00 C ATOM 0 H LEU A 81 -7.335 -8.871 4.063 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.169 -10.761 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.178 -11.936 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.502 -12.395 5.959 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.925 -9.583 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.323 -10.191 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.677 -10.679 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.510 -11.895 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.023 -10.129 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.121 -11.830 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.696 -10.568 6.575 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.236 -11.807 3.608 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.019 -12.648 2.709 1.00 0.00 C ATOM 1312 C LYS A 82 -9.594 -12.452 1.256 1.00 0.00 C ATOM 1313 O LYS A 82 -9.160 -13.397 0.595 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.512 -12.342 2.862 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.356 -13.565 3.179 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.240 -14.620 2.091 1.00 0.00 C ATOM 1317 CE LYS A 82 -12.934 -15.912 2.490 1.00 0.00 C ATOM 1318 NZ LYS A 82 -12.166 -17.112 2.060 1.00 0.00 N ATOM 0 H LYS A 82 -9.793 -11.224 4.232 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.836 -13.688 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.644 -11.605 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.877 -11.888 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.041 -13.988 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.399 -13.269 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.678 -14.241 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.188 -14.819 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.065 -15.934 3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.930 -15.941 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.656 -17.971 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.091 -17.123 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.213 -17.082 2.475 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.721 -11.225 0.763 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.348 -10.916 -0.612 1.00 0.00 C ATOM 1334 C ILE A 83 -7.925 -11.373 -0.910 1.00 0.00 C ATOM 1335 O ILE A 83 -7.599 -11.722 -2.045 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.467 -9.409 -0.907 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -8.729 -8.597 0.161 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -10.930 -8.998 -0.980 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -7.389 -8.069 -0.303 1.00 0.00 C ATOM 0 H ILE A 83 -10.078 -10.430 1.293 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.043 -11.456 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.005 -9.205 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.355 -7.759 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.580 -9.221 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -10.998 -7.930 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.425 -9.556 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.416 -9.213 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.922 -7.504 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.746 -8.904 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.533 -7.419 -1.166 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.082 -11.376 0.117 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.699 -11.802 -0.040 1.00 0.00 C ATOM 1353 C LEU A 84 -5.630 -13.312 -0.229 1.00 0.00 C ATOM 1354 O LEU A 84 -4.927 -13.804 -1.113 1.00 0.00 O ATOM 1355 CB LEU A 84 -4.865 -11.382 1.175 1.00 0.00 C ATOM 1356 CG LEU A 84 -3.425 -11.905 1.187 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -2.436 -10.756 1.060 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.156 -12.704 2.453 1.00 0.00 C ATOM 0 H LEU A 84 -7.332 -11.089 1.063 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.288 -11.318 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.840 -10.293 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.368 -11.727 2.078 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.294 -12.566 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.419 -11.148 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.611 -10.227 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.568 -10.068 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.128 -13.067 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.307 -12.067 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.840 -13.552 2.500 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.377 -14.043 0.594 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.407 -15.495 0.497 1.00 0.00 C ATOM 1372 C GLU A 85 -7.190 -15.930 -0.738 1.00 0.00 C ATOM 1373 O GLU A 85 -7.040 -17.054 -1.216 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.024 -16.108 1.757 1.00 0.00 C ATOM 1375 CG GLU A 85 -8.374 -15.519 2.125 1.00 0.00 C ATOM 1376 CD GLU A 85 -9.002 -16.206 3.323 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -8.259 -16.837 4.102 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -10.238 -16.113 3.480 1.00 0.00 O ATOM 0 H GLU A 85 -6.966 -13.654 1.331 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.381 -15.852 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.134 -17.183 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.337 -15.969 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.257 -14.457 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.046 -15.599 1.271 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.025 -15.029 -1.253 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.811 -15.338 -2.429 1.00 0.00 C ATOM 1387 C GLY A 86 -8.138 -14.880 -3.708 1.00 0.00 C ATOM 1388 O GLY A 86 -8.340 -15.475 -4.768 1.00 0.00 O ATOM 0 H GLY A 86 -8.169 -14.093 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.982 -16.413 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.788 -14.863 -2.345 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.334 -13.823 -3.612 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.631 -13.292 -4.775 1.00 0.00 C ATOM 1394 C HIS A 87 -5.760 -12.098 -4.397 1.00 0.00 C ATOM 1395 O HIS A 87 -6.099 -10.952 -4.695 1.00 0.00 O ATOM 1396 CB HIS A 87 -7.628 -12.883 -5.861 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.090 -13.027 -7.252 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.871 -14.249 -7.851 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -6.726 -12.093 -8.162 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.395 -14.061 -9.069 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -6.298 -12.763 -9.283 1.00 0.00 N ATOM 0 H HIS A 87 -7.154 -13.320 -2.743 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.984 -14.081 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -8.528 -13.490 -5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.923 -11.846 -5.700 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.765 -11.022 -8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.130 -14.838 -9.771 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.960 -12.327 -10.141 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.636 -12.370 -3.743 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.719 -11.312 -3.332 1.00 0.00 C ATOM 1412 C LEU A 88 -3.027 -10.695 -4.543 1.00 0.00 C ATOM 1413 O LEU A 88 -3.302 -11.148 -5.675 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.678 -11.857 -2.343 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.531 -12.675 -2.953 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -2.055 -13.667 -3.980 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -0.491 -11.756 -3.580 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.216 -9.765 -4.352 1.00 0.00 O ATOM 0 H LEU A 88 -4.338 -13.311 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.298 -10.534 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.248 -11.016 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.193 -12.480 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.055 -13.238 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.222 -14.233 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.755 -14.351 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.564 -13.128 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.314 -12.355 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.957 -11.162 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.084 -11.093 -2.817 1.00 0.00 H new TER 1430 LEU A 88