USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 694 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 24 LYS NZ :NH3+ 134:sc= 0.681 (180deg=-0.606) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -161:sc= -15.2! (180deg=-16.7!) USER MOD Single : A 26 ASN : amide:sc= -14.3! C(o=-14!,f=-24!) USER MOD Single : A 27 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.5) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.0828 (180deg=0.0368) USER MOD Single : A 33 GLN : amide:sc= -1.98! X(o=-2!,f=-1.8) USER MOD Single : A 36 HIS : no HD1:sc= -7.5! C(o=-7.5!,f=-4.8!) USER MOD Single : A 46 HIS : no HE2:sc= -2.46! C(o=-2.5!,f=-3.5!) USER MOD Single : A 50 LYS NZ :NH3+ 138:sc= -3.09! (180deg=-6.72!) USER MOD Single : A 52 GLN : amide:sc= -14.1! C(o=-14!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 82 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -2.04! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 2.682 17.871 3.387 1.00 0.00 N ATOM 2 CA GLY A 17 2.071 17.152 4.542 1.00 0.00 C ATOM 3 C GLY A 17 2.232 15.644 4.345 1.00 0.00 C ATOM 4 O GLY A 17 2.687 14.940 5.225 1.00 0.00 O ATOM 0 HA2 GLY A 17 2.549 17.461 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.015 17.408 4.626 1.00 0.00 H new ATOM 10 N GLU A 18 1.863 15.144 3.200 1.00 0.00 N ATOM 11 CA GLU A 18 1.994 13.681 2.948 1.00 0.00 C ATOM 12 C GLU A 18 1.709 13.369 1.475 1.00 0.00 C ATOM 13 O GLU A 18 1.098 14.150 0.772 1.00 0.00 O ATOM 14 CB GLU A 18 0.943 13.030 3.844 1.00 0.00 C ATOM 15 CG GLU A 18 -0.384 13.775 3.697 1.00 0.00 C ATOM 16 CD GLU A 18 -1.387 13.245 4.723 1.00 0.00 C ATOM 17 OE1 GLU A 18 -0.952 12.798 5.771 1.00 0.00 O ATOM 18 OE2 GLU A 18 -2.573 13.294 4.443 1.00 0.00 O ATOM 0 H GLU A 18 1.476 15.685 2.427 1.00 0.00 H new ATOM 0 HA GLU A 18 2.998 13.314 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.816 11.982 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.271 13.052 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.230 14.844 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.776 13.644 2.689 1.00 0.00 H new ATOM 25 N GLU A 19 2.151 12.236 1.002 1.00 0.00 N ATOM 26 CA GLU A 19 1.913 11.879 -0.417 1.00 0.00 C ATOM 27 C GLU A 19 0.584 11.134 -0.571 1.00 0.00 C ATOM 28 O GLU A 19 0.019 11.067 -1.644 1.00 0.00 O ATOM 29 CB GLU A 19 3.087 10.978 -0.800 1.00 0.00 C ATOM 30 CG GLU A 19 4.244 11.839 -1.311 1.00 0.00 C ATOM 31 CD GLU A 19 3.758 12.708 -2.474 1.00 0.00 C ATOM 32 OE1 GLU A 19 2.984 12.212 -3.275 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.168 13.855 -2.542 1.00 0.00 O ATOM 0 H GLU A 19 2.668 11.543 1.543 1.00 0.00 H new ATOM 0 HA GLU A 19 1.849 12.760 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.408 10.394 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.780 10.269 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.626 12.469 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.068 11.204 -1.637 1.00 0.00 H new ATOM 40 N PHE A 20 0.089 10.563 0.490 1.00 0.00 N ATOM 41 CA PHE A 20 -1.194 9.809 0.400 1.00 0.00 C ATOM 42 C PHE A 20 -2.246 10.409 1.350 1.00 0.00 C ATOM 43 O PHE A 20 -1.974 11.348 2.071 1.00 0.00 O ATOM 44 CB PHE A 20 -0.801 8.392 0.801 1.00 0.00 C ATOM 45 CG PHE A 20 0.233 7.884 -0.184 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.185 7.230 -1.351 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.608 8.077 0.055 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.760 6.767 -2.273 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.548 7.614 -0.872 1.00 0.00 C ATOM 50 CZ PHE A 20 2.126 6.957 -2.033 1.00 0.00 C ATOM 0 H PHE A 20 0.516 10.585 1.416 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.651 9.845 -0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.397 8.383 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.676 7.742 0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.238 7.083 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.936 8.581 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.435 6.262 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.602 7.764 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.854 6.596 -2.744 1.00 0.00 H new ATOM 60 N ARG A 21 -3.455 9.892 1.344 1.00 0.00 N ATOM 61 CA ARG A 21 -4.513 10.464 2.237 1.00 0.00 C ATOM 62 C ARG A 21 -4.557 9.745 3.582 1.00 0.00 C ATOM 63 O ARG A 21 -4.492 10.355 4.629 1.00 0.00 O ATOM 64 CB ARG A 21 -5.836 10.239 1.505 1.00 0.00 C ATOM 65 CG ARG A 21 -5.835 11.015 0.195 1.00 0.00 C ATOM 66 CD ARG A 21 -5.138 10.178 -0.872 1.00 0.00 C ATOM 67 NE ARG A 21 -5.892 10.449 -2.125 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.047 11.676 -2.539 1.00 0.00 C ATOM 69 NH1 ARG A 21 -5.008 12.456 -2.678 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.241 12.127 -2.811 1.00 0.00 N ATOM 0 H ARG A 21 -3.751 9.106 0.765 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.315 11.516 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.978 9.176 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.668 10.562 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.857 11.241 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.322 11.968 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.090 10.460 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.160 9.118 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.288 9.676 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.075 12.105 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.130 13.415 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.053 11.520 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.362 13.087 -3.135 1.00 0.00 H new ATOM 84 N MET A 22 -4.697 8.451 3.558 1.00 0.00 N ATOM 85 CA MET A 22 -4.779 7.685 4.832 1.00 0.00 C ATOM 86 C MET A 22 -3.388 7.479 5.426 1.00 0.00 C ATOM 87 O MET A 22 -2.515 6.927 4.792 1.00 0.00 O ATOM 88 CB MET A 22 -5.396 6.348 4.438 1.00 0.00 C ATOM 89 CG MET A 22 -6.731 6.590 3.732 1.00 0.00 C ATOM 90 SD MET A 22 -7.616 5.024 3.595 1.00 0.00 S ATOM 91 CE MET A 22 -7.292 4.756 1.839 1.00 0.00 C ATOM 0 H MET A 22 -4.758 7.889 2.709 1.00 0.00 H new ATOM 0 HA MET A 22 -5.366 8.205 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.719 5.803 3.781 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.547 5.730 5.323 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.327 7.311 4.291 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.562 7.015 2.742 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.007 4.035 1.443 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.393 5.699 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.280 4.372 1.710 1.00 0.00 H new ATOM 101 N GLU A 23 -3.184 7.914 6.640 1.00 0.00 N ATOM 102 CA GLU A 23 -1.850 7.751 7.289 1.00 0.00 C ATOM 103 C GLU A 23 -1.253 6.368 6.991 1.00 0.00 C ATOM 104 O GLU A 23 -0.056 6.184 7.050 1.00 0.00 O ATOM 105 CB GLU A 23 -2.114 7.920 8.783 1.00 0.00 C ATOM 106 CG GLU A 23 -0.784 7.897 9.535 1.00 0.00 C ATOM 107 CD GLU A 23 -0.934 7.076 10.817 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.848 7.358 11.575 1.00 0.00 O ATOM 109 OE2 GLU A 23 -0.133 6.179 11.019 1.00 0.00 O ATOM 0 H GLU A 23 -3.888 8.378 7.214 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.127 8.477 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.634 8.860 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.762 7.121 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.006 7.467 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.473 8.914 9.776 1.00 0.00 H new ATOM 116 N LYS A 24 -2.064 5.395 6.673 1.00 0.00 N ATOM 117 CA LYS A 24 -1.507 4.043 6.375 1.00 0.00 C ATOM 118 C LYS A 24 -0.504 4.114 5.211 1.00 0.00 C ATOM 119 O LYS A 24 0.598 3.609 5.304 1.00 0.00 O ATOM 120 CB LYS A 24 -2.712 3.178 6.001 1.00 0.00 C ATOM 121 CG LYS A 24 -3.495 3.835 4.862 1.00 0.00 C ATOM 122 CD LYS A 24 -4.970 3.438 4.961 1.00 0.00 C ATOM 123 CE LYS A 24 -5.083 1.928 5.179 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.546 1.661 5.242 1.00 0.00 N ATOM 0 H LYS A 24 -3.079 5.475 6.607 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.966 3.632 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.378 2.186 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.358 3.046 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.395 4.919 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.088 3.524 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.446 3.971 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.496 3.724 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.615 1.375 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.585 1.623 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.774 0.836 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.822 1.469 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.066 2.491 4.892 1.00 0.00 H new ATOM 138 N LEU A 25 -0.865 4.744 4.120 1.00 0.00 N ATOM 139 CA LEU A 25 0.090 4.838 2.978 1.00 0.00 C ATOM 140 C LEU A 25 1.240 5.773 3.354 1.00 0.00 C ATOM 141 O LEU A 25 2.379 5.367 3.412 1.00 0.00 O ATOM 142 CB LEU A 25 -0.706 5.426 1.810 1.00 0.00 C ATOM 143 CG LEU A 25 -1.982 4.617 1.551 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.571 5.037 0.206 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.668 3.118 1.500 1.00 0.00 C ATOM 0 H LEU A 25 -1.770 5.192 3.973 1.00 0.00 H new ATOM 0 HA LEU A 25 0.515 3.868 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.966 6.462 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.088 5.434 0.912 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.689 4.807 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.480 4.467 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.808 6.101 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.846 4.844 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.586 2.560 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.957 2.922 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.238 2.804 2.451 1.00 0.00 H new ATOM 157 N ASN A 26 0.945 7.022 3.604 1.00 0.00 N ATOM 158 CA ASN A 26 2.043 7.987 3.977 1.00 0.00 C ATOM 159 C ASN A 26 3.037 7.292 4.911 1.00 0.00 C ATOM 160 O ASN A 26 4.232 7.486 4.815 1.00 0.00 O ATOM 161 CB ASN A 26 1.421 9.213 4.696 1.00 0.00 C ATOM 162 CG ASN A 26 -0.088 9.077 4.873 1.00 0.00 C ATOM 163 OD1 ASN A 26 -0.574 8.014 5.163 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.854 10.122 4.713 1.00 0.00 N ATOM 0 H ASN A 26 0.006 7.420 3.569 1.00 0.00 H new ATOM 0 HA ASN A 26 2.564 8.317 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.889 9.335 5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.638 10.115 4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.863 10.038 4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.443 11.023 4.467 1.00 0.00 H new ATOM 171 N GLN A 27 2.558 6.458 5.797 1.00 0.00 N ATOM 172 CA GLN A 27 3.489 5.733 6.706 1.00 0.00 C ATOM 173 C GLN A 27 4.267 4.711 5.878 1.00 0.00 C ATOM 174 O GLN A 27 5.473 4.627 5.951 1.00 0.00 O ATOM 175 CB GLN A 27 2.598 5.047 7.743 1.00 0.00 C ATOM 176 CG GLN A 27 2.427 5.972 8.950 1.00 0.00 C ATOM 177 CD GLN A 27 2.548 5.166 10.245 1.00 0.00 C ATOM 178 OE1 GLN A 27 2.297 3.978 10.261 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.924 5.770 11.340 1.00 0.00 N ATOM 0 H GLN A 27 1.568 6.250 5.929 1.00 0.00 H new ATOM 0 HA GLN A 27 4.212 6.385 7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.626 4.814 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.043 4.102 8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.183 6.757 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.455 6.464 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.135 6.768 11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.007 5.244 12.210 1.00 0.00 H new ATOM 188 N LEU A 28 3.576 3.960 5.060 1.00 0.00 N ATOM 189 CA LEU A 28 4.262 2.964 4.178 1.00 0.00 C ATOM 190 C LEU A 28 5.324 3.677 3.337 1.00 0.00 C ATOM 191 O LEU A 28 6.507 3.472 3.502 1.00 0.00 O ATOM 192 CB LEU A 28 3.143 2.427 3.269 1.00 0.00 C ATOM 193 CG LEU A 28 2.983 0.900 3.379 1.00 0.00 C ATOM 194 CD1 LEU A 28 3.877 0.229 2.335 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.361 0.403 4.780 1.00 0.00 C ATOM 0 H LEU A 28 2.561 3.993 4.963 1.00 0.00 H new ATOM 0 HA LEU A 28 4.760 2.172 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.201 2.909 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.359 2.694 2.234 1.00 0.00 H new ATOM 0 HG LEU A 28 1.939 0.644 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.770 -0.853 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.583 0.558 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.916 0.503 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.238 -0.679 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.399 0.660 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.714 0.875 5.520 1.00 0.00 H new ATOM 207 N TRP A 29 4.896 4.517 2.438 1.00 0.00 N ATOM 208 CA TRP A 29 5.845 5.269 1.572 1.00 0.00 C ATOM 209 C TRP A 29 7.006 5.838 2.409 1.00 0.00 C ATOM 210 O TRP A 29 8.174 5.582 2.143 1.00 0.00 O ATOM 211 CB TRP A 29 4.959 6.378 1.000 1.00 0.00 C ATOM 212 CG TRP A 29 5.764 7.360 0.226 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.768 8.691 0.447 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.649 7.125 -0.903 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.620 9.291 -0.462 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.185 8.365 -1.318 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.041 5.966 -1.595 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.077 8.453 -2.386 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.936 6.050 -2.670 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.452 7.291 -3.066 1.00 0.00 C ATOM 0 H TRP A 29 3.911 4.718 2.264 1.00 0.00 H new ATOM 0 HA TRP A 29 6.320 4.664 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.195 5.942 0.357 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.440 6.888 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.199 9.204 1.209 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.808 10.293 -0.496 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.650 5.005 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.475 9.411 -2.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.230 5.154 -3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.140 7.350 -3.897 1.00 0.00 H new ATOM 231 N GLU A 30 6.700 6.601 3.424 1.00 0.00 N ATOM 232 CA GLU A 30 7.778 7.172 4.276 1.00 0.00 C ATOM 233 C GLU A 30 8.722 6.058 4.733 1.00 0.00 C ATOM 234 O GLU A 30 9.921 6.238 4.807 1.00 0.00 O ATOM 235 CB GLU A 30 7.059 7.796 5.474 1.00 0.00 C ATOM 236 CG GLU A 30 6.670 9.238 5.138 1.00 0.00 C ATOM 237 CD GLU A 30 7.177 10.177 6.234 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.974 9.736 7.046 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.759 11.323 6.243 1.00 0.00 O ATOM 0 H GLU A 30 5.750 6.852 3.698 1.00 0.00 H new ATOM 0 HA GLU A 30 8.381 7.908 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.170 7.216 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.706 7.777 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.094 9.524 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.587 9.321 5.047 1.00 0.00 H new ATOM 246 N LYS A 31 8.190 4.903 5.024 1.00 0.00 N ATOM 247 CA LYS A 31 9.056 3.773 5.459 1.00 0.00 C ATOM 248 C LYS A 31 9.972 3.377 4.305 1.00 0.00 C ATOM 249 O LYS A 31 11.164 3.203 4.474 1.00 0.00 O ATOM 250 CB LYS A 31 8.096 2.638 5.808 1.00 0.00 C ATOM 251 CG LYS A 31 8.728 1.763 6.888 1.00 0.00 C ATOM 252 CD LYS A 31 7.651 0.901 7.544 1.00 0.00 C ATOM 253 CE LYS A 31 7.865 -0.560 7.151 1.00 0.00 C ATOM 254 NZ LYS A 31 7.642 -1.331 8.406 1.00 0.00 N ATOM 0 H LYS A 31 7.193 4.694 4.979 1.00 0.00 H new ATOM 0 HA LYS A 31 9.689 4.026 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.147 3.043 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.879 2.043 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.500 1.129 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.215 2.387 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.694 1.008 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.662 1.233 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.168 -0.865 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.870 -0.721 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.620 -2.348 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.414 -1.136 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.736 -1.048 8.831 1.00 0.00 H new ATOM 268 N ALA A 32 9.431 3.257 3.123 1.00 0.00 N ATOM 269 CA ALA A 32 10.282 2.911 1.965 1.00 0.00 C ATOM 270 C ALA A 32 11.474 3.856 1.964 1.00 0.00 C ATOM 271 O ALA A 32 12.609 3.450 1.814 1.00 0.00 O ATOM 272 CB ALA A 32 9.403 3.145 0.738 1.00 0.00 C ATOM 0 H ALA A 32 8.440 3.384 2.916 1.00 0.00 H new ATOM 0 HA ALA A 32 10.655 1.887 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.967 2.909 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.523 2.505 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.091 4.189 0.708 1.00 0.00 H new ATOM 278 N GLN A 33 11.220 5.121 2.165 1.00 0.00 N ATOM 279 CA GLN A 33 12.344 6.098 2.213 1.00 0.00 C ATOM 280 C GLN A 33 13.240 5.760 3.406 1.00 0.00 C ATOM 281 O GLN A 33 14.446 5.901 3.357 1.00 0.00 O ATOM 282 CB GLN A 33 11.684 7.464 2.400 1.00 0.00 C ATOM 283 CG GLN A 33 10.749 7.738 1.225 1.00 0.00 C ATOM 284 CD GLN A 33 9.964 9.024 1.482 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.494 9.980 2.010 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.712 9.082 1.129 1.00 0.00 N ATOM 0 H GLN A 33 10.290 5.518 2.297 1.00 0.00 H new ATOM 0 HA GLN A 33 12.963 6.080 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.126 7.486 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.444 8.242 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.324 7.829 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.063 6.902 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.269 8.277 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.174 9.932 1.296 1.00 0.00 H new ATOM 295 N ARG A 34 12.645 5.306 4.477 1.00 0.00 N ATOM 296 CA ARG A 34 13.434 4.941 5.688 1.00 0.00 C ATOM 297 C ARG A 34 14.347 3.746 5.390 1.00 0.00 C ATOM 298 O ARG A 34 15.365 3.562 6.025 1.00 0.00 O ATOM 299 CB ARG A 34 12.388 4.562 6.736 1.00 0.00 C ATOM 300 CG ARG A 34 12.526 5.480 7.951 1.00 0.00 C ATOM 301 CD ARG A 34 11.422 5.156 8.959 1.00 0.00 C ATOM 302 NE ARG A 34 12.051 5.356 10.295 1.00 0.00 N ATOM 303 CZ ARG A 34 11.574 4.735 11.337 1.00 0.00 C ATOM 304 NH1 ARG A 34 11.639 3.433 11.409 1.00 0.00 N ATOM 305 NH2 ARG A 34 11.028 5.417 12.308 1.00 0.00 N ATOM 0 H ARG A 34 11.638 5.172 4.565 1.00 0.00 H new ATOM 0 HA ARG A 34 14.077 5.755 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.387 4.649 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.519 3.522 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.505 5.347 8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.458 6.523 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.561 5.811 8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.066 4.133 8.839 1.00 0.00 H new ATOM 0 HE ARG A 34 12.853 5.978 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.063 2.901 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.265 2.948 12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.975 6.434 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.654 4.933 13.124 1.00 0.00 H new ATOM 319 N LEU A 35 13.989 2.931 4.434 1.00 0.00 N ATOM 320 CA LEU A 35 14.844 1.752 4.100 1.00 0.00 C ATOM 321 C LEU A 35 15.988 2.175 3.173 1.00 0.00 C ATOM 322 O LEU A 35 16.873 1.401 2.876 1.00 0.00 O ATOM 323 CB LEU A 35 13.912 0.778 3.385 1.00 0.00 C ATOM 324 CG LEU A 35 13.208 -0.103 4.416 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.876 0.539 4.808 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.952 -1.485 3.812 1.00 0.00 C ATOM 0 H LEU A 35 13.144 3.029 3.871 1.00 0.00 H new ATOM 0 HA LEU A 35 15.298 1.307 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.176 1.327 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.479 0.160 2.689 1.00 0.00 H new ATOM 0 HG LEU A 35 13.836 -0.204 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.372 -0.088 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.059 1.525 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.246 0.639 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.450 -2.115 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.322 -1.385 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.901 -1.941 3.531 1.00 0.00 H new ATOM 338 N HIS A 36 15.963 3.400 2.722 1.00 0.00 N ATOM 339 CA HIS A 36 17.037 3.915 1.813 1.00 0.00 C ATOM 340 C HIS A 36 16.883 3.348 0.398 1.00 0.00 C ATOM 341 O HIS A 36 17.857 3.093 -0.279 1.00 0.00 O ATOM 342 CB HIS A 36 18.372 3.466 2.419 1.00 0.00 C ATOM 343 CG HIS A 36 18.389 3.739 3.899 1.00 0.00 C ATOM 344 ND1 HIS A 36 19.493 3.448 4.687 1.00 0.00 N ATOM 345 CD2 HIS A 36 17.454 4.275 4.749 1.00 0.00 C ATOM 346 CE1 HIS A 36 19.196 3.808 5.950 1.00 0.00 C ATOM 347 NE2 HIS A 36 17.965 4.317 6.043 1.00 0.00 N ATOM 0 H HIS A 36 15.235 4.078 2.946 1.00 0.00 H new ATOM 0 HA HIS A 36 16.979 5.000 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.523 2.402 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.195 3.992 1.935 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.470 4.613 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.871 3.698 6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.499 4.662 6.882 1.00 0.00 H new ATOM 355 N LEU A 37 15.676 3.164 -0.070 1.00 0.00 N ATOM 356 CA LEU A 37 15.504 2.635 -1.453 1.00 0.00 C ATOM 357 C LEU A 37 16.042 3.658 -2.456 1.00 0.00 C ATOM 358 O LEU A 37 16.192 4.819 -2.131 1.00 0.00 O ATOM 359 CB LEU A 37 13.992 2.478 -1.659 1.00 0.00 C ATOM 360 CG LEU A 37 13.431 1.362 -0.772 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.905 1.349 -0.900 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.976 0.008 -1.231 1.00 0.00 C ATOM 0 H LEU A 37 14.813 3.355 0.439 1.00 0.00 H new ATOM 0 HA LEU A 37 16.034 1.693 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.490 3.418 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.785 2.255 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 37 13.726 1.539 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.494 0.558 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.505 2.311 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.629 1.169 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.573 -0.781 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.680 -0.172 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.064 0.011 -1.160 1.00 0.00 H new ATOM 374 N PRO A 38 16.283 3.204 -3.653 1.00 0.00 N ATOM 375 CA PRO A 38 16.764 4.106 -4.716 1.00 0.00 C ATOM 376 C PRO A 38 15.574 4.924 -5.226 1.00 0.00 C ATOM 377 O PRO A 38 14.456 4.701 -4.808 1.00 0.00 O ATOM 378 CB PRO A 38 17.292 3.156 -5.788 1.00 0.00 C ATOM 379 CG PRO A 38 16.556 1.871 -5.572 1.00 0.00 C ATOM 380 CD PRO A 38 16.133 1.827 -4.121 1.00 0.00 C ATOM 0 HA PRO A 38 17.530 4.814 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.110 3.551 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.368 3.014 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.686 1.813 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.193 1.020 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.104 1.483 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.757 1.142 -3.546 1.00 0.00 H new ATOM 388 N PRO A 39 15.840 5.846 -6.104 1.00 0.00 N ATOM 389 CA PRO A 39 14.752 6.693 -6.652 1.00 0.00 C ATOM 390 C PRO A 39 13.826 5.866 -7.548 1.00 0.00 C ATOM 391 O PRO A 39 12.633 6.098 -7.610 1.00 0.00 O ATOM 392 CB PRO A 39 15.500 7.758 -7.450 1.00 0.00 C ATOM 393 CG PRO A 39 16.810 7.127 -7.798 1.00 0.00 C ATOM 394 CD PRO A 39 17.148 6.186 -6.671 1.00 0.00 C ATOM 0 HA PRO A 39 14.109 7.123 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.947 8.041 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.642 8.665 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.742 6.590 -8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.585 7.884 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.672 5.300 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.794 6.660 -5.933 1.00 0.00 H new ATOM 402 N VAL A 40 14.362 4.897 -8.238 1.00 0.00 N ATOM 403 CA VAL A 40 13.507 4.057 -9.123 1.00 0.00 C ATOM 404 C VAL A 40 12.539 3.223 -8.286 1.00 0.00 C ATOM 405 O VAL A 40 11.375 3.109 -8.601 1.00 0.00 O ATOM 406 CB VAL A 40 14.476 3.149 -9.875 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.076 2.122 -8.916 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.720 2.423 -10.989 1.00 0.00 C ATOM 0 H VAL A 40 15.352 4.651 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 40 12.905 4.661 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 40 15.279 3.750 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.767 1.477 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.612 2.638 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.278 1.517 -8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.407 1.772 -11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.919 1.824 -10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.295 3.154 -11.677 1.00 0.00 H new ATOM 418 N ARG A 41 13.013 2.634 -7.225 1.00 0.00 N ATOM 419 CA ARG A 41 12.125 1.806 -6.371 1.00 0.00 C ATOM 420 C ARG A 41 11.130 2.691 -5.630 1.00 0.00 C ATOM 421 O ARG A 41 10.012 2.300 -5.367 1.00 0.00 O ATOM 422 CB ARG A 41 13.071 1.140 -5.389 1.00 0.00 C ATOM 423 CG ARG A 41 13.177 -0.344 -5.705 1.00 0.00 C ATOM 424 CD ARG A 41 13.338 -1.109 -4.404 1.00 0.00 C ATOM 425 NE ARG A 41 14.759 -0.922 -4.010 1.00 0.00 N ATOM 426 CZ ARG A 41 15.663 -1.780 -4.396 1.00 0.00 C ATOM 427 NH1 ARG A 41 16.254 -1.630 -5.549 1.00 0.00 N ATOM 428 NH2 ARG A 41 15.977 -2.788 -3.628 1.00 0.00 N ATOM 0 H ARG A 41 13.982 2.692 -6.913 1.00 0.00 H new ATOM 0 HA ARG A 41 11.540 1.087 -6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.055 1.605 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.710 1.280 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.286 -0.682 -6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.027 -0.531 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.664 -0.727 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.103 -2.165 -4.537 1.00 0.00 H new ATOM 0 HE ARG A 41 15.028 -0.122 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.009 -0.842 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.961 -2.301 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.516 -2.905 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.684 -3.459 -3.930 1.00 0.00 H new ATOM 442 N LEU A 42 11.524 3.885 -5.294 1.00 0.00 N ATOM 443 CA LEU A 42 10.588 4.791 -4.580 1.00 0.00 C ATOM 444 C LEU A 42 9.572 5.335 -5.579 1.00 0.00 C ATOM 445 O LEU A 42 8.458 5.669 -5.231 1.00 0.00 O ATOM 446 CB LEU A 42 11.458 5.918 -4.027 1.00 0.00 C ATOM 447 CG LEU A 42 12.385 5.363 -2.948 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.581 6.304 -2.790 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.624 5.273 -1.620 1.00 0.00 C ATOM 0 H LEU A 42 12.449 4.271 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 42 10.038 4.291 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.044 6.367 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.830 6.706 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 42 12.732 4.370 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.250 5.917 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.117 6.373 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.229 7.294 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.284 4.877 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.281 6.266 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.765 4.612 -1.737 1.00 0.00 H new ATOM 461 N ALA A 43 9.951 5.411 -6.828 1.00 0.00 N ATOM 462 CA ALA A 43 9.001 5.914 -7.859 1.00 0.00 C ATOM 463 C ALA A 43 7.967 4.829 -8.161 1.00 0.00 C ATOM 464 O ALA A 43 6.773 5.047 -8.066 1.00 0.00 O ATOM 465 CB ALA A 43 9.859 6.203 -9.092 1.00 0.00 C ATOM 0 H ALA A 43 10.873 5.148 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 43 8.460 6.803 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.226 6.578 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.612 6.951 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.351 5.286 -9.416 1.00 0.00 H new ATOM 471 N GLU A 44 8.418 3.650 -8.503 1.00 0.00 N ATOM 472 CA GLU A 44 7.462 2.546 -8.784 1.00 0.00 C ATOM 473 C GLU A 44 6.658 2.258 -7.520 1.00 0.00 C ATOM 474 O GLU A 44 5.464 2.032 -7.562 1.00 0.00 O ATOM 475 CB GLU A 44 8.333 1.345 -9.157 1.00 0.00 C ATOM 476 CG GLU A 44 8.872 1.527 -10.574 1.00 0.00 C ATOM 477 CD GLU A 44 8.649 0.242 -11.373 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.420 -0.785 -10.755 1.00 0.00 O ATOM 479 OE2 GLU A 44 8.712 0.306 -12.590 1.00 0.00 O ATOM 0 H GLU A 44 9.404 3.408 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 44 6.757 2.784 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.159 1.248 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.750 0.426 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.370 2.363 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.934 1.768 -10.542 1.00 0.00 H new ATOM 486 N LEU A 45 7.306 2.294 -6.387 1.00 0.00 N ATOM 487 CA LEU A 45 6.583 2.055 -5.111 1.00 0.00 C ATOM 488 C LEU A 45 5.509 3.125 -4.956 1.00 0.00 C ATOM 489 O LEU A 45 4.390 2.842 -4.596 1.00 0.00 O ATOM 490 CB LEU A 45 7.646 2.182 -4.016 1.00 0.00 C ATOM 491 CG LEU A 45 6.989 2.527 -2.672 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.257 1.301 -2.118 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.072 2.954 -1.686 1.00 0.00 C ATOM 0 H LEU A 45 8.305 2.479 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 45 6.093 1.082 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.201 1.248 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.365 2.955 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 45 6.273 3.336 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.794 1.554 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.488 0.987 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.968 0.488 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.615 3.201 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.782 2.138 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.594 3.828 -2.075 1.00 0.00 H new ATOM 505 N HIS A 46 5.847 4.356 -5.235 1.00 0.00 N ATOM 506 CA HIS A 46 4.840 5.442 -5.112 1.00 0.00 C ATOM 507 C HIS A 46 3.640 5.115 -5.992 1.00 0.00 C ATOM 508 O HIS A 46 2.511 5.163 -5.556 1.00 0.00 O ATOM 509 CB HIS A 46 5.537 6.710 -5.606 1.00 0.00 C ATOM 510 CG HIS A 46 4.833 7.906 -5.030 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.792 8.541 -5.688 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.998 8.580 -3.849 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.370 9.548 -4.899 1.00 0.00 C ATOM 514 NE2 HIS A 46 4.075 9.617 -3.765 1.00 0.00 N ATOM 0 H HIS A 46 6.774 4.653 -5.541 1.00 0.00 H new ATOM 0 HA HIS A 46 4.481 5.563 -4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.584 6.707 -5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.520 6.750 -6.695 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.414 8.292 -6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.735 8.342 -3.096 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.561 10.218 -5.152 1.00 0.00 H new ATOM 522 N ALA A 47 3.876 4.768 -7.226 1.00 0.00 N ATOM 523 CA ALA A 47 2.743 4.421 -8.124 1.00 0.00 C ATOM 524 C ALA A 47 1.917 3.300 -7.491 1.00 0.00 C ATOM 525 O ALA A 47 0.703 3.295 -7.553 1.00 0.00 O ATOM 526 CB ALA A 47 3.395 3.944 -9.422 1.00 0.00 C ATOM 0 H ALA A 47 4.802 4.710 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 47 2.071 5.261 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.621 3.669 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.006 4.745 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.024 3.078 -9.216 1.00 0.00 H new ATOM 532 N ASP A 48 2.569 2.349 -6.879 1.00 0.00 N ATOM 533 CA ASP A 48 1.829 1.226 -6.238 1.00 0.00 C ATOM 534 C ASP A 48 1.059 1.717 -5.008 1.00 0.00 C ATOM 535 O ASP A 48 0.011 1.200 -4.677 1.00 0.00 O ATOM 536 CB ASP A 48 2.908 0.230 -5.822 1.00 0.00 C ATOM 537 CG ASP A 48 2.885 -0.975 -6.762 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.225 -0.804 -7.922 1.00 0.00 O ATOM 539 OD2 ASP A 48 2.525 -2.049 -6.309 1.00 0.00 O ATOM 0 H ASP A 48 3.584 2.302 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 48 1.096 0.785 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.888 0.707 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.741 -0.094 -4.795 1.00 0.00 H new ATOM 544 N LEU A 49 1.564 2.715 -4.330 1.00 0.00 N ATOM 545 CA LEU A 49 0.856 3.234 -3.132 1.00 0.00 C ATOM 546 C LEU A 49 -0.316 4.087 -3.575 1.00 0.00 C ATOM 547 O LEU A 49 -1.308 4.194 -2.890 1.00 0.00 O ATOM 548 CB LEU A 49 1.881 4.082 -2.394 1.00 0.00 C ATOM 549 CG LEU A 49 3.011 3.186 -1.903 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.077 4.052 -1.240 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.454 2.177 -0.896 1.00 0.00 C ATOM 0 H LEU A 49 2.437 3.190 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 49 0.466 2.438 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.274 4.855 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.412 4.590 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 49 3.453 2.646 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.891 3.419 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.464 4.770 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.639 4.587 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.260 1.534 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.017 2.709 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.688 1.568 -1.377 1.00 0.00 H new ATOM 563 N LYS A 50 -0.215 4.683 -4.728 1.00 0.00 N ATOM 564 CA LYS A 50 -1.341 5.508 -5.222 1.00 0.00 C ATOM 565 C LYS A 50 -2.438 4.563 -5.689 1.00 0.00 C ATOM 566 O LYS A 50 -3.594 4.726 -5.364 1.00 0.00 O ATOM 567 CB LYS A 50 -0.779 6.336 -6.382 1.00 0.00 C ATOM 568 CG LYS A 50 0.294 7.309 -5.868 1.00 0.00 C ATOM 569 CD LYS A 50 -0.239 8.138 -4.690 1.00 0.00 C ATOM 570 CE LYS A 50 -1.264 9.160 -5.188 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.584 8.476 -5.091 1.00 0.00 N ATOM 0 H LYS A 50 0.596 4.633 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.762 6.169 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.350 5.676 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.583 6.892 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.177 6.751 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.605 7.973 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.698 7.481 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.585 8.650 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.245 10.064 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.052 9.461 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.292 9.139 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.878 8.153 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.505 7.657 -4.455 1.00 0.00 H new ATOM 585 N ILE A 51 -2.078 3.541 -6.413 1.00 0.00 N ATOM 586 CA ILE A 51 -3.100 2.559 -6.847 1.00 0.00 C ATOM 587 C ILE A 51 -3.735 1.953 -5.595 1.00 0.00 C ATOM 588 O ILE A 51 -4.939 1.804 -5.501 1.00 0.00 O ATOM 589 CB ILE A 51 -2.323 1.504 -7.634 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.794 2.123 -8.932 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.241 0.327 -7.967 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.905 2.929 -9.610 1.00 0.00 C ATOM 0 H ILE A 51 -1.125 3.347 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.896 2.990 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.487 1.148 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.942 2.769 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.439 1.339 -9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.683 -0.422 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.615 -0.115 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.080 0.679 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.525 3.368 -10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.744 2.271 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.239 3.723 -8.941 1.00 0.00 H new ATOM 604 N GLN A 52 -2.927 1.628 -4.618 1.00 0.00 N ATOM 605 CA GLN A 52 -3.474 1.056 -3.359 1.00 0.00 C ATOM 606 C GLN A 52 -4.223 2.140 -2.596 1.00 0.00 C ATOM 607 O GLN A 52 -5.118 1.867 -1.825 1.00 0.00 O ATOM 608 CB GLN A 52 -2.248 0.592 -2.565 1.00 0.00 C ATOM 609 CG GLN A 52 -2.689 0.035 -1.212 1.00 0.00 C ATOM 610 CD GLN A 52 -3.448 -1.272 -1.422 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.017 -2.126 -2.171 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.568 -1.468 -0.787 1.00 0.00 N ATOM 0 H GLN A 52 -1.913 1.735 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.171 0.237 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.708 -0.172 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.561 1.425 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.820 -0.135 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.323 0.758 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.930 -0.751 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.083 -2.338 -0.918 1.00 0.00 H new ATOM 621 N GLU A 53 -3.867 3.370 -2.817 1.00 0.00 N ATOM 622 CA GLU A 53 -4.557 4.483 -2.118 1.00 0.00 C ATOM 623 C GLU A 53 -5.984 4.599 -2.639 1.00 0.00 C ATOM 624 O GLU A 53 -6.934 4.365 -1.930 1.00 0.00 O ATOM 625 CB GLU A 53 -3.749 5.729 -2.474 1.00 0.00 C ATOM 626 CG GLU A 53 -4.256 6.922 -1.671 1.00 0.00 C ATOM 627 CD GLU A 53 -3.895 8.210 -2.410 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.632 8.579 -3.310 1.00 0.00 O ATOM 629 OE2 GLU A 53 -2.888 8.806 -2.065 1.00 0.00 O ATOM 0 H GLU A 53 -3.124 3.654 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.616 4.336 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.693 5.561 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.833 5.935 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.336 6.855 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.812 6.922 -0.676 1.00 0.00 H new ATOM 636 N ARG A 54 -6.141 4.942 -3.880 1.00 0.00 N ATOM 637 CA ARG A 54 -7.511 5.058 -4.443 1.00 0.00 C ATOM 638 C ARG A 54 -8.252 3.739 -4.256 1.00 0.00 C ATOM 639 O ARG A 54 -9.437 3.716 -3.997 1.00 0.00 O ATOM 640 CB ARG A 54 -7.304 5.364 -5.928 1.00 0.00 C ATOM 641 CG ARG A 54 -8.661 5.558 -6.609 1.00 0.00 C ATOM 642 CD ARG A 54 -8.572 6.716 -7.606 1.00 0.00 C ATOM 643 NE ARG A 54 -8.119 6.092 -8.883 1.00 0.00 N ATOM 644 CZ ARG A 54 -8.455 6.627 -10.026 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.691 7.908 -10.105 1.00 0.00 N ATOM 646 NH2 ARG A 54 -8.555 5.878 -11.090 1.00 0.00 N ATOM 0 H ARG A 54 -5.383 5.147 -4.530 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.105 5.831 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.697 6.262 -6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.760 4.548 -6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.956 4.643 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.428 5.765 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.537 7.207 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.868 7.476 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.547 5.248 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.613 8.493 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.953 8.324 -10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.371 4.877 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.817 6.294 -11.984 1.00 0.00 H new ATOM 660 N ASP A 55 -7.565 2.637 -4.369 1.00 0.00 N ATOM 661 CA ASP A 55 -8.241 1.325 -4.179 1.00 0.00 C ATOM 662 C ASP A 55 -8.625 1.151 -2.708 1.00 0.00 C ATOM 663 O ASP A 55 -9.581 0.474 -2.380 1.00 0.00 O ATOM 664 CB ASP A 55 -7.202 0.284 -4.590 1.00 0.00 C ATOM 665 CG ASP A 55 -6.972 0.361 -6.101 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.009 1.459 -6.630 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.762 -0.681 -6.702 1.00 0.00 O ATOM 0 H ASP A 55 -6.569 2.588 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.156 1.236 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.266 0.460 -4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.542 -0.714 -4.314 1.00 0.00 H new ATOM 672 N GLU A 56 -7.880 1.751 -1.815 1.00 0.00 N ATOM 673 CA GLU A 56 -8.196 1.607 -0.365 1.00 0.00 C ATOM 674 C GLU A 56 -9.353 2.521 0.044 1.00 0.00 C ATOM 675 O GLU A 56 -10.310 2.059 0.614 1.00 0.00 O ATOM 676 CB GLU A 56 -6.917 1.988 0.376 1.00 0.00 C ATOM 677 CG GLU A 56 -7.051 1.625 1.856 1.00 0.00 C ATOM 678 CD GLU A 56 -6.067 0.505 2.202 1.00 0.00 C ATOM 679 OE1 GLU A 56 -5.030 0.437 1.565 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.368 -0.264 3.101 1.00 0.00 O ATOM 0 H GLU A 56 -7.069 2.332 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.512 0.591 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.064 1.468 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.728 3.056 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.853 2.500 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.071 1.306 2.072 1.00 0.00 H new ATOM 687 N LEU A 57 -9.296 3.802 -0.236 1.00 0.00 N ATOM 688 CA LEU A 57 -10.439 4.679 0.167 1.00 0.00 C ATOM 689 C LEU A 57 -11.644 4.322 -0.682 1.00 0.00 C ATOM 690 O LEU A 57 -12.765 4.277 -0.212 1.00 0.00 O ATOM 691 CB LEU A 57 -10.026 6.143 -0.060 1.00 0.00 C ATOM 692 CG LEU A 57 -9.133 6.303 -1.291 1.00 0.00 C ATOM 693 CD1 LEU A 57 -9.691 7.417 -2.178 1.00 0.00 C ATOM 694 CD2 LEU A 57 -7.719 6.681 -0.831 1.00 0.00 C ATOM 0 H LEU A 57 -8.526 4.269 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.695 4.539 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.919 6.757 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.499 6.512 0.820 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.104 5.370 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.057 7.534 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.703 7.160 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.712 8.352 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.073 6.798 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.755 7.619 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.323 5.895 -0.188 1.00 0.00 H new ATOM 706 N ALA A 58 -11.422 4.031 -1.926 1.00 0.00 N ATOM 707 CA ALA A 58 -12.559 3.637 -2.779 1.00 0.00 C ATOM 708 C ALA A 58 -13.166 2.373 -2.178 1.00 0.00 C ATOM 709 O ALA A 58 -14.356 2.290 -1.897 1.00 0.00 O ATOM 710 CB ALA A 58 -11.967 3.362 -4.161 1.00 0.00 C ATOM 0 H ALA A 58 -10.510 4.049 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.338 4.396 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.762 3.064 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.485 4.265 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.231 2.561 -4.089 1.00 0.00 H new ATOM 716 N TRP A 59 -12.345 1.388 -1.938 1.00 0.00 N ATOM 717 CA TRP A 59 -12.869 0.158 -1.322 1.00 0.00 C ATOM 718 C TRP A 59 -13.448 0.503 0.053 1.00 0.00 C ATOM 719 O TRP A 59 -14.332 -0.159 0.541 1.00 0.00 O ATOM 720 CB TRP A 59 -11.677 -0.791 -1.184 1.00 0.00 C ATOM 721 CG TRP A 59 -12.044 -1.827 -0.182 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.760 -2.938 -0.447 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.770 -1.835 1.243 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.948 -3.636 0.729 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.346 -2.999 1.802 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.076 -0.955 2.096 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.243 -3.280 3.165 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -10.973 -1.234 3.466 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.554 -2.394 3.999 1.00 0.00 C ATOM 0 H TRP A 59 -11.346 1.389 -2.143 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.659 -0.302 -1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.441 -1.252 -2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.788 -0.246 -0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.126 -3.233 -1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.466 -4.512 0.799 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.621 -0.062 1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.692 -4.174 3.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.443 -0.552 4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.469 -2.603 5.055 1.00 0.00 H new ATOM 740 N LYS A 60 -12.972 1.546 0.679 1.00 0.00 N ATOM 741 CA LYS A 60 -13.538 1.906 2.006 1.00 0.00 C ATOM 742 C LYS A 60 -14.976 2.336 1.780 1.00 0.00 C ATOM 743 O LYS A 60 -15.858 2.037 2.559 1.00 0.00 O ATOM 744 CB LYS A 60 -12.681 3.050 2.549 1.00 0.00 C ATOM 745 CG LYS A 60 -11.283 2.520 2.871 1.00 0.00 C ATOM 746 CD LYS A 60 -11.091 2.448 4.382 1.00 0.00 C ATOM 747 CE LYS A 60 -10.577 3.795 4.891 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.828 3.477 6.142 1.00 0.00 N ATOM 0 H LYS A 60 -12.229 2.154 0.335 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.531 1.083 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.618 3.854 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.139 3.471 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.149 1.532 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.527 3.170 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.034 2.198 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.384 1.658 4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.931 4.274 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.400 4.482 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.445 4.354 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.470 3.028 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.046 2.827 5.923 1.00 0.00 H new ATOM 762 N LYS A 61 -15.233 2.985 0.675 1.00 0.00 N ATOM 763 CA LYS A 61 -16.633 3.361 0.370 1.00 0.00 C ATOM 764 C LYS A 61 -17.390 2.048 0.182 1.00 0.00 C ATOM 765 O LYS A 61 -18.538 1.907 0.555 1.00 0.00 O ATOM 766 CB LYS A 61 -16.558 4.210 -0.918 1.00 0.00 C ATOM 767 CG LYS A 61 -17.093 3.439 -2.133 1.00 0.00 C ATOM 768 CD LYS A 61 -18.623 3.488 -2.140 1.00 0.00 C ATOM 769 CE LYS A 61 -19.148 2.748 -3.373 1.00 0.00 C ATOM 770 NZ LYS A 61 -20.506 2.270 -2.992 1.00 0.00 N ATOM 0 H LYS A 61 -14.540 3.266 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.144 3.939 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.134 5.126 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.525 4.506 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.701 3.873 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.752 2.404 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.017 3.031 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.965 4.523 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.191 3.408 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.497 1.915 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.928 1.753 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.433 1.638 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.106 3.085 -2.751 1.00 0.00 H new ATOM 784 N LEU A 62 -16.712 1.067 -0.364 1.00 0.00 N ATOM 785 CA LEU A 62 -17.341 -0.276 -0.549 1.00 0.00 C ATOM 786 C LEU A 62 -17.649 -0.882 0.825 1.00 0.00 C ATOM 787 O LEU A 62 -18.766 -0.841 1.301 1.00 0.00 O ATOM 788 CB LEU A 62 -16.271 -1.111 -1.254 1.00 0.00 C ATOM 789 CG LEU A 62 -16.682 -1.375 -2.695 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.781 -0.571 -3.633 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.540 -2.871 -2.996 1.00 0.00 C ATOM 0 H LEU A 62 -15.748 1.140 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.272 -0.233 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.315 -0.588 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.130 -2.056 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.719 -1.074 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.073 -0.758 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.883 0.492 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.744 -0.873 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.834 -3.064 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.503 -3.175 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.182 -3.440 -2.324 1.00 0.00 H new ATOM 803 N LYS A 63 -16.644 -1.433 1.457 1.00 0.00 N ATOM 804 CA LYS A 63 -16.807 -2.044 2.807 1.00 0.00 C ATOM 805 C LYS A 63 -17.849 -1.278 3.626 1.00 0.00 C ATOM 806 O LYS A 63 -18.777 -1.852 4.161 1.00 0.00 O ATOM 807 CB LYS A 63 -15.417 -1.899 3.432 1.00 0.00 C ATOM 808 CG LYS A 63 -15.310 -2.754 4.694 1.00 0.00 C ATOM 809 CD LYS A 63 -15.854 -1.973 5.892 1.00 0.00 C ATOM 810 CE LYS A 63 -15.242 -2.526 7.181 1.00 0.00 C ATOM 811 NZ LYS A 63 -16.396 -3.066 7.953 1.00 0.00 N ATOM 0 H LYS A 63 -15.696 -1.485 1.083 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.153 -3.077 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.655 -2.202 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.228 -0.854 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.870 -3.680 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.271 -3.032 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.616 -0.914 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.940 -2.053 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.510 -3.305 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.724 -1.746 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.057 -3.464 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.073 -2.300 8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.865 -3.811 7.400 1.00 0.00 H new ATOM 825 N LEU A 64 -17.705 0.014 3.726 1.00 0.00 N ATOM 826 CA LEU A 64 -18.692 0.815 4.507 1.00 0.00 C ATOM 827 C LEU A 64 -20.102 0.586 3.959 1.00 0.00 C ATOM 828 O LEU A 64 -21.024 0.291 4.695 1.00 0.00 O ATOM 829 CB LEU A 64 -18.264 2.269 4.311 1.00 0.00 C ATOM 830 CG LEU A 64 -16.895 2.489 4.957 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.299 3.808 4.460 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.055 2.544 6.479 1.00 0.00 C ATOM 0 H LEU A 64 -16.948 0.550 3.302 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.713 0.539 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.219 2.506 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.000 2.939 4.756 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.231 1.668 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.324 3.963 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.186 3.771 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.962 4.631 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.081 2.701 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.720 3.366 6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.479 1.605 6.834 1.00 0.00 H new ATOM 844 N ASP A 65 -20.278 0.712 2.672 1.00 0.00 N ATOM 845 CA ASP A 65 -21.629 0.492 2.082 1.00 0.00 C ATOM 846 C ASP A 65 -22.074 -0.953 2.324 1.00 0.00 C ATOM 847 O ASP A 65 -23.244 -1.273 2.260 1.00 0.00 O ATOM 848 CB ASP A 65 -21.458 0.760 0.585 1.00 0.00 C ATOM 849 CG ASP A 65 -22.219 2.031 0.202 1.00 0.00 C ATOM 850 OD1 ASP A 65 -21.952 3.061 0.801 1.00 0.00 O ATOM 851 OD2 ASP A 65 -23.053 1.954 -0.684 1.00 0.00 O ATOM 0 H ASP A 65 -19.546 0.957 2.005 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.387 1.139 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.401 0.870 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.830 -0.087 0.009 1.00 0.00 H new ATOM 856 N GLY A 66 -21.145 -1.828 2.606 1.00 0.00 N ATOM 857 CA GLY A 66 -21.508 -3.250 2.859 1.00 0.00 C ATOM 858 C GLY A 66 -21.217 -4.090 1.613 1.00 0.00 C ATOM 859 O GLY A 66 -21.966 -4.983 1.268 1.00 0.00 O ATOM 0 H GLY A 66 -20.149 -1.617 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.942 -3.634 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.564 -3.324 3.120 1.00 0.00 H new ATOM 863 N LEU A 67 -20.136 -3.814 0.931 1.00 0.00 N ATOM 864 CA LEU A 67 -19.811 -4.602 -0.292 1.00 0.00 C ATOM 865 C LEU A 67 -18.845 -5.740 0.041 1.00 0.00 C ATOM 866 O LEU A 67 -19.099 -6.889 -0.263 1.00 0.00 O ATOM 867 CB LEU A 67 -19.147 -3.607 -1.251 1.00 0.00 C ATOM 868 CG LEU A 67 -20.020 -2.345 -1.428 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.880 -1.831 -2.861 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.500 -2.657 -1.166 1.00 0.00 C ATOM 0 H LEU A 67 -19.468 -3.080 1.167 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.701 -5.058 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.167 -3.325 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.986 -4.081 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.683 -1.595 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.495 -0.940 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.837 -1.584 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.208 -2.602 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.092 -1.751 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.841 -3.418 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.620 -3.024 -0.146 1.00 0.00 H new ATOM 882 N ASP A 68 -17.738 -5.435 0.658 1.00 0.00 N ATOM 883 CA ASP A 68 -16.761 -6.506 0.999 1.00 0.00 C ATOM 884 C ASP A 68 -17.134 -7.163 2.333 1.00 0.00 C ATOM 885 O ASP A 68 -16.337 -7.225 3.248 1.00 0.00 O ATOM 886 CB ASP A 68 -15.414 -5.795 1.110 1.00 0.00 C ATOM 887 CG ASP A 68 -14.337 -6.799 1.526 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.041 -7.680 0.736 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.828 -6.670 2.628 1.00 0.00 O ATOM 0 H ASP A 68 -17.468 -4.493 0.940 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.743 -7.298 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.152 -5.340 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.476 -4.989 1.841 1.00 0.00 H new ATOM 894 N GLU A 69 -18.339 -7.653 2.453 1.00 0.00 N ATOM 895 CA GLU A 69 -18.756 -8.302 3.730 1.00 0.00 C ATOM 896 C GLU A 69 -17.975 -9.600 3.946 1.00 0.00 C ATOM 897 O GLU A 69 -18.046 -10.210 4.994 1.00 0.00 O ATOM 898 CB GLU A 69 -20.245 -8.601 3.555 1.00 0.00 C ATOM 899 CG GLU A 69 -21.045 -7.302 3.653 1.00 0.00 C ATOM 900 CD GLU A 69 -21.112 -6.852 5.114 1.00 0.00 C ATOM 901 OE1 GLU A 69 -20.560 -7.546 5.953 1.00 0.00 O ATOM 902 OE2 GLU A 69 -21.715 -5.823 5.369 1.00 0.00 O ATOM 0 H GLU A 69 -19.051 -7.632 1.723 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.564 -7.667 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.420 -9.075 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.577 -9.303 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.578 -6.528 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -22.051 -7.452 3.261 1.00 0.00 H new ATOM 909 N ASP A 70 -17.230 -10.028 2.965 1.00 0.00 N ATOM 910 CA ASP A 70 -16.449 -11.290 3.121 1.00 0.00 C ATOM 911 C ASP A 70 -14.951 -10.998 3.027 1.00 0.00 C ATOM 912 O ASP A 70 -14.155 -11.546 3.763 1.00 0.00 O ATOM 913 CB ASP A 70 -16.897 -12.179 1.960 1.00 0.00 C ATOM 914 CG ASP A 70 -16.057 -13.457 1.943 1.00 0.00 C ATOM 915 OD1 ASP A 70 -15.743 -13.949 3.015 1.00 0.00 O ATOM 916 OD2 ASP A 70 -15.743 -13.921 0.861 1.00 0.00 O ATOM 0 H ASP A 70 -17.127 -9.561 2.064 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.620 -11.765 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.953 -12.427 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.786 -11.646 1.016 1.00 0.00 H new ATOM 921 N GLY A 71 -14.562 -10.137 2.129 1.00 0.00 N ATOM 922 CA GLY A 71 -13.114 -9.810 1.993 1.00 0.00 C ATOM 923 C GLY A 71 -12.669 -10.015 0.543 1.00 0.00 C ATOM 924 O GLY A 71 -11.505 -10.230 0.270 1.00 0.00 O ATOM 0 H GLY A 71 -15.182 -9.646 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.935 -8.778 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.525 -10.443 2.657 1.00 0.00 H new ATOM 928 N GLU A 72 -13.579 -9.942 -0.390 1.00 0.00 N ATOM 929 CA GLU A 72 -13.196 -10.127 -1.819 1.00 0.00 C ATOM 930 C GLU A 72 -12.584 -8.834 -2.358 1.00 0.00 C ATOM 931 O GLU A 72 -11.432 -8.794 -2.742 1.00 0.00 O ATOM 932 CB GLU A 72 -14.500 -10.448 -2.545 1.00 0.00 C ATOM 933 CG GLU A 72 -14.219 -11.432 -3.682 1.00 0.00 C ATOM 934 CD GLU A 72 -15.538 -11.859 -4.327 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.534 -11.196 -4.090 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.530 -12.843 -5.049 1.00 0.00 O ATOM 0 H GLU A 72 -14.569 -9.763 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.457 -10.917 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.221 -10.876 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.943 -9.534 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.572 -10.968 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.690 -12.305 -3.299 1.00 0.00 H new ATOM 943 N LYS A 73 -13.340 -7.770 -2.378 1.00 0.00 N ATOM 944 CA LYS A 73 -12.789 -6.480 -2.877 1.00 0.00 C ATOM 945 C LYS A 73 -11.608 -6.066 -2.002 1.00 0.00 C ATOM 946 O LYS A 73 -10.582 -5.631 -2.484 1.00 0.00 O ATOM 947 CB LYS A 73 -13.937 -5.477 -2.748 1.00 0.00 C ATOM 948 CG LYS A 73 -15.183 -6.033 -3.442 1.00 0.00 C ATOM 949 CD LYS A 73 -15.367 -5.341 -4.793 1.00 0.00 C ATOM 950 CE LYS A 73 -14.730 -6.192 -5.894 1.00 0.00 C ATOM 951 NZ LYS A 73 -15.824 -6.436 -6.873 1.00 0.00 N ATOM 0 H LYS A 73 -14.312 -7.739 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.430 -6.542 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.149 -5.285 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.653 -4.524 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.084 -7.109 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.062 -5.873 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.428 -5.197 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.909 -4.352 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.892 -5.673 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.342 -7.129 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.464 -7.014 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.605 -6.938 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.169 -5.527 -7.242 1.00 0.00 H new ATOM 965 N GLU A 74 -11.745 -6.215 -0.712 1.00 0.00 N ATOM 966 CA GLU A 74 -10.628 -5.850 0.200 1.00 0.00 C ATOM 967 C GLU A 74 -9.440 -6.777 -0.058 1.00 0.00 C ATOM 968 O GLU A 74 -8.308 -6.454 0.241 1.00 0.00 O ATOM 969 CB GLU A 74 -11.184 -6.061 1.610 1.00 0.00 C ATOM 970 CG GLU A 74 -10.047 -5.976 2.629 1.00 0.00 C ATOM 971 CD GLU A 74 -10.624 -6.040 4.044 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.809 -6.307 4.166 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.874 -5.821 4.980 1.00 0.00 O ATOM 0 H GLU A 74 -12.582 -6.574 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.280 -4.827 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.940 -5.307 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.674 -7.033 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.344 -6.794 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.491 -5.048 2.493 1.00 0.00 H new ATOM 980 N ALA A 75 -9.693 -7.928 -0.623 1.00 0.00 N ATOM 981 CA ALA A 75 -8.580 -8.875 -0.913 1.00 0.00 C ATOM 982 C ALA A 75 -7.608 -8.239 -1.906 1.00 0.00 C ATOM 983 O ALA A 75 -6.404 -8.335 -1.761 1.00 0.00 O ATOM 984 CB ALA A 75 -9.250 -10.104 -1.531 1.00 0.00 C ATOM 0 H ALA A 75 -10.621 -8.252 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.010 -9.133 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.492 -10.849 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.961 -10.527 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.776 -9.813 -2.441 1.00 0.00 H new ATOM 990 N ARG A 76 -8.119 -7.578 -2.910 1.00 0.00 N ATOM 991 CA ARG A 76 -7.216 -6.929 -3.901 1.00 0.00 C ATOM 992 C ARG A 76 -6.273 -5.968 -3.179 1.00 0.00 C ATOM 993 O ARG A 76 -5.131 -5.797 -3.558 1.00 0.00 O ATOM 994 CB ARG A 76 -8.139 -6.167 -4.852 1.00 0.00 C ATOM 995 CG ARG A 76 -7.387 -5.867 -6.151 1.00 0.00 C ATOM 996 CD ARG A 76 -8.092 -4.739 -6.908 1.00 0.00 C ATOM 997 NE ARG A 76 -8.412 -5.319 -8.242 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.455 -4.902 -8.906 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.914 -3.696 -8.710 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.040 -5.690 -9.764 1.00 0.00 N ATOM 0 H ARG A 76 -9.117 -7.460 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.599 -7.649 -4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.031 -6.757 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.473 -5.239 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.359 -5.582 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.343 -6.762 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.995 -4.418 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.450 -3.863 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.814 -6.044 -8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.457 -3.080 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.729 -3.370 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.682 -6.633 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.855 -5.364 -10.283 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.742 -5.346 -2.131 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.871 -4.405 -1.375 1.00 0.00 C ATOM 1016 C LEU A 77 -4.796 -5.194 -0.628 1.00 0.00 C ATOM 1017 O LEU A 77 -3.652 -4.793 -0.546 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.799 -3.695 -0.383 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.780 -2.800 -1.143 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.844 -2.269 -0.181 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.045 -1.617 -1.769 1.00 0.00 C ATOM 0 H LEU A 77 -7.689 -5.449 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.365 -3.693 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.346 -4.430 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.212 -3.097 0.315 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.249 -3.390 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.541 -1.632 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.386 -3.106 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.364 -1.690 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.756 -0.990 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.564 -1.031 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.289 -1.984 -2.463 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.163 -6.322 -0.087 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.176 -7.155 0.657 1.00 0.00 C ATOM 1035 C ILE A 78 -3.066 -7.628 -0.289 1.00 0.00 C ATOM 1036 O ILE A 78 -1.901 -7.641 0.061 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.982 -8.348 1.176 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.090 -7.850 2.110 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.058 -9.295 1.946 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.988 -9.022 2.512 1.00 0.00 C ATOM 0 H ILE A 78 -6.108 -6.705 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.693 -6.605 1.465 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.426 -8.878 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.653 -7.393 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.680 -7.080 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.633 -10.144 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.269 -9.651 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.613 -8.765 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.775 -8.666 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.436 -9.460 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.393 -9.777 3.027 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.420 -8.020 -1.484 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.384 -8.494 -2.448 1.00 0.00 C ATOM 1054 C ARG A 79 -1.539 -7.323 -2.947 1.00 0.00 C ATOM 1055 O ARG A 79 -0.335 -7.410 -2.996 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.166 -9.125 -3.599 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.245 -10.637 -3.391 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.411 -11.329 -4.745 1.00 0.00 C ATOM 1059 NE ARG A 79 -3.745 -12.741 -4.412 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.791 -13.641 -5.356 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -2.716 -13.928 -6.038 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -4.914 -14.254 -5.616 1.00 0.00 N ATOM 0 H ARG A 79 -4.378 -8.033 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.694 -9.203 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.169 -8.701 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.680 -8.902 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.342 -10.995 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.084 -10.882 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.202 -10.863 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.497 -11.267 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.938 -13.005 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.839 -13.449 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.753 -14.632 -6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.753 -14.029 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.952 -14.958 -6.353 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.146 -6.226 -3.313 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.330 -5.067 -3.786 1.00 0.00 C ATOM 1078 C ASN A 80 -0.331 -4.694 -2.691 1.00 0.00 C ATOM 1079 O ASN A 80 0.849 -4.503 -2.937 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.330 -3.934 -4.011 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.767 -3.914 -5.475 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.877 -4.948 -6.104 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.023 -2.771 -6.048 1.00 0.00 N ATOM 0 H ASN A 80 -3.156 -6.081 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.769 -5.283 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.197 -4.068 -3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.878 -2.979 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.316 -2.744 -7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.930 -1.904 -5.519 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.792 -4.611 -1.476 1.00 0.00 N ATOM 1091 CA LEU A 81 0.132 -4.278 -0.364 1.00 0.00 C ATOM 1092 C LEU A 81 1.249 -5.317 -0.327 1.00 0.00 C ATOM 1093 O LEU A 81 2.392 -5.014 -0.559 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.719 -4.353 0.905 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.619 -3.030 1.665 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.852 -2.643 1.826 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.351 -1.938 0.881 1.00 0.00 C ATOM 0 H LEU A 81 -1.765 -4.759 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 81 0.592 -3.296 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.758 -4.559 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.378 -5.174 1.536 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.074 -3.140 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.923 -1.700 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.374 -3.421 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.309 -2.532 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.281 -0.994 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.895 -1.828 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.399 -2.213 0.766 1.00 0.00 H new ATOM 1109 N ASN A 82 0.914 -6.547 -0.057 1.00 0.00 N ATOM 1110 CA ASN A 82 1.949 -7.621 -0.015 1.00 0.00 C ATOM 1111 C ASN A 82 2.896 -7.510 -1.217 1.00 0.00 C ATOM 1112 O ASN A 82 4.070 -7.819 -1.128 1.00 0.00 O ATOM 1113 CB ASN A 82 1.146 -8.919 -0.082 1.00 0.00 C ATOM 1114 CG ASN A 82 0.982 -9.494 1.324 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.947 -9.652 2.046 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.210 -9.815 1.748 1.00 0.00 N ATOM 0 H ASN A 82 -0.038 -6.858 0.138 1.00 0.00 H new ATOM 0 HA ASN A 82 2.575 -7.561 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.168 -8.731 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.653 -9.640 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.332 -10.198 2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.020 -9.682 1.142 1.00 0.00 H new ATOM 1123 N VAL A 83 2.396 -7.069 -2.335 1.00 0.00 N ATOM 1124 CA VAL A 83 3.259 -6.934 -3.542 1.00 0.00 C ATOM 1125 C VAL A 83 4.291 -5.834 -3.303 1.00 0.00 C ATOM 1126 O VAL A 83 5.467 -6.001 -3.562 1.00 0.00 O ATOM 1127 CB VAL A 83 2.291 -6.569 -4.673 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.043 -5.878 -5.811 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.631 -7.843 -5.203 1.00 0.00 C ATOM 0 H VAL A 83 1.422 -6.795 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 83 3.817 -7.839 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 83 1.532 -5.890 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.344 -5.624 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.513 -4.968 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.809 -6.548 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.942 -7.588 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.397 -8.519 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.083 -8.331 -4.397 1.00 0.00 H new ATOM 1139 N ILE A 84 3.863 -4.719 -2.785 1.00 0.00 N ATOM 1140 CA ILE A 84 4.821 -3.615 -2.500 1.00 0.00 C ATOM 1141 C ILE A 84 5.769 -4.066 -1.389 1.00 0.00 C ATOM 1142 O ILE A 84 6.972 -3.985 -1.513 1.00 0.00 O ATOM 1143 CB ILE A 84 3.929 -2.459 -2.051 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.056 -2.036 -3.230 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.780 -1.270 -1.594 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.805 -1.334 -2.710 1.00 0.00 C ATOM 0 H ILE A 84 2.891 -4.523 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 84 5.442 -3.329 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 84 3.310 -2.782 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.613 -1.369 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.777 -2.908 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.128 -0.456 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.412 -1.574 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.407 -0.933 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.181 -1.032 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.245 -2.015 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.094 -0.453 -2.137 1.00 0.00 H new ATOM 1158 N LEU A 85 5.232 -4.575 -0.318 1.00 0.00 N ATOM 1159 CA LEU A 85 6.086 -5.071 0.791 1.00 0.00 C ATOM 1160 C LEU A 85 7.019 -6.139 0.235 1.00 0.00 C ATOM 1161 O LEU A 85 8.086 -6.389 0.755 1.00 0.00 O ATOM 1162 CB LEU A 85 5.117 -5.703 1.790 1.00 0.00 C ATOM 1163 CG LEU A 85 4.436 -4.625 2.633 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.436 -4.041 3.629 1.00 0.00 C ATOM 1165 CD2 LEU A 85 3.905 -3.509 1.732 1.00 0.00 C ATOM 0 H LEU A 85 4.228 -4.669 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 85 6.686 -4.286 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.365 -6.285 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.655 -6.394 2.439 1.00 0.00 H new ATOM 0 HG LEU A 85 3.603 -5.075 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.947 -3.273 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.803 -4.832 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.273 -3.600 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.422 -2.747 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.732 -3.062 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.182 -3.922 1.029 1.00 0.00 H new ATOM 1177 N ALA A 86 6.605 -6.776 -0.827 1.00 0.00 N ATOM 1178 CA ALA A 86 7.450 -7.839 -1.442 1.00 0.00 C ATOM 1179 C ALA A 86 8.512 -7.210 -2.349 1.00 0.00 C ATOM 1180 O ALA A 86 9.587 -7.747 -2.527 1.00 0.00 O ATOM 1181 CB ALA A 86 6.478 -8.688 -2.264 1.00 0.00 C ATOM 0 H ALA A 86 5.716 -6.605 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 86 7.980 -8.431 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.023 -9.496 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.717 -9.108 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.001 -8.065 -3.020 1.00 0.00 H new ATOM 1187 N LYS A 87 8.218 -6.074 -2.923 1.00 0.00 N ATOM 1188 CA LYS A 87 9.207 -5.406 -3.817 1.00 0.00 C ATOM 1189 C LYS A 87 10.098 -4.469 -3.008 1.00 0.00 C ATOM 1190 O LYS A 87 11.089 -3.959 -3.492 1.00 0.00 O ATOM 1191 CB LYS A 87 8.364 -4.588 -4.787 1.00 0.00 C ATOM 1192 CG LYS A 87 9.266 -4.018 -5.879 1.00 0.00 C ATOM 1193 CD LYS A 87 8.427 -3.226 -6.880 1.00 0.00 C ATOM 1194 CE LYS A 87 8.565 -3.852 -8.270 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.362 -3.400 -9.021 1.00 0.00 N ATOM 0 H LYS A 87 7.333 -5.579 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 87 9.853 -6.125 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.588 -5.213 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.859 -3.780 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.026 -3.374 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.791 -4.826 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.381 -3.224 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.755 -2.187 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.482 -3.525 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.607 -4.940 -8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.387 -3.790 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.504 -3.732 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.353 -2.361 -9.069 1.00 0.00 H new ATOM 1209 N TYR A 88 9.734 -4.221 -1.787 1.00 0.00 N ATOM 1210 CA TYR A 88 10.532 -3.299 -0.939 1.00 0.00 C ATOM 1211 C TYR A 88 10.719 -3.893 0.452 1.00 0.00 C ATOM 1212 O TYR A 88 11.281 -3.271 1.331 1.00 0.00 O ATOM 1213 CB TYR A 88 9.683 -2.033 -0.852 1.00 0.00 C ATOM 1214 CG TYR A 88 9.186 -1.657 -2.221 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.101 -1.294 -3.207 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.816 -1.666 -2.502 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.655 -0.938 -4.481 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.362 -1.313 -3.777 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.281 -0.948 -4.769 1.00 0.00 C ATOM 1220 OH TYR A 88 7.835 -0.592 -6.025 1.00 0.00 O ATOM 0 H TYR A 88 8.911 -4.620 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 88 11.526 -3.113 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.840 -2.195 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.272 -1.217 -0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.158 -1.288 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.109 -1.945 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.366 -0.655 -5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.305 -1.322 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 88 6.902 -0.872 -6.132 1.00 0.00 H new ATOM 1230 N GLY A 89 10.237 -5.084 0.665 1.00 0.00 N ATOM 1231 CA GLY A 89 10.373 -5.701 2.011 1.00 0.00 C ATOM 1232 C GLY A 89 10.014 -4.652 3.064 1.00 0.00 C ATOM 1233 O GLY A 89 10.671 -4.524 4.078 1.00 0.00 O ATOM 0 H GLY A 89 9.757 -5.654 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.716 -6.566 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.392 -6.057 2.163 1.00 0.00 H new ATOM 1237 N LEU A 90 8.976 -3.893 2.826 1.00 0.00 N ATOM 1238 CA LEU A 90 8.579 -2.845 3.807 1.00 0.00 C ATOM 1239 C LEU A 90 7.938 -3.500 5.036 1.00 0.00 C ATOM 1240 O LEU A 90 7.638 -2.848 6.014 1.00 0.00 O ATOM 1241 CB LEU A 90 7.564 -1.971 3.065 1.00 0.00 C ATOM 1242 CG LEU A 90 8.295 -0.915 2.219 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.418 -0.521 1.027 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.569 0.321 3.078 1.00 0.00 C ATOM 0 H LEU A 90 8.388 -3.955 1.995 1.00 0.00 H new ATOM 0 HA LEU A 90 9.428 -2.261 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.938 -2.592 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.903 -1.481 3.780 1.00 0.00 H new ATOM 0 HG LEU A 90 9.238 -1.326 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.935 0.227 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.218 -1.401 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.476 -0.108 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.087 1.071 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.625 0.731 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.190 0.042 3.929 1.00 0.00 H new ATOM 1256 N ASP A 91 7.728 -4.787 4.990 1.00 0.00 N ATOM 1257 CA ASP A 91 7.112 -5.484 6.153 1.00 0.00 C ATOM 1258 C ASP A 91 8.176 -6.299 6.887 1.00 0.00 C ATOM 1259 O ASP A 91 8.148 -6.435 8.094 1.00 0.00 O ATOM 1260 CB ASP A 91 6.051 -6.403 5.545 1.00 0.00 C ATOM 1261 CG ASP A 91 4.717 -6.193 6.263 1.00 0.00 C ATOM 1262 OD1 ASP A 91 4.597 -5.208 6.971 1.00 0.00 O ATOM 1263 OD2 ASP A 91 3.839 -7.024 6.092 1.00 0.00 O ATOM 0 H ASP A 91 7.957 -5.386 4.197 1.00 0.00 H new ATOM 0 HA ASP A 91 6.680 -4.793 6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.940 -6.193 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.363 -7.444 5.633 1.00 0.00 H new ATOM 1268 N GLY A 92 9.119 -6.839 6.164 1.00 0.00 N ATOM 1269 CA GLY A 92 10.190 -7.642 6.814 1.00 0.00 C ATOM 1270 C GLY A 92 10.221 -9.046 6.207 1.00 0.00 C ATOM 1271 O GLY A 92 9.960 -10.027 6.875 1.00 0.00 O ATOM 0 H GLY A 92 9.193 -6.758 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.156 -7.155 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.011 -7.703 7.888 1.00 0.00 H new ATOM 1275 N LYS A 93 10.539 -9.151 4.945 1.00 0.00 N ATOM 1276 CA LYS A 93 10.588 -10.493 4.297 1.00 0.00 C ATOM 1277 C LYS A 93 11.964 -10.726 3.667 1.00 0.00 C ATOM 1278 O LYS A 93 12.399 -9.982 2.812 1.00 0.00 O ATOM 1279 CB LYS A 93 9.506 -10.452 3.218 1.00 0.00 C ATOM 1280 CG LYS A 93 8.877 -11.839 3.074 1.00 0.00 C ATOM 1281 CD LYS A 93 7.426 -11.791 3.555 1.00 0.00 C ATOM 1282 CE LYS A 93 7.183 -12.921 4.556 1.00 0.00 C ATOM 1283 NZ LYS A 93 7.405 -12.304 5.894 1.00 0.00 N ATOM 0 H LYS A 93 10.767 -8.366 4.335 1.00 0.00 H new ATOM 0 HA LYS A 93 10.423 -11.301 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.742 -9.720 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.937 -10.136 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.916 -12.162 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.441 -12.568 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.218 -10.828 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.747 -11.889 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.171 -13.317 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.867 -13.753 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.256 -13.019 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.378 -11.942 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.735 -11.520 6.030 1.00 0.00 H new ATOM 1297 N LYS A 94 12.652 -11.752 4.085 1.00 0.00 N ATOM 1298 CA LYS A 94 14.000 -12.026 3.509 1.00 0.00 C ATOM 1299 C LYS A 94 14.489 -13.409 3.945 1.00 0.00 C ATOM 1300 O LYS A 94 15.664 -13.620 4.172 1.00 0.00 O ATOM 1301 CB LYS A 94 14.904 -10.932 4.079 1.00 0.00 C ATOM 1302 CG LYS A 94 14.724 -10.861 5.598 1.00 0.00 C ATOM 1303 CD LYS A 94 15.279 -9.532 6.115 1.00 0.00 C ATOM 1304 CE LYS A 94 14.223 -8.437 5.946 1.00 0.00 C ATOM 1305 NZ LYS A 94 14.823 -7.222 6.565 1.00 0.00 N ATOM 0 H LYS A 94 12.341 -12.411 4.798 1.00 0.00 H new ATOM 0 HA LYS A 94 13.993 -12.021 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.945 -11.142 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.658 -9.971 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.668 -10.951 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.240 -11.694 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.556 -9.625 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.184 -9.267 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.992 -8.271 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.289 -8.710 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.156 -6.428 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.026 -7.407 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.707 -6.982 6.072 1.00 0.00 H new ATOM 1319 N ASP A 95 13.596 -14.353 4.066 1.00 0.00 N ATOM 1320 CA ASP A 95 14.011 -15.722 4.489 1.00 0.00 C ATOM 1321 C ASP A 95 14.178 -16.629 3.266 1.00 0.00 C ATOM 1322 O ASP A 95 15.004 -17.520 3.251 1.00 0.00 O ATOM 1323 CB ASP A 95 12.872 -16.224 5.376 1.00 0.00 C ATOM 1324 CG ASP A 95 13.407 -16.517 6.779 1.00 0.00 C ATOM 1325 OD1 ASP A 95 14.405 -15.920 7.148 1.00 0.00 O ATOM 1326 OD2 ASP A 95 12.809 -17.331 7.463 1.00 0.00 O ATOM 0 H ASP A 95 12.598 -14.236 3.891 1.00 0.00 H new ATOM 0 HA ASP A 95 14.967 -15.719 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.080 -15.477 5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.433 -17.125 4.947 1.00 0.00 H new ATOM 1331 N ALA A 96 13.400 -16.409 2.241 1.00 0.00 N ATOM 1332 CA ALA A 96 13.517 -17.262 1.022 1.00 0.00 C ATOM 1333 C ALA A 96 14.875 -17.039 0.351 1.00 0.00 C ATOM 1334 O ALA A 96 15.255 -17.754 -0.556 1.00 0.00 O ATOM 1335 CB ALA A 96 12.385 -16.801 0.104 1.00 0.00 C ATOM 0 H ALA A 96 12.690 -15.678 2.194 1.00 0.00 H new ATOM 0 HA ALA A 96 13.446 -18.325 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.404 -17.383 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.428 -16.946 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.515 -15.745 -0.131 1.00 0.00 H new ATOM 1341 N ARG A 97 15.608 -16.053 0.790 1.00 0.00 N ATOM 1342 CA ARG A 97 16.940 -15.785 0.177 1.00 0.00 C ATOM 1343 C ARG A 97 17.989 -15.568 1.269 1.00 0.00 C ATOM 1344 O ARG A 97 19.162 -15.526 0.935 1.00 0.00 O ATOM 1345 CB ARG A 97 16.747 -14.508 -0.643 1.00 0.00 C ATOM 1346 CG ARG A 97 16.563 -14.870 -2.118 1.00 0.00 C ATOM 1347 CD ARG A 97 17.053 -13.715 -2.995 1.00 0.00 C ATOM 1348 NE ARG A 97 15.895 -13.382 -3.867 1.00 0.00 N ATOM 1349 CZ ARG A 97 15.010 -12.509 -3.470 1.00 0.00 C ATOM 1350 NH1 ARG A 97 15.363 -11.268 -3.269 1.00 0.00 N ATOM 1351 NH2 ARG A 97 13.773 -12.875 -3.275 1.00 0.00 N ATOM 1352 OXT ARG A 97 17.603 -15.453 2.420 1.00 0.00 O ATOM 0 H ARG A 97 15.343 -15.422 1.546 1.00 0.00 H new ATOM 0 HA ARG A 97 17.288 -16.616 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.877 -13.959 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.610 -13.853 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.118 -15.778 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.513 -15.076 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.352 -12.859 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.921 -14.007 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 97 15.793 -13.836 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.330 -10.982 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.672 -10.585 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.497 -13.844 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.082 -12.192 -2.965 1.00 0.00 H new TER 1366 ARG A 97