USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 527 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 17 GLN : amide:sc= 1.15 K(o=1.6,f=-1.1) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.46 K(o=1.6,f=0.85) USER MOD Single : A 0 MET CE :methyl -172:sc= 0 (180deg=-0.095) USER MOD Single : A 0 MET N :NH3+ -147:sc= 1.14 (180deg=0.391) USER MOD Single : A 2 MET CE :methyl -133:sc= 0 (180deg=-0.0875) USER MOD Single : A 12 GLN : amide:sc= -1.03 X(o=-1,f=-0.64) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.00034) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.11) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 33 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.6) USER MOD Single : A 36 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.27) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.21 X(o=0.21,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -10.073 -5.319 8.385 1.00 0.00 N ATOM 2 CA MET A 0 -8.907 -4.624 8.908 1.00 0.00 C ATOM 3 C MET A 0 -8.778 -3.253 8.238 1.00 0.00 C ATOM 4 O MET A 0 -9.447 -2.997 7.232 1.00 0.00 O ATOM 5 CB MET A 0 -7.636 -5.470 8.717 1.00 0.00 C ATOM 6 CG MET A 0 -7.161 -5.650 7.267 1.00 0.00 C ATOM 7 SD MET A 0 -8.214 -6.628 6.148 1.00 0.00 S ATOM 8 CE MET A 0 -8.094 -8.266 6.916 1.00 0.00 C ATOM 0 H1 MET A 0 -10.489 -5.910 9.133 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.775 -4.624 8.062 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.789 -5.921 7.586 1.00 0.00 H new ATOM 0 HA MET A 0 -9.033 -4.470 9.980 1.00 0.00 H new ATOM 0 HB2 MET A 0 -6.829 -5.012 9.289 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.812 -6.456 9.146 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.035 -4.660 6.830 1.00 0.00 H new ATOM 0 HG3 MET A 0 -6.175 -6.115 7.292 1.00 0.00 H new ATOM 0 HE1 MET A 0 -8.567 -9.006 6.271 1.00 0.00 H new ATOM 0 HE2 MET A 0 -7.045 -8.526 7.057 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.597 -8.252 7.883 1.00 0.00 H new ATOM 18 N LEU A 1 -7.917 -2.384 8.772 1.00 0.00 N ATOM 19 CA LEU A 1 -7.665 -1.068 8.186 1.00 0.00 C ATOM 20 C LEU A 1 -6.782 -1.230 6.951 1.00 0.00 C ATOM 21 O LEU A 1 -6.095 -2.241 6.802 1.00 0.00 O ATOM 22 CB LEU A 1 -6.999 -0.054 9.149 1.00 0.00 C ATOM 23 CG LEU A 1 -7.180 -0.172 10.677 1.00 0.00 C ATOM 24 CD1 LEU A 1 -8.612 -0.490 11.122 1.00 0.00 C ATOM 25 CD2 LEU A 1 -6.172 -1.162 11.271 1.00 0.00 C ATOM 0 H LEU A 1 -7.378 -2.572 9.618 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.643 -0.657 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.927 -0.082 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.350 0.937 8.862 1.00 0.00 H new ATOM 0 HG LEU A 1 -6.976 0.822 11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.649 -0.555 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.282 0.300 10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -8.924 -1.441 10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.319 -1.228 12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -6.320 -2.145 10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -5.159 -0.818 11.064 1.00 0.00 H new ATOM 37 N MET A 2 -6.706 -0.172 6.137 1.00 0.00 N ATOM 38 CA MET A 2 -5.841 -0.099 4.960 1.00 0.00 C ATOM 39 C MET A 2 -4.401 -0.405 5.329 1.00 0.00 C ATOM 40 O MET A 2 -3.767 -1.206 4.654 1.00 0.00 O ATOM 41 CB MET A 2 -5.884 1.291 4.304 1.00 0.00 C ATOM 42 CG MET A 2 -6.889 1.341 3.160 1.00 0.00 C ATOM 43 SD MET A 2 -8.610 1.588 3.673 1.00 0.00 S ATOM 44 CE MET A 2 -8.546 3.359 4.066 1.00 0.00 C ATOM 0 H MET A 2 -7.257 0.674 6.283 1.00 0.00 H new ATOM 0 HA MET A 2 -6.215 -0.840 4.254 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.146 2.039 5.052 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.893 1.548 3.930 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.607 2.147 2.482 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.822 0.411 2.595 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.023 3.535 5.030 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.507 3.684 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 2 -9.069 3.922 3.293 1.00 0.00 H new ATOM 54 N GLY A 3 -3.864 0.301 6.320 1.00 0.00 N ATOM 55 CA GLY A 3 -2.472 0.175 6.697 1.00 0.00 C ATOM 56 C GLY A 3 -2.070 -1.271 6.956 1.00 0.00 C ATOM 57 O GLY A 3 -1.200 -1.788 6.259 1.00 0.00 O ATOM 0 H GLY A 3 -4.387 0.974 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.845 0.588 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.286 0.767 7.593 1.00 0.00 H new ATOM 61 N GLU A 4 -2.731 -1.945 7.898 1.00 0.00 N ATOM 62 CA GLU A 4 -2.412 -3.333 8.229 1.00 0.00 C ATOM 63 C GLU A 4 -2.604 -4.251 7.019 1.00 0.00 C ATOM 64 O GLU A 4 -1.794 -5.142 6.770 1.00 0.00 O ATOM 65 CB GLU A 4 -3.278 -3.818 9.407 1.00 0.00 C ATOM 66 CG GLU A 4 -2.441 -4.350 10.574 1.00 0.00 C ATOM 67 CD GLU A 4 -1.442 -5.430 10.153 1.00 0.00 C ATOM 68 OE1 GLU A 4 -1.860 -6.578 9.882 1.00 0.00 O ATOM 69 OE2 GLU A 4 -0.224 -5.131 10.135 1.00 0.00 O ATOM 0 H GLU A 4 -3.494 -1.549 8.447 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.363 -3.373 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.902 -2.996 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.950 -4.602 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.900 -3.522 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.107 -4.756 11.335 1.00 0.00 H new ATOM 76 N ARG A 5 -3.659 -4.012 6.235 1.00 0.00 N ATOM 77 CA ARG A 5 -3.923 -4.705 4.985 1.00 0.00 C ATOM 78 C ARG A 5 -2.711 -4.603 4.056 1.00 0.00 C ATOM 79 O ARG A 5 -2.279 -5.617 3.505 1.00 0.00 O ATOM 80 CB ARG A 5 -5.218 -4.107 4.400 1.00 0.00 C ATOM 81 CG ARG A 5 -5.363 -4.260 2.896 1.00 0.00 C ATOM 82 CD ARG A 5 -6.528 -3.484 2.304 1.00 0.00 C ATOM 83 NE ARG A 5 -7.817 -3.857 2.872 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.573 -3.227 3.779 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.561 -1.906 3.888 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.338 -3.946 4.588 1.00 0.00 N ATOM 0 H ARG A 5 -4.366 -3.313 6.463 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.076 -5.774 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.072 -4.581 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.258 -3.047 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.441 -3.931 2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.486 -5.317 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.364 -2.418 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.553 -3.646 1.226 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.203 -4.735 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.967 -1.349 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.145 -1.447 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.344 -4.963 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.920 -3.482 5.285 1.00 0.00 H new ATOM 100 N ILE A 6 -2.197 -3.394 3.836 1.00 0.00 N ATOM 101 CA ILE A 6 -1.049 -3.142 2.979 1.00 0.00 C ATOM 102 C ILE A 6 0.153 -3.863 3.576 1.00 0.00 C ATOM 103 O ILE A 6 0.812 -4.593 2.844 1.00 0.00 O ATOM 104 CB ILE A 6 -0.825 -1.622 2.796 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.981 -1.031 1.960 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.506 -1.299 2.087 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.150 0.476 2.150 1.00 0.00 C ATOM 0 H ILE A 6 -2.578 -2.548 4.259 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.217 -3.533 1.975 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.791 -1.182 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.802 -1.240 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.910 -1.532 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.611 -0.219 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.336 -1.691 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.513 -1.759 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.978 0.830 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.359 0.689 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.234 0.985 1.852 1.00 0.00 H new ATOM 119 N ARG A 7 0.413 -3.706 4.877 1.00 0.00 N ATOM 120 CA ARG A 7 1.585 -4.263 5.543 1.00 0.00 C ATOM 121 C ARG A 7 1.622 -5.778 5.381 1.00 0.00 C ATOM 122 O ARG A 7 2.646 -6.326 4.973 1.00 0.00 O ATOM 123 CB ARG A 7 1.549 -3.823 7.020 1.00 0.00 C ATOM 124 CG ARG A 7 2.919 -3.802 7.720 1.00 0.00 C ATOM 125 CD ARG A 7 3.090 -4.808 8.861 1.00 0.00 C ATOM 126 NE ARG A 7 3.326 -6.172 8.381 1.00 0.00 N ATOM 127 CZ ARG A 7 2.488 -7.212 8.455 1.00 0.00 C ATOM 128 NH1 ARG A 7 1.224 -7.092 8.843 1.00 0.00 N ATOM 129 NH2 ARG A 7 2.944 -8.412 8.134 1.00 0.00 N ATOM 0 H ARG A 7 -0.196 -3.180 5.503 1.00 0.00 H new ATOM 0 HA ARG A 7 2.504 -3.889 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.112 -2.826 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.887 -4.493 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.692 -3.990 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.092 -2.800 8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.925 -4.499 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.198 -4.797 9.487 1.00 0.00 H new ATOM 0 HE ARG A 7 4.230 -6.348 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.854 -6.177 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.623 -7.915 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.914 -8.527 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.326 -9.222 8.182 1.00 0.00 H new ATOM 143 N ALA A 8 0.491 -6.447 5.608 1.00 0.00 N ATOM 144 CA ALA A 8 0.355 -7.884 5.425 1.00 0.00 C ATOM 145 C ALA A 8 0.587 -8.256 3.958 1.00 0.00 C ATOM 146 O ALA A 8 1.419 -9.109 3.652 1.00 0.00 O ATOM 147 CB ALA A 8 -1.025 -8.335 5.919 1.00 0.00 C ATOM 0 H ALA A 8 -0.366 -5.995 5.928 1.00 0.00 H new ATOM 0 HA ALA A 8 1.111 -8.404 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.127 -9.412 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.130 -8.092 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.801 -7.822 5.350 1.00 0.00 H new ATOM 153 N ARG A 9 -0.123 -7.612 3.027 1.00 0.00 N ATOM 154 CA ARG A 9 -0.041 -7.938 1.604 1.00 0.00 C ATOM 155 C ARG A 9 1.352 -7.650 1.037 1.00 0.00 C ATOM 156 O ARG A 9 1.789 -8.352 0.129 1.00 0.00 O ATOM 157 CB ARG A 9 -1.183 -7.213 0.882 1.00 0.00 C ATOM 158 CG ARG A 9 -1.228 -7.354 -0.642 1.00 0.00 C ATOM 159 CD ARG A 9 -1.368 -8.777 -1.172 1.00 0.00 C ATOM 160 NE ARG A 9 -1.192 -8.792 -2.631 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.432 -9.838 -3.431 1.00 0.00 C ATOM 162 NH1 ARG A 9 -1.887 -10.994 -2.963 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.229 -9.705 -4.730 1.00 0.00 N ATOM 0 H ARG A 9 -0.769 -6.852 3.240 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.173 -9.008 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.127 -7.577 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.121 -6.152 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.062 -6.762 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.317 -6.920 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.627 -9.423 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.349 -9.175 -0.912 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.859 -7.934 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.065 -11.106 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.059 -11.771 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.895 -8.817 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.406 -10.490 -5.357 1.00 0.00 H new ATOM 177 N ARG A 10 2.092 -6.678 1.573 1.00 0.00 N ATOM 178 CA ARG A 10 3.501 -6.497 1.281 1.00 0.00 C ATOM 179 C ARG A 10 4.295 -7.758 1.611 1.00 0.00 C ATOM 180 O ARG A 10 5.012 -8.250 0.745 1.00 0.00 O ATOM 181 CB ARG A 10 4.061 -5.292 2.052 1.00 0.00 C ATOM 182 CG ARG A 10 5.192 -4.686 1.217 1.00 0.00 C ATOM 183 CD ARG A 10 5.736 -3.352 1.714 1.00 0.00 C ATOM 184 NE ARG A 10 5.632 -3.209 3.152 1.00 0.00 N ATOM 185 CZ ARG A 10 6.144 -3.969 4.120 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.060 -4.911 3.892 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.672 -3.793 5.333 1.00 0.00 N ATOM 0 H ARG A 10 1.719 -5.991 2.228 1.00 0.00 H new ATOM 0 HA ARG A 10 3.602 -6.303 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.278 -4.554 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.432 -5.602 3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.014 -5.401 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.835 -4.554 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.781 -3.257 1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.192 -2.540 1.232 1.00 0.00 H new ATOM 0 HE ARG A 10 5.086 -2.408 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.398 -5.075 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.422 -5.468 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.945 -3.098 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.033 -4.351 6.107 1.00 0.00 H new ATOM 201 N ILE A 11 4.179 -8.292 2.830 1.00 0.00 N ATOM 202 CA ILE A 11 4.848 -9.534 3.235 1.00 0.00 C ATOM 203 C ILE A 11 4.383 -10.702 2.360 1.00 0.00 C ATOM 204 O ILE A 11 5.182 -11.574 2.021 1.00 0.00 O ATOM 205 CB ILE A 11 4.666 -9.797 4.747 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.190 -8.627 5.610 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.359 -11.094 5.202 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.617 -8.156 5.315 1.00 0.00 C ATOM 0 H ILE A 11 3.615 -7.873 3.569 1.00 0.00 H new ATOM 0 HA ILE A 11 5.921 -9.428 3.075 1.00 0.00 H new ATOM 0 HB ILE A 11 3.591 -9.897 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.516 -7.779 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.137 -8.923 6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.202 -11.234 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.939 -11.941 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.428 -11.027 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.873 -7.333 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.312 -8.981 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.682 -7.819 4.280 1.00 0.00 H new ATOM 220 N GLN A 12 3.127 -10.703 1.923 1.00 0.00 N ATOM 221 CA GLN A 12 2.590 -11.688 0.988 1.00 0.00 C ATOM 222 C GLN A 12 3.275 -11.662 -0.383 1.00 0.00 C ATOM 223 O GLN A 12 3.232 -12.653 -1.112 1.00 0.00 O ATOM 224 CB GLN A 12 1.088 -11.416 0.850 1.00 0.00 C ATOM 225 CG GLN A 12 0.191 -12.602 0.489 1.00 0.00 C ATOM 226 CD GLN A 12 -1.269 -12.158 0.342 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.733 -11.226 0.998 1.00 0.00 O ATOM 228 NE2 GLN A 12 -2.025 -12.775 -0.549 1.00 0.00 N ATOM 0 H GLN A 12 2.441 -10.007 2.214 1.00 0.00 H new ATOM 0 HA GLN A 12 2.780 -12.686 1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.733 -10.999 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.953 -10.647 0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.534 -13.052 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.266 -13.368 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.643 -13.548 -1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.990 -12.478 -0.692 1.00 0.00 H new ATOM 237 N LEU A 13 3.905 -10.547 -0.749 1.00 0.00 N ATOM 238 CA LEU A 13 4.810 -10.426 -1.896 1.00 0.00 C ATOM 239 C LEU A 13 6.280 -10.506 -1.442 1.00 0.00 C ATOM 240 O LEU A 13 7.179 -10.704 -2.256 1.00 0.00 O ATOM 241 CB LEU A 13 4.458 -9.131 -2.642 1.00 0.00 C ATOM 242 CG LEU A 13 5.248 -8.826 -3.936 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.315 -9.990 -4.928 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.575 -7.630 -4.629 1.00 0.00 C ATOM 0 H LEU A 13 3.797 -9.671 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 13 4.684 -11.257 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.398 -9.163 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.598 -8.296 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 13 6.276 -8.622 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.887 -9.688 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.800 -10.844 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.306 -10.268 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.112 -7.392 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.542 -7.882 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.593 -6.767 -3.964 1.00 0.00 H new ATOM 256 N GLY A 14 6.534 -10.486 -0.135 1.00 0.00 N ATOM 257 CA GLY A 14 7.828 -10.707 0.500 1.00 0.00 C ATOM 258 C GLY A 14 8.848 -9.632 0.152 1.00 0.00 C ATOM 259 O GLY A 14 10.031 -9.946 0.017 1.00 0.00 O ATOM 0 H GLY A 14 5.798 -10.304 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.696 -10.739 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.215 -11.680 0.197 1.00 0.00 H new ATOM 263 N LEU A 15 8.392 -8.394 -0.036 1.00 0.00 N ATOM 264 CA LEU A 15 9.180 -7.215 -0.311 1.00 0.00 C ATOM 265 C LEU A 15 9.050 -6.175 0.802 1.00 0.00 C ATOM 266 O LEU A 15 8.140 -6.230 1.630 1.00 0.00 O ATOM 267 CB LEU A 15 8.845 -6.784 -1.748 1.00 0.00 C ATOM 268 CG LEU A 15 7.887 -5.594 -1.861 1.00 0.00 C ATOM 269 CD1 LEU A 15 7.889 -4.995 -3.267 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.460 -6.068 -1.607 1.00 0.00 C ATOM 0 H LEU A 15 7.394 -8.185 0.005 1.00 0.00 H new ATOM 0 HA LEU A 15 10.254 -7.398 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.773 -6.534 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.409 -7.633 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 15 8.217 -4.851 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.197 -4.154 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.893 -4.650 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.579 -5.753 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.776 -5.223 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.191 -6.824 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.392 -6.497 -0.607 1.00 0.00 H new ATOM 282 N ASN A 16 9.964 -5.211 0.824 1.00 0.00 N ATOM 283 CA ASN A 16 10.023 -4.202 1.891 1.00 0.00 C ATOM 284 C ASN A 16 9.227 -2.965 1.513 1.00 0.00 C ATOM 285 O ASN A 16 8.908 -2.770 0.340 1.00 0.00 O ATOM 286 CB ASN A 16 11.459 -3.761 2.169 1.00 0.00 C ATOM 287 CG ASN A 16 12.328 -4.881 2.702 1.00 0.00 C ATOM 288 OD1 ASN A 16 11.870 -5.743 3.453 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.574 -4.919 2.280 1.00 0.00 N ATOM 0 H ASN A 16 10.684 -5.102 0.110 1.00 0.00 H new ATOM 0 HA ASN A 16 9.601 -4.670 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.899 -3.373 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.449 -2.942 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.189 -5.677 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.924 -4.190 1.658 1.00 0.00 H new ATOM 296 N GLN A 17 8.968 -2.088 2.485 1.00 0.00 N ATOM 297 CA GLN A 17 8.347 -0.785 2.282 1.00 0.00 C ATOM 298 C GLN A 17 9.057 -0.008 1.180 1.00 0.00 C ATOM 299 O GLN A 17 8.400 0.500 0.281 1.00 0.00 O ATOM 300 CB GLN A 17 8.379 0.021 3.585 1.00 0.00 C ATOM 301 CG GLN A 17 7.488 -0.592 4.670 1.00 0.00 C ATOM 302 CD GLN A 17 7.547 0.186 5.977 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.421 1.022 6.194 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.614 -0.087 6.862 1.00 0.00 N ATOM 0 H GLN A 17 9.193 -2.274 3.462 1.00 0.00 H new ATOM 0 HA GLN A 17 7.312 -0.946 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.405 0.078 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.055 1.042 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.458 -0.624 4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.795 -1.622 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.902 -0.786 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.603 0.401 7.758 1.00 0.00 H new ATOM 313 N ALA A 18 10.387 0.067 1.239 1.00 0.00 N ATOM 314 CA ALA A 18 11.211 0.774 0.275 1.00 0.00 C ATOM 315 C ALA A 18 11.086 0.180 -1.135 1.00 0.00 C ATOM 316 O ALA A 18 11.063 0.917 -2.117 1.00 0.00 O ATOM 317 CB ALA A 18 12.653 0.726 0.777 1.00 0.00 C ATOM 0 H ALA A 18 10.929 -0.376 1.981 1.00 0.00 H new ATOM 0 HA ALA A 18 10.874 1.807 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.301 1.250 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.714 1.206 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.974 -0.312 0.862 1.00 0.00 H new ATOM 323 N GLU A 19 10.966 -1.145 -1.247 1.00 0.00 N ATOM 324 CA GLU A 19 10.794 -1.795 -2.543 1.00 0.00 C ATOM 325 C GLU A 19 9.398 -1.497 -3.095 1.00 0.00 C ATOM 326 O GLU A 19 9.253 -1.095 -4.251 1.00 0.00 O ATOM 327 CB GLU A 19 10.989 -3.314 -2.441 1.00 0.00 C ATOM 328 CG GLU A 19 12.341 -3.776 -1.888 1.00 0.00 C ATOM 329 CD GLU A 19 12.892 -4.943 -2.707 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.270 -6.030 -2.719 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.919 -4.741 -3.397 1.00 0.00 O ATOM 0 H GLU A 19 10.985 -1.787 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 19 11.552 -1.397 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.200 -3.721 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.856 -3.746 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.049 -2.947 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.229 -4.077 -0.846 1.00 0.00 H new ATOM 338 N LEU A 20 8.366 -1.677 -2.257 1.00 0.00 N ATOM 339 CA LEU A 20 6.982 -1.370 -2.603 1.00 0.00 C ATOM 340 C LEU A 20 6.882 0.086 -3.038 1.00 0.00 C ATOM 341 O LEU A 20 6.192 0.388 -4.000 1.00 0.00 O ATOM 342 CB LEU A 20 6.034 -1.686 -1.424 1.00 0.00 C ATOM 343 CG LEU A 20 4.538 -1.490 -1.769 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.102 -2.491 -2.834 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.603 -1.721 -0.576 1.00 0.00 C ATOM 0 H LEU A 20 8.477 -2.044 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 20 6.668 -2.000 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.194 -2.716 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.291 -1.047 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 20 4.459 -0.456 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.048 -2.340 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.696 -2.344 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.250 -3.505 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.570 -1.567 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.724 -2.741 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.850 -1.019 0.221 1.00 0.00 H new ATOM 357 N ALA A 21 7.592 0.973 -2.354 1.00 0.00 N ATOM 358 CA ALA A 21 7.663 2.378 -2.684 1.00 0.00 C ATOM 359 C ALA A 21 8.255 2.610 -4.070 1.00 0.00 C ATOM 360 O ALA A 21 7.568 3.147 -4.943 1.00 0.00 O ATOM 361 CB ALA A 21 8.446 3.148 -1.622 1.00 0.00 C ATOM 0 H ALA A 21 8.146 0.723 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 21 6.641 2.757 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.486 4.203 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.953 3.040 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.459 2.752 -1.558 1.00 0.00 H new ATOM 367 N GLN A 22 9.512 2.203 -4.274 1.00 0.00 N ATOM 368 CA GLN A 22 10.297 2.539 -5.456 1.00 0.00 C ATOM 369 C GLN A 22 9.544 2.116 -6.710 1.00 0.00 C ATOM 370 O GLN A 22 9.359 2.899 -7.642 1.00 0.00 O ATOM 371 CB GLN A 22 11.672 1.848 -5.384 1.00 0.00 C ATOM 372 CG GLN A 22 12.465 2.028 -6.691 1.00 0.00 C ATOM 373 CD GLN A 22 13.844 1.384 -6.640 1.00 0.00 C ATOM 374 OE1 GLN A 22 13.983 0.213 -6.292 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.889 2.107 -6.998 1.00 0.00 N ATOM 0 H GLN A 22 10.018 1.620 -3.607 1.00 0.00 H new ATOM 0 HA GLN A 22 10.455 3.617 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.243 2.259 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.536 0.785 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.898 1.597 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.574 3.092 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.763 3.078 -7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.822 1.695 -6.987 1.00 0.00 H new ATOM 384 N LYS A 23 9.102 0.862 -6.733 1.00 0.00 N ATOM 385 CA LYS A 23 8.405 0.256 -7.841 1.00 0.00 C ATOM 386 C LYS A 23 7.060 0.918 -8.165 1.00 0.00 C ATOM 387 O LYS A 23 6.561 0.739 -9.276 1.00 0.00 O ATOM 388 CB LYS A 23 8.381 -1.248 -7.526 1.00 0.00 C ATOM 389 CG LYS A 23 7.015 -1.671 -7.008 1.00 0.00 C ATOM 390 CD LYS A 23 7.015 -3.064 -6.408 1.00 0.00 C ATOM 391 CE LYS A 23 5.541 -3.433 -6.220 1.00 0.00 C ATOM 392 NZ LYS A 23 5.261 -4.696 -6.937 1.00 0.00 N ATOM 0 H LYS A 23 9.229 0.224 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 23 8.915 0.414 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.626 -1.816 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.144 -1.481 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.681 -0.957 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.295 -1.633 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.516 -3.774 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.547 -3.081 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.314 -3.545 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.903 -2.636 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.265 -4.960 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.447 -4.568 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.874 -5.449 -6.565 1.00 0.00 H new ATOM 406 N VAL A 24 6.465 1.660 -7.232 1.00 0.00 N ATOM 407 CA VAL A 24 5.198 2.364 -7.414 1.00 0.00 C ATOM 408 C VAL A 24 5.467 3.858 -7.681 1.00 0.00 C ATOM 409 O VAL A 24 4.595 4.567 -8.195 1.00 0.00 O ATOM 410 CB VAL A 24 4.335 2.095 -6.164 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.928 2.662 -6.243 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.053 0.594 -5.972 1.00 0.00 C ATOM 0 H VAL A 24 6.863 1.791 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 24 4.647 2.007 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 24 4.926 2.554 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.389 2.428 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.978 3.744 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.405 2.222 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.442 0.450 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.521 0.209 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.995 0.059 -5.857 1.00 0.00 H new ATOM 422 N GLY A 25 6.682 4.331 -7.394 1.00 0.00 N ATOM 423 CA GLY A 25 7.163 5.688 -7.610 1.00 0.00 C ATOM 424 C GLY A 25 7.065 6.550 -6.352 1.00 0.00 C ATOM 425 O GLY A 25 7.483 7.709 -6.363 1.00 0.00 O ATOM 0 H GLY A 25 7.398 3.735 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.200 5.654 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.586 6.152 -8.410 1.00 0.00 H new ATOM 429 N VAL A 26 6.515 6.021 -5.265 1.00 0.00 N ATOM 430 CA VAL A 26 6.226 6.770 -4.056 1.00 0.00 C ATOM 431 C VAL A 26 7.475 6.791 -3.165 1.00 0.00 C ATOM 432 O VAL A 26 8.479 6.151 -3.482 1.00 0.00 O ATOM 433 CB VAL A 26 4.966 6.171 -3.399 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.819 6.032 -4.411 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.152 4.781 -2.793 1.00 0.00 C ATOM 0 H VAL A 26 6.253 5.037 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 26 5.996 7.816 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 26 4.743 6.880 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.946 5.607 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.566 7.014 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.129 5.377 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.211 4.446 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.459 4.083 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.918 4.821 -2.019 1.00 0.00 H new ATOM 445 N ASP A 27 7.446 7.536 -2.062 1.00 0.00 N ATOM 446 CA ASP A 27 8.525 7.544 -1.092 1.00 0.00 C ATOM 447 C ASP A 27 8.431 6.276 -0.246 1.00 0.00 C ATOM 448 O ASP A 27 7.334 5.768 -0.014 1.00 0.00 O ATOM 449 CB ASP A 27 8.468 8.798 -0.186 1.00 0.00 C ATOM 450 CG ASP A 27 7.176 9.619 -0.149 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.834 10.279 -1.159 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.515 9.664 0.912 1.00 0.00 O ATOM 0 H ASP A 27 6.669 8.151 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 27 9.476 7.573 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.687 8.480 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.275 9.464 -0.492 1.00 0.00 H new ATOM 457 N GLN A 28 9.557 5.817 0.311 1.00 0.00 N ATOM 458 CA GLN A 28 9.571 4.765 1.331 1.00 0.00 C ATOM 459 C GLN A 28 8.649 5.167 2.480 1.00 0.00 C ATOM 460 O GLN A 28 7.850 4.353 2.954 1.00 0.00 O ATOM 461 CB GLN A 28 11.016 4.517 1.783 1.00 0.00 C ATOM 462 CG GLN A 28 11.155 3.401 2.831 1.00 0.00 C ATOM 463 CD GLN A 28 11.039 3.904 4.263 1.00 0.00 C ATOM 464 OE1 GLN A 28 11.853 4.716 4.695 1.00 0.00 O ATOM 465 NE2 GLN A 28 10.068 3.450 5.030 1.00 0.00 N ATOM 0 H GLN A 28 10.484 6.165 0.067 1.00 0.00 H new ATOM 0 HA GLN A 28 9.194 3.825 0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.621 4.263 0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.422 5.441 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.387 2.648 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.119 2.909 2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.398 2.776 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.986 3.773 5.994 1.00 0.00 H new ATOM 474 N GLN A 29 8.717 6.444 2.874 1.00 0.00 N ATOM 475 CA GLN A 29 7.806 7.015 3.842 1.00 0.00 C ATOM 476 C GLN A 29 6.345 6.811 3.438 1.00 0.00 C ATOM 477 O GLN A 29 5.527 6.574 4.314 1.00 0.00 O ATOM 478 CB GLN A 29 8.110 8.472 4.223 1.00 0.00 C ATOM 479 CG GLN A 29 7.933 8.627 5.747 1.00 0.00 C ATOM 480 CD GLN A 29 7.299 9.941 6.186 1.00 0.00 C ATOM 481 OE1 GLN A 29 6.085 10.035 6.321 1.00 0.00 O ATOM 482 NE2 GLN A 29 8.079 10.964 6.485 1.00 0.00 N ATOM 0 H GLN A 29 9.412 7.103 2.523 1.00 0.00 H new ATOM 0 HA GLN A 29 7.977 6.452 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.127 8.736 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.440 9.150 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.320 7.804 6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.909 8.534 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.090 10.885 6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.671 11.833 6.829 1.00 0.00 H new ATOM 491 N ALA A 30 5.967 7.003 2.170 1.00 0.00 N ATOM 492 CA ALA A 30 4.585 6.850 1.733 1.00 0.00 C ATOM 493 C ALA A 30 4.002 5.473 2.053 1.00 0.00 C ATOM 494 O ALA A 30 2.807 5.382 2.332 1.00 0.00 O ATOM 495 CB ALA A 30 4.426 7.130 0.238 1.00 0.00 C ATOM 0 H ALA A 30 6.611 7.268 1.424 1.00 0.00 H new ATOM 0 HA ALA A 30 4.024 7.592 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.381 7.005 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.741 8.151 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.043 6.434 -0.330 1.00 0.00 H new ATOM 501 N ILE A 31 4.799 4.403 2.026 1.00 0.00 N ATOM 502 CA ILE A 31 4.325 3.102 2.478 1.00 0.00 C ATOM 503 C ILE A 31 4.277 3.087 4.009 1.00 0.00 C ATOM 504 O ILE A 31 3.289 2.649 4.586 1.00 0.00 O ATOM 505 CB ILE A 31 5.200 1.981 1.891 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.301 2.050 0.353 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.661 0.610 2.320 1.00 0.00 C ATOM 508 CD1 ILE A 31 3.980 2.147 -0.424 1.00 0.00 C ATOM 0 H ILE A 31 5.765 4.415 1.699 1.00 0.00 H new ATOM 0 HA ILE A 31 3.313 2.920 2.117 1.00 0.00 H new ATOM 0 HB ILE A 31 6.206 2.122 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.913 2.913 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.834 1.164 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.288 -0.176 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.672 0.539 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.639 0.491 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.189 2.189 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.366 1.273 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.446 3.049 -0.123 1.00 0.00 H new ATOM 520 N GLU A 32 5.303 3.598 4.683 1.00 0.00 N ATOM 521 CA GLU A 32 5.394 3.593 6.142 1.00 0.00 C ATOM 522 C GLU A 32 4.245 4.388 6.791 1.00 0.00 C ATOM 523 O GLU A 32 3.662 3.983 7.802 1.00 0.00 O ATOM 524 CB GLU A 32 6.777 4.149 6.501 1.00 0.00 C ATOM 525 CG GLU A 32 7.001 4.343 8.002 1.00 0.00 C ATOM 526 CD GLU A 32 8.365 3.846 8.484 1.00 0.00 C ATOM 527 OE1 GLU A 32 9.402 4.051 7.811 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.382 3.248 9.585 1.00 0.00 O ATOM 0 H GLU A 32 6.105 4.033 4.227 1.00 0.00 H new ATOM 0 HA GLU A 32 5.286 2.582 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.540 3.473 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.914 5.106 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.903 5.402 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.218 3.818 8.549 1.00 0.00 H new ATOM 535 N GLN A 33 3.885 5.534 6.213 1.00 0.00 N ATOM 536 CA GLN A 33 2.749 6.310 6.666 1.00 0.00 C ATOM 537 C GLN A 33 1.473 5.506 6.430 1.00 0.00 C ATOM 538 O GLN A 33 0.597 5.517 7.284 1.00 0.00 O ATOM 539 CB GLN A 33 2.713 7.721 6.037 1.00 0.00 C ATOM 540 CG GLN A 33 2.127 7.741 4.619 1.00 0.00 C ATOM 541 CD GLN A 33 2.131 9.091 3.899 1.00 0.00 C ATOM 542 OE1 GLN A 33 2.254 9.155 2.679 1.00 0.00 O ATOM 543 NE2 GLN A 33 1.921 10.202 4.578 1.00 0.00 N ATOM 0 H GLN A 33 4.377 5.943 5.419 1.00 0.00 H new ATOM 0 HA GLN A 33 2.841 6.493 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.124 8.380 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.725 8.125 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.682 7.028 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.098 7.384 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.816 10.168 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.863 11.095 4.089 1.00 0.00 H new ATOM 552 N LEU A 34 1.344 4.816 5.293 1.00 0.00 N ATOM 553 CA LEU A 34 0.139 4.099 4.927 1.00 0.00 C ATOM 554 C LEU A 34 -0.082 2.978 5.917 1.00 0.00 C ATOM 555 O LEU A 34 -1.188 2.827 6.420 1.00 0.00 O ATOM 556 CB LEU A 34 0.307 3.509 3.520 1.00 0.00 C ATOM 557 CG LEU A 34 -0.456 4.318 2.477 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.002 3.892 1.082 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.977 4.147 2.555 1.00 0.00 C ATOM 0 H LEU A 34 2.088 4.744 4.599 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.715 4.777 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.365 3.484 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.047 2.478 3.512 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.237 5.366 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.539 4.466 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.071 4.076 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.199 2.830 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.451 4.752 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.234 3.099 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.329 4.468 3.535 1.00 0.00 H new ATOM 571 N GLU A 35 0.971 2.220 6.202 1.00 0.00 N ATOM 572 CA GLU A 35 0.921 1.031 7.038 1.00 0.00 C ATOM 573 C GLU A 35 0.555 1.396 8.479 1.00 0.00 C ATOM 574 O GLU A 35 -0.230 0.687 9.108 1.00 0.00 O ATOM 575 CB GLU A 35 2.225 0.230 6.891 1.00 0.00 C ATOM 576 CG GLU A 35 2.225 -0.422 5.493 1.00 0.00 C ATOM 577 CD GLU A 35 3.444 -1.281 5.161 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.370 -1.464 5.981 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.481 -1.825 4.038 1.00 0.00 O ATOM 0 H GLU A 35 1.906 2.423 5.848 1.00 0.00 H new ATOM 0 HA GLU A 35 0.124 0.368 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.090 0.884 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.295 -0.532 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.332 -1.040 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.145 0.367 4.745 1.00 0.00 H new ATOM 586 N ASN A 36 0.979 2.568 8.967 1.00 0.00 N ATOM 587 CA ASN A 36 0.573 3.097 10.267 1.00 0.00 C ATOM 588 C ASN A 36 -0.688 3.978 10.154 1.00 0.00 C ATOM 589 O ASN A 36 -1.099 4.644 11.106 1.00 0.00 O ATOM 590 CB ASN A 36 1.792 3.725 10.962 1.00 0.00 C ATOM 591 CG ASN A 36 1.813 5.234 11.043 1.00 0.00 C ATOM 592 OD1 ASN A 36 1.471 5.846 12.053 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.336 5.860 10.012 1.00 0.00 N ATOM 0 H ASN A 36 1.620 3.179 8.462 1.00 0.00 H new ATOM 0 HA ASN A 36 0.245 2.296 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.851 3.327 11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.690 3.398 10.439 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.464 6.871 10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.613 5.334 9.183 1.00 0.00 H new ATOM 600 N GLY A 37 -1.354 3.955 8.997 1.00 0.00 N ATOM 601 CA GLY A 37 -2.696 4.470 8.782 1.00 0.00 C ATOM 602 C GLY A 37 -2.757 5.985 8.628 1.00 0.00 C ATOM 603 O GLY A 37 -3.821 6.574 8.814 1.00 0.00 O ATOM 0 H GLY A 37 -0.948 3.557 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.114 4.006 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.327 4.174 9.620 1.00 0.00 H new ATOM 607 N LYS A 38 -1.628 6.648 8.381 1.00 0.00 N ATOM 608 CA LYS A 38 -1.560 8.098 8.245 1.00 0.00 C ATOM 609 C LYS A 38 -2.053 8.582 6.881 1.00 0.00 C ATOM 610 O LYS A 38 -2.623 9.671 6.830 1.00 0.00 O ATOM 611 CB LYS A 38 -0.132 8.582 8.565 1.00 0.00 C ATOM 612 CG LYS A 38 -0.086 9.346 9.897 1.00 0.00 C ATOM 613 CD LYS A 38 -0.519 10.810 9.733 1.00 0.00 C ATOM 614 CE LYS A 38 -0.953 11.392 11.081 1.00 0.00 C ATOM 615 NZ LYS A 38 -1.149 12.853 11.009 1.00 0.00 N ATOM 0 H LYS A 38 -0.726 6.186 8.269 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.242 8.544 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.542 7.727 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.224 9.226 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.736 8.854 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.926 9.310 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.304 11.396 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.341 10.875 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.880 10.916 11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.200 11.163 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.442 13.210 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.258 13.309 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.885 13.070 10.307 1.00 0.00 H new ATOM 629 N ALA A 39 -1.895 7.824 5.786 1.00 0.00 N ATOM 630 CA ALA A 39 -2.636 8.128 4.568 1.00 0.00 C ATOM 631 C ALA A 39 -3.965 7.377 4.626 1.00 0.00 C ATOM 632 O ALA A 39 -3.968 6.149 4.738 1.00 0.00 O ATOM 633 CB ALA A 39 -1.829 7.736 3.337 1.00 0.00 C ATOM 0 H ALA A 39 -1.275 7.016 5.724 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.824 9.199 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.399 7.971 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.890 8.290 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.619 6.667 3.365 1.00 0.00 H new ATOM 639 N LYS A 40 -5.089 8.092 4.559 1.00 0.00 N ATOM 640 CA LYS A 40 -6.410 7.489 4.404 1.00 0.00 C ATOM 641 C LYS A 40 -6.559 7.048 2.950 1.00 0.00 C ATOM 642 O LYS A 40 -6.696 5.859 2.679 1.00 0.00 O ATOM 643 CB LYS A 40 -7.477 8.494 4.867 1.00 0.00 C ATOM 644 CG LYS A 40 -8.866 7.909 5.138 1.00 0.00 C ATOM 645 CD LYS A 40 -9.615 7.363 3.912 1.00 0.00 C ATOM 646 CE LYS A 40 -11.115 7.499 4.189 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.962 6.658 3.325 1.00 0.00 N ATOM 0 H LYS A 40 -5.107 9.111 4.611 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.539 6.603 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.123 8.979 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.572 9.271 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.764 7.104 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.480 8.681 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.339 7.918 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.351 6.320 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.307 7.241 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.405 8.542 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.962 6.804 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.809 6.918 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.714 5.658 3.464 1.00 0.00 H new ATOM 661 N ARG A 41 -6.499 7.987 2.001 1.00 0.00 N ATOM 662 CA ARG A 41 -6.473 7.729 0.572 1.00 0.00 C ATOM 663 C ARG A 41 -5.185 8.370 0.050 1.00 0.00 C ATOM 664 O ARG A 41 -5.093 9.599 -0.001 1.00 0.00 O ATOM 665 CB ARG A 41 -7.740 8.301 -0.077 1.00 0.00 C ATOM 666 CG ARG A 41 -7.659 8.370 -1.605 1.00 0.00 C ATOM 667 CD ARG A 41 -9.034 8.702 -2.198 1.00 0.00 C ATOM 668 NE ARG A 41 -9.324 7.783 -3.299 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.516 7.482 -3.816 1.00 0.00 C ATOM 670 NH1 ARG A 41 -11.611 8.124 -3.439 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.606 6.516 -4.712 1.00 0.00 N ATOM 0 H ARG A 41 -6.466 8.982 2.223 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.471 6.666 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.595 7.687 0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.921 9.301 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.934 9.128 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.306 7.418 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.803 8.620 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.049 9.732 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.520 7.318 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.553 8.865 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.513 7.878 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.769 6.009 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.512 6.277 -5.115 1.00 0.00 H new ATOM 685 N PRO A 42 -4.165 7.591 -0.326 1.00 0.00 N ATOM 686 CA PRO A 42 -2.985 8.144 -0.971 1.00 0.00 C ATOM 687 C PRO A 42 -3.345 8.623 -2.386 1.00 0.00 C ATOM 688 O PRO A 42 -4.306 8.129 -2.981 1.00 0.00 O ATOM 689 CB PRO A 42 -1.986 6.991 -0.993 1.00 0.00 C ATOM 690 CG PRO A 42 -2.866 5.747 -1.076 1.00 0.00 C ATOM 691 CD PRO A 42 -4.119 6.141 -0.297 1.00 0.00 C ATOM 0 HA PRO A 42 -2.574 9.011 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.312 7.062 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.365 6.983 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.100 5.490 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.376 4.879 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.012 5.713 -0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.074 5.772 0.728 1.00 0.00 H new ATOM 699 N ARG A 43 -2.543 9.515 -2.977 1.00 0.00 N ATOM 700 CA ARG A 43 -2.728 9.965 -4.368 1.00 0.00 C ATOM 701 C ARG A 43 -2.428 8.885 -5.405 1.00 0.00 C ATOM 702 O ARG A 43 -2.676 9.082 -6.591 1.00 0.00 O ATOM 703 CB ARG A 43 -1.918 11.256 -4.634 1.00 0.00 C ATOM 704 CG ARG A 43 -0.381 11.136 -4.575 1.00 0.00 C ATOM 705 CD ARG A 43 0.287 10.744 -5.906 1.00 0.00 C ATOM 706 NE ARG A 43 1.711 10.419 -5.716 1.00 0.00 N ATOM 707 CZ ARG A 43 2.638 10.213 -6.661 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.367 10.358 -7.952 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.855 9.863 -6.284 1.00 0.00 N ATOM 0 H ARG A 43 -1.747 9.947 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.788 10.188 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.192 11.632 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.228 12.008 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.032 12.089 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.117 10.395 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.230 9.886 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.191 11.563 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 43 2.029 10.342 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.431 10.634 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.095 10.194 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.071 9.755 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.579 9.700 -6.984 1.00 0.00 H new ATOM 723 N PHE A 44 -1.871 7.756 -4.981 1.00 0.00 N ATOM 724 CA PHE A 44 -1.267 6.746 -5.835 1.00 0.00 C ATOM 725 C PHE A 44 -1.966 5.388 -5.683 1.00 0.00 C ATOM 726 O PHE A 44 -1.399 4.356 -6.034 1.00 0.00 O ATOM 727 CB PHE A 44 0.235 6.708 -5.505 1.00 0.00 C ATOM 728 CG PHE A 44 0.549 6.517 -4.032 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.447 5.240 -3.465 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.983 7.590 -3.231 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.776 5.019 -2.119 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.292 7.380 -1.875 1.00 0.00 C ATOM 733 CZ PHE A 44 1.185 6.095 -1.315 1.00 0.00 C ATOM 0 H PHE A 44 -1.827 7.512 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.390 6.997 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.698 5.900 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.693 7.637 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.110 4.413 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.079 8.577 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.715 4.024 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.613 8.209 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.416 5.936 -0.272 1.00 0.00 H new ATOM 743 N LEU A 45 -3.169 5.341 -5.099 1.00 0.00 N ATOM 744 CA LEU A 45 -3.819 4.117 -4.670 1.00 0.00 C ATOM 745 C LEU A 45 -3.970 3.058 -5.779 1.00 0.00 C ATOM 746 O LEU A 45 -3.648 1.908 -5.486 1.00 0.00 O ATOM 747 CB LEU A 45 -5.143 4.509 -3.995 1.00 0.00 C ATOM 748 CG LEU A 45 -5.822 3.378 -3.229 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.991 2.844 -2.057 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.170 3.859 -2.675 1.00 0.00 C ATOM 0 H LEU A 45 -3.723 6.177 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.181 3.604 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.956 5.335 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.829 4.878 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.947 2.566 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.537 2.042 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.041 2.460 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.803 3.650 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.650 3.047 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.007 4.702 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.812 4.171 -3.499 1.00 0.00 H new ATOM 762 N PRO A 46 -4.393 3.364 -7.024 1.00 0.00 N ATOM 763 CA PRO A 46 -4.442 2.347 -8.074 1.00 0.00 C ATOM 764 C PRO A 46 -3.062 1.869 -8.520 1.00 0.00 C ATOM 765 O PRO A 46 -2.922 0.699 -8.868 1.00 0.00 O ATOM 766 CB PRO A 46 -5.229 2.959 -9.234 1.00 0.00 C ATOM 767 CG PRO A 46 -5.090 4.460 -9.019 1.00 0.00 C ATOM 768 CD PRO A 46 -4.983 4.607 -7.505 1.00 0.00 C ATOM 0 HA PRO A 46 -4.927 1.449 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.822 2.654 -10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.274 2.648 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.207 4.855 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.950 5.001 -9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.363 5.463 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.963 4.773 -7.058 1.00 0.00 H new ATOM 776 N GLU A 47 -2.038 2.724 -8.488 1.00 0.00 N ATOM 777 CA GLU A 47 -0.688 2.345 -8.869 1.00 0.00 C ATOM 778 C GLU A 47 -0.123 1.406 -7.804 1.00 0.00 C ATOM 779 O GLU A 47 0.482 0.382 -8.125 1.00 0.00 O ATOM 780 CB GLU A 47 0.188 3.597 -9.007 1.00 0.00 C ATOM 781 CG GLU A 47 -0.135 4.454 -10.244 1.00 0.00 C ATOM 782 CD GLU A 47 -1.374 5.346 -10.094 1.00 0.00 C ATOM 783 OE1 GLU A 47 -1.482 6.077 -9.082 1.00 0.00 O ATOM 784 OE2 GLU A 47 -2.205 5.392 -11.034 1.00 0.00 O ATOM 0 H GLU A 47 -2.128 3.697 -8.196 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.701 1.833 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.072 4.210 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.234 3.293 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.726 5.084 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.279 3.794 -11.100 1.00 0.00 H new ATOM 791 N LEU A 48 -0.372 1.730 -6.528 1.00 0.00 N ATOM 792 CA LEU A 48 -0.028 0.877 -5.407 1.00 0.00 C ATOM 793 C LEU A 48 -0.690 -0.459 -5.614 1.00 0.00 C ATOM 794 O LEU A 48 0.015 -1.455 -5.636 1.00 0.00 O ATOM 795 CB LEU A 48 -0.459 1.481 -4.063 1.00 0.00 C ATOM 796 CG LEU A 48 -0.085 0.609 -2.850 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.430 0.620 -2.631 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.779 1.136 -1.593 1.00 0.00 C ATOM 0 H LEU A 48 -0.823 2.603 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 48 1.056 0.770 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.001 2.463 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.538 1.634 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.411 -0.412 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.678 -0.001 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.929 0.227 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.764 1.642 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.509 0.513 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.464 2.163 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.859 1.108 -1.735 1.00 0.00 H new ATOM 810 N ALA A 49 -2.016 -0.477 -5.753 1.00 0.00 N ATOM 811 CA ALA A 49 -2.783 -1.719 -5.818 1.00 0.00 C ATOM 812 C ALA A 49 -2.328 -2.579 -6.988 1.00 0.00 C ATOM 813 O ALA A 49 -2.153 -3.777 -6.793 1.00 0.00 O ATOM 814 CB ALA A 49 -4.278 -1.404 -5.963 1.00 0.00 C ATOM 0 H ALA A 49 -2.586 0.366 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.614 -2.272 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.843 -2.335 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.612 -0.821 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.442 -0.832 -6.876 1.00 0.00 H new ATOM 820 N ARG A 50 -2.077 -1.993 -8.161 1.00 0.00 N ATOM 821 CA ARG A 50 -1.558 -2.700 -9.326 1.00 0.00 C ATOM 822 C ARG A 50 -0.288 -3.439 -8.965 1.00 0.00 C ATOM 823 O ARG A 50 -0.210 -4.649 -9.164 1.00 0.00 O ATOM 824 CB ARG A 50 -1.277 -1.688 -10.450 1.00 0.00 C ATOM 825 CG ARG A 50 -2.499 -1.394 -11.328 1.00 0.00 C ATOM 826 CD ARG A 50 -2.695 -2.426 -12.446 1.00 0.00 C ATOM 827 NE ARG A 50 -1.616 -2.308 -13.441 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.508 -3.050 -13.544 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.396 -4.233 -12.947 1.00 0.00 N ATOM 830 NH2 ARG A 50 0.491 -2.562 -14.261 1.00 0.00 N ATOM 0 H ARG A 50 -2.232 -0.999 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.297 -3.426 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.924 -0.756 -10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.472 -2.069 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.392 -1.370 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.392 -0.403 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.704 -3.432 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.661 -2.273 -12.927 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.727 -1.570 -14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.169 -4.599 -12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.463 -4.775 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.399 -1.651 -14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.353 -3.097 -14.364 1.00 0.00 H new ATOM 844 N ALA A 51 0.695 -2.722 -8.427 1.00 0.00 N ATOM 845 CA ALA A 51 1.973 -3.319 -8.111 1.00 0.00 C ATOM 846 C ALA A 51 1.853 -4.273 -6.907 1.00 0.00 C ATOM 847 O ALA A 51 2.574 -5.266 -6.808 1.00 0.00 O ATOM 848 CB ALA A 51 3.006 -2.210 -7.899 1.00 0.00 C ATOM 0 H ALA A 51 0.624 -1.729 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 51 2.314 -3.935 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.972 -2.654 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.094 -1.616 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.688 -1.569 -7.077 1.00 0.00 H new ATOM 854 N LEU A 52 0.955 -4.006 -5.960 1.00 0.00 N ATOM 855 CA LEU A 52 0.606 -4.906 -4.868 1.00 0.00 C ATOM 856 C LEU A 52 -0.089 -6.167 -5.389 1.00 0.00 C ATOM 857 O LEU A 52 -0.018 -7.207 -4.739 1.00 0.00 O ATOM 858 CB LEU A 52 -0.294 -4.174 -3.857 1.00 0.00 C ATOM 859 CG LEU A 52 0.316 -3.912 -2.452 1.00 0.00 C ATOM 860 CD1 LEU A 52 -0.794 -3.717 -1.422 1.00 0.00 C ATOM 861 CD2 LEU A 52 1.357 -4.924 -1.933 1.00 0.00 C ATOM 0 H LEU A 52 0.435 -3.129 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 52 1.525 -5.216 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.583 -3.215 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.208 -4.755 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 52 0.897 -3.000 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.353 -3.534 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.410 -2.864 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.413 -4.613 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.698 -4.620 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.904 -5.913 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.206 -4.955 -2.616 1.00 0.00 H new ATOM 873 N GLY A 53 -0.734 -6.094 -6.551 1.00 0.00 N ATOM 874 CA GLY A 53 -1.301 -7.196 -7.316 1.00 0.00 C ATOM 875 C GLY A 53 -2.808 -7.354 -7.108 1.00 0.00 C ATOM 876 O GLY A 53 -3.324 -8.456 -7.312 1.00 0.00 O ATOM 0 H GLY A 53 -0.883 -5.197 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.101 -7.037 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.801 -8.123 -7.033 1.00 0.00 H new ATOM 880 N VAL A 54 -3.496 -6.307 -6.650 1.00 0.00 N ATOM 881 CA VAL A 54 -4.874 -6.334 -6.163 1.00 0.00 C ATOM 882 C VAL A 54 -5.659 -5.136 -6.729 1.00 0.00 C ATOM 883 O VAL A 54 -5.092 -4.271 -7.403 1.00 0.00 O ATOM 884 CB VAL A 54 -4.874 -6.355 -4.617 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.015 -7.478 -4.016 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.378 -5.022 -4.048 1.00 0.00 C ATOM 0 H VAL A 54 -3.087 -5.373 -6.607 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.374 -7.239 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.912 -6.535 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.063 -7.430 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.391 -8.444 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.981 -7.358 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.388 -5.065 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.362 -4.834 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.031 -4.217 -4.386 1.00 0.00 H new ATOM 896 N ALA A 55 -6.962 -5.063 -6.447 1.00 0.00 N ATOM 897 CA ALA A 55 -7.806 -3.923 -6.783 1.00 0.00 C ATOM 898 C ALA A 55 -7.738 -2.832 -5.705 1.00 0.00 C ATOM 899 O ALA A 55 -7.516 -3.120 -4.527 1.00 0.00 O ATOM 900 CB ALA A 55 -9.250 -4.414 -6.939 1.00 0.00 C ATOM 0 H ALA A 55 -7.466 -5.811 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.449 -3.484 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.895 -3.572 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.297 -5.158 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.585 -4.861 -6.003 1.00 0.00 H new ATOM 906 N VAL A 56 -8.056 -1.593 -6.080 1.00 0.00 N ATOM 907 CA VAL A 56 -8.375 -0.499 -5.169 1.00 0.00 C ATOM 908 C VAL A 56 -9.595 -0.874 -4.330 1.00 0.00 C ATOM 909 O VAL A 56 -9.620 -0.563 -3.145 1.00 0.00 O ATOM 910 CB VAL A 56 -8.606 0.788 -5.985 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.165 1.938 -5.144 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.285 1.236 -6.613 1.00 0.00 C ATOM 0 H VAL A 56 -8.099 -1.316 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.547 -0.317 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.346 0.549 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.306 2.815 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.122 1.643 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.466 2.176 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.447 2.146 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.556 1.430 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.910 0.451 -7.270 1.00 0.00 H new ATOM 922 N ASP A 57 -10.572 -1.588 -4.896 1.00 0.00 N ATOM 923 CA ASP A 57 -11.692 -2.114 -4.120 1.00 0.00 C ATOM 924 C ASP A 57 -11.235 -3.011 -2.984 1.00 0.00 C ATOM 925 O ASP A 57 -11.715 -2.841 -1.872 1.00 0.00 O ATOM 926 CB ASP A 57 -12.657 -2.903 -5.004 1.00 0.00 C ATOM 927 CG ASP A 57 -13.976 -3.176 -4.297 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.728 -2.218 -4.025 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.290 -4.364 -4.049 1.00 0.00 O ATOM 0 H ASP A 57 -10.607 -1.814 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.199 -1.246 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.845 -2.347 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.196 -3.848 -5.292 1.00 0.00 H new ATOM 934 N TRP A 58 -10.287 -3.920 -3.224 1.00 0.00 N ATOM 935 CA TRP A 58 -9.730 -4.741 -2.157 1.00 0.00 C ATOM 936 C TRP A 58 -8.965 -3.859 -1.178 1.00 0.00 C ATOM 937 O TRP A 58 -9.011 -4.097 0.024 1.00 0.00 O ATOM 938 CB TRP A 58 -8.799 -5.805 -2.733 1.00 0.00 C ATOM 939 CG TRP A 58 -8.003 -6.574 -1.721 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.346 -7.755 -1.179 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.737 -6.225 -1.098 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.411 -8.149 -0.241 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.397 -7.219 -0.138 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.847 -5.150 -1.247 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.262 -7.094 0.678 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.651 -5.078 -0.516 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.377 -6.029 0.471 1.00 0.00 C ATOM 0 H TRP A 58 -9.893 -4.103 -4.147 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.546 -5.239 -1.634 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.394 -6.509 -3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -8.108 -5.324 -3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.230 -8.318 -1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.463 -9.011 0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.088 -4.359 -1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.073 -7.814 1.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.942 -4.288 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.484 -5.942 1.073 1.00 0.00 H new ATOM 958 N LEU A 59 -8.244 -2.849 -1.664 1.00 0.00 N ATOM 959 CA LEU A 59 -7.517 -1.947 -0.792 1.00 0.00 C ATOM 960 C LEU A 59 -8.446 -1.193 0.140 1.00 0.00 C ATOM 961 O LEU A 59 -8.106 -1.031 1.306 1.00 0.00 O ATOM 962 CB LEU A 59 -6.596 -1.003 -1.571 1.00 0.00 C ATOM 963 CG LEU A 59 -5.145 -1.494 -1.704 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.307 -0.484 -2.488 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.445 -1.664 -0.350 1.00 0.00 C ATOM 0 H LEU A 59 -8.152 -2.641 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.872 -2.566 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.009 -0.854 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.593 -0.030 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.212 -2.457 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.283 -0.848 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.730 -0.356 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.310 0.473 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.425 -2.012 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.425 -0.707 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.988 -2.393 0.251 1.00 0.00 H new ATOM 977 N LEU A 60 -9.571 -0.688 -0.354 1.00 0.00 N ATOM 978 CA LEU A 60 -10.518 0.035 0.473 1.00 0.00 C ATOM 979 C LEU A 60 -11.322 -0.960 1.301 1.00 0.00 C ATOM 980 O LEU A 60 -11.295 -0.925 2.529 1.00 0.00 O ATOM 981 CB LEU A 60 -11.407 0.900 -0.434 1.00 0.00 C ATOM 982 CG LEU A 60 -10.649 2.118 -1.006 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.502 2.793 -2.079 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.294 3.159 0.070 1.00 0.00 C ATOM 0 H LEU A 60 -9.847 -0.770 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.006 0.699 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.786 0.292 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.272 1.246 0.132 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.716 1.742 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.966 3.652 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.706 2.084 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.443 3.125 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.763 3.992 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.208 3.526 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.659 2.698 0.827 1.00 0.00 H new ATOM 996 N ASN A 61 -12.077 -1.821 0.624 1.00 0.00 N ATOM 997 CA ASN A 61 -13.129 -2.647 1.194 1.00 0.00 C ATOM 998 C ASN A 61 -12.602 -3.960 1.769 1.00 0.00 C ATOM 999 O ASN A 61 -13.134 -4.398 2.791 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.244 -2.886 0.163 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.853 -1.570 -0.289 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.480 -0.872 0.510 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.632 -1.139 -1.519 1.00 0.00 N ATOM 0 H ASN A 61 -11.965 -1.966 -0.379 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.550 -2.098 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.841 -3.420 -0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.017 -3.519 0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.981 -0.226 -1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.113 -1.720 -2.177 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.548 -4.564 1.204 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.829 -5.668 1.838 1.00 0.00 C ATOM 1012 C GLY A 62 -11.127 -7.052 1.284 1.00 0.00 C ATOM 1013 O GLY A 62 -10.650 -8.036 1.852 1.00 0.00 O ATOM 0 H GLY A 62 -11.173 -4.298 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.759 -5.482 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.061 -5.665 2.903 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.886 -7.156 0.193 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.604 -8.363 -0.194 1.00 0.00 C ATOM 1019 C ALA A 63 -13.378 -8.895 1.013 1.00 0.00 C ATOM 1020 O ALA A 63 -14.143 -9.858 0.885 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.681 -9.407 -0.837 1.00 0.00 C ATOM 0 H ALA A 63 -12.020 -6.383 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.325 -8.118 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.262 -10.288 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.222 -8.985 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.902 -9.690 -0.129 1.00 0.00 H new TER 1027 ALA A 63