USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=9 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+ -170:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -156:sc= 0.398 (180deg=0.168) USER MOD Single : A 22 MET CE :methyl -143:sc= -5.42! (180deg=-10.5!) USER MOD Single : A 26 ASN : amide:sc= -1.64! C(o=-1.6!,f=-7.6!) USER MOD Single : A 27 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.8) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.539 (180deg=-0.733) USER MOD Single : A 33 GLN : amide:sc= -2.5! K(o=-2.5!,f=-1.2) USER MOD Single : A 36 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-4.4!) USER MOD Single : A 46 HIS : no HE2:sc= -2.03 X(o=-2,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= -0.164 (180deg=-0.765) USER MOD Single : A 52 GLN : amide:sc= -10.4! C(o=-10!,f=-7.9!) USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= -0.0642 (180deg=-0.635) 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= -1.05 K(o=-1.1,f=0.05) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 173:sc= -3.45! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0387) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -0.924 17.537 -0.863 1.00 0.00 N ATOM 2 CA GLY A 17 -0.013 17.665 0.309 1.00 0.00 C ATOM 3 C GLY A 17 0.732 16.346 0.527 1.00 0.00 C ATOM 4 O GLY A 17 1.570 15.958 -0.262 1.00 0.00 O ATOM 0 HA2 GLY A 17 0.699 18.473 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.585 17.923 1.200 1.00 0.00 H new ATOM 10 N GLU A 18 0.434 15.657 1.594 1.00 0.00 N ATOM 11 CA GLU A 18 1.128 14.365 1.866 1.00 0.00 C ATOM 12 C GLU A 18 0.925 13.392 0.711 1.00 0.00 C ATOM 13 O GLU A 18 -0.160 13.246 0.182 1.00 0.00 O ATOM 14 CB GLU A 18 0.486 13.826 3.144 1.00 0.00 C ATOM 15 CG GLU A 18 0.702 14.828 4.279 1.00 0.00 C ATOM 16 CD GLU A 18 2.020 14.519 4.991 1.00 0.00 C ATOM 17 OE1 GLU A 18 3.039 14.478 4.321 1.00 0.00 O ATOM 18 OE2 GLU A 18 1.989 14.327 6.196 1.00 0.00 O ATOM 0 H GLU A 18 -0.260 15.932 2.289 1.00 0.00 H new ATOM 0 HA GLU A 18 2.204 14.497 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.580 13.661 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.923 12.862 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.720 15.843 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.126 14.776 4.986 1.00 0.00 H new ATOM 25 N GLU A 19 1.972 12.731 0.318 1.00 0.00 N ATOM 26 CA GLU A 19 1.877 11.760 -0.805 1.00 0.00 C ATOM 27 C GLU A 19 0.571 10.959 -0.731 1.00 0.00 C ATOM 28 O GLU A 19 -0.048 10.679 -1.738 1.00 0.00 O ATOM 29 CB GLU A 19 3.101 10.849 -0.648 1.00 0.00 C ATOM 30 CG GLU A 19 3.369 10.559 0.832 1.00 0.00 C ATOM 31 CD GLU A 19 4.547 11.407 1.313 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.280 11.902 0.472 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.698 11.549 2.516 1.00 0.00 O ATOM 0 H GLU A 19 2.901 12.822 0.730 1.00 0.00 H new ATOM 0 HA GLU A 19 1.866 12.257 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.937 9.914 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.974 11.323 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.481 10.782 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.588 9.500 0.972 1.00 0.00 H new ATOM 40 N PHE A 20 0.145 10.585 0.444 1.00 0.00 N ATOM 41 CA PHE A 20 -1.120 9.800 0.558 1.00 0.00 C ATOM 42 C PHE A 20 -2.087 10.466 1.546 1.00 0.00 C ATOM 43 O PHE A 20 -1.698 11.292 2.349 1.00 0.00 O ATOM 44 CB PHE A 20 -0.659 8.431 1.046 1.00 0.00 C ATOM 45 CG PHE A 20 0.332 7.895 0.041 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.125 7.230 -1.103 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.709 8.088 0.236 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.789 6.759 -2.049 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.621 7.613 -0.711 1.00 0.00 C ATOM 50 CZ PHE A 20 2.162 6.949 -1.853 1.00 0.00 C ATOM 0 H PHE A 20 0.614 10.787 1.327 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.670 9.735 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.199 8.511 2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.508 7.754 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.184 7.081 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.063 8.603 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.436 6.248 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.680 7.759 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.867 6.583 -2.584 1.00 0.00 H new ATOM 60 N ARG A 21 -3.352 10.126 1.479 1.00 0.00 N ATOM 61 CA ARG A 21 -4.346 10.759 2.400 1.00 0.00 C ATOM 62 C ARG A 21 -4.333 10.082 3.769 1.00 0.00 C ATOM 63 O ARG A 21 -4.200 10.725 4.791 1.00 0.00 O ATOM 64 CB ARG A 21 -5.708 10.546 1.741 1.00 0.00 C ATOM 65 CG ARG A 21 -5.808 11.398 0.479 1.00 0.00 C ATOM 66 CD ARG A 21 -5.286 10.588 -0.701 1.00 0.00 C ATOM 67 NE ARG A 21 -5.942 11.182 -1.899 1.00 0.00 N ATOM 68 CZ ARG A 21 -7.010 10.623 -2.404 1.00 0.00 C ATOM 69 NH1 ARG A 21 -8.136 10.652 -1.745 1.00 0.00 N ATOM 70 NH2 ARG A 21 -6.951 10.033 -3.567 1.00 0.00 N ATOM 0 H ARG A 21 -3.737 9.441 0.829 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.117 11.813 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.842 9.493 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.505 10.813 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.842 11.695 0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.228 12.314 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.200 10.652 -0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.537 9.532 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.558 12.025 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.183 11.111 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.969 10.216 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.071 10.008 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.785 9.597 -3.961 1.00 0.00 H new ATOM 84 N MET A 22 -4.484 8.788 3.798 1.00 0.00 N ATOM 85 CA MET A 22 -4.500 8.071 5.101 1.00 0.00 C ATOM 86 C MET A 22 -3.077 7.878 5.613 1.00 0.00 C ATOM 87 O MET A 22 -2.181 7.523 4.872 1.00 0.00 O ATOM 88 CB MET A 22 -5.148 6.718 4.809 1.00 0.00 C ATOM 89 CG MET A 22 -6.387 6.922 3.937 1.00 0.00 C ATOM 90 SD MET A 22 -7.370 5.403 3.927 1.00 0.00 S ATOM 91 CE MET A 22 -7.211 5.037 2.162 1.00 0.00 C ATOM 0 H MET A 22 -4.597 8.196 2.975 1.00 0.00 H new ATOM 0 HA MET A 22 -5.044 8.625 5.866 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.438 6.065 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.424 6.226 5.742 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.982 7.751 4.320 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.091 7.184 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.148 4.621 1.791 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.981 5.954 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.408 4.315 2.011 1.00 0.00 H new ATOM 101 N GLU A 23 -2.861 8.107 6.876 1.00 0.00 N ATOM 102 CA GLU A 23 -1.497 7.931 7.433 1.00 0.00 C ATOM 103 C GLU A 23 -0.957 6.549 7.058 1.00 0.00 C ATOM 104 O GLU A 23 0.192 6.399 6.718 1.00 0.00 O ATOM 105 CB GLU A 23 -1.667 8.056 8.948 1.00 0.00 C ATOM 106 CG GLU A 23 -0.303 7.925 9.626 1.00 0.00 C ATOM 107 CD GLU A 23 0.030 9.227 10.357 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.830 9.723 11.066 1.00 0.00 O ATOM 109 OE2 GLU A 23 1.140 9.706 10.196 1.00 0.00 O ATOM 0 H GLU A 23 -3.570 8.408 7.545 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.790 8.665 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.118 9.017 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.343 7.283 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.313 7.093 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.464 7.706 8.884 1.00 0.00 H new ATOM 116 N LYS A 24 -1.775 5.537 7.105 1.00 0.00 N ATOM 117 CA LYS A 24 -1.282 4.179 6.739 1.00 0.00 C ATOM 118 C LYS A 24 -0.429 4.245 5.466 1.00 0.00 C ATOM 119 O LYS A 24 0.702 3.791 5.441 1.00 0.00 O ATOM 120 CB LYS A 24 -2.537 3.333 6.506 1.00 0.00 C ATOM 121 CG LYS A 24 -3.531 4.090 5.620 1.00 0.00 C ATOM 122 CD LYS A 24 -4.947 3.898 6.169 1.00 0.00 C ATOM 123 CE LYS A 24 -5.263 2.403 6.255 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.748 2.328 6.328 1.00 0.00 N ATOM 0 H LYS A 24 -2.756 5.588 7.379 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.652 3.753 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.265 2.389 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.003 3.090 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.279 5.150 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.473 3.724 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.031 4.356 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.670 4.397 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.883 1.868 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.801 1.952 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.036 1.355 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.092 2.975 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.155 2.601 5.411 1.00 0.00 H new ATOM 138 N LEU A 25 -0.946 4.818 4.410 1.00 0.00 N ATOM 139 CA LEU A 25 -0.145 4.908 3.161 1.00 0.00 C ATOM 140 C LEU A 25 1.073 5.786 3.411 1.00 0.00 C ATOM 141 O LEU A 25 2.190 5.389 3.165 1.00 0.00 O ATOM 142 CB LEU A 25 -1.064 5.546 2.116 1.00 0.00 C ATOM 143 CG LEU A 25 -2.215 4.598 1.751 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.717 4.942 0.351 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.743 3.140 1.761 1.00 0.00 C ATOM 0 H LEU A 25 -1.881 5.223 4.362 1.00 0.00 H new ATOM 0 HA LEU A 25 0.209 3.933 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.467 6.482 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.491 5.791 1.222 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.011 4.717 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.535 4.273 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.071 5.973 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.904 4.826 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.575 2.486 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.940 3.013 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.378 2.883 2.755 1.00 0.00 H new ATOM 157 N ASN A 26 0.873 6.969 3.923 1.00 0.00 N ATOM 158 CA ASN A 26 2.044 7.842 4.210 1.00 0.00 C ATOM 159 C ASN A 26 3.095 7.001 4.933 1.00 0.00 C ATOM 160 O ASN A 26 4.084 6.598 4.353 1.00 0.00 O ATOM 161 CB ASN A 26 1.510 8.949 5.121 1.00 0.00 C ATOM 162 CG ASN A 26 0.948 10.088 4.268 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.494 10.416 3.234 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.131 10.709 4.662 1.00 0.00 N ATOM 0 H ASN A 26 -0.039 7.365 4.152 1.00 0.00 H new ATOM 0 HA ASN A 26 2.502 8.264 3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.733 8.553 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.308 9.322 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.515 11.470 4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.590 10.434 5.530 1.00 0.00 H new ATOM 171 N GLN A 27 2.859 6.719 6.189 1.00 0.00 N ATOM 172 CA GLN A 27 3.798 5.878 6.987 1.00 0.00 C ATOM 173 C GLN A 27 4.456 4.818 6.102 1.00 0.00 C ATOM 174 O GLN A 27 5.651 4.627 6.149 1.00 0.00 O ATOM 175 CB GLN A 27 2.920 5.219 8.050 1.00 0.00 C ATOM 176 CG GLN A 27 2.688 6.204 9.199 1.00 0.00 C ATOM 177 CD GLN A 27 1.778 5.563 10.249 1.00 0.00 C ATOM 178 OE1 GLN A 27 0.791 4.937 9.914 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.068 5.694 11.514 1.00 0.00 N ATOM 0 H GLN A 27 2.040 7.043 6.703 1.00 0.00 H new ATOM 0 HA GLN A 27 4.607 6.464 7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.967 4.919 7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.399 4.314 8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.640 6.483 9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.234 7.120 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.896 6.219 11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.467 5.271 12.221 1.00 0.00 H new ATOM 188 N LEU A 28 3.696 4.132 5.289 1.00 0.00 N ATOM 189 CA LEU A 28 4.318 3.102 4.403 1.00 0.00 C ATOM 190 C LEU A 28 5.370 3.761 3.516 1.00 0.00 C ATOM 191 O LEU A 28 6.556 3.565 3.678 1.00 0.00 O ATOM 192 CB LEU A 28 3.174 2.554 3.536 1.00 0.00 C ATOM 193 CG LEU A 28 3.030 1.049 3.758 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.394 0.791 5.124 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.142 0.462 2.659 1.00 0.00 C ATOM 0 H LEU A 28 2.685 4.237 5.200 1.00 0.00 H new ATOM 0 HA LEU A 28 4.805 2.312 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.241 3.059 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.373 2.758 2.484 1.00 0.00 H new ATOM 0 HG LEU A 28 4.012 0.578 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.292 -0.283 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.026 1.213 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.410 1.258 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.036 -0.612 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.160 0.933 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.597 0.646 1.686 1.00 0.00 H new ATOM 207 N TRP A 29 4.925 4.544 2.582 1.00 0.00 N ATOM 208 CA TRP A 29 5.850 5.248 1.658 1.00 0.00 C ATOM 209 C TRP A 29 7.077 5.797 2.407 1.00 0.00 C ATOM 210 O TRP A 29 8.210 5.422 2.134 1.00 0.00 O ATOM 211 CB TRP A 29 4.978 6.372 1.111 1.00 0.00 C ATOM 212 CG TRP A 29 5.808 7.362 0.382 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.868 8.676 0.672 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.677 7.145 -0.758 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.735 9.288 -0.218 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.257 8.381 -1.123 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.015 6.004 -1.500 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.145 8.480 -2.193 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.905 6.098 -2.578 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.469 7.333 -2.924 1.00 0.00 C ATOM 0 H TRP A 29 3.936 4.731 2.415 1.00 0.00 H new ATOM 0 HA TRP A 29 6.262 4.605 0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.220 5.961 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.450 6.862 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.329 9.170 1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.960 10.283 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.587 5.047 -1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.579 9.434 -2.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.158 5.214 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.155 7.399 -3.756 1.00 0.00 H new ATOM 231 N GLU A 30 6.875 6.680 3.348 1.00 0.00 N ATOM 232 CA GLU A 30 8.043 7.226 4.084 1.00 0.00 C ATOM 233 C GLU A 30 8.892 6.076 4.614 1.00 0.00 C ATOM 234 O GLU A 30 10.102 6.133 4.613 1.00 0.00 O ATOM 235 CB GLU A 30 7.475 8.059 5.230 1.00 0.00 C ATOM 236 CG GLU A 30 6.580 7.207 6.123 1.00 0.00 C ATOM 237 CD GLU A 30 6.308 7.965 7.425 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.100 7.832 8.342 1.00 0.00 O ATOM 239 OE2 GLU A 30 5.309 8.664 7.481 1.00 0.00 O ATOM 0 H GLU A 30 5.964 7.040 3.633 1.00 0.00 H new ATOM 0 HA GLU A 30 8.681 7.837 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.290 8.480 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.905 8.897 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.642 6.985 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.061 6.252 6.337 1.00 0.00 H new ATOM 246 N LYS A 31 8.269 5.020 5.046 1.00 0.00 N ATOM 247 CA LYS A 31 9.056 3.860 5.546 1.00 0.00 C ATOM 248 C LYS A 31 9.982 3.395 4.424 1.00 0.00 C ATOM 249 O LYS A 31 11.163 3.186 4.620 1.00 0.00 O ATOM 250 CB LYS A 31 8.033 2.779 5.893 1.00 0.00 C ATOM 251 CG LYS A 31 8.680 1.757 6.830 1.00 0.00 C ATOM 252 CD LYS A 31 7.603 0.854 7.431 1.00 0.00 C ATOM 253 CE LYS A 31 7.661 -0.516 6.757 1.00 0.00 C ATOM 254 NZ LYS A 31 6.274 -0.769 6.276 1.00 0.00 N ATOM 0 H LYS A 31 7.256 4.908 5.075 1.00 0.00 H new ATOM 0 HA LYS A 31 9.667 4.100 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.161 3.226 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.683 2.288 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.407 1.157 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.223 2.270 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.756 0.751 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.618 1.300 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.372 -0.519 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.983 -1.287 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.192 -1.755 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.602 -0.600 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.058 -0.129 5.485 1.00 0.00 H new ATOM 268 N ALA A 32 9.456 3.264 3.236 1.00 0.00 N ATOM 269 CA ALA A 32 10.307 2.856 2.098 1.00 0.00 C ATOM 270 C ALA A 32 11.503 3.793 2.037 1.00 0.00 C ATOM 271 O ALA A 32 12.631 3.376 1.869 1.00 0.00 O ATOM 272 CB ALA A 32 9.430 3.023 0.862 1.00 0.00 C ATOM 0 H ALA A 32 8.474 3.423 3.011 1.00 0.00 H new ATOM 0 HA ALA A 32 10.678 1.835 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.995 2.738 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.550 2.387 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.118 4.064 0.775 1.00 0.00 H new ATOM 278 N GLN A 33 11.264 5.067 2.201 1.00 0.00 N ATOM 279 CA GLN A 33 12.402 6.027 2.186 1.00 0.00 C ATOM 280 C GLN A 33 13.368 5.654 3.313 1.00 0.00 C ATOM 281 O GLN A 33 14.572 5.745 3.174 1.00 0.00 O ATOM 282 CB GLN A 33 11.778 7.403 2.425 1.00 0.00 C ATOM 283 CG GLN A 33 11.082 7.874 1.146 1.00 0.00 C ATOM 284 CD GLN A 33 10.228 9.104 1.453 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.736 10.119 1.888 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.942 9.055 1.242 1.00 0.00 N ATOM 0 H GLN A 33 10.342 5.479 2.343 1.00 0.00 H new ATOM 0 HA GLN A 33 12.962 6.016 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.061 7.352 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.547 8.118 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.823 8.114 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.458 7.076 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.517 8.203 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.361 9.869 1.442 1.00 0.00 H new ATOM 295 N ARG A 34 12.839 5.204 4.423 1.00 0.00 N ATOM 296 CA ARG A 34 13.713 4.788 5.557 1.00 0.00 C ATOM 297 C ARG A 34 14.510 3.552 5.145 1.00 0.00 C ATOM 298 O ARG A 34 15.604 3.317 5.616 1.00 0.00 O ATOM 299 CB ARG A 34 12.754 4.462 6.704 1.00 0.00 C ATOM 300 CG ARG A 34 12.921 5.492 7.824 1.00 0.00 C ATOM 301 CD ARG A 34 12.932 6.902 7.227 1.00 0.00 C ATOM 302 NE ARG A 34 11.965 7.678 8.054 1.00 0.00 N ATOM 303 CZ ARG A 34 12.353 8.214 9.180 1.00 0.00 C ATOM 304 NH1 ARG A 34 13.472 7.835 9.733 1.00 0.00 N ATOM 305 NH2 ARG A 34 11.620 9.128 9.754 1.00 0.00 N ATOM 0 H ARG A 34 11.838 5.107 4.591 1.00 0.00 H new ATOM 0 HA ARG A 34 14.428 5.557 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.725 4.466 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.954 3.461 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.108 5.397 8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.849 5.308 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.929 7.341 7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.634 6.889 6.179 1.00 0.00 H new ATOM 0 HE ARG A 34 11.001 7.790 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.045 7.119 9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.774 8.254 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.744 9.424 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.923 9.547 10.633 1.00 0.00 H new ATOM 319 N LEU A 35 13.974 2.771 4.241 1.00 0.00 N ATOM 320 CA LEU A 35 14.703 1.559 3.763 1.00 0.00 C ATOM 321 C LEU A 35 15.700 1.952 2.663 1.00 0.00 C ATOM 322 O LEU A 35 16.098 1.145 1.847 1.00 0.00 O ATOM 323 CB LEU A 35 13.621 0.635 3.208 1.00 0.00 C ATOM 324 CG LEU A 35 12.961 -0.122 4.359 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.910 0.767 5.024 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.289 -1.385 3.818 1.00 0.00 C ATOM 0 H LEU A 35 13.061 2.922 3.813 1.00 0.00 H new ATOM 0 HA LEU A 35 15.274 1.076 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.875 1.215 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.057 -0.068 2.498 1.00 0.00 H new ATOM 0 HG LEU A 35 13.719 -0.396 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.441 0.224 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.387 1.668 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.152 1.044 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.818 -1.926 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.533 -1.109 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.037 -2.022 3.346 1.00 0.00 H new ATOM 338 N HIS A 36 16.107 3.194 2.654 1.00 0.00 N ATOM 339 CA HIS A 36 17.085 3.688 1.640 1.00 0.00 C ATOM 340 C HIS A 36 16.880 3.041 0.267 1.00 0.00 C ATOM 341 O HIS A 36 17.833 2.723 -0.415 1.00 0.00 O ATOM 342 CB HIS A 36 18.469 3.341 2.199 1.00 0.00 C ATOM 343 CG HIS A 36 18.475 1.937 2.739 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.898 0.854 1.984 1.00 0.00 N ATOM 345 CD2 HIS A 36 18.119 1.423 3.963 1.00 0.00 C ATOM 346 CE1 HIS A 36 18.788 -0.245 2.753 1.00 0.00 C ATOM 347 NE2 HIS A 36 18.318 0.045 3.970 1.00 0.00 N ATOM 0 H HIS A 36 15.796 3.901 3.320 1.00 0.00 H new ATOM 0 HA HIS A 36 16.960 4.759 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.221 3.440 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.737 4.043 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.742 2.001 4.794 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.048 -1.241 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 36 18.143 -0.603 4.738 1.00 0.00 H new ATOM 355 N LEU A 37 15.660 2.872 -0.172 1.00 0.00 N ATOM 356 CA LEU A 37 15.455 2.282 -1.524 1.00 0.00 C ATOM 357 C LEU A 37 16.027 3.241 -2.571 1.00 0.00 C ATOM 358 O LEU A 37 16.269 4.395 -2.283 1.00 0.00 O ATOM 359 CB LEU A 37 13.938 2.192 -1.720 1.00 0.00 C ATOM 360 CG LEU A 37 13.334 1.056 -0.895 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.814 1.107 -1.042 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.828 -0.293 -1.413 1.00 0.00 C ATOM 0 H LEU A 37 14.811 3.113 0.339 1.00 0.00 H new ATOM 0 HA LEU A 37 15.938 1.310 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.476 3.137 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.715 2.035 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 37 13.629 1.170 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.365 0.303 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.445 2.067 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.546 0.988 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.391 -1.094 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.532 -0.413 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.914 -0.336 -1.337 1.00 0.00 H new ATOM 374 N PRO A 38 16.182 2.744 -3.763 1.00 0.00 N ATOM 375 CA PRO A 38 16.675 3.585 -4.872 1.00 0.00 C ATOM 376 C PRO A 38 15.523 4.483 -5.334 1.00 0.00 C ATOM 377 O PRO A 38 14.418 4.356 -4.847 1.00 0.00 O ATOM 378 CB PRO A 38 17.050 2.575 -5.951 1.00 0.00 C ATOM 379 CG PRO A 38 16.208 1.371 -5.663 1.00 0.00 C ATOM 380 CD PRO A 38 15.927 1.368 -4.181 1.00 0.00 C ATOM 0 HA PRO A 38 17.515 4.231 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.849 2.969 -6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.112 2.332 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.278 1.407 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.727 0.459 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.899 1.073 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.574 0.666 -3.655 1.00 0.00 H new ATOM 388 N PRO A 39 15.802 5.357 -6.258 1.00 0.00 N ATOM 389 CA PRO A 39 14.744 6.264 -6.765 1.00 0.00 C ATOM 390 C PRO A 39 13.732 5.477 -7.604 1.00 0.00 C ATOM 391 O PRO A 39 12.558 5.797 -7.644 1.00 0.00 O ATOM 392 CB PRO A 39 15.514 7.270 -7.615 1.00 0.00 C ATOM 393 CG PRO A 39 16.766 6.558 -8.019 1.00 0.00 C ATOM 394 CD PRO A 39 17.094 5.589 -6.912 1.00 0.00 C ATOM 0 HA PRO A 39 14.167 6.746 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.935 7.575 -8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.739 8.174 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.624 6.032 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.582 7.265 -8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.517 4.663 -7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.825 6.006 -6.219 1.00 0.00 H new ATOM 402 N VAL A 40 14.173 4.444 -8.269 1.00 0.00 N ATOM 403 CA VAL A 40 13.234 3.635 -9.099 1.00 0.00 C ATOM 404 C VAL A 40 12.246 2.887 -8.213 1.00 0.00 C ATOM 405 O VAL A 40 11.075 2.815 -8.499 1.00 0.00 O ATOM 406 CB VAL A 40 14.110 2.634 -9.841 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.775 1.688 -8.837 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.236 1.826 -10.804 1.00 0.00 C ATOM 0 H VAL A 40 15.142 4.125 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 40 12.656 4.265 -9.775 1.00 0.00 H new ATOM 0 HB VAL A 40 14.882 3.164 -10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.401 0.973 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.390 2.265 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.007 1.152 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.855 1.106 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.468 1.296 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.762 2.500 -11.518 1.00 0.00 H new ATOM 418 N ARG A 41 12.716 2.314 -7.148 1.00 0.00 N ATOM 419 CA ARG A 41 11.810 1.558 -6.248 1.00 0.00 C ATOM 420 C ARG A 41 10.920 2.521 -5.472 1.00 0.00 C ATOM 421 O ARG A 41 9.841 2.170 -5.041 1.00 0.00 O ATOM 422 CB ARG A 41 12.754 0.818 -5.315 1.00 0.00 C ATOM 423 CG ARG A 41 12.993 -0.587 -5.857 1.00 0.00 C ATOM 424 CD ARG A 41 12.986 -1.587 -4.707 1.00 0.00 C ATOM 425 NE ARG A 41 14.298 -1.407 -4.033 1.00 0.00 N ATOM 426 CZ ARG A 41 15.172 -2.376 -4.027 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.926 -3.474 -3.367 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.294 -2.246 -4.681 1.00 0.00 N ATOM 0 H ARG A 41 13.694 2.336 -6.859 1.00 0.00 H new ATOM 0 HA ARG A 41 11.141 0.882 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.699 1.355 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.328 0.767 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.220 -0.845 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.947 -0.628 -6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.161 -1.395 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.866 -2.607 -5.072 1.00 0.00 H new ATOM 0 HE ARG A 41 14.516 -0.523 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.050 -3.576 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.610 -4.231 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.487 -1.387 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.978 -3.003 -4.677 1.00 0.00 H new ATOM 442 N LEU A 42 11.357 3.735 -5.300 1.00 0.00 N ATOM 443 CA LEU A 42 10.525 4.720 -4.565 1.00 0.00 C ATOM 444 C LEU A 42 9.498 5.325 -5.523 1.00 0.00 C ATOM 445 O LEU A 42 8.418 5.711 -5.130 1.00 0.00 O ATOM 446 CB LEU A 42 11.503 5.781 -4.077 1.00 0.00 C ATOM 447 CG LEU A 42 12.372 5.194 -2.968 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.688 5.966 -2.915 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.640 5.322 -1.626 1.00 0.00 C ATOM 0 H LEU A 42 12.253 4.086 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 42 9.975 4.276 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.128 6.123 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.960 6.650 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 42 12.572 4.141 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.319 5.556 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.201 5.877 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.485 7.017 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.259 4.903 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.445 6.374 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.696 4.780 -1.674 1.00 0.00 H new ATOM 461 N ALA A 43 9.818 5.389 -6.789 1.00 0.00 N ATOM 462 CA ALA A 43 8.837 5.940 -7.767 1.00 0.00 C ATOM 463 C ALA A 43 7.797 4.858 -8.054 1.00 0.00 C ATOM 464 O ALA A 43 6.601 5.085 -8.005 1.00 0.00 O ATOM 465 CB ALA A 43 9.650 6.259 -9.023 1.00 0.00 C ATOM 0 H ALA A 43 10.708 5.086 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 43 8.317 6.828 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.991 6.670 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.423 6.988 -8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.116 5.347 -9.396 1.00 0.00 H new ATOM 471 N GLU A 44 8.258 3.669 -8.320 1.00 0.00 N ATOM 472 CA GLU A 44 7.335 2.538 -8.577 1.00 0.00 C ATOM 473 C GLU A 44 6.544 2.267 -7.300 1.00 0.00 C ATOM 474 O GLU A 44 5.348 2.053 -7.324 1.00 0.00 O ATOM 475 CB GLU A 44 8.253 1.366 -8.917 1.00 0.00 C ATOM 476 CG GLU A 44 8.699 1.478 -10.377 1.00 0.00 C ATOM 477 CD GLU A 44 9.160 2.906 -10.677 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.305 3.754 -10.876 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.359 3.128 -10.704 1.00 0.00 O ATOM 0 H GLU A 44 9.249 3.433 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 44 6.618 2.723 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.122 1.367 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.732 0.422 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.510 0.777 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.877 1.206 -11.039 1.00 0.00 H new ATOM 486 N LEU A 45 7.211 2.314 -6.176 1.00 0.00 N ATOM 487 CA LEU A 45 6.506 2.102 -4.885 1.00 0.00 C ATOM 488 C LEU A 45 5.422 3.160 -4.760 1.00 0.00 C ATOM 489 O LEU A 45 4.285 2.867 -4.468 1.00 0.00 O ATOM 490 CB LEU A 45 7.568 2.302 -3.801 1.00 0.00 C ATOM 491 CG LEU A 45 6.901 2.667 -2.468 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.144 1.458 -1.908 1.00 0.00 C ATOM 493 CD2 LEU A 45 7.980 3.089 -1.479 1.00 0.00 C ATOM 0 H LEU A 45 8.213 2.490 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 45 6.044 1.118 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.156 1.391 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.258 3.091 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 45 6.195 3.482 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.675 1.729 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.377 1.148 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.841 0.636 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.518 3.351 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.678 2.266 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.516 3.953 -1.872 1.00 0.00 H new ATOM 505 N HIS A 46 5.775 4.396 -4.986 1.00 0.00 N ATOM 506 CA HIS A 46 4.767 5.479 -4.888 1.00 0.00 C ATOM 507 C HIS A 46 3.595 5.156 -5.808 1.00 0.00 C ATOM 508 O HIS A 46 2.456 5.401 -5.483 1.00 0.00 O ATOM 509 CB HIS A 46 5.479 6.752 -5.345 1.00 0.00 C ATOM 510 CG HIS A 46 4.761 7.942 -4.772 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.639 8.488 -5.375 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.981 8.689 -3.641 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.226 9.516 -4.610 1.00 0.00 C ATOM 514 NE2 HIS A 46 4.011 9.683 -3.542 1.00 0.00 N ATOM 0 H HIS A 46 6.717 4.698 -5.234 1.00 0.00 H new ATOM 0 HA HIS A 46 4.374 5.593 -3.878 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.518 6.743 -5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.492 6.807 -6.434 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.205 8.169 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.784 8.530 -2.936 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.366 10.130 -4.832 1.00 0.00 H new ATOM 522 N ALA A 47 3.868 4.593 -6.954 1.00 0.00 N ATOM 523 CA ALA A 47 2.760 4.240 -7.887 1.00 0.00 C ATOM 524 C ALA A 47 1.875 3.162 -7.250 1.00 0.00 C ATOM 525 O ALA A 47 0.665 3.189 -7.362 1.00 0.00 O ATOM 526 CB ALA A 47 3.451 3.699 -9.140 1.00 0.00 C ATOM 0 H ALA A 47 4.806 4.363 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 47 2.119 5.091 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.699 3.416 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.099 4.469 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.048 2.826 -8.878 1.00 0.00 H new ATOM 532 N ASP A 48 2.476 2.214 -6.579 1.00 0.00 N ATOM 533 CA ASP A 48 1.677 1.133 -5.930 1.00 0.00 C ATOM 534 C ASP A 48 0.903 1.685 -4.728 1.00 0.00 C ATOM 535 O ASP A 48 -0.174 1.224 -4.411 1.00 0.00 O ATOM 536 CB ASP A 48 2.704 0.095 -5.478 1.00 0.00 C ATOM 537 CG ASP A 48 3.529 -0.362 -6.681 1.00 0.00 C ATOM 538 OD1 ASP A 48 2.931 -0.762 -7.668 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.745 -0.305 -6.598 1.00 0.00 O ATOM 0 H ASP A 48 3.486 2.142 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 48 0.938 0.707 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.357 0.521 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.199 -0.758 -5.024 1.00 0.00 H new ATOM 544 N LEU A 49 1.433 2.678 -4.064 1.00 0.00 N ATOM 545 CA LEU A 49 0.714 3.259 -2.903 1.00 0.00 C ATOM 546 C LEU A 49 -0.396 4.155 -3.419 1.00 0.00 C ATOM 547 O LEU A 49 -1.430 4.297 -2.804 1.00 0.00 O ATOM 548 CB LEU A 49 1.756 4.089 -2.158 1.00 0.00 C ATOM 549 CG LEU A 49 2.884 3.183 -1.677 1.00 0.00 C ATOM 550 CD1 LEU A 49 3.952 4.031 -0.989 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.325 2.157 -0.689 1.00 0.00 C ATOM 0 H LEU A 49 2.332 3.109 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 49 0.270 2.502 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.153 4.865 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.294 4.594 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 49 3.326 2.662 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.761 3.387 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.346 4.762 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.512 4.550 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.130 1.508 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.885 2.675 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.561 1.556 -1.182 1.00 0.00 H new ATOM 563 N LYS A 50 -0.188 4.752 -4.558 1.00 0.00 N ATOM 564 CA LYS A 50 -1.237 5.626 -5.130 1.00 0.00 C ATOM 565 C LYS A 50 -2.400 4.744 -5.562 1.00 0.00 C ATOM 566 O LYS A 50 -3.539 5.000 -5.238 1.00 0.00 O ATOM 567 CB LYS A 50 -0.593 6.311 -6.337 1.00 0.00 C ATOM 568 CG LYS A 50 0.311 7.459 -5.871 1.00 0.00 C ATOM 569 CD LYS A 50 -0.424 8.324 -4.845 1.00 0.00 C ATOM 570 CE LYS A 50 -1.837 8.628 -5.345 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.647 9.334 -6.643 1.00 0.00 N ATOM 0 H LYS A 50 0.663 4.670 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.612 6.368 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.010 5.588 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.366 6.694 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.224 7.058 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.608 8.068 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.470 7.808 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.122 9.253 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.414 7.713 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.381 9.250 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.313 10.131 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.672 9.692 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.823 8.673 -7.427 1.00 0.00 H new ATOM 585 N ILE A 51 -2.116 3.682 -6.266 1.00 0.00 N ATOM 586 CA ILE A 51 -3.208 2.765 -6.679 1.00 0.00 C ATOM 587 C ILE A 51 -3.847 2.176 -5.425 1.00 0.00 C ATOM 588 O ILE A 51 -5.048 2.034 -5.335 1.00 0.00 O ATOM 589 CB ILE A 51 -2.528 1.671 -7.501 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.994 2.272 -8.803 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.544 0.572 -7.820 1.00 0.00 C ATOM 592 CD1 ILE A 51 -3.074 3.145 -9.447 1.00 0.00 C ATOM 0 H ILE A 51 -1.180 3.414 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.989 3.261 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.700 1.246 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.103 2.867 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.699 1.477 -9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.062 -0.210 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.924 0.147 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.371 0.995 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.692 3.572 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.953 2.537 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.348 3.948 -8.763 1.00 0.00 H new ATOM 604 N GLN A 52 -3.048 1.850 -4.443 1.00 0.00 N ATOM 605 CA GLN A 52 -3.613 1.292 -3.187 1.00 0.00 C ATOM 606 C GLN A 52 -4.382 2.387 -2.455 1.00 0.00 C ATOM 607 O GLN A 52 -5.282 2.125 -1.681 1.00 0.00 O ATOM 608 CB GLN A 52 -2.397 0.839 -2.368 1.00 0.00 C ATOM 609 CG GLN A 52 -2.869 0.141 -1.095 1.00 0.00 C ATOM 610 CD GLN A 52 -3.632 -1.131 -1.463 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.306 -1.790 -2.430 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.642 -1.507 -0.729 1.00 0.00 N ATOM 0 H GLN A 52 -2.033 1.947 -4.459 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.304 0.467 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.780 0.162 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.776 1.698 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.015 -0.105 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.510 0.808 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.916 -0.954 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.158 -2.354 -0.967 1.00 0.00 H new ATOM 621 N GLU A 53 -4.039 3.618 -2.709 1.00 0.00 N ATOM 622 CA GLU A 53 -4.750 4.739 -2.044 1.00 0.00 C ATOM 623 C GLU A 53 -6.136 4.900 -2.665 1.00 0.00 C ATOM 624 O GLU A 53 -7.141 4.734 -2.007 1.00 0.00 O ATOM 625 CB GLU A 53 -3.878 5.966 -2.308 1.00 0.00 C ATOM 626 CG GLU A 53 -4.233 7.069 -1.316 1.00 0.00 C ATOM 627 CD GLU A 53 -4.074 8.429 -1.997 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.948 8.787 -2.768 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.082 9.088 -1.734 1.00 0.00 O ATOM 0 H GLU A 53 -3.295 3.895 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.898 4.580 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.824 5.703 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.028 6.319 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.257 6.943 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.586 7.009 -0.441 1.00 0.00 H new ATOM 636 N ARG A 54 -6.199 5.196 -3.933 1.00 0.00 N ATOM 637 CA ARG A 54 -7.525 5.340 -4.593 1.00 0.00 C ATOM 638 C ARG A 54 -8.319 4.052 -4.391 1.00 0.00 C ATOM 639 O ARG A 54 -9.529 4.063 -4.263 1.00 0.00 O ATOM 640 CB ARG A 54 -7.217 5.559 -6.076 1.00 0.00 C ATOM 641 CG ARG A 54 -8.276 6.481 -6.684 1.00 0.00 C ATOM 642 CD ARG A 54 -9.270 5.653 -7.503 1.00 0.00 C ATOM 643 NE ARG A 54 -8.504 5.201 -8.699 1.00 0.00 N ATOM 644 CZ ARG A 54 -8.190 6.056 -9.633 1.00 0.00 C ATOM 645 NH1 ARG A 54 -9.034 6.991 -9.973 1.00 0.00 N ATOM 646 NH2 ARG A 54 -7.033 5.975 -10.229 1.00 0.00 N ATOM 0 H ARG A 54 -5.392 5.344 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.115 6.162 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.226 5.999 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.205 4.604 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.800 7.020 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.800 7.229 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.643 4.804 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.136 6.249 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.225 4.224 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.940 7.054 -9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.788 7.659 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.373 5.243 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.788 6.644 -10.959 1.00 0.00 H new ATOM 660 N ASP A 55 -7.638 2.940 -4.350 1.00 0.00 N ATOM 661 CA ASP A 55 -8.336 1.643 -4.146 1.00 0.00 C ATOM 662 C ASP A 55 -8.750 1.493 -2.684 1.00 0.00 C ATOM 663 O ASP A 55 -9.701 0.812 -2.374 1.00 0.00 O ATOM 664 CB ASP A 55 -7.308 0.573 -4.517 1.00 0.00 C ATOM 665 CG ASP A 55 -7.050 0.607 -6.025 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.369 1.613 -6.637 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.535 -0.371 -6.540 1.00 0.00 O ATOM 0 H ASP A 55 -6.625 2.875 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.242 1.566 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.378 0.745 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.671 -0.412 -4.222 1.00 0.00 H new ATOM 672 N GLU A 56 -8.038 2.114 -1.779 1.00 0.00 N ATOM 673 CA GLU A 56 -8.399 1.985 -0.336 1.00 0.00 C ATOM 674 C GLU A 56 -9.544 2.930 0.033 1.00 0.00 C ATOM 675 O GLU A 56 -10.346 2.626 0.892 1.00 0.00 O ATOM 676 CB GLU A 56 -7.134 2.348 0.437 1.00 0.00 C ATOM 677 CG GLU A 56 -6.397 1.070 0.840 1.00 0.00 C ATOM 678 CD GLU A 56 -6.507 0.874 2.353 1.00 0.00 C ATOM 679 OE1 GLU A 56 -5.852 1.608 3.075 1.00 0.00 O ATOM 680 OE2 GLU A 56 -7.244 -0.007 2.764 1.00 0.00 O ATOM 0 H GLU A 56 -7.227 2.701 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.743 0.978 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.487 2.975 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.391 2.927 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.823 0.212 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.349 1.133 0.546 1.00 0.00 H new ATOM 687 N LEU A 57 -9.652 4.060 -0.612 1.00 0.00 N ATOM 688 CA LEU A 57 -10.781 4.973 -0.288 1.00 0.00 C ATOM 689 C LEU A 57 -11.989 4.491 -1.072 1.00 0.00 C ATOM 690 O LEU A 57 -13.073 4.330 -0.544 1.00 0.00 O ATOM 691 CB LEU A 57 -10.363 6.369 -0.756 1.00 0.00 C ATOM 692 CG LEU A 57 -8.921 6.651 -0.349 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.131 7.043 -1.593 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.891 7.802 0.657 1.00 0.00 C ATOM 0 H LEU A 57 -9.016 4.386 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.023 4.992 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.464 6.443 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.024 7.119 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.482 5.764 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.097 7.248 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.159 6.226 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.572 7.935 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.860 8.004 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.321 8.694 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.470 7.529 1.539 1.00 0.00 H new ATOM 706 N ALA A 58 -11.792 4.218 -2.333 1.00 0.00 N ATOM 707 CA ALA A 58 -12.913 3.701 -3.152 1.00 0.00 C ATOM 708 C ALA A 58 -13.412 2.416 -2.500 1.00 0.00 C ATOM 709 O ALA A 58 -14.595 2.239 -2.247 1.00 0.00 O ATOM 710 CB ALA A 58 -12.311 3.418 -4.528 1.00 0.00 C ATOM 0 H ALA A 58 -10.906 4.331 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.752 4.392 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.085 3.031 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.905 4.340 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.514 2.681 -4.432 1.00 0.00 H new ATOM 716 N TRP A 59 -12.511 1.526 -2.179 1.00 0.00 N ATOM 717 CA TRP A 59 -12.945 0.286 -1.506 1.00 0.00 C ATOM 718 C TRP A 59 -13.549 0.671 -0.162 1.00 0.00 C ATOM 719 O TRP A 59 -14.547 0.142 0.255 1.00 0.00 O ATOM 720 CB TRP A 59 -11.690 -0.559 -1.291 1.00 0.00 C ATOM 721 CG TRP A 59 -12.017 -1.604 -0.284 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.640 -2.773 -0.553 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.792 -1.571 1.153 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.818 -3.464 0.631 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.302 -2.768 1.711 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.194 -0.628 2.020 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.227 -3.022 3.079 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.120 -0.885 3.397 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.635 -2.079 3.924 1.00 0.00 C ATOM 0 H TRP A 59 -11.510 1.609 -2.354 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.682 -0.268 -2.088 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.372 -1.017 -2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.865 0.063 -0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.948 -3.111 -1.531 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.273 -4.374 0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.793 0.292 1.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.624 -3.941 3.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.664 -0.160 4.055 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.574 -2.270 4.985 1.00 0.00 H new ATOM 740 N LYS A 60 -12.948 1.599 0.519 1.00 0.00 N ATOM 741 CA LYS A 60 -13.511 2.007 1.825 1.00 0.00 C ATOM 742 C LYS A 60 -14.963 2.405 1.615 1.00 0.00 C ATOM 743 O LYS A 60 -15.796 2.227 2.478 1.00 0.00 O ATOM 744 CB LYS A 60 -12.653 3.172 2.295 1.00 0.00 C ATOM 745 CG LYS A 60 -11.603 2.628 3.265 1.00 0.00 C ATOM 746 CD LYS A 60 -10.399 3.562 3.302 1.00 0.00 C ATOM 747 CE LYS A 60 -10.471 4.409 4.571 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.645 3.680 5.577 1.00 0.00 N ATOM 0 H LYS A 60 -12.100 2.087 0.231 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.500 1.216 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.172 3.657 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.270 3.926 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.031 2.533 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.291 1.630 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.474 2.986 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.392 4.203 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.083 5.413 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.500 4.519 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.954 3.941 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.760 2.655 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.644 3.935 5.455 1.00 0.00 H new ATOM 762 N LYS A 61 -15.290 2.885 0.445 1.00 0.00 N ATOM 763 CA LYS A 61 -16.709 3.216 0.170 1.00 0.00 C ATOM 764 C LYS A 61 -17.439 1.882 0.048 1.00 0.00 C ATOM 765 O LYS A 61 -18.529 1.694 0.553 1.00 0.00 O ATOM 766 CB LYS A 61 -16.711 3.974 -1.160 1.00 0.00 C ATOM 767 CG LYS A 61 -17.060 5.443 -0.908 1.00 0.00 C ATOM 768 CD LYS A 61 -18.372 5.786 -1.617 1.00 0.00 C ATOM 769 CE LYS A 61 -18.141 5.817 -3.130 1.00 0.00 C ATOM 770 NZ LYS A 61 -17.384 7.077 -3.387 1.00 0.00 N ATOM 0 H LYS A 61 -14.640 3.059 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.189 3.822 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.733 3.898 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.434 3.529 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.154 5.627 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.259 6.086 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.135 5.048 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.741 6.753 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.576 4.945 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.086 5.808 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.931 7.686 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.225 7.576 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.468 6.849 -3.823 1.00 0.00 H new ATOM 784 N LEU A 62 -16.801 0.938 -0.598 1.00 0.00 N ATOM 785 CA LEU A 62 -17.399 -0.422 -0.740 1.00 0.00 C ATOM 786 C LEU A 62 -17.731 -0.984 0.652 1.00 0.00 C ATOM 787 O LEU A 62 -18.877 -1.178 1.002 1.00 0.00 O ATOM 788 CB LEU A 62 -16.294 -1.260 -1.393 1.00 0.00 C ATOM 789 CG LEU A 62 -16.686 -1.626 -2.817 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.923 -0.733 -3.799 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.335 -3.095 -3.076 1.00 0.00 C ATOM 0 H LEU A 62 -15.887 1.053 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.319 -0.421 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.358 -0.701 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.122 -2.165 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.757 -1.479 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.202 -0.993 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.172 0.311 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.851 -0.880 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.614 -3.362 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.263 -3.242 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -16.878 -3.728 -2.374 1.00 0.00 H new ATOM 803 N LYS A 63 -16.720 -1.241 1.443 1.00 0.00 N ATOM 804 CA LYS A 63 -16.922 -1.781 2.811 1.00 0.00 C ATOM 805 C LYS A 63 -17.931 -0.923 3.580 1.00 0.00 C ATOM 806 O LYS A 63 -18.791 -1.431 4.272 1.00 0.00 O ATOM 807 CB LYS A 63 -15.531 -1.677 3.435 1.00 0.00 C ATOM 808 CG LYS A 63 -15.318 -2.803 4.449 1.00 0.00 C ATOM 809 CD LYS A 63 -15.907 -2.400 5.799 1.00 0.00 C ATOM 810 CE LYS A 63 -14.895 -1.553 6.571 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.205 -1.798 8.008 1.00 0.00 N ATOM 0 H LYS A 63 -15.744 -1.094 1.187 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.319 -2.796 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.771 -1.731 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.416 -0.710 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.791 -3.719 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.254 -3.014 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.829 -1.837 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.165 -3.289 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.872 -1.845 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.992 -0.497 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.551 -1.250 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.183 -1.505 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.098 -2.811 8.218 1.00 0.00 H new ATOM 825 N LEU A 64 -17.837 0.374 3.460 1.00 0.00 N ATOM 826 CA LEU A 64 -18.800 1.256 4.179 1.00 0.00 C ATOM 827 C LEU A 64 -20.225 0.917 3.740 1.00 0.00 C ATOM 828 O LEU A 64 -21.153 0.943 4.525 1.00 0.00 O ATOM 829 CB LEU A 64 -18.424 2.681 3.767 1.00 0.00 C ATOM 830 CG LEU A 64 -17.324 3.205 4.695 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.458 4.220 3.948 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.962 3.880 5.911 1.00 0.00 C ATOM 0 H LEU A 64 -17.138 0.859 2.898 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.758 1.133 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.079 2.693 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.299 3.329 3.819 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.703 2.372 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.677 4.590 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.001 3.741 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.078 5.053 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.180 4.253 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.585 4.711 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.576 3.157 6.448 1.00 0.00 H new ATOM 844 N ASP A 65 -20.400 0.582 2.491 1.00 0.00 N ATOM 845 CA ASP A 65 -21.759 0.220 1.997 1.00 0.00 C ATOM 846 C ASP A 65 -22.033 -1.256 2.295 1.00 0.00 C ATOM 847 O ASP A 65 -23.158 -1.715 2.245 1.00 0.00 O ATOM 848 CB ASP A 65 -21.715 0.470 0.489 1.00 0.00 C ATOM 849 CG ASP A 65 -22.317 1.844 0.183 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.017 2.775 0.913 1.00 0.00 O ATOM 851 OD2 ASP A 65 -23.067 1.941 -0.775 1.00 0.00 O ATOM 0 H ASP A 65 -19.660 0.543 1.790 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.549 0.799 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.686 0.424 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.270 -0.307 -0.036 1.00 0.00 H new ATOM 856 N GLY A 66 -21.008 -2.000 2.616 1.00 0.00 N ATOM 857 CA GLY A 66 -21.198 -3.445 2.930 1.00 0.00 C ATOM 858 C GLY A 66 -20.972 -4.286 1.672 1.00 0.00 C ATOM 859 O GLY A 66 -21.760 -5.151 1.345 1.00 0.00 O ATOM 0 H GLY A 66 -20.045 -1.668 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.503 -3.751 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.204 -3.613 3.314 1.00 0.00 H new ATOM 863 N LEU A 67 -19.901 -4.045 0.962 1.00 0.00 N ATOM 864 CA LEU A 67 -19.637 -4.840 -0.272 1.00 0.00 C ATOM 865 C LEU A 67 -18.660 -5.977 0.032 1.00 0.00 C ATOM 866 O LEU A 67 -18.913 -7.123 -0.275 1.00 0.00 O ATOM 867 CB LEU A 67 -19.012 -3.857 -1.269 1.00 0.00 C ATOM 868 CG LEU A 67 -19.957 -2.667 -1.549 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.884 -2.306 -3.033 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.413 -3.016 -1.209 1.00 0.00 C ATOM 0 H LEU A 67 -19.202 -3.336 1.182 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.548 -5.291 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.065 -3.488 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.788 -4.374 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.640 -1.831 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.549 -1.467 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.862 -2.029 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.189 -3.164 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.051 -2.157 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.735 -3.863 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.488 -3.276 -0.153 1.00 0.00 H new ATOM 882 N ASP A 68 -17.541 -5.665 0.627 1.00 0.00 N ATOM 883 CA ASP A 68 -16.548 -6.729 0.944 1.00 0.00 C ATOM 884 C ASP A 68 -16.900 -7.407 2.273 1.00 0.00 C ATOM 885 O ASP A 68 -16.135 -7.374 3.217 1.00 0.00 O ATOM 886 CB ASP A 68 -15.209 -6.003 1.056 1.00 0.00 C ATOM 887 CG ASP A 68 -14.157 -6.966 1.605 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.737 -7.836 0.860 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.792 -6.819 2.758 1.00 0.00 O ATOM 0 H ASP A 68 -17.272 -4.722 0.907 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.528 -7.510 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.902 -5.629 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.305 -5.138 1.712 1.00 0.00 H new ATOM 894 N GLU A 69 -18.051 -8.015 2.356 1.00 0.00 N ATOM 895 CA GLU A 69 -18.451 -8.686 3.627 1.00 0.00 C ATOM 896 C GLU A 69 -17.679 -9.997 3.814 1.00 0.00 C ATOM 897 O GLU A 69 -17.778 -10.645 4.837 1.00 0.00 O ATOM 898 CB GLU A 69 -19.947 -8.964 3.473 1.00 0.00 C ATOM 899 CG GLU A 69 -20.684 -7.654 3.183 1.00 0.00 C ATOM 900 CD GLU A 69 -22.059 -7.685 3.852 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.187 -8.347 4.869 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.961 -7.046 3.336 1.00 0.00 O ATOM 0 H GLU A 69 -18.732 -8.077 1.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.234 -8.069 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.114 -9.674 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.338 -9.420 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.105 -6.808 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.794 -7.516 2.107 1.00 0.00 H new ATOM 909 N ASP A 70 -16.912 -10.397 2.836 1.00 0.00 N ATOM 910 CA ASP A 70 -16.142 -11.670 2.967 1.00 0.00 C ATOM 911 C ASP A 70 -14.648 -11.419 2.746 1.00 0.00 C ATOM 912 O ASP A 70 -13.824 -12.283 2.971 1.00 0.00 O ATOM 913 CB ASP A 70 -16.700 -12.583 1.876 1.00 0.00 C ATOM 914 CG ASP A 70 -16.176 -12.132 0.511 1.00 0.00 C ATOM 915 OD1 ASP A 70 -16.274 -10.950 0.223 1.00 0.00 O ATOM 916 OD2 ASP A 70 -15.683 -12.974 -0.221 1.00 0.00 O ATOM 0 H ASP A 70 -16.785 -9.900 1.954 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.242 -12.109 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.406 -13.615 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.790 -12.554 1.886 1.00 0.00 H new ATOM 921 N GLY A 71 -14.291 -10.245 2.306 1.00 0.00 N ATOM 922 CA GLY A 71 -12.851 -9.949 2.072 1.00 0.00 C ATOM 923 C GLY A 71 -12.502 -10.230 0.610 1.00 0.00 C ATOM 924 O GLY A 71 -11.378 -10.551 0.282 1.00 0.00 O ATOM 0 H GLY A 71 -14.932 -9.480 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.639 -8.907 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.232 -10.561 2.728 1.00 0.00 H new ATOM 928 N GLU A 72 -13.457 -10.110 -0.273 1.00 0.00 N ATOM 929 CA GLU A 72 -13.169 -10.368 -1.713 1.00 0.00 C ATOM 930 C GLU A 72 -12.606 -9.104 -2.363 1.00 0.00 C ATOM 931 O GLU A 72 -11.540 -9.119 -2.947 1.00 0.00 O ATOM 932 CB GLU A 72 -14.516 -10.743 -2.332 1.00 0.00 C ATOM 933 CG GLU A 72 -14.282 -11.537 -3.619 1.00 0.00 C ATOM 934 CD GLU A 72 -15.498 -12.420 -3.905 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.714 -13.358 -3.156 1.00 0.00 O ATOM 936 OE2 GLU A 72 -16.192 -12.145 -4.870 1.00 0.00 O ATOM 0 H GLU A 72 -14.419 -9.846 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.431 -11.157 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.100 -11.335 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.093 -9.843 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.110 -10.856 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.388 -12.153 -3.521 1.00 0.00 H new ATOM 943 N LYS A 73 -13.300 -8.006 -2.255 1.00 0.00 N ATOM 944 CA LYS A 73 -12.782 -6.748 -2.856 1.00 0.00 C ATOM 945 C LYS A 73 -11.542 -6.309 -2.079 1.00 0.00 C ATOM 946 O LYS A 73 -10.499 -6.049 -2.646 1.00 0.00 O ATOM 947 CB LYS A 73 -13.912 -5.727 -2.701 1.00 0.00 C ATOM 948 CG LYS A 73 -15.205 -6.288 -3.305 1.00 0.00 C ATOM 949 CD LYS A 73 -15.017 -6.517 -4.805 1.00 0.00 C ATOM 950 CE LYS A 73 -16.386 -6.628 -5.482 1.00 0.00 C ATOM 951 NZ LYS A 73 -16.280 -5.788 -6.708 1.00 0.00 N ATOM 0 H LYS A 73 -14.199 -7.926 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.498 -6.860 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.063 -5.495 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.643 -4.795 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.470 -7.225 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.028 -5.595 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.450 -5.694 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.441 -7.427 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.620 -7.663 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.180 -6.271 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.182 -5.814 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.064 -4.807 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.521 -6.156 -7.316 1.00 0.00 H new ATOM 965 N GLU A 74 -11.644 -6.250 -0.780 1.00 0.00 N ATOM 966 CA GLU A 74 -10.467 -5.856 0.037 1.00 0.00 C ATOM 967 C GLU A 74 -9.322 -6.833 -0.233 1.00 0.00 C ATOM 968 O GLU A 74 -8.171 -6.549 0.036 1.00 0.00 O ATOM 969 CB GLU A 74 -10.936 -5.963 1.489 1.00 0.00 C ATOM 970 CG GLU A 74 -9.723 -5.993 2.421 1.00 0.00 C ATOM 971 CD GLU A 74 -10.186 -6.294 3.847 1.00 0.00 C ATOM 972 OE1 GLU A 74 -10.494 -5.352 4.559 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.226 -7.461 4.202 1.00 0.00 O ATOM 0 H GLU A 74 -12.491 -6.458 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.107 -4.853 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.577 -5.117 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.532 -6.865 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.014 -6.752 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.203 -5.036 2.390 1.00 0.00 H new ATOM 980 N ALA A 75 -9.631 -7.982 -0.775 1.00 0.00 N ATOM 981 CA ALA A 75 -8.562 -8.973 -1.075 1.00 0.00 C ATOM 982 C ALA A 75 -7.564 -8.358 -2.053 1.00 0.00 C ATOM 983 O ALA A 75 -6.366 -8.513 -1.914 1.00 0.00 O ATOM 984 CB ALA A 75 -9.283 -10.162 -1.712 1.00 0.00 C ATOM 0 H ALA A 75 -10.577 -8.274 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.006 -9.275 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.558 -10.936 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.014 -10.563 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.792 -9.836 -2.619 1.00 0.00 H new ATOM 990 N ARG A 76 -8.047 -7.643 -3.035 1.00 0.00 N ATOM 991 CA ARG A 76 -7.117 -7.006 -4.005 1.00 0.00 C ATOM 992 C ARG A 76 -6.227 -6.004 -3.272 1.00 0.00 C ATOM 993 O ARG A 76 -5.090 -5.781 -3.637 1.00 0.00 O ATOM 994 CB ARG A 76 -8.008 -6.297 -5.022 1.00 0.00 C ATOM 995 CG ARG A 76 -7.126 -5.498 -5.978 1.00 0.00 C ATOM 996 CD ARG A 76 -7.297 -6.029 -7.403 1.00 0.00 C ATOM 997 NE ARG A 76 -8.758 -5.944 -7.673 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.285 -6.642 -8.642 1.00 0.00 C ATOM 999 NH1 ARG A 76 -8.784 -6.572 -9.844 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.313 -7.414 -8.407 1.00 0.00 N ATOM 0 H ARG A 76 -9.039 -7.475 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.463 -7.729 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.602 -7.025 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.709 -5.635 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.394 -4.442 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.082 -5.574 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.728 -5.433 -8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.939 -7.055 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.348 -5.340 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.980 -5.972 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.196 -7.118 -10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.703 -7.471 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.725 -7.959 -9.164 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.735 -5.403 -2.228 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.914 -4.425 -1.461 1.00 0.00 C ATOM 1016 C LEU A 77 -4.824 -5.168 -0.690 1.00 0.00 C ATOM 1017 O LEU A 77 -3.698 -4.724 -0.593 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.887 -3.750 -0.488 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.857 -2.864 -1.269 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.992 -2.401 -0.350 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.119 -1.644 -1.816 1.00 0.00 C ATOM 0 H LEU A 77 -7.681 -5.548 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.424 -3.697 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.438 -4.504 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.336 -3.152 0.238 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.272 -3.438 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.680 -1.770 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.527 -3.270 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.577 -1.834 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.816 -1.016 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.697 -1.073 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.317 -1.971 -2.478 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.159 -6.301 -0.141 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.158 -7.092 0.630 1.00 0.00 C ATOM 1035 C ILE A 78 -3.062 -7.618 -0.301 1.00 0.00 C ATOM 1036 O ILE A 78 -1.897 -7.635 0.043 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.954 -8.249 1.229 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.939 -7.701 2.264 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.002 -9.238 1.904 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.953 -8.785 2.628 1.00 0.00 C ATOM 0 H ILE A 78 -6.089 -6.717 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.660 -6.496 1.395 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.500 -8.762 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.403 -7.376 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.453 -6.827 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.575 -10.062 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.299 -9.627 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.452 -8.731 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.654 -8.394 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.498 -9.089 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.431 -9.646 3.045 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.423 -8.048 -1.480 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.393 -8.571 -2.425 1.00 0.00 C ATOM 1054 C ARG A 79 -1.560 -7.416 -2.977 1.00 0.00 C ATOM 1055 O ARG A 79 -0.363 -7.523 -3.120 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.182 -9.257 -3.538 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.731 -10.589 -3.024 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.575 -11.567 -2.803 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.959 -12.351 -1.597 1.00 0.00 N ATOM 1060 CZ ARG A 79 -2.433 -12.066 -0.438 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -1.159 -11.804 -0.347 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -3.183 -12.043 0.630 1.00 0.00 N ATOM 0 H ARG A 79 -4.381 -8.060 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.699 -9.261 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.000 -8.616 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.541 -9.425 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.274 -10.435 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.440 -11.003 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.436 -12.216 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.635 -11.038 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.634 -13.112 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.574 -11.822 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.748 -11.581 0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.180 -12.248 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.772 -11.820 1.537 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.176 -6.302 -3.267 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.387 -5.145 -3.776 1.00 0.00 C ATOM 1078 C ASN A 80 -0.393 -4.739 -2.693 1.00 0.00 C ATOM 1079 O ASN A 80 0.767 -4.477 -2.952 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.410 -4.034 -4.018 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.866 -4.063 -5.476 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.984 -5.118 -6.068 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.130 -2.940 -6.084 1.00 0.00 N ATOM 0 H ASN A 80 -3.179 -6.144 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.830 -5.365 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.266 -4.164 -3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.971 -3.064 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.436 -2.947 -7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.031 -2.055 -5.586 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.840 -4.718 -1.467 1.00 0.00 N ATOM 1091 CA LEU A 81 0.075 -4.368 -0.353 1.00 0.00 C ATOM 1092 C LEU A 81 1.218 -5.379 -0.333 1.00 0.00 C ATOM 1093 O LEU A 81 2.345 -5.056 -0.614 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.774 -4.487 0.913 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.581 -3.239 1.775 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.906 -3.052 2.071 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.110 -2.014 1.025 1.00 0.00 C ATOM 0 H LEU A 81 -1.800 -4.929 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 81 0.507 -3.371 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.825 -4.601 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.488 -5.377 1.473 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.127 -3.355 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.046 -2.163 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.283 -3.924 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.452 -2.935 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.973 -1.124 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.564 -1.897 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.171 -2.148 0.812 1.00 0.00 H new ATOM 1109 N ASN A 82 0.920 -6.609 -0.026 1.00 0.00 N ATOM 1110 CA ASN A 82 1.977 -7.660 -0.004 1.00 0.00 C ATOM 1111 C ASN A 82 2.923 -7.494 -1.202 1.00 0.00 C ATOM 1112 O ASN A 82 4.115 -7.702 -1.098 1.00 0.00 O ATOM 1113 CB ASN A 82 1.205 -8.975 -0.104 1.00 0.00 C ATOM 1114 CG ASN A 82 1.064 -9.590 1.289 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.045 -9.822 1.966 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.127 -9.862 1.750 1.00 0.00 N ATOM 0 H ASN A 82 -0.017 -6.935 0.213 1.00 0.00 H new ATOM 0 HA ASN A 82 2.599 -7.611 0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.220 -8.799 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.726 -9.666 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.233 -10.269 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.951 -9.667 1.181 1.00 0.00 H new ATOM 1123 N VAL A 83 2.397 -7.114 -2.335 1.00 0.00 N ATOM 1124 CA VAL A 83 3.258 -6.928 -3.539 1.00 0.00 C ATOM 1125 C VAL A 83 4.250 -5.792 -3.285 1.00 0.00 C ATOM 1126 O VAL A 83 5.439 -5.920 -3.509 1.00 0.00 O ATOM 1127 CB VAL A 83 2.274 -6.573 -4.659 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.019 -5.965 -5.847 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.546 -7.839 -5.114 1.00 0.00 C ATOM 0 H VAL A 83 1.405 -6.924 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 83 3.849 -7.809 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 83 1.555 -5.846 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.307 -5.718 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.536 -5.060 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.746 -6.683 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.845 -7.589 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.272 -8.563 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.001 -8.268 -4.273 1.00 0.00 H new ATOM 1139 N ILE A 84 3.770 -4.688 -2.793 1.00 0.00 N ATOM 1140 CA ILE A 84 4.680 -3.550 -2.493 1.00 0.00 C ATOM 1141 C ILE A 84 5.683 -3.996 -1.428 1.00 0.00 C ATOM 1142 O ILE A 84 6.873 -3.825 -1.570 1.00 0.00 O ATOM 1143 CB ILE A 84 3.759 -2.445 -1.972 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.905 -1.916 -3.130 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.595 -1.303 -1.390 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.573 -1.381 -2.593 1.00 0.00 C ATOM 0 H ILE A 84 2.785 -4.523 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 84 5.254 -3.206 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 84 3.114 -2.848 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.439 -1.125 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.723 -2.712 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.933 -0.519 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.205 -1.680 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.243 -0.895 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.971 -1.007 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.036 -2.184 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.764 -0.572 -1.888 1.00 0.00 H new ATOM 1158 N LEU A 85 5.207 -4.602 -0.377 1.00 0.00 N ATOM 1159 CA LEU A 85 6.123 -5.097 0.682 1.00 0.00 C ATOM 1160 C LEU A 85 7.093 -6.088 0.056 1.00 0.00 C ATOM 1161 O LEU A 85 8.189 -6.296 0.530 1.00 0.00 O ATOM 1162 CB LEU A 85 5.219 -5.818 1.681 1.00 0.00 C ATOM 1163 CG LEU A 85 4.543 -4.803 2.599 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.566 -4.244 3.587 1.00 0.00 C ATOM 1165 CD2 LEU A 85 3.961 -3.658 1.767 1.00 0.00 C ATOM 0 H LEU A 85 4.216 -4.776 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 85 6.698 -4.302 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.465 -6.398 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.805 -6.522 2.272 1.00 0.00 H new ATOM 0 HG LEU A 85 3.739 -5.296 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.081 -3.519 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.975 -5.057 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.372 -3.756 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.480 -2.937 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.762 -3.166 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.227 -4.054 1.066 1.00 0.00 H new ATOM 1177 N ALA A 86 6.681 -6.701 -1.018 1.00 0.00 N ATOM 1178 CA ALA A 86 7.568 -7.684 -1.703 1.00 0.00 C ATOM 1179 C ALA A 86 8.585 -6.943 -2.571 1.00 0.00 C ATOM 1180 O ALA A 86 9.675 -7.420 -2.820 1.00 0.00 O ATOM 1181 CB ALA A 86 6.632 -8.523 -2.573 1.00 0.00 C ATOM 0 H ALA A 86 5.768 -6.564 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 86 8.129 -8.301 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.211 -9.273 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.895 -9.019 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.122 -7.876 -3.287 1.00 0.00 H new ATOM 1187 N LYS A 87 8.228 -5.777 -3.034 1.00 0.00 N ATOM 1188 CA LYS A 87 9.158 -4.988 -3.891 1.00 0.00 C ATOM 1189 C LYS A 87 9.991 -4.035 -3.039 1.00 0.00 C ATOM 1190 O LYS A 87 10.935 -3.429 -3.505 1.00 0.00 O ATOM 1191 CB LYS A 87 8.252 -4.174 -4.807 1.00 0.00 C ATOM 1192 CG LYS A 87 9.104 -3.541 -5.904 1.00 0.00 C ATOM 1193 CD LYS A 87 8.209 -2.794 -6.893 1.00 0.00 C ATOM 1194 CE LYS A 87 8.376 -3.401 -8.288 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.067 -3.184 -8.966 1.00 0.00 N ATOM 0 H LYS A 87 7.327 -5.334 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 87 9.847 -5.633 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.486 -4.813 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.735 -3.402 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.827 -2.854 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.672 -4.311 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.167 -2.859 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.471 -1.736 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.187 -2.918 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.618 -4.462 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.106 -3.575 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.315 -3.661 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.866 -2.165 -9.014 1.00 0.00 H new ATOM 1209 N TYR A 88 9.633 -3.878 -1.802 1.00 0.00 N ATOM 1210 CA TYR A 88 10.383 -2.941 -0.924 1.00 0.00 C ATOM 1211 C TYR A 88 10.630 -3.578 0.441 1.00 0.00 C ATOM 1212 O TYR A 88 11.136 -2.945 1.346 1.00 0.00 O ATOM 1213 CB TYR A 88 9.462 -1.726 -0.787 1.00 0.00 C ATOM 1214 CG TYR A 88 8.920 -1.349 -2.143 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.794 -0.914 -3.140 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.548 -1.442 -2.405 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.303 -0.570 -4.403 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.052 -1.099 -3.668 1.00 0.00 C ATOM 1219 CZ TYR A 88 7.929 -0.663 -4.669 1.00 0.00 C ATOM 1220 OH TYR A 88 7.439 -0.315 -5.912 1.00 0.00 O ATOM 0 H TYR A 88 8.851 -4.358 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 88 11.360 -2.679 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.642 -1.953 -0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.010 -0.888 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.852 -0.843 -2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.872 -1.778 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.981 -0.233 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.994 -1.171 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 88 6.488 -0.544 -5.964 1.00 0.00 H new ATOM 1230 N GLY A 89 10.267 -4.823 0.595 1.00 0.00 N ATOM 1231 CA GLY A 89 10.470 -5.504 1.907 1.00 0.00 C ATOM 1232 C GLY A 89 10.116 -4.530 3.032 1.00 0.00 C ATOM 1233 O GLY A 89 10.815 -4.426 4.021 1.00 0.00 O ATOM 0 H GLY A 89 9.839 -5.398 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.845 -6.395 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.505 -5.833 2.005 1.00 0.00 H new ATOM 1237 N LEU A 90 9.041 -3.806 2.881 1.00 0.00 N ATOM 1238 CA LEU A 90 8.647 -2.828 3.932 1.00 0.00 C ATOM 1239 C LEU A 90 8.070 -3.560 5.150 1.00 0.00 C ATOM 1240 O LEU A 90 7.924 -2.993 6.214 1.00 0.00 O ATOM 1241 CB LEU A 90 7.583 -1.946 3.268 1.00 0.00 C ATOM 1242 CG LEU A 90 8.253 -0.935 2.328 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.265 -0.523 1.232 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.665 0.304 3.125 1.00 0.00 C ATOM 0 H LEU A 90 8.418 -3.850 2.074 1.00 0.00 H new ATOM 0 HA LEU A 90 9.492 -2.242 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.882 -2.566 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.007 -1.421 4.030 1.00 0.00 H new ATOM 0 HG LEU A 90 9.133 -1.390 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.741 0.195 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.964 -1.403 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.386 -0.068 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.141 1.023 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.782 0.757 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.366 0.016 3.909 1.00 0.00 H new ATOM 1256 N ASP A 91 7.743 -4.814 5.007 1.00 0.00 N ATOM 1257 CA ASP A 91 7.177 -5.572 6.161 1.00 0.00 C ATOM 1258 C ASP A 91 8.053 -5.383 7.403 1.00 0.00 C ATOM 1259 O ASP A 91 7.593 -5.494 8.522 1.00 0.00 O ATOM 1260 CB ASP A 91 7.187 -7.035 5.717 1.00 0.00 C ATOM 1261 CG ASP A 91 8.626 -7.472 5.433 1.00 0.00 C ATOM 1262 OD1 ASP A 91 9.223 -6.921 4.524 1.00 0.00 O ATOM 1263 OD2 ASP A 91 9.105 -8.352 6.130 1.00 0.00 O ATOM 0 H ASP A 91 7.842 -5.347 4.143 1.00 0.00 H new ATOM 0 HA ASP A 91 6.176 -5.232 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.751 -7.665 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.575 -7.159 4.824 1.00 0.00 H new ATOM 1268 N GLY A 92 9.312 -5.101 7.212 1.00 0.00 N ATOM 1269 CA GLY A 92 10.221 -4.908 8.378 1.00 0.00 C ATOM 1270 C GLY A 92 11.659 -5.195 7.948 1.00 0.00 C ATOM 1271 O GLY A 92 12.158 -4.623 6.998 1.00 0.00 O ATOM 0 H GLY A 92 9.752 -4.996 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.138 -3.888 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.933 -5.573 9.193 1.00 0.00 H new ATOM 1275 N LYS A 93 12.332 -6.080 8.631 1.00 0.00 N ATOM 1276 CA LYS A 93 13.737 -6.398 8.246 1.00 0.00 C ATOM 1277 C LYS A 93 13.756 -7.579 7.270 1.00 0.00 C ATOM 1278 O LYS A 93 12.726 -8.043 6.821 1.00 0.00 O ATOM 1279 CB LYS A 93 14.444 -6.765 9.552 1.00 0.00 C ATOM 1280 CG LYS A 93 15.735 -5.951 9.673 1.00 0.00 C ATOM 1281 CD LYS A 93 16.613 -6.539 10.782 1.00 0.00 C ATOM 1282 CE LYS A 93 17.938 -5.776 10.840 1.00 0.00 C ATOM 1283 NZ LYS A 93 18.503 -6.089 12.182 1.00 0.00 N ATOM 0 H LYS A 93 11.973 -6.595 9.435 1.00 0.00 H new ATOM 0 HA LYS A 93 14.228 -5.562 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.792 -6.563 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.669 -7.831 9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.273 -5.962 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.501 -4.910 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.100 -6.472 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.798 -7.596 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.612 -6.093 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.782 -4.704 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.414 -5.601 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.843 -5.769 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.647 -7.115 12.267 1.00 0.00 H new ATOM 1297 N LYS A 94 14.919 -8.066 6.939 1.00 0.00 N ATOM 1298 CA LYS A 94 15.004 -9.215 5.991 1.00 0.00 C ATOM 1299 C LYS A 94 16.363 -9.909 6.122 1.00 0.00 C ATOM 1300 O LYS A 94 16.471 -11.110 5.974 1.00 0.00 O ATOM 1301 CB LYS A 94 14.848 -8.595 4.601 1.00 0.00 C ATOM 1302 CG LYS A 94 16.002 -7.625 4.343 1.00 0.00 C ATOM 1303 CD LYS A 94 15.638 -6.690 3.189 1.00 0.00 C ATOM 1304 CE LYS A 94 15.296 -7.518 1.948 1.00 0.00 C ATOM 1305 NZ LYS A 94 14.318 -6.689 1.190 1.00 0.00 N ATOM 0 H LYS A 94 15.815 -7.719 7.283 1.00 0.00 H new ATOM 0 HA LYS A 94 14.243 -9.970 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.839 -9.377 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.895 -8.071 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.211 -7.045 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.909 -8.179 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.789 -6.065 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.470 -6.020 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.186 -7.722 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.868 -8.482 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.352 -6.946 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.360 -6.858 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.558 -5.683 1.299 1.00 0.00 H new ATOM 1319 N ASP A 95 17.396 -9.158 6.399 1.00 0.00 N ATOM 1320 CA ASP A 95 18.752 -9.761 6.548 1.00 0.00 C ATOM 1321 C ASP A 95 18.659 -11.106 7.272 1.00 0.00 C ATOM 1322 O ASP A 95 17.860 -11.283 8.170 1.00 0.00 O ATOM 1323 CB ASP A 95 19.529 -8.752 7.392 1.00 0.00 C ATOM 1324 CG ASP A 95 20.821 -9.396 7.897 1.00 0.00 C ATOM 1325 OD1 ASP A 95 20.735 -10.252 8.762 1.00 0.00 O ATOM 1326 OD2 ASP A 95 21.876 -9.022 7.410 1.00 0.00 O ATOM 0 H ASP A 95 17.358 -8.147 6.529 1.00 0.00 H new ATOM 0 HA ASP A 95 19.231 -9.954 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.759 -7.867 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.921 -8.422 8.235 1.00 0.00 H new ATOM 1331 N ALA A 96 19.464 -12.057 6.886 1.00 0.00 N ATOM 1332 CA ALA A 96 19.417 -13.394 7.549 1.00 0.00 C ATOM 1333 C ALA A 96 18.114 -14.114 7.186 1.00 0.00 C ATOM 1334 O ALA A 96 17.079 -13.883 7.779 1.00 0.00 O ATOM 1335 CB ALA A 96 19.473 -13.103 9.050 1.00 0.00 C ATOM 0 H ALA A 96 20.153 -11.968 6.140 1.00 0.00 H new ATOM 0 HA ALA A 96 20.237 -14.039 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.442 -14.041 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.397 -12.574 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.620 -12.487 9.333 1.00 0.00 H new ATOM 1341 N ARG A 97 18.156 -14.982 6.210 1.00 0.00 N ATOM 1342 CA ARG A 97 16.921 -15.714 5.805 1.00 0.00 C ATOM 1343 C ARG A 97 15.750 -14.740 5.657 1.00 0.00 C ATOM 1344 O ARG A 97 16.004 -13.569 5.428 1.00 0.00 O ATOM 1345 CB ARG A 97 16.656 -16.704 6.940 1.00 0.00 C ATOM 1346 CG ARG A 97 16.094 -18.004 6.364 1.00 0.00 C ATOM 1347 CD ARG A 97 17.221 -19.033 6.223 1.00 0.00 C ATOM 1348 NE ARG A 97 16.551 -20.356 6.347 1.00 0.00 N ATOM 1349 CZ ARG A 97 17.231 -21.452 6.143 1.00 0.00 C ATOM 1350 NH1 ARG A 97 18.046 -21.535 5.127 1.00 0.00 N ATOM 1351 NH2 ARG A 97 17.097 -22.465 6.955 1.00 0.00 N ATOM 1352 OXT ARG A 97 14.619 -15.182 5.778 1.00 0.00 O ATOM 0 H ARG A 97 18.993 -15.216 5.676 1.00 0.00 H new ATOM 0 HA ARG A 97 17.037 -16.216 4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.579 -16.904 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.952 -16.276 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.311 -18.394 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.636 -17.815 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.727 -18.935 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.977 -18.899 6.997 1.00 0.00 H new ATOM 0 HE ARG A 97 15.562 -20.407 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.152 -20.744 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.577 -22.391 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.461 -22.401 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.629 -23.321 6.795 1.00 0.00 H new TER 1366 ARG A 97