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 Single : A 22 MET CE :methyl -148:sc= -3.7! (180deg=-5.72!) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= -0.0367 (180deg=-0.482) USER MOD Single : A 26 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.8!) USER MOD Single : A 27 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.91 F(o=-3.4!,f=-2.9) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.14 F(o=-5.3!,f=-1.1) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.257 F(o=-2.6!,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -6.99! C(o=-11!,f=-7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -154:sc= -0.0103 (180deg=-1.01!) USER MOD Single : A 80 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -1 K(o=-1,f=-5.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 169:sc= -2.06! USER MOD Single : A 93 LYS NZ :NH3+ -116:sc= -0.0319 (180deg=-0.378) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 0.883 18.104 2.768 1.00 0.00 N ATOM 2 CA GLY A 17 2.304 17.709 2.552 1.00 0.00 C ATOM 3 C GLY A 17 2.427 16.185 2.608 1.00 0.00 C ATOM 4 O GLY A 17 3.509 15.637 2.542 1.00 0.00 O ATOM 0 HA2 GLY A 17 2.652 18.077 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.938 18.163 3.313 1.00 0.00 H new ATOM 10 N GLU A 18 1.325 15.494 2.727 1.00 0.00 N ATOM 11 CA GLU A 18 1.381 14.005 2.786 1.00 0.00 C ATOM 12 C GLU A 18 1.219 13.413 1.385 1.00 0.00 C ATOM 13 O GLU A 18 0.355 13.812 0.629 1.00 0.00 O ATOM 14 CB GLU A 18 0.205 13.596 3.672 1.00 0.00 C ATOM 15 CG GLU A 18 0.526 13.909 5.135 1.00 0.00 C ATOM 16 CD GLU A 18 -0.026 12.798 6.028 1.00 0.00 C ATOM 17 OE1 GLU A 18 -1.052 12.238 5.676 1.00 0.00 O ATOM 18 OE2 GLU A 18 0.584 12.525 7.048 1.00 0.00 O ATOM 0 H GLU A 18 0.389 15.896 2.786 1.00 0.00 H new ATOM 0 HA GLU A 18 2.333 13.647 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.696 14.128 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.002 12.532 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.604 13.997 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.090 14.867 5.417 1.00 0.00 H new ATOM 25 N GLU A 19 2.041 12.465 1.030 1.00 0.00 N ATOM 26 CA GLU A 19 1.930 11.854 -0.318 1.00 0.00 C ATOM 27 C GLU A 19 0.620 11.069 -0.443 1.00 0.00 C ATOM 28 O GLU A 19 0.024 11.007 -1.499 1.00 0.00 O ATOM 29 CB GLU A 19 3.132 10.913 -0.424 1.00 0.00 C ATOM 30 CG GLU A 19 4.421 11.706 -0.199 1.00 0.00 C ATOM 31 CD GLU A 19 4.759 12.498 -1.463 1.00 0.00 C ATOM 32 OE1 GLU A 19 3.848 12.774 -2.227 1.00 0.00 O ATOM 33 OE2 GLU A 19 5.923 12.815 -1.646 1.00 0.00 O ATOM 0 H GLU A 19 2.785 12.089 1.618 1.00 0.00 H new ATOM 0 HA GLU A 19 1.924 12.603 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.049 10.115 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.151 10.438 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.301 12.383 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.239 11.029 0.049 1.00 0.00 H new ATOM 40 N PHE A 20 0.175 10.457 0.621 1.00 0.00 N ATOM 41 CA PHE A 20 -1.088 9.666 0.551 1.00 0.00 C ATOM 42 C PHE A 20 -2.137 10.216 1.529 1.00 0.00 C ATOM 43 O PHE A 20 -1.867 11.112 2.304 1.00 0.00 O ATOM 44 CB PHE A 20 -0.659 8.246 0.914 1.00 0.00 C ATOM 45 CG PHE A 20 0.349 7.785 -0.115 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.716 8.053 0.066 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.082 7.112 -1.266 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.642 7.644 -0.901 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.849 6.709 -2.230 1.00 0.00 C ATOM 50 CZ PHE A 20 2.209 6.974 -2.048 1.00 0.00 C ATOM 0 H PHE A 20 0.630 10.470 1.534 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.561 9.710 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.222 8.223 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.521 7.579 0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.052 8.574 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.132 6.904 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.693 7.847 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.515 6.192 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.925 6.661 -2.794 1.00 0.00 H new ATOM 60 N ARG A 21 -3.343 9.706 1.476 1.00 0.00 N ATOM 61 CA ARG A 21 -4.419 10.224 2.378 1.00 0.00 C ATOM 62 C ARG A 21 -4.365 9.578 3.763 1.00 0.00 C ATOM 63 O ARG A 21 -4.290 10.254 4.770 1.00 0.00 O ATOM 64 CB ARG A 21 -5.731 9.840 1.694 1.00 0.00 C ATOM 65 CG ARG A 21 -6.007 10.799 0.541 1.00 0.00 C ATOM 66 CD ARG A 21 -5.479 10.184 -0.752 1.00 0.00 C ATOM 67 NE ARG A 21 -6.215 10.882 -1.841 1.00 0.00 N ATOM 68 CZ ARG A 21 -5.664 11.892 -2.457 1.00 0.00 C ATOM 69 NH1 ARG A 21 -5.754 13.092 -1.955 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.022 11.700 -3.577 1.00 0.00 N ATOM 0 H ARG A 21 -3.629 8.955 0.848 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.309 11.298 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.673 8.817 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.550 9.873 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.077 10.990 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.525 11.759 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.403 10.329 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.659 9.109 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.150 10.571 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.256 13.242 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.323 13.880 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.951 10.761 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.591 12.489 -4.059 1.00 0.00 H new ATOM 84 N MET A 22 -4.440 8.279 3.825 1.00 0.00 N ATOM 85 CA MET A 22 -4.436 7.597 5.150 1.00 0.00 C ATOM 86 C MET A 22 -3.019 7.439 5.692 1.00 0.00 C ATOM 87 O MET A 22 -2.045 7.579 4.979 1.00 0.00 O ATOM 88 CB MET A 22 -5.055 6.229 4.887 1.00 0.00 C ATOM 89 CG MET A 22 -6.437 6.406 4.260 1.00 0.00 C ATOM 90 SD MET A 22 -7.212 4.787 4.051 1.00 0.00 S ATOM 91 CE MET A 22 -7.201 4.765 2.243 1.00 0.00 C ATOM 0 H MET A 22 -4.504 7.660 3.017 1.00 0.00 H new ATOM 0 HA MET A 22 -4.986 8.171 5.896 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.414 5.650 4.222 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.136 5.670 5.819 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.058 7.040 4.894 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.350 6.907 3.296 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.067 4.211 1.881 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.241 5.787 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.289 4.284 1.891 1.00 0.00 H new ATOM 101 N GLU A 23 -2.904 7.139 6.956 1.00 0.00 N ATOM 102 CA GLU A 23 -1.557 6.958 7.558 1.00 0.00 C ATOM 103 C GLU A 23 -0.991 5.597 7.154 1.00 0.00 C ATOM 104 O GLU A 23 0.181 5.330 7.322 1.00 0.00 O ATOM 105 CB GLU A 23 -1.783 7.022 9.068 1.00 0.00 C ATOM 106 CG GLU A 23 -0.543 6.495 9.790 1.00 0.00 C ATOM 107 CD GLU A 23 -0.595 6.905 11.263 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.417 7.743 11.596 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.190 6.376 12.033 1.00 0.00 O ATOM 0 H GLU A 23 -3.687 7.012 7.597 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.846 7.714 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.986 8.048 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.656 6.429 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.494 5.409 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.358 6.892 9.323 1.00 0.00 H new ATOM 116 N LYS A 24 -1.810 4.733 6.613 1.00 0.00 N ATOM 117 CA LYS A 24 -1.293 3.401 6.193 1.00 0.00 C ATOM 118 C LYS A 24 -0.351 3.584 4.999 1.00 0.00 C ATOM 119 O LYS A 24 0.753 3.077 4.988 1.00 0.00 O ATOM 120 CB LYS A 24 -2.528 2.573 5.816 1.00 0.00 C ATOM 121 CG LYS A 24 -3.066 3.013 4.453 1.00 0.00 C ATOM 122 CD LYS A 24 -4.326 2.214 4.119 1.00 0.00 C ATOM 123 CE LYS A 24 -3.934 0.908 3.425 1.00 0.00 C ATOM 124 NZ LYS A 24 -4.070 -0.141 4.474 1.00 0.00 N ATOM 0 H LYS A 24 -2.804 4.891 6.446 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.726 2.900 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.270 1.514 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.301 2.693 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.292 4.079 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.309 2.857 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.886 2.000 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.980 2.799 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.584 0.702 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.914 0.955 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.313 -0.845 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.998 0.297 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.994 -0.609 4.380 1.00 0.00 H new ATOM 138 N LEU A 25 -0.757 4.336 4.010 1.00 0.00 N ATOM 139 CA LEU A 25 0.143 4.569 2.849 1.00 0.00 C ATOM 140 C LEU A 25 1.265 5.500 3.294 1.00 0.00 C ATOM 141 O LEU A 25 2.427 5.194 3.154 1.00 0.00 O ATOM 142 CB LEU A 25 -0.719 5.243 1.782 1.00 0.00 C ATOM 143 CG LEU A 25 -1.980 4.414 1.516 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.603 4.862 0.199 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.625 2.931 1.406 1.00 0.00 C ATOM 0 H LEU A 25 -1.667 4.795 3.958 1.00 0.00 H new ATOM 0 HA LEU A 25 0.587 3.651 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.997 6.245 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.148 5.355 0.860 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.679 4.560 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.501 4.276 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.865 5.918 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.889 4.713 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.530 2.353 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.923 2.785 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.169 2.596 2.337 1.00 0.00 H new ATOM 157 N ASN A 26 0.924 6.628 3.854 1.00 0.00 N ATOM 158 CA ASN A 26 1.980 7.557 4.332 1.00 0.00 C ATOM 159 C ASN A 26 3.037 6.753 5.089 1.00 0.00 C ATOM 160 O ASN A 26 4.219 6.988 4.963 1.00 0.00 O ATOM 161 CB ASN A 26 1.263 8.532 5.267 1.00 0.00 C ATOM 162 CG ASN A 26 0.582 9.622 4.438 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.158 10.137 3.500 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.629 10.000 4.746 1.00 0.00 N ATOM 0 H ASN A 26 -0.035 6.943 4.000 1.00 0.00 H new ATOM 0 HA ASN A 26 2.483 8.087 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.524 8.001 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.975 8.979 5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.091 10.727 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.113 9.568 5.533 1.00 0.00 H new ATOM 171 N GLN A 27 2.609 5.785 5.855 1.00 0.00 N ATOM 172 CA GLN A 27 3.577 4.942 6.608 1.00 0.00 C ATOM 173 C GLN A 27 4.342 4.053 5.628 1.00 0.00 C ATOM 174 O GLN A 27 5.534 3.862 5.750 1.00 0.00 O ATOM 175 CB GLN A 27 2.720 4.099 7.552 1.00 0.00 C ATOM 176 CG GLN A 27 2.531 4.853 8.870 1.00 0.00 C ATOM 177 CD GLN A 27 2.296 3.851 10.001 1.00 0.00 C ATOM 178 OE1 GLN A 27 2.910 3.943 11.046 1.00 0.00 O ATOM 179 NE2 GLN A 27 1.430 2.889 9.837 1.00 0.00 N ATOM 0 H GLN A 27 1.628 5.543 5.991 1.00 0.00 H new ATOM 0 HA GLN A 27 4.313 5.529 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.752 3.892 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.199 3.137 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.411 5.459 9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.685 5.536 8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.914 2.811 8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.269 2.215 10.585 1.00 0.00 H new ATOM 188 N LEU A 28 3.662 3.517 4.651 1.00 0.00 N ATOM 189 CA LEU A 28 4.347 2.655 3.646 1.00 0.00 C ATOM 190 C LEU A 28 5.400 3.473 2.902 1.00 0.00 C ATOM 191 O LEU A 28 6.580 3.238 3.011 1.00 0.00 O ATOM 192 CB LEU A 28 3.237 2.227 2.684 1.00 0.00 C ATOM 193 CG LEU A 28 2.400 1.116 3.312 1.00 0.00 C ATOM 194 CD1 LEU A 28 1.444 0.551 2.262 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.322 0.006 3.818 1.00 0.00 C ATOM 0 H LEU A 28 2.660 3.639 4.505 1.00 0.00 H new ATOM 0 HA LEU A 28 4.853 1.802 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.603 3.081 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.671 1.880 1.746 1.00 0.00 H new ATOM 0 HG LEU A 28 1.827 1.517 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.844 -0.243 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.788 1.344 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.017 0.149 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.724 -0.787 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.895 -0.399 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.005 0.412 4.565 1.00 0.00 H new ATOM 207 N TRP A 29 4.969 4.434 2.143 1.00 0.00 N ATOM 208 CA TRP A 29 5.916 5.290 1.384 1.00 0.00 C ATOM 209 C TRP A 29 7.008 5.842 2.313 1.00 0.00 C ATOM 210 O TRP A 29 8.190 5.639 2.089 1.00 0.00 O ATOM 211 CB TRP A 29 5.011 6.399 0.859 1.00 0.00 C ATOM 212 CG TRP A 29 5.788 7.387 0.066 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.800 8.715 0.296 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.631 7.158 -1.094 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.611 9.324 -0.642 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.148 8.402 -1.523 1.00 0.00 C ATOM 217 CE3 TRP A 29 6.997 6.003 -1.804 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.000 8.495 -2.623 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.852 6.091 -2.911 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.352 7.334 -3.319 1.00 0.00 C ATOM 0 H TRP A 29 3.985 4.667 2.014 1.00 0.00 H new ATOM 0 HA TRP A 29 6.451 4.766 0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.223 5.969 0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.522 6.901 1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.263 9.221 1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.791 10.327 -0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.617 5.040 -1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.385 9.455 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.126 5.197 -3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.011 7.396 -4.173 1.00 0.00 H new ATOM 231 N GLU A 30 6.629 6.535 3.354 1.00 0.00 N ATOM 232 CA GLU A 30 7.650 7.090 4.284 1.00 0.00 C ATOM 233 C GLU A 30 8.576 5.978 4.779 1.00 0.00 C ATOM 234 O GLU A 30 9.750 6.192 4.999 1.00 0.00 O ATOM 235 CB GLU A 30 6.864 7.692 5.448 1.00 0.00 C ATOM 236 CG GLU A 30 6.190 8.987 4.990 1.00 0.00 C ATOM 237 CD GLU A 30 5.936 9.889 6.200 1.00 0.00 C ATOM 238 OE1 GLU A 30 5.505 9.374 7.217 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.177 11.080 6.087 1.00 0.00 O ATOM 0 H GLU A 30 5.660 6.739 3.598 1.00 0.00 H new ATOM 0 HA GLU A 30 8.278 7.836 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.114 6.984 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.531 7.893 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.822 9.502 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.249 8.761 4.488 1.00 0.00 H new ATOM 246 N LYS A 31 8.066 4.785 4.938 1.00 0.00 N ATOM 247 CA LYS A 31 8.933 3.663 5.397 1.00 0.00 C ATOM 248 C LYS A 31 9.970 3.394 4.309 1.00 0.00 C ATOM 249 O LYS A 31 11.156 3.273 4.565 1.00 0.00 O ATOM 250 CB LYS A 31 7.967 2.489 5.577 1.00 0.00 C ATOM 251 CG LYS A 31 8.697 1.152 5.479 1.00 0.00 C ATOM 252 CD LYS A 31 8.689 0.478 6.847 1.00 0.00 C ATOM 253 CE LYS A 31 10.060 0.648 7.488 1.00 0.00 C ATOM 254 NZ LYS A 31 10.000 -0.150 8.746 1.00 0.00 N ATOM 0 H LYS A 31 7.090 4.541 4.770 1.00 0.00 H new ATOM 0 HA LYS A 31 9.479 3.857 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.473 2.566 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.187 2.537 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.212 0.512 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.722 1.307 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.919 0.919 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.449 -0.580 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.851 0.288 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.271 1.697 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.910 -0.082 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.243 0.220 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.805 -1.145 8.517 1.00 0.00 H new ATOM 268 N ALA A 32 9.527 3.337 3.087 1.00 0.00 N ATOM 269 CA ALA A 32 10.470 3.125 1.969 1.00 0.00 C ATOM 270 C ALA A 32 11.573 4.174 2.077 1.00 0.00 C ATOM 271 O ALA A 32 12.744 3.887 1.924 1.00 0.00 O ATOM 272 CB ALA A 32 9.637 3.341 0.705 1.00 0.00 C ATOM 0 H ALA A 32 8.547 3.429 2.818 1.00 0.00 H new ATOM 0 HA ALA A 32 10.936 2.140 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.266 3.201 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.817 2.623 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.233 4.353 0.704 1.00 0.00 H new ATOM 278 N GLN A 33 11.195 5.394 2.364 1.00 0.00 N ATOM 279 CA GLN A 33 12.211 6.473 2.512 1.00 0.00 C ATOM 280 C GLN A 33 13.070 6.190 3.744 1.00 0.00 C ATOM 281 O GLN A 33 14.238 6.518 3.790 1.00 0.00 O ATOM 282 CB GLN A 33 11.406 7.758 2.693 1.00 0.00 C ATOM 283 CG GLN A 33 10.626 8.045 1.412 1.00 0.00 C ATOM 284 CD GLN A 33 9.655 9.200 1.649 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.484 9.165 1.082 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 9.964 10.139 2.357 1.00 0.00 N flip ATOM 0 H GLN A 33 10.228 5.687 2.502 1.00 0.00 H new ATOM 0 HA GLN A 33 12.882 6.544 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.721 7.657 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.072 8.590 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.314 8.295 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.079 7.155 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.883 10.163 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.305 10.902 2.508 1.00 0.00 H new ATOM 295 N ARG A 34 12.500 5.562 4.740 1.00 0.00 N ATOM 296 CA ARG A 34 13.288 5.232 5.958 1.00 0.00 C ATOM 297 C ARG A 34 14.419 4.284 5.563 1.00 0.00 C ATOM 298 O ARG A 34 15.523 4.371 6.063 1.00 0.00 O ATOM 299 CB ARG A 34 12.303 4.542 6.906 1.00 0.00 C ATOM 300 CG ARG A 34 12.811 4.665 8.345 1.00 0.00 C ATOM 301 CD ARG A 34 11.885 3.888 9.283 1.00 0.00 C ATOM 302 NE ARG A 34 10.655 4.720 9.381 1.00 0.00 N ATOM 303 CZ ARG A 34 10.535 5.598 10.339 1.00 0.00 C ATOM 304 NH1 ARG A 34 10.923 5.301 11.550 1.00 0.00 N ATOM 305 NH2 ARG A 34 10.027 6.773 10.085 1.00 0.00 N ATOM 0 H ARG A 34 11.524 5.265 4.760 1.00 0.00 H new ATOM 0 HA ARG A 34 13.734 6.107 6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.316 4.997 6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.196 3.492 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.827 4.277 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.848 5.714 8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.662 2.897 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.344 3.744 10.261 1.00 0.00 H new ATOM 0 HE ARG A 34 9.905 4.604 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.320 4.382 11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.829 5.988 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.724 7.004 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.933 7.460 10.833 1.00 0.00 H new ATOM 319 N LEU A 35 14.149 3.388 4.650 1.00 0.00 N ATOM 320 CA LEU A 35 15.210 2.442 4.194 1.00 0.00 C ATOM 321 C LEU A 35 16.036 3.085 3.071 1.00 0.00 C ATOM 322 O LEU A 35 17.015 2.533 2.612 1.00 0.00 O ATOM 323 CB LEU A 35 14.455 1.222 3.673 1.00 0.00 C ATOM 324 CG LEU A 35 13.738 0.537 4.835 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.228 0.599 4.609 1.00 0.00 C ATOM 326 CD2 LEU A 35 14.185 -0.924 4.917 1.00 0.00 C ATOM 0 H LEU A 35 13.241 3.270 4.201 1.00 0.00 H new ATOM 0 HA LEU A 35 15.904 2.179 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.734 1.524 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.147 0.527 3.198 1.00 0.00 H new ATOM 0 HG LEU A 35 13.985 1.045 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.716 0.110 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.911 1.640 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.978 0.091 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.675 -1.415 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.937 -1.433 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.262 -0.966 5.078 1.00 0.00 H new ATOM 338 N HIS A 36 15.640 4.254 2.638 1.00 0.00 N ATOM 339 CA HIS A 36 16.382 4.972 1.555 1.00 0.00 C ATOM 340 C HIS A 36 16.386 4.183 0.242 1.00 0.00 C ATOM 341 O HIS A 36 17.407 4.060 -0.405 1.00 0.00 O ATOM 342 CB HIS A 36 17.810 5.143 2.079 1.00 0.00 C ATOM 343 CG HIS A 36 17.792 6.034 3.287 1.00 0.00 C ATOM 344 ND1 HIS A 36 16.897 6.156 4.317 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 18.791 6.960 3.541 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 17.329 7.142 5.200 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 18.475 7.594 4.684 1.00 0.00 N flip ATOM 0 H HIS A 36 14.822 4.750 2.993 1.00 0.00 H new ATOM 0 HA HIS A 36 15.907 5.927 1.329 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.234 4.172 2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.445 5.574 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.664 7.140 2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.842 7.470 6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.041 8.330 5.105 1.00 0.00 H new ATOM 355 N LEU A 37 15.259 3.678 -0.185 1.00 0.00 N ATOM 356 CA LEU A 37 15.241 2.943 -1.482 1.00 0.00 C ATOM 357 C LEU A 37 15.792 3.866 -2.571 1.00 0.00 C ATOM 358 O LEU A 37 15.854 5.064 -2.382 1.00 0.00 O ATOM 359 CB LEU A 37 13.767 2.652 -1.772 1.00 0.00 C ATOM 360 CG LEU A 37 13.217 1.588 -0.820 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.725 1.413 -1.095 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.919 0.251 -1.062 1.00 0.00 C ATOM 0 H LEU A 37 14.364 3.741 0.300 1.00 0.00 H new ATOM 0 HA LEU A 37 15.836 2.030 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.186 3.569 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.656 2.315 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 37 13.387 1.903 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.318 0.657 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.211 2.360 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.580 1.097 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.520 -0.499 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.749 -0.068 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.989 0.365 -0.889 1.00 0.00 H new ATOM 374 N PRO A 38 16.144 3.297 -3.689 1.00 0.00 N ATOM 375 CA PRO A 38 16.648 4.121 -4.807 1.00 0.00 C ATOM 376 C PRO A 38 15.471 4.890 -5.409 1.00 0.00 C ATOM 377 O PRO A 38 14.341 4.689 -5.011 1.00 0.00 O ATOM 378 CB PRO A 38 17.220 3.096 -5.785 1.00 0.00 C ATOM 379 CG PRO A 38 16.500 1.823 -5.480 1.00 0.00 C ATOM 380 CD PRO A 38 16.111 1.871 -4.020 1.00 0.00 C ATOM 0 HA PRO A 38 17.398 4.860 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.057 3.403 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.296 2.982 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.617 1.719 -6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.138 0.962 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.120 1.447 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.807 1.302 -3.403 1.00 0.00 H new ATOM 388 N PRO A 39 15.762 5.752 -6.338 1.00 0.00 N ATOM 389 CA PRO A 39 14.693 6.558 -6.976 1.00 0.00 C ATOM 390 C PRO A 39 13.776 5.662 -7.815 1.00 0.00 C ATOM 391 O PRO A 39 12.576 5.855 -7.861 1.00 0.00 O ATOM 392 CB PRO A 39 15.465 7.547 -7.843 1.00 0.00 C ATOM 393 CG PRO A 39 16.777 6.881 -8.105 1.00 0.00 C ATOM 394 CD PRO A 39 17.087 6.057 -6.883 1.00 0.00 C ATOM 0 HA PRO A 39 14.038 7.058 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.935 7.756 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.600 8.500 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.723 6.252 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.559 7.619 -8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.636 5.150 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.698 6.610 -6.169 1.00 0.00 H new ATOM 402 N VAL A 40 14.328 4.677 -8.466 1.00 0.00 N ATOM 403 CA VAL A 40 13.483 3.764 -9.286 1.00 0.00 C ATOM 404 C VAL A 40 12.512 3.001 -8.384 1.00 0.00 C ATOM 405 O VAL A 40 11.353 2.819 -8.703 1.00 0.00 O ATOM 406 CB VAL A 40 14.470 2.796 -9.936 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.999 1.815 -8.883 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.761 2.018 -11.044 1.00 0.00 C ATOM 0 H VAL A 40 15.326 4.464 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 40 12.886 4.301 -10.024 1.00 0.00 H new ATOM 0 HB VAL A 40 15.304 3.357 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.703 1.126 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.504 2.368 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.167 1.253 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.463 1.326 -11.510 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.928 1.458 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.386 2.714 -11.794 1.00 0.00 H new ATOM 418 N ARG A 41 12.991 2.547 -7.260 1.00 0.00 N ATOM 419 CA ARG A 41 12.130 1.785 -6.320 1.00 0.00 C ATOM 420 C ARG A 41 11.132 2.716 -5.641 1.00 0.00 C ATOM 421 O ARG A 41 10.029 2.327 -5.326 1.00 0.00 O ATOM 422 CB ARG A 41 13.110 1.222 -5.306 1.00 0.00 C ATOM 423 CG ARG A 41 13.496 -0.196 -5.708 1.00 0.00 C ATOM 424 CD ARG A 41 13.150 -1.149 -4.573 1.00 0.00 C ATOM 425 NE ARG A 41 14.280 -1.019 -3.614 1.00 0.00 N ATOM 426 CZ ARG A 41 14.952 -2.076 -3.242 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.322 -3.179 -2.939 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.255 -2.028 -3.174 1.00 0.00 N ATOM 0 H ARG A 41 13.955 2.674 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 41 11.543 1.011 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.998 1.852 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.662 1.221 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.968 -0.486 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.562 -0.247 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.202 -0.882 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.051 -2.173 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 41 14.531 -0.102 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.304 -3.216 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.848 -4.003 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.747 -1.166 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.781 -2.852 -2.884 1.00 0.00 H new ATOM 442 N LEU A 42 11.506 3.942 -5.419 1.00 0.00 N ATOM 443 CA LEU A 42 10.564 4.893 -4.770 1.00 0.00 C ATOM 444 C LEU A 42 9.546 5.354 -5.806 1.00 0.00 C ATOM 445 O LEU A 42 8.448 5.756 -5.481 1.00 0.00 O ATOM 446 CB LEU A 42 11.428 6.063 -4.309 1.00 0.00 C ATOM 447 CG LEU A 42 12.361 5.605 -3.192 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.529 6.586 -3.088 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.592 5.582 -1.869 1.00 0.00 C ATOM 0 H LEU A 42 12.420 4.327 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 42 10.019 4.452 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.009 6.450 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.796 6.878 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 42 12.738 4.606 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.202 6.267 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.071 6.609 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.148 7.583 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.255 5.255 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.220 6.582 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.752 4.892 -1.948 1.00 0.00 H new ATOM 461 N ALA A 43 9.903 5.287 -7.058 1.00 0.00 N ATOM 462 CA ALA A 43 8.950 5.703 -8.122 1.00 0.00 C ATOM 463 C ALA A 43 7.922 4.592 -8.338 1.00 0.00 C ATOM 464 O ALA A 43 6.728 4.820 -8.300 1.00 0.00 O ATOM 465 CB ALA A 43 9.804 5.902 -9.373 1.00 0.00 C ATOM 0 H ALA A 43 10.812 4.963 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 43 8.403 6.611 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.168 6.211 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.553 6.671 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.302 4.966 -9.626 1.00 0.00 H new ATOM 471 N GLU A 44 8.375 3.382 -8.541 1.00 0.00 N ATOM 472 CA GLU A 44 7.416 2.261 -8.732 1.00 0.00 C ATOM 473 C GLU A 44 6.652 2.036 -7.428 1.00 0.00 C ATOM 474 O GLU A 44 5.465 1.773 -7.425 1.00 0.00 O ATOM 475 CB GLU A 44 8.280 1.049 -9.080 1.00 0.00 C ATOM 476 CG GLU A 44 8.899 1.250 -10.465 1.00 0.00 C ATOM 477 CD GLU A 44 8.325 0.219 -11.438 1.00 0.00 C ATOM 478 OE1 GLU A 44 7.983 -0.863 -10.990 1.00 0.00 O ATOM 479 OE2 GLU A 44 8.238 0.529 -12.614 1.00 0.00 O ATOM 0 H GLU A 44 9.361 3.126 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 44 6.681 2.454 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.064 0.921 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.676 0.142 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.692 2.258 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.983 1.148 -10.408 1.00 0.00 H new ATOM 486 N LEU A 45 7.321 2.172 -6.314 1.00 0.00 N ATOM 487 CA LEU A 45 6.628 2.003 -5.008 1.00 0.00 C ATOM 488 C LEU A 45 5.563 3.084 -4.890 1.00 0.00 C ATOM 489 O LEU A 45 4.426 2.815 -4.578 1.00 0.00 O ATOM 490 CB LEU A 45 7.715 2.189 -3.943 1.00 0.00 C ATOM 491 CG LEU A 45 7.083 2.562 -2.593 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.416 1.333 -1.965 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.177 3.068 -1.656 1.00 0.00 C ATOM 0 H LEU A 45 8.315 2.392 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 45 6.141 1.034 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.293 1.271 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.409 2.969 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 45 6.331 3.336 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.972 1.609 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.639 0.960 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.163 0.555 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.738 3.335 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.921 2.285 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.654 3.945 -2.094 1.00 0.00 H new ATOM 505 N HIS A 46 5.925 4.310 -5.156 1.00 0.00 N ATOM 506 CA HIS A 46 4.928 5.411 -5.073 1.00 0.00 C ATOM 507 C HIS A 46 3.762 5.121 -6.012 1.00 0.00 C ATOM 508 O HIS A 46 2.629 5.423 -5.715 1.00 0.00 O ATOM 509 CB HIS A 46 5.664 6.674 -5.515 1.00 0.00 C ATOM 510 CG HIS A 46 4.847 7.871 -5.115 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.935 8.721 -4.044 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.756 8.303 -5.853 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 3.917 9.667 -4.109 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.234 9.368 -5.218 1.00 0.00 N flip ATOM 0 H HIS A 46 6.866 4.595 -5.426 1.00 0.00 H new ATOM 0 HA HIS A 46 4.522 5.519 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.650 6.718 -5.053 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.817 6.664 -6.594 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.641 8.668 -3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.392 7.865 -6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.721 10.470 -3.413 1.00 0.00 H new ATOM 522 N ALA A 47 4.029 4.530 -7.144 1.00 0.00 N ATOM 523 CA ALA A 47 2.923 4.215 -8.088 1.00 0.00 C ATOM 524 C ALA A 47 2.029 3.132 -7.479 1.00 0.00 C ATOM 525 O ALA A 47 0.821 3.143 -7.631 1.00 0.00 O ATOM 526 CB ALA A 47 3.613 3.698 -9.352 1.00 0.00 C ATOM 0 H ALA A 47 4.961 4.253 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 47 2.292 5.078 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.861 3.443 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.272 4.471 -9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.199 2.811 -9.110 1.00 0.00 H new ATOM 532 N ASP A 48 2.620 2.200 -6.781 1.00 0.00 N ATOM 533 CA ASP A 48 1.819 1.114 -6.151 1.00 0.00 C ATOM 534 C ASP A 48 1.028 1.664 -4.962 1.00 0.00 C ATOM 535 O ASP A 48 -0.056 1.203 -4.662 1.00 0.00 O ATOM 536 CB ASP A 48 2.849 0.086 -5.685 1.00 0.00 C ATOM 537 CG ASP A 48 3.759 -0.291 -6.855 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.445 0.089 -7.971 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.755 -0.952 -6.614 1.00 0.00 O ATOM 0 H ASP A 48 3.626 2.145 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 48 1.093 0.680 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.442 0.495 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.345 -0.801 -5.302 1.00 0.00 H new ATOM 544 N LEU A 49 1.549 2.654 -4.288 1.00 0.00 N ATOM 545 CA LEU A 49 0.814 3.235 -3.137 1.00 0.00 C ATOM 546 C LEU A 49 -0.284 4.138 -3.662 1.00 0.00 C ATOM 547 O LEU A 49 -1.338 4.250 -3.080 1.00 0.00 O ATOM 548 CB LEU A 49 1.846 4.054 -2.369 1.00 0.00 C ATOM 549 CG LEU A 49 2.978 3.142 -1.918 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.016 3.958 -1.151 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.413 2.048 -1.017 1.00 0.00 C ATOM 0 H LEU A 49 2.453 3.083 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 49 0.356 2.476 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.236 4.852 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.381 4.529 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 49 3.452 2.687 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.826 3.304 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.415 4.739 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.548 4.414 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.220 1.392 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.940 2.502 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.674 1.467 -1.569 1.00 0.00 H new ATOM 563 N LYS A 50 -0.039 4.781 -4.767 1.00 0.00 N ATOM 564 CA LYS A 50 -1.071 5.674 -5.342 1.00 0.00 C ATOM 565 C LYS A 50 -2.233 4.819 -5.822 1.00 0.00 C ATOM 566 O LYS A 50 -3.377 5.085 -5.526 1.00 0.00 O ATOM 567 CB LYS A 50 -0.398 6.380 -6.521 1.00 0.00 C ATOM 568 CG LYS A 50 0.493 7.523 -6.021 1.00 0.00 C ATOM 569 CD LYS A 50 -0.247 8.353 -4.968 1.00 0.00 C ATOM 570 CE LYS A 50 -1.662 8.671 -5.458 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.787 10.149 -5.331 1.00 0.00 N ATOM 0 H LYS A 50 0.832 4.725 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.454 6.399 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.199 5.666 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.156 6.771 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.411 7.118 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.783 8.159 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.293 7.805 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.296 9.278 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.805 8.349 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.413 8.158 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.732 10.446 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.653 10.425 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.064 10.610 -5.919 1.00 0.00 H new ATOM 585 N ILE A 51 -1.946 3.772 -6.546 1.00 0.00 N ATOM 586 CA ILE A 51 -3.041 2.888 -7.016 1.00 0.00 C ATOM 587 C ILE A 51 -3.705 2.241 -5.804 1.00 0.00 C ATOM 588 O ILE A 51 -4.913 2.122 -5.733 1.00 0.00 O ATOM 589 CB ILE A 51 -2.359 1.839 -7.890 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.781 2.513 -9.140 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.381 0.778 -8.302 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.807 3.487 -9.728 1.00 0.00 C ATOM 0 H ILE A 51 -1.006 3.495 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.814 3.419 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.552 1.365 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.865 3.046 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.516 1.759 -9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.895 0.028 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.788 0.300 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.189 1.249 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.390 3.963 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.712 2.943 -9.999 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.050 4.250 -8.988 1.00 0.00 H new ATOM 604 N GLN A 52 -2.924 1.845 -4.832 1.00 0.00 N ATOM 605 CA GLN A 52 -3.517 1.234 -3.614 1.00 0.00 C ATOM 606 C GLN A 52 -4.266 2.317 -2.840 1.00 0.00 C ATOM 607 O GLN A 52 -5.159 2.040 -2.065 1.00 0.00 O ATOM 608 CB GLN A 52 -2.322 0.709 -2.805 1.00 0.00 C ATOM 609 CG GLN A 52 -2.823 0.028 -1.531 1.00 0.00 C ATOM 610 CD GLN A 52 -3.825 -1.066 -1.894 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.703 -1.447 -1.008 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.811 -1.579 -2.995 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.907 1.919 -4.832 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.223 0.434 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.746 0.003 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.653 1.531 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.985 -0.401 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.292 0.761 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.124 -1.281 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.486 -2.308 -3.227 1.00 0.00 H new ATOM 621 N GLU A 53 -3.916 3.557 -3.066 1.00 0.00 N ATOM 622 CA GLU A 53 -4.614 4.665 -2.363 1.00 0.00 C ATOM 623 C GLU A 53 -5.999 4.843 -2.971 1.00 0.00 C ATOM 624 O GLU A 53 -6.997 4.691 -2.306 1.00 0.00 O ATOM 625 CB GLU A 53 -3.762 5.908 -2.606 1.00 0.00 C ATOM 626 CG GLU A 53 -4.150 6.989 -1.598 1.00 0.00 C ATOM 627 CD GLU A 53 -3.919 8.369 -2.216 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.675 8.734 -3.102 1.00 0.00 O ATOM 629 OE2 GLU A 53 -2.994 9.039 -1.791 1.00 0.00 O ATOM 0 H GLU A 53 -3.177 3.846 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.736 4.473 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.704 5.664 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.910 6.272 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.196 6.877 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.559 6.882 -0.689 1.00 0.00 H new ATOM 636 N ARG A 54 -6.066 5.149 -4.237 1.00 0.00 N ATOM 637 CA ARG A 54 -7.392 5.316 -4.890 1.00 0.00 C ATOM 638 C ARG A 54 -8.231 4.065 -4.632 1.00 0.00 C ATOM 639 O ARG A 54 -9.414 4.135 -4.362 1.00 0.00 O ATOM 640 CB ARG A 54 -7.083 5.460 -6.382 1.00 0.00 C ATOM 641 CG ARG A 54 -8.386 5.404 -7.182 1.00 0.00 C ATOM 642 CD ARG A 54 -8.287 4.306 -8.243 1.00 0.00 C ATOM 643 NE ARG A 54 -7.509 4.917 -9.356 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.169 4.193 -10.385 1.00 0.00 C ATOM 645 NH1 ARG A 54 -6.711 2.984 -10.208 1.00 0.00 N ATOM 646 NH2 ARG A 54 -7.286 4.677 -11.591 1.00 0.00 N ATOM 0 H ARG A 54 -5.260 5.290 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.950 6.174 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.570 6.403 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.412 4.663 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.226 5.206 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.575 6.367 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.786 3.421 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.275 3.991 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.243 5.901 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.619 2.606 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.445 2.417 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.644 5.622 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.020 4.110 -12.396 1.00 0.00 H new ATOM 660 N ASP A 55 -7.610 2.918 -4.706 1.00 0.00 N ATOM 661 CA ASP A 55 -8.342 1.645 -4.461 1.00 0.00 C ATOM 662 C ASP A 55 -8.708 1.527 -2.982 1.00 0.00 C ATOM 663 O ASP A 55 -9.689 0.907 -2.619 1.00 0.00 O ATOM 664 CB ASP A 55 -7.345 0.552 -4.849 1.00 0.00 C ATOM 665 CG ASP A 55 -7.145 0.560 -6.366 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.658 1.464 -7.006 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.483 -0.337 -6.862 1.00 0.00 O ATOM 0 H ASP A 55 -6.620 2.810 -4.927 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.272 1.580 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.393 0.718 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.712 -0.422 -4.525 1.00 0.00 H new ATOM 672 N GLU A 56 -7.913 2.107 -2.126 1.00 0.00 N ATOM 673 CA GLU A 56 -8.196 2.015 -0.667 1.00 0.00 C ATOM 674 C GLU A 56 -9.290 2.995 -0.243 1.00 0.00 C ATOM 675 O GLU A 56 -10.025 2.730 0.674 1.00 0.00 O ATOM 676 CB GLU A 56 -6.876 2.354 0.020 1.00 0.00 C ATOM 677 CG GLU A 56 -6.089 1.065 0.266 1.00 0.00 C ATOM 678 CD GLU A 56 -6.674 0.336 1.476 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.271 0.998 2.310 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.518 -0.872 1.548 1.00 0.00 O ATOM 0 H GLU A 56 -7.080 2.641 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.560 1.024 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.295 3.036 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.065 2.864 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.134 0.425 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.038 1.295 0.439 1.00 0.00 H new ATOM 687 N LEU A 57 -9.432 4.111 -0.899 1.00 0.00 N ATOM 688 CA LEU A 57 -10.515 5.047 -0.497 1.00 0.00 C ATOM 689 C LEU A 57 -11.796 4.567 -1.156 1.00 0.00 C ATOM 690 O LEU A 57 -12.831 4.424 -0.530 1.00 0.00 O ATOM 691 CB LEU A 57 -10.134 6.428 -1.038 1.00 0.00 C ATOM 692 CG LEU A 57 -8.633 6.679 -0.885 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.083 7.171 -2.220 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.404 7.749 0.184 1.00 0.00 C ATOM 0 H LEU A 57 -8.855 4.412 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.651 5.092 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.414 6.501 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.692 7.198 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.128 5.760 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.013 7.355 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.256 6.415 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.587 8.096 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.335 7.930 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.899 8.673 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.815 7.408 1.134 1.00 0.00 H new ATOM 706 N ALA A 58 -11.714 4.284 -2.424 1.00 0.00 N ATOM 707 CA ALA A 58 -12.903 3.777 -3.140 1.00 0.00 C ATOM 708 C ALA A 58 -13.395 2.528 -2.422 1.00 0.00 C ATOM 709 O ALA A 58 -14.573 2.369 -2.142 1.00 0.00 O ATOM 710 CB ALA A 58 -12.411 3.443 -4.547 1.00 0.00 C ATOM 0 H ALA A 58 -10.872 4.384 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.726 4.490 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.240 3.059 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.014 4.343 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.627 2.688 -4.489 1.00 0.00 H new ATOM 716 N TRP A 59 -12.502 1.640 -2.089 1.00 0.00 N ATOM 717 CA TRP A 59 -12.947 0.435 -1.369 1.00 0.00 C ATOM 718 C TRP A 59 -13.344 0.819 0.056 1.00 0.00 C ATOM 719 O TRP A 59 -14.274 0.285 0.613 1.00 0.00 O ATOM 720 CB TRP A 59 -11.771 -0.529 -1.346 1.00 0.00 C ATOM 721 CG TRP A 59 -12.114 -1.609 -0.382 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.788 -2.739 -0.691 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.867 -1.650 1.050 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.960 -3.482 0.462 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.402 -2.855 1.563 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.226 -0.769 1.945 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.306 -3.176 2.917 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.131 -1.088 3.306 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.668 -2.289 3.790 1.00 0.00 C ATOM 0 H TRP A 59 -11.503 1.701 -2.283 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.808 -0.025 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.590 -0.941 -2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.858 -0.017 -1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.135 -3.016 -1.676 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.439 -4.382 0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.806 0.156 1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.721 -4.102 3.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.642 -0.406 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.589 -2.530 4.840 1.00 0.00 H new ATOM 740 N LYS A 60 -12.671 1.753 0.663 1.00 0.00 N ATOM 741 CA LYS A 60 -13.094 2.133 2.036 1.00 0.00 C ATOM 742 C LYS A 60 -14.590 2.402 1.958 1.00 0.00 C ATOM 743 O LYS A 60 -15.354 2.047 2.835 1.00 0.00 O ATOM 744 CB LYS A 60 -12.302 3.385 2.396 1.00 0.00 C ATOM 745 CG LYS A 60 -10.969 2.971 3.022 1.00 0.00 C ATOM 746 CD LYS A 60 -11.179 2.620 4.488 1.00 0.00 C ATOM 747 CE LYS A 60 -10.482 3.663 5.360 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.100 2.931 6.599 1.00 0.00 N ATOM 0 H LYS A 60 -11.870 2.257 0.282 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.911 1.372 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.128 3.989 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.869 4.002 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.556 2.115 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.246 3.782 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.244 2.590 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.779 1.628 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.606 4.076 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.145 4.499 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.615 3.581 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.954 2.555 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.463 2.145 6.356 1.00 0.00 H new ATOM 762 N LYS A 61 -15.017 2.955 0.851 1.00 0.00 N ATOM 763 CA LYS A 61 -16.470 3.165 0.652 1.00 0.00 C ATOM 764 C LYS A 61 -17.100 1.781 0.481 1.00 0.00 C ATOM 765 O LYS A 61 -18.134 1.485 1.040 1.00 0.00 O ATOM 766 CB LYS A 61 -16.595 3.998 -0.624 1.00 0.00 C ATOM 767 CG LYS A 61 -16.759 5.474 -0.253 1.00 0.00 C ATOM 768 CD LYS A 61 -17.923 6.078 -1.041 1.00 0.00 C ATOM 769 CE LYS A 61 -17.402 7.197 -1.944 1.00 0.00 C ATOM 770 NZ LYS A 61 -18.373 8.312 -1.775 1.00 0.00 N ATOM 0 H LYS A 61 -14.421 3.266 0.084 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.966 3.675 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.711 3.864 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.451 3.661 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.942 5.572 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.840 6.018 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.408 5.308 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.675 6.469 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.396 7.502 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.350 6.873 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.082 9.118 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.320 7.995 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.396 8.604 -0.777 1.00 0.00 H new ATOM 784 N LEU A 62 -16.453 0.914 -0.268 1.00 0.00 N ATOM 785 CA LEU A 62 -16.996 -0.472 -0.440 1.00 0.00 C ATOM 786 C LEU A 62 -17.375 -1.041 0.934 1.00 0.00 C ATOM 787 O LEU A 62 -18.528 -1.274 1.230 1.00 0.00 O ATOM 788 CB LEU A 62 -15.848 -1.309 -1.036 1.00 0.00 C ATOM 789 CG LEU A 62 -15.929 -1.380 -2.566 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.770 -2.587 -2.968 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.543 -0.097 -3.135 1.00 0.00 C ATOM 0 H LEU A 62 -15.581 1.105 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 62 -17.879 -0.483 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.892 -0.876 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.881 -2.317 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.923 -1.483 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.831 -2.642 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.308 -3.496 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.773 -2.486 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.591 -0.168 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.548 0.034 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.927 0.757 -2.854 1.00 0.00 H new ATOM 803 N LYS A 63 -16.391 -1.265 1.766 1.00 0.00 N ATOM 804 CA LYS A 63 -16.634 -1.823 3.127 1.00 0.00 C ATOM 805 C LYS A 63 -17.675 -1.000 3.894 1.00 0.00 C ATOM 806 O LYS A 63 -18.695 -1.509 4.313 1.00 0.00 O ATOM 807 CB LYS A 63 -15.275 -1.717 3.817 1.00 0.00 C ATOM 808 CG LYS A 63 -15.208 -2.705 4.981 1.00 0.00 C ATOM 809 CD LYS A 63 -15.726 -2.030 6.252 1.00 0.00 C ATOM 810 CE LYS A 63 -14.677 -2.153 7.362 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.909 -3.493 7.977 1.00 0.00 N ATOM 0 H LYS A 63 -15.411 -1.080 1.554 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.022 -2.841 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.477 -1.926 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.119 -0.701 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.805 -3.589 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.182 -3.042 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.942 -0.980 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.660 -2.494 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.667 -2.075 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.789 -1.357 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.225 -3.645 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.875 -3.537 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.788 -4.232 7.255 1.00 0.00 H new ATOM 825 N LEU A 64 -17.416 0.261 4.100 1.00 0.00 N ATOM 826 CA LEU A 64 -18.383 1.108 4.860 1.00 0.00 C ATOM 827 C LEU A 64 -19.817 0.855 4.385 1.00 0.00 C ATOM 828 O LEU A 64 -20.751 0.887 5.162 1.00 0.00 O ATOM 829 CB LEU A 64 -17.962 2.545 4.559 1.00 0.00 C ATOM 830 CG LEU A 64 -16.979 3.019 5.628 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.024 4.048 5.024 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.756 3.652 6.783 1.00 0.00 C ATOM 0 H LEU A 64 -16.578 0.743 3.776 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.369 0.889 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.500 2.602 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.836 3.195 4.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.404 2.171 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.323 4.386 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.473 3.594 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.594 4.900 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.058 3.992 7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.330 4.501 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.434 2.915 7.212 1.00 0.00 H new ATOM 844 N ASP A 65 -20.000 0.611 3.120 1.00 0.00 N ATOM 845 CA ASP A 65 -21.375 0.365 2.597 1.00 0.00 C ATOM 846 C ASP A 65 -21.801 -1.082 2.866 1.00 0.00 C ATOM 847 O ASP A 65 -22.963 -1.367 3.077 1.00 0.00 O ATOM 848 CB ASP A 65 -21.276 0.623 1.093 1.00 0.00 C ATOM 849 CG ASP A 65 -21.855 2.001 0.772 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.657 2.483 1.554 1.00 0.00 O ATOM 851 OD2 ASP A 65 -21.485 2.553 -0.252 1.00 0.00 O ATOM 0 H ASP A 65 -19.257 0.571 2.422 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.117 1.004 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.236 0.570 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.818 -0.148 0.545 1.00 0.00 H new ATOM 856 N GLY A 66 -20.872 -1.996 2.851 1.00 0.00 N ATOM 857 CA GLY A 66 -21.220 -3.424 3.098 1.00 0.00 C ATOM 858 C GLY A 66 -21.043 -4.212 1.801 1.00 0.00 C ATOM 859 O GLY A 66 -21.857 -5.041 1.448 1.00 0.00 O ATOM 0 H GLY A 66 -19.883 -1.816 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.582 -3.837 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.248 -3.505 3.450 1.00 0.00 H new ATOM 863 N LEU A 67 -19.985 -3.952 1.082 1.00 0.00 N ATOM 864 CA LEU A 67 -19.752 -4.675 -0.201 1.00 0.00 C ATOM 865 C LEU A 67 -18.708 -5.775 -0.014 1.00 0.00 C ATOM 866 O LEU A 67 -18.867 -6.884 -0.485 1.00 0.00 O ATOM 867 CB LEU A 67 -19.233 -3.604 -1.160 1.00 0.00 C ATOM 868 CG LEU A 67 -20.180 -2.395 -1.149 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.951 -1.546 -2.400 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.636 -2.871 -1.135 1.00 0.00 C ATOM 0 H LEU A 67 -19.270 -3.268 1.329 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.655 -5.160 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.230 -3.295 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.159 -4.011 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.979 -1.802 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.625 -0.690 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.919 -1.195 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.145 -2.147 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.301 -2.007 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.831 -3.471 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.813 -3.473 -0.244 1.00 0.00 H new ATOM 882 N ASP A 68 -17.639 -5.475 0.667 1.00 0.00 N ATOM 883 CA ASP A 68 -16.579 -6.499 0.883 1.00 0.00 C ATOM 884 C ASP A 68 -16.938 -7.404 2.072 1.00 0.00 C ATOM 885 O ASP A 68 -16.096 -8.094 2.610 1.00 0.00 O ATOM 886 CB ASP A 68 -15.296 -5.682 1.130 1.00 0.00 C ATOM 887 CG ASP A 68 -14.708 -5.955 2.521 1.00 0.00 C ATOM 888 OD1 ASP A 68 -15.406 -5.724 3.495 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.570 -6.391 2.587 1.00 0.00 O ATOM 0 H ASP A 68 -17.452 -4.563 1.085 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.458 -7.174 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.556 -5.927 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.517 -4.619 1.030 1.00 0.00 H new ATOM 894 N GLU A 69 -18.180 -7.406 2.479 1.00 0.00 N ATOM 895 CA GLU A 69 -18.604 -8.260 3.624 1.00 0.00 C ATOM 896 C GLU A 69 -17.861 -9.597 3.617 1.00 0.00 C ATOM 897 O GLU A 69 -17.561 -10.160 4.651 1.00 0.00 O ATOM 898 CB GLU A 69 -20.096 -8.485 3.398 1.00 0.00 C ATOM 899 CG GLU A 69 -20.360 -8.840 1.931 1.00 0.00 C ATOM 900 CD GLU A 69 -20.952 -10.248 1.844 1.00 0.00 C ATOM 901 OE1 GLU A 69 -21.917 -10.509 2.541 1.00 0.00 O ATOM 902 OE2 GLU A 69 -20.428 -11.042 1.079 1.00 0.00 O ATOM 0 H GLU A 69 -18.924 -6.847 2.062 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.388 -7.792 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.452 -9.287 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.652 -7.587 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.046 -8.118 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.432 -8.788 1.361 1.00 0.00 H new ATOM 909 N ASP A 70 -17.565 -10.108 2.459 1.00 0.00 N ATOM 910 CA ASP A 70 -16.845 -11.412 2.381 1.00 0.00 C ATOM 911 C ASP A 70 -15.331 -11.187 2.405 1.00 0.00 C ATOM 912 O ASP A 70 -14.598 -11.910 3.050 1.00 0.00 O ATOM 913 CB ASP A 70 -17.277 -12.026 1.050 1.00 0.00 C ATOM 914 CG ASP A 70 -18.060 -13.314 1.312 1.00 0.00 C ATOM 915 OD1 ASP A 70 -17.750 -13.985 2.284 1.00 0.00 O ATOM 916 OD2 ASP A 70 -18.953 -13.609 0.537 1.00 0.00 O ATOM 0 H ASP A 70 -17.789 -9.681 1.560 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.080 -12.062 3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.894 -11.319 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.403 -12.238 0.435 1.00 0.00 H new ATOM 921 N GLY A 71 -14.857 -10.190 1.712 1.00 0.00 N ATOM 922 CA GLY A 71 -13.391 -9.926 1.704 1.00 0.00 C ATOM 923 C GLY A 71 -12.837 -10.122 0.293 1.00 0.00 C ATOM 924 O GLY A 71 -11.652 -10.317 0.105 1.00 0.00 O ATOM 0 H GLY A 71 -15.419 -9.548 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.193 -8.909 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.887 -10.598 2.399 1.00 0.00 H new ATOM 928 N GLU A 72 -13.680 -10.069 -0.702 1.00 0.00 N ATOM 929 CA GLU A 72 -13.190 -10.250 -2.099 1.00 0.00 C ATOM 930 C GLU A 72 -12.556 -8.952 -2.601 1.00 0.00 C ATOM 931 O GLU A 72 -11.433 -8.936 -3.062 1.00 0.00 O ATOM 932 CB GLU A 72 -14.431 -10.598 -2.920 1.00 0.00 C ATOM 933 CG GLU A 72 -14.403 -12.085 -3.279 1.00 0.00 C ATOM 934 CD GLU A 72 -14.241 -12.919 -2.008 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.182 -12.972 -1.233 1.00 0.00 O ATOM 936 OE2 GLU A 72 -13.178 -13.491 -1.830 1.00 0.00 O ATOM 0 H GLU A 72 -14.683 -9.909 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.430 -11.027 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.332 -10.367 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.461 -9.994 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.324 -12.362 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.581 -12.288 -3.966 1.00 0.00 H new ATOM 943 N LYS A 73 -13.260 -7.859 -2.508 1.00 0.00 N ATOM 944 CA LYS A 73 -12.676 -6.570 -2.972 1.00 0.00 C ATOM 945 C LYS A 73 -11.493 -6.203 -2.077 1.00 0.00 C ATOM 946 O LYS A 73 -10.398 -5.967 -2.546 1.00 0.00 O ATOM 947 CB LYS A 73 -13.801 -5.540 -2.841 1.00 0.00 C ATOM 948 CG LYS A 73 -15.107 -6.111 -3.406 1.00 0.00 C ATOM 949 CD LYS A 73 -14.826 -6.875 -4.705 1.00 0.00 C ATOM 950 CE LYS A 73 -16.069 -6.848 -5.597 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.195 -7.231 -4.701 1.00 0.00 N ATOM 0 H LYS A 73 -14.207 -7.802 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.308 -6.619 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.936 -5.269 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.533 -4.628 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.569 -6.776 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.815 -5.304 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.982 -6.425 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.550 -7.905 -4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.225 -5.858 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.973 -7.545 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.958 -7.657 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.860 -7.919 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.555 -6.385 -4.215 1.00 0.00 H new ATOM 965 N GLU A 74 -11.702 -6.169 -0.789 1.00 0.00 N ATOM 966 CA GLU A 74 -10.583 -5.833 0.135 1.00 0.00 C ATOM 967 C GLU A 74 -9.440 -6.831 -0.062 1.00 0.00 C ATOM 968 O GLU A 74 -8.296 -6.544 0.229 1.00 0.00 O ATOM 969 CB GLU A 74 -11.174 -5.956 1.543 1.00 0.00 C ATOM 970 CG GLU A 74 -10.054 -5.878 2.587 1.00 0.00 C ATOM 971 CD GLU A 74 -9.788 -4.417 2.951 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.702 -3.608 2.043 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.675 -4.132 4.132 1.00 0.00 O ATOM 0 H GLU A 74 -12.597 -6.359 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.177 -4.837 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.898 -5.160 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.709 -6.900 1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.335 -6.439 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.146 -6.336 2.195 1.00 0.00 H new ATOM 980 N ALA A 75 -9.739 -8.002 -0.560 1.00 0.00 N ATOM 981 CA ALA A 75 -8.665 -9.010 -0.781 1.00 0.00 C ATOM 982 C ALA A 75 -7.633 -8.453 -1.758 1.00 0.00 C ATOM 983 O ALA A 75 -6.443 -8.635 -1.590 1.00 0.00 O ATOM 984 CB ALA A 75 -9.370 -10.228 -1.375 1.00 0.00 C ATOM 0 H ALA A 75 -10.678 -8.302 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.137 -9.265 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.640 -11.014 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.121 -10.592 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.853 -9.948 -2.311 1.00 0.00 H new ATOM 990 N ARG A 76 -8.076 -7.764 -2.774 1.00 0.00 N ATOM 991 CA ARG A 76 -7.105 -7.193 -3.744 1.00 0.00 C ATOM 992 C ARG A 76 -6.228 -6.161 -3.038 1.00 0.00 C ATOM 993 O ARG A 76 -5.039 -6.088 -3.265 1.00 0.00 O ATOM 994 CB ARG A 76 -7.943 -6.524 -4.829 1.00 0.00 C ATOM 995 CG ARG A 76 -7.006 -5.780 -5.782 1.00 0.00 C ATOM 996 CD ARG A 76 -7.821 -5.111 -6.888 1.00 0.00 C ATOM 997 NE ARG A 76 -6.911 -5.076 -8.066 1.00 0.00 N ATOM 998 CZ ARG A 76 -6.498 -6.192 -8.604 1.00 0.00 C ATOM 999 NH1 ARG A 76 -7.123 -7.309 -8.352 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -5.459 -6.188 -9.393 1.00 0.00 N ATOM 0 H ARG A 76 -9.058 -7.574 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.449 -7.955 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.522 -7.270 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.656 -5.831 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.435 -5.031 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.287 -6.475 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.728 -5.674 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.131 -4.107 -6.598 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.610 -4.181 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.935 -7.311 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.800 -8.180 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.971 -5.314 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.135 -7.059 -9.814 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.803 -5.365 -2.177 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.986 -4.351 -1.459 1.00 0.00 C ATOM 1016 C LEU A 77 -4.910 -5.058 -0.636 1.00 0.00 C ATOM 1017 O LEU A 77 -3.781 -4.615 -0.556 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.965 -3.607 -0.543 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.993 -2.855 -1.390 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.045 -2.220 -0.479 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.312 -1.754 -2.203 1.00 0.00 C ATOM 0 H LEU A 77 -7.796 -5.374 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.482 -3.664 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.469 -4.313 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.423 -2.908 0.094 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.466 -3.564 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.776 -1.685 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.549 -2.999 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.561 -1.523 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.057 -1.229 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.827 -1.050 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.566 -2.197 -2.862 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.254 -6.160 -0.033 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.255 -6.911 0.778 1.00 0.00 C ATOM 1035 C ILE A 78 -3.143 -7.442 -0.130 1.00 0.00 C ATOM 1036 O ILE A 78 -1.970 -7.306 0.161 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.041 -8.065 1.404 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.006 -7.511 2.454 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.069 -9.044 2.069 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.995 -8.604 2.866 1.00 0.00 C ATOM 0 H ILE A 78 -6.185 -6.575 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.779 -6.290 1.536 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.605 -8.585 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.451 -7.161 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.544 -6.652 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.629 -9.866 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.380 -9.437 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.505 -8.526 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.683 -8.209 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.559 -8.933 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.449 -9.449 3.285 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.501 -8.044 -1.232 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.463 -8.579 -2.158 1.00 0.00 C ATOM 1054 C ARG A 79 -1.615 -7.432 -2.716 1.00 0.00 C ATOM 1055 O ARG A 79 -0.457 -7.604 -3.038 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.240 -9.271 -3.279 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.973 -10.777 -3.226 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.957 -11.346 -4.647 1.00 0.00 C ATOM 1059 NE ARG A 79 -4.276 -10.971 -5.227 1.00 0.00 N ATOM 1060 CZ ARG A 79 -4.732 -11.606 -6.272 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -4.384 -11.224 -7.471 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -5.536 -12.623 -6.119 1.00 0.00 N ATOM 0 H ARG A 79 -4.466 -8.188 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.780 -9.267 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.307 -9.075 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.938 -8.871 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.019 -10.970 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.742 -11.272 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.136 -10.928 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.823 -12.428 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.823 -10.219 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.756 -10.429 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.740 -11.720 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.808 -12.922 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.892 -13.119 -6.936 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.180 -6.260 -2.826 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.400 -5.104 -3.354 1.00 0.00 C ATOM 1078 C ASN A 80 -0.402 -4.635 -2.296 1.00 0.00 C ATOM 1079 O ASN A 80 0.744 -4.360 -2.590 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.433 -4.012 -3.637 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.201 -4.347 -4.917 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.707 -5.442 -5.068 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.308 -3.444 -5.853 1.00 0.00 N ATOM 0 H ASN A 80 -3.146 -6.053 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.833 -5.359 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.124 -3.926 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.937 -3.047 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.816 -3.657 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.883 -2.525 -5.726 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.823 -4.554 -1.062 1.00 0.00 N ATOM 1091 CA LEU A 81 0.114 -4.118 0.008 1.00 0.00 C ATOM 1092 C LEU A 81 1.172 -5.200 0.215 1.00 0.00 C ATOM 1093 O LEU A 81 2.292 -4.927 0.571 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.744 -3.938 1.261 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.387 -2.608 1.929 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.038 -2.686 2.481 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.471 -1.480 0.898 1.00 0.00 C ATOM 0 H LEU A 81 -1.770 -4.770 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 81 0.635 -3.193 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.802 -3.954 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.576 -4.763 1.953 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.085 -2.409 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.296 -1.740 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.101 -3.491 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.734 -2.883 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.217 -0.533 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.228 -1.677 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.484 -1.426 0.500 1.00 0.00 H new ATOM 1109 N ASN A 82 0.827 -6.429 -0.036 1.00 0.00 N ATOM 1110 CA ASN A 82 1.820 -7.526 0.110 1.00 0.00 C ATOM 1111 C ASN A 82 2.764 -7.496 -1.096 1.00 0.00 C ATOM 1112 O ASN A 82 3.939 -7.790 -0.993 1.00 0.00 O ATOM 1113 CB ASN A 82 0.996 -8.814 0.122 1.00 0.00 C ATOM 1114 CG ASN A 82 0.750 -9.250 1.567 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.677 -9.570 2.284 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.471 -9.280 2.030 1.00 0.00 N ATOM 0 H ASN A 82 -0.102 -6.722 -0.337 1.00 0.00 H new ATOM 0 HA ASN A 82 2.427 -7.439 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.046 -8.655 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.521 -9.599 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.645 -9.572 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.251 -9.012 1.430 1.00 0.00 H new ATOM 1123 N VAL A 83 2.252 -7.116 -2.236 1.00 0.00 N ATOM 1124 CA VAL A 83 3.104 -7.036 -3.457 1.00 0.00 C ATOM 1125 C VAL A 83 4.154 -5.939 -3.258 1.00 0.00 C ATOM 1126 O VAL A 83 5.338 -6.145 -3.446 1.00 0.00 O ATOM 1127 CB VAL A 83 2.121 -6.680 -4.583 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.845 -5.944 -5.715 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.499 -7.964 -5.135 1.00 0.00 C ATOM 0 H VAL A 83 1.275 -6.856 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 83 3.645 -7.956 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 83 1.345 -6.030 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.133 -5.700 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.287 -5.026 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.631 -6.582 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.801 -7.716 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.285 -8.610 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.968 -8.483 -4.337 1.00 0.00 H new ATOM 1139 N ILE A 84 3.721 -4.781 -2.846 1.00 0.00 N ATOM 1140 CA ILE A 84 4.673 -3.668 -2.598 1.00 0.00 C ATOM 1141 C ILE A 84 5.602 -4.073 -1.455 1.00 0.00 C ATOM 1142 O ILE A 84 6.807 -4.002 -1.562 1.00 0.00 O ATOM 1143 CB ILE A 84 3.778 -2.491 -2.198 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.042 -1.974 -3.436 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.621 -1.368 -1.597 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.715 -1.337 -3.016 1.00 0.00 C ATOM 0 H ILE A 84 2.741 -4.558 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 84 5.300 -3.418 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 84 3.057 -2.826 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.658 -1.243 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.860 -2.793 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.974 -0.537 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.141 -1.737 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.351 -1.028 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.192 -0.969 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.098 -2.081 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.909 -0.507 -2.337 1.00 0.00 H new ATOM 1158 N LEU A 85 5.039 -4.528 -0.375 1.00 0.00 N ATOM 1159 CA LEU A 85 5.870 -4.977 0.775 1.00 0.00 C ATOM 1160 C LEU A 85 6.743 -6.140 0.334 1.00 0.00 C ATOM 1161 O LEU A 85 7.744 -6.454 0.944 1.00 0.00 O ATOM 1162 CB LEU A 85 4.862 -5.418 1.829 1.00 0.00 C ATOM 1163 CG LEU A 85 4.141 -4.185 2.349 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.152 -4.591 3.440 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.172 -3.208 2.906 1.00 0.00 C ATOM 0 H LEU A 85 4.032 -4.609 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 85 6.534 -4.202 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.149 -6.122 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.368 -5.934 2.645 1.00 0.00 H new ATOM 0 HG LEU A 85 3.589 -3.706 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.636 -3.705 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.423 -5.290 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.690 -5.068 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.665 -2.319 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.722 -3.683 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.867 -2.923 2.116 1.00 0.00 H new ATOM 1177 N ALA A 86 6.372 -6.771 -0.738 1.00 0.00 N ATOM 1178 CA ALA A 86 7.184 -7.902 -1.258 1.00 0.00 C ATOM 1179 C ALA A 86 8.322 -7.330 -2.105 1.00 0.00 C ATOM 1180 O ALA A 86 9.391 -7.897 -2.206 1.00 0.00 O ATOM 1181 CB ALA A 86 6.225 -8.714 -2.127 1.00 0.00 C ATOM 0 H ALA A 86 5.537 -6.552 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 86 7.622 -8.516 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.752 -9.570 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.391 -9.065 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.846 -8.087 -2.934 1.00 0.00 H new ATOM 1187 N LYS A 87 8.083 -6.198 -2.710 1.00 0.00 N ATOM 1188 CA LYS A 87 9.124 -5.552 -3.558 1.00 0.00 C ATOM 1189 C LYS A 87 10.066 -4.701 -2.702 1.00 0.00 C ATOM 1190 O LYS A 87 11.152 -4.350 -3.117 1.00 0.00 O ATOM 1191 CB LYS A 87 8.338 -4.647 -4.501 1.00 0.00 C ATOM 1192 CG LYS A 87 9.266 -4.119 -5.592 1.00 0.00 C ATOM 1193 CD LYS A 87 8.466 -3.259 -6.571 1.00 0.00 C ATOM 1194 CE LYS A 87 8.549 -3.869 -7.971 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.190 -3.683 -8.553 1.00 0.00 N ATOM 0 H LYS A 87 7.201 -5.688 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 87 9.738 -6.286 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.512 -5.200 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.902 -3.816 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.069 -3.531 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.734 -4.950 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.426 -3.197 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.858 -2.242 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.308 -3.371 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.818 -4.924 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.167 -4.077 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.489 -4.173 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.964 -2.669 -8.589 1.00 0.00 H new ATOM 1209 N TYR A 88 9.645 -4.349 -1.520 1.00 0.00 N ATOM 1210 CA TYR A 88 10.500 -3.499 -0.644 1.00 0.00 C ATOM 1211 C TYR A 88 10.604 -4.108 0.751 1.00 0.00 C ATOM 1212 O TYR A 88 11.233 -3.557 1.631 1.00 0.00 O ATOM 1213 CB TYR A 88 9.769 -2.159 -0.557 1.00 0.00 C ATOM 1214 CG TYR A 88 9.251 -1.767 -1.913 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.150 -1.437 -2.925 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.874 -1.738 -2.155 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.679 -1.076 -4.188 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.395 -1.379 -3.420 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.298 -1.048 -4.440 1.00 0.00 C ATOM 1220 OH TYR A 88 7.829 -0.691 -5.688 1.00 0.00 O ATOM 0 H TYR A 88 8.744 -4.613 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 88 11.512 -3.403 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.943 -2.231 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.444 -1.391 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.212 -1.461 -2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.181 -1.992 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.376 -0.818 -4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.332 -1.357 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 88 6.871 -0.891 -5.747 1.00 0.00 H new ATOM 1230 N GLY A 89 9.979 -5.229 0.963 1.00 0.00 N ATOM 1231 CA GLY A 89 10.028 -5.855 2.311 1.00 0.00 C ATOM 1232 C GLY A 89 9.807 -4.767 3.365 1.00 0.00 C ATOM 1233 O GLY A 89 10.292 -4.858 4.475 1.00 0.00 O ATOM 0 H GLY A 89 9.438 -5.738 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.263 -6.626 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.991 -6.342 2.467 1.00 0.00 H new ATOM 1237 N LEU A 90 9.080 -3.732 3.023 1.00 0.00 N ATOM 1238 CA LEU A 90 8.835 -2.638 4.001 1.00 0.00 C ATOM 1239 C LEU A 90 8.094 -3.183 5.225 1.00 0.00 C ATOM 1240 O LEU A 90 8.037 -2.552 6.261 1.00 0.00 O ATOM 1241 CB LEU A 90 7.974 -1.631 3.241 1.00 0.00 C ATOM 1242 CG LEU A 90 8.849 -0.822 2.281 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.954 -0.020 1.327 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.736 0.135 3.082 1.00 0.00 C ATOM 0 H LEU A 90 8.648 -3.601 2.108 1.00 0.00 H new ATOM 0 HA LEU A 90 9.756 -2.188 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.194 -2.152 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.474 -0.963 3.943 1.00 0.00 H new ATOM 0 HG LEU A 90 9.478 -1.499 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.576 0.557 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.325 -0.704 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.324 0.658 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.359 0.711 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.109 0.813 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.372 -0.437 3.758 1.00 0.00 H new ATOM 1256 N ASP A 91 7.532 -4.354 5.118 1.00 0.00 N ATOM 1257 CA ASP A 91 6.800 -4.937 6.277 1.00 0.00 C ATOM 1258 C ASP A 91 7.286 -6.365 6.545 1.00 0.00 C ATOM 1259 O ASP A 91 6.542 -7.208 7.007 1.00 0.00 O ATOM 1260 CB ASP A 91 5.329 -4.936 5.859 1.00 0.00 C ATOM 1261 CG ASP A 91 4.564 -3.899 6.684 1.00 0.00 C ATOM 1262 OD1 ASP A 91 4.774 -2.720 6.459 1.00 0.00 O ATOM 1263 OD2 ASP A 91 3.781 -4.306 7.527 1.00 0.00 O ATOM 0 H ASP A 91 7.548 -4.933 4.278 1.00 0.00 H new ATOM 0 HA ASP A 91 6.961 -4.371 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.242 -4.707 4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.897 -5.926 6.008 1.00 0.00 H new ATOM 1268 N GLY A 92 8.528 -6.643 6.257 1.00 0.00 N ATOM 1269 CA GLY A 92 9.062 -8.014 6.495 1.00 0.00 C ATOM 1270 C GLY A 92 9.191 -8.755 5.163 1.00 0.00 C ATOM 1271 O GLY A 92 10.008 -8.416 4.330 1.00 0.00 O ATOM 0 H GLY A 92 9.197 -5.979 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.034 -7.956 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.399 -8.562 7.164 1.00 0.00 H new ATOM 1275 N LYS A 93 8.391 -9.766 4.956 1.00 0.00 N ATOM 1276 CA LYS A 93 8.469 -10.531 3.678 1.00 0.00 C ATOM 1277 C LYS A 93 9.914 -10.960 3.409 1.00 0.00 C ATOM 1278 O LYS A 93 10.427 -10.805 2.319 1.00 0.00 O ATOM 1279 CB LYS A 93 7.983 -9.560 2.603 1.00 0.00 C ATOM 1280 CG LYS A 93 6.463 -9.414 2.699 1.00 0.00 C ATOM 1281 CD LYS A 93 5.812 -9.994 1.441 1.00 0.00 C ATOM 1282 CE LYS A 93 4.428 -10.546 1.791 1.00 0.00 C ATOM 1283 NZ LYS A 93 4.693 -11.841 2.475 1.00 0.00 N ATOM 0 H LYS A 93 7.687 -10.095 5.616 1.00 0.00 H new ATOM 0 HA LYS A 93 7.868 -11.440 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.461 -8.589 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.263 -9.925 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.093 -9.931 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.194 -8.363 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.725 -9.223 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.437 -10.785 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.882 -9.861 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.822 -10.689 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.302 -12.620 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.719 -11.973 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.244 -11.837 3.413 1.00 0.00 H new ATOM 1297 N LYS A 94 10.571 -11.501 4.399 1.00 0.00 N ATOM 1298 CA LYS A 94 11.983 -11.947 4.211 1.00 0.00 C ATOM 1299 C LYS A 94 12.395 -12.861 5.368 1.00 0.00 C ATOM 1300 O LYS A 94 12.535 -14.058 5.208 1.00 0.00 O ATOM 1301 CB LYS A 94 12.813 -10.661 4.217 1.00 0.00 C ATOM 1302 CG LYS A 94 13.220 -10.306 2.785 1.00 0.00 C ATOM 1303 CD LYS A 94 14.692 -9.888 2.758 1.00 0.00 C ATOM 1304 CE LYS A 94 14.809 -8.405 3.118 1.00 0.00 C ATOM 1305 NZ LYS A 94 15.916 -7.886 2.266 1.00 0.00 N ATOM 0 H LYS A 94 10.190 -11.654 5.333 1.00 0.00 H new ATOM 0 HA LYS A 94 12.123 -12.511 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.236 -9.846 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.700 -10.792 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.063 -11.162 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.595 -9.496 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.265 -10.490 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.114 -10.067 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.877 -7.876 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.031 -8.272 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.056 -6.873 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.792 -8.403 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.674 -8.019 1.263 1.00 0.00 H new ATOM 1319 N ASP A 95 12.583 -12.305 6.533 1.00 0.00 N ATOM 1320 CA ASP A 95 12.977 -13.140 7.705 1.00 0.00 C ATOM 1321 C ASP A 95 14.335 -13.801 7.464 1.00 0.00 C ATOM 1322 O ASP A 95 14.667 -14.174 6.356 1.00 0.00 O ATOM 1323 CB ASP A 95 11.881 -14.199 7.819 1.00 0.00 C ATOM 1324 CG ASP A 95 11.645 -14.535 9.292 1.00 0.00 C ATOM 1325 OD1 ASP A 95 12.560 -14.346 10.076 1.00 0.00 O ATOM 1326 OD2 ASP A 95 10.553 -14.974 9.611 1.00 0.00 O ATOM 0 H ASP A 95 12.481 -11.308 6.725 1.00 0.00 H new ATOM 0 HA ASP A 95 13.075 -12.548 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.959 -13.833 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.170 -15.097 7.272 1.00 0.00 H new ATOM 1331 N ALA A 96 15.118 -13.953 8.497 1.00 0.00 N ATOM 1332 CA ALA A 96 16.455 -14.595 8.340 1.00 0.00 C ATOM 1333 C ALA A 96 17.132 -14.108 7.056 1.00 0.00 C ATOM 1334 O ALA A 96 16.989 -14.702 6.004 1.00 0.00 O ATOM 1335 CB ALA A 96 16.165 -16.093 8.262 1.00 0.00 C ATOM 0 H ALA A 96 14.889 -13.659 9.447 1.00 0.00 H new ATOM 0 HA ALA A 96 17.129 -14.352 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 96 17.101 -16.639 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.668 -16.416 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.519 -16.294 7.408 1.00 0.00 H new ATOM 1341 N ARG A 97 17.871 -13.036 7.133 1.00 0.00 N ATOM 1342 CA ARG A 97 18.558 -12.517 5.914 1.00 0.00 C ATOM 1343 C ARG A 97 19.652 -13.493 5.470 1.00 0.00 C ATOM 1344 O ARG A 97 19.838 -13.640 4.274 1.00 0.00 O ATOM 1345 CB ARG A 97 19.169 -11.181 6.339 1.00 0.00 C ATOM 1346 CG ARG A 97 18.351 -10.034 5.745 1.00 0.00 C ATOM 1347 CD ARG A 97 19.284 -8.881 5.373 1.00 0.00 C ATOM 1348 NE ARG A 97 19.971 -8.518 6.644 1.00 0.00 N ATOM 1349 CZ ARG A 97 20.790 -7.505 6.676 1.00 0.00 C ATOM 1350 NH1 ARG A 97 21.529 -7.230 5.636 1.00 0.00 N ATOM 1351 NH2 ARG A 97 20.874 -6.766 7.749 1.00 0.00 N ATOM 1352 OXT ARG A 97 20.280 -14.080 6.337 1.00 0.00 O ATOM 0 H ARG A 97 18.029 -12.497 7.984 1.00 0.00 H new ATOM 0 HA ARG A 97 17.875 -12.401 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 97 19.185 -11.106 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.203 -11.118 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.811 -10.377 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.605 -9.695 6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.000 -9.183 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.726 -8.036 4.970 1.00 0.00 H new ATOM 0 HE ARG A 97 19.800 -9.063 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.465 -7.808 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.170 -6.437 5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.298 -6.981 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.515 -5.973 7.773 1.00 0.00 H new TER 1366 ARG A 97