USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 539 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 45 TYR OH : rot -149:sc= -0.828! USER MOD Set 1.2: A 48 THR OG1 : rot 79:sc= 0.652 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.212 USER MOD Set 2.2: A 63 THR OG1 : rot -40:sc= 0.307 USER MOD Set 3.1: A 9 TYR OH : rot 0:sc= 1.49 USER MOD Set 3.2: A 35 TYR OH : rot 30:sc= 0.571 USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0.575 (180deg=0.471) USER MOD Single : A 18 GLN : amide:sc= -3.41! K(o=-3.4!,f=-1.8) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 34 THR OG1 : rot 39:sc= 0.348 USER MOD Single : A 36 THR OG1 : rot 35:sc= 0.39 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 110:sc= -0.228 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -138:sc= 0.291 (180deg=-0.175) USER MOD Single : A 59 THR OG1 : rot 160:sc= -0.158 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.11) USER MOD Single : A 75 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.36) USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= 0.42 (180deg=0.209) USER MOD Single : A 78 HIS : no HE2:sc=-0.00743 X(o=-0.0074,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -4.956 20.603 0.195 1.00 14.44 N ATOM 21 CA ASP A 2 -4.565 19.679 -0.892 1.00 71.01 C ATOM 22 C ASP A 2 -3.644 18.576 -0.281 1.00 32.04 C ATOM 23 O ASP A 2 -2.412 18.686 -0.263 1.00 61.11 O ATOM 24 CB ASP A 2 -3.908 20.436 -2.099 1.00 41.24 C ATOM 25 CG ASP A 2 -2.937 21.564 -1.689 1.00 23.45 C ATOM 26 OD1 ASP A 2 -1.759 21.282 -1.395 1.00 13.22 O ATOM 27 OD2 ASP A 2 -3.349 22.745 -1.660 1.00 4.23 O ATOM 0 HA ASP A 2 -5.449 19.203 -1.316 1.00 71.01 H new ATOM 0 HB2 ASP A 2 -3.370 19.716 -2.715 1.00 41.24 H new ATOM 0 HB3 ASP A 2 -4.697 20.860 -2.720 1.00 41.24 H new ATOM 32 N GLU A 3 -4.285 17.526 0.257 1.00 41.34 N ATOM 33 CA GLU A 3 -3.657 16.548 1.179 1.00 32.43 C ATOM 34 C GLU A 3 -3.056 15.340 0.438 1.00 13.14 C ATOM 35 O GLU A 3 -3.453 15.016 -0.676 1.00 22.12 O ATOM 36 CB GLU A 3 -4.714 16.065 2.220 1.00 41.24 C ATOM 37 CG GLU A 3 -5.082 17.095 3.314 1.00 61.11 C ATOM 38 CD GLU A 3 -5.616 18.440 2.797 1.00 22.25 C ATOM 39 OE1 GLU A 3 -6.731 18.475 2.235 1.00 61.01 O ATOM 40 OE2 GLU A 3 -4.922 19.471 2.952 1.00 14.44 O ATOM 0 H GLU A 3 -5.266 17.324 0.066 1.00 41.34 H new ATOM 0 HA GLU A 3 -2.833 17.053 1.684 1.00 32.43 H new ATOM 0 HB2 GLU A 3 -5.623 15.785 1.687 1.00 41.24 H new ATOM 0 HB3 GLU A 3 -4.338 15.164 2.704 1.00 41.24 H new ATOM 0 HG2 GLU A 3 -5.833 16.652 3.969 1.00 61.11 H new ATOM 0 HG3 GLU A 3 -4.199 17.284 3.924 1.00 61.11 H new ATOM 47 N ASP A 4 -2.107 14.662 1.098 1.00 5.14 N ATOM 48 CA ASP A 4 -1.420 13.479 0.539 1.00 14.44 C ATOM 49 C ASP A 4 -2.034 12.151 1.033 1.00 23.25 C ATOM 50 O ASP A 4 -2.783 12.112 2.016 1.00 63.44 O ATOM 51 CB ASP A 4 0.085 13.525 0.903 1.00 62.30 C ATOM 52 CG ASP A 4 0.798 14.745 0.313 1.00 2.24 C ATOM 53 OD1 ASP A 4 1.106 14.739 -0.899 1.00 33.14 O ATOM 54 OD2 ASP A 4 1.053 15.716 1.054 1.00 21.40 O ATOM 0 H ASP A 4 -1.791 14.914 2.034 1.00 5.14 H new ATOM 0 HA ASP A 4 -1.546 13.514 -0.543 1.00 14.44 H new ATOM 0 HB2 ASP A 4 0.192 13.536 1.988 1.00 62.30 H new ATOM 0 HB3 ASP A 4 0.570 12.617 0.544 1.00 62.30 H new ATOM 59 N ALA A 5 -1.714 11.078 0.294 1.00 5.21 N ATOM 60 CA ALA A 5 -1.967 9.684 0.699 1.00 74.33 C ATOM 61 C ALA A 5 -0.770 8.827 0.245 1.00 32.13 C ATOM 62 O ALA A 5 -0.501 8.711 -0.955 1.00 30.43 O ATOM 63 CB ALA A 5 -3.284 9.162 0.108 1.00 3.41 C ATOM 0 H ALA A 5 -1.264 11.154 -0.618 1.00 5.21 H new ATOM 0 HA ALA A 5 -2.070 9.628 1.783 1.00 74.33 H new ATOM 0 HB1 ALA A 5 -3.442 8.131 0.425 1.00 3.41 H new ATOM 0 HB2 ALA A 5 -4.110 9.780 0.459 1.00 3.41 H new ATOM 0 HB3 ALA A 5 -3.236 9.203 -0.980 1.00 3.41 H new ATOM 69 N THR A 6 -0.071 8.221 1.208 1.00 70.22 N ATOM 70 CA THR A 6 1.234 7.559 0.977 1.00 14.31 C ATOM 71 C THR A 6 1.099 6.023 0.960 1.00 53.44 C ATOM 72 O THR A 6 0.609 5.433 1.905 1.00 23.32 O ATOM 73 CB THR A 6 2.237 8.001 2.101 1.00 21.01 C ATOM 74 OG1 THR A 6 2.491 9.411 1.988 1.00 33.53 O ATOM 75 CG2 THR A 6 3.573 7.252 2.089 1.00 52.40 C ATOM 0 H THR A 6 -0.388 8.171 2.176 1.00 70.22 H new ATOM 0 HA THR A 6 1.608 7.863 -0.001 1.00 14.31 H new ATOM 0 HB THR A 6 1.754 7.753 3.046 1.00 21.01 H new ATOM 0 HG1 THR A 6 3.116 9.688 2.690 1.00 33.53 H new ATOM 0 HG21 THR A 6 4.204 7.620 2.898 1.00 52.40 H new ATOM 0 HG22 THR A 6 3.394 6.186 2.226 1.00 52.40 H new ATOM 0 HG23 THR A 6 4.074 7.416 1.135 1.00 52.40 H new ATOM 83 N ILE A 7 1.562 5.388 -0.124 1.00 0.05 N ATOM 84 CA ILE A 7 1.598 3.910 -0.259 1.00 43.43 C ATOM 85 C ILE A 7 3.063 3.436 -0.178 1.00 43.04 C ATOM 86 O ILE A 7 3.906 3.919 -0.930 1.00 2.41 O ATOM 87 CB ILE A 7 0.963 3.388 -1.618 1.00 61.12 C ATOM 88 CG1 ILE A 7 -0.553 3.774 -1.769 1.00 71.11 C ATOM 89 CG2 ILE A 7 1.131 1.847 -1.749 1.00 24.31 C ATOM 90 CD1 ILE A 7 -0.856 5.227 -2.126 1.00 24.13 C ATOM 0 H ILE A 7 1.926 5.879 -0.941 1.00 0.05 H new ATOM 0 HA ILE A 7 0.998 3.500 0.553 1.00 43.43 H new ATOM 0 HB ILE A 7 1.507 3.884 -2.422 1.00 61.12 H new ATOM 0 HG12 ILE A 7 -0.992 3.136 -2.536 1.00 71.11 H new ATOM 0 HG13 ILE A 7 -1.059 3.541 -0.832 1.00 71.11 H new ATOM 0 HG21 ILE A 7 0.689 1.511 -2.687 1.00 24.31 H new ATOM 0 HG22 ILE A 7 2.191 1.594 -1.737 1.00 24.31 H new ATOM 0 HG23 ILE A 7 0.631 1.354 -0.915 1.00 24.31 H new ATOM 0 HD11 ILE A 7 -1.934 5.366 -2.201 1.00 24.13 H new ATOM 0 HD12 ILE A 7 -0.459 5.883 -1.351 1.00 24.13 H new ATOM 0 HD13 ILE A 7 -0.391 5.472 -3.081 1.00 24.13 H new ATOM 102 N THR A 8 3.363 2.479 0.715 1.00 61.42 N ATOM 103 CA THR A 8 4.739 1.953 0.885 1.00 11.22 C ATOM 104 C THR A 8 4.756 0.411 0.889 1.00 51.14 C ATOM 105 O THR A 8 4.232 -0.222 1.806 1.00 41.24 O ATOM 106 CB THR A 8 5.383 2.491 2.209 1.00 74.44 C ATOM 107 OG1 THR A 8 5.330 3.931 2.218 1.00 30.24 O ATOM 108 CG2 THR A 8 6.853 2.038 2.383 1.00 65.42 C ATOM 0 H THR A 8 2.675 2.050 1.334 1.00 61.42 H new ATOM 0 HA THR A 8 5.326 2.303 0.036 1.00 11.22 H new ATOM 0 HB THR A 8 4.810 2.076 3.038 1.00 74.44 H new ATOM 0 HG1 THR A 8 5.731 4.268 3.046 1.00 30.24 H new ATOM 0 HG21 THR A 8 7.249 2.439 3.316 1.00 65.42 H new ATOM 0 HG22 THR A 8 6.898 0.949 2.408 1.00 65.42 H new ATOM 0 HG23 THR A 8 7.449 2.407 1.548 1.00 65.42 H new ATOM 116 N TYR A 9 5.348 -0.182 -0.161 1.00 61.24 N ATOM 117 CA TYR A 9 5.630 -1.632 -0.213 1.00 3.41 C ATOM 118 C TYR A 9 6.914 -1.943 0.593 1.00 35.10 C ATOM 119 O TYR A 9 7.941 -1.291 0.400 1.00 11.01 O ATOM 120 CB TYR A 9 5.789 -2.104 -1.684 1.00 64.45 C ATOM 121 CG TYR A 9 4.499 -1.994 -2.518 1.00 34.32 C ATOM 122 CD1 TYR A 9 4.090 -0.771 -3.065 1.00 33.55 C ATOM 123 CD2 TYR A 9 3.680 -3.106 -2.737 1.00 73.34 C ATOM 124 CE1 TYR A 9 2.930 -0.669 -3.801 1.00 44.13 C ATOM 125 CE2 TYR A 9 2.515 -3.004 -3.471 1.00 0.22 C ATOM 126 CZ TYR A 9 2.143 -1.784 -3.998 1.00 32.11 C ATOM 127 OH TYR A 9 0.979 -1.678 -4.720 1.00 40.31 O ATOM 0 H TYR A 9 5.644 0.324 -0.995 1.00 61.24 H new ATOM 0 HA TYR A 9 4.792 -2.170 0.229 1.00 3.41 H new ATOM 0 HB2 TYR A 9 6.570 -1.513 -2.162 1.00 64.45 H new ATOM 0 HB3 TYR A 9 6.125 -3.141 -1.688 1.00 64.45 H new ATOM 0 HD1 TYR A 9 4.696 0.109 -2.907 1.00 33.55 H new ATOM 0 HD2 TYR A 9 3.964 -4.063 -2.324 1.00 73.34 H new ATOM 0 HE1 TYR A 9 2.638 0.281 -4.222 1.00 44.13 H new ATOM 0 HE2 TYR A 9 1.897 -3.875 -3.632 1.00 0.22 H new ATOM 0 HH TYR A 9 0.861 -0.751 -5.017 1.00 40.31 H new ATOM 137 N VAL A 10 6.828 -2.913 1.518 1.00 23.43 N ATOM 138 CA VAL A 10 7.973 -3.401 2.333 1.00 63.22 C ATOM 139 C VAL A 10 7.961 -4.945 2.369 1.00 1.13 C ATOM 140 O VAL A 10 6.897 -5.559 2.201 1.00 55.44 O ATOM 141 CB VAL A 10 7.947 -2.837 3.810 1.00 11.51 C ATOM 142 CG1 VAL A 10 8.118 -1.299 3.841 1.00 63.24 C ATOM 143 CG2 VAL A 10 6.663 -3.266 4.562 1.00 62.22 C ATOM 0 H VAL A 10 5.953 -3.392 1.730 1.00 23.43 H new ATOM 0 HA VAL A 10 8.887 -3.039 1.862 1.00 63.22 H new ATOM 0 HB VAL A 10 8.799 -3.274 4.330 1.00 11.51 H new ATOM 0 HG11 VAL A 10 8.095 -0.951 4.874 1.00 63.24 H new ATOM 0 HG12 VAL A 10 9.073 -1.030 3.389 1.00 63.24 H new ATOM 0 HG13 VAL A 10 7.307 -0.831 3.282 1.00 63.24 H new ATOM 0 HG21 VAL A 10 6.681 -2.860 5.573 1.00 62.22 H new ATOM 0 HG22 VAL A 10 5.788 -2.887 4.034 1.00 62.22 H new ATOM 0 HG23 VAL A 10 6.615 -4.354 4.609 1.00 62.22 H new ATOM 153 N ASP A 11 9.133 -5.587 2.583 1.00 64.54 N ATOM 154 CA ASP A 11 9.213 -7.061 2.613 1.00 20.34 C ATOM 155 C ASP A 11 9.402 -7.608 4.062 1.00 22.02 C ATOM 156 O ASP A 11 10.341 -7.244 4.772 1.00 11.22 O ATOM 157 CB ASP A 11 10.301 -7.593 1.629 1.00 71.21 C ATOM 158 CG ASP A 11 11.735 -7.553 2.165 1.00 64.35 C ATOM 159 OD1 ASP A 11 12.328 -6.463 2.231 1.00 12.04 O ATOM 160 OD2 ASP A 11 12.266 -8.624 2.525 1.00 21.42 O ATOM 0 H ASP A 11 10.023 -5.113 2.735 1.00 64.54 H new ATOM 0 HA ASP A 11 8.255 -7.446 2.265 1.00 20.34 H new ATOM 0 HB2 ASP A 11 10.057 -8.622 1.363 1.00 71.21 H new ATOM 0 HB3 ASP A 11 10.256 -7.008 0.711 1.00 71.21 H new ATOM 165 N ASP A 12 8.463 -8.476 4.466 1.00 12.14 N ATOM 166 CA ASP A 12 8.482 -9.257 5.721 1.00 23.14 C ATOM 167 C ASP A 12 9.830 -9.996 5.967 1.00 21.03 C ATOM 168 O ASP A 12 10.307 -10.069 7.107 1.00 11.34 O ATOM 169 CB ASP A 12 7.311 -10.276 5.632 1.00 44.33 C ATOM 170 CG ASP A 12 7.214 -11.240 6.827 1.00 0.35 C ATOM 171 OD1 ASP A 12 6.600 -10.877 7.847 1.00 23.41 O ATOM 172 OD2 ASP A 12 7.744 -12.372 6.743 1.00 24.41 O ATOM 0 H ASP A 12 7.632 -8.664 3.906 1.00 12.14 H new ATOM 0 HA ASP A 12 8.369 -8.578 6.566 1.00 23.14 H new ATOM 0 HB2 ASP A 12 6.373 -9.727 5.547 1.00 44.33 H new ATOM 0 HB3 ASP A 12 7.422 -10.860 4.718 1.00 44.33 H new ATOM 177 N ASP A 13 10.429 -10.529 4.881 1.00 3.33 N ATOM 178 CA ASP A 13 11.611 -11.423 4.947 1.00 53.24 C ATOM 179 C ASP A 13 12.873 -10.720 5.530 1.00 22.31 C ATOM 180 O ASP A 13 13.667 -11.352 6.239 1.00 1.22 O ATOM 181 CB ASP A 13 11.893 -11.985 3.532 1.00 24.03 C ATOM 182 CG ASP A 13 13.056 -12.997 3.482 1.00 31.44 C ATOM 183 OD1 ASP A 13 12.854 -14.156 3.902 1.00 54.42 O ATOM 184 OD2 ASP A 13 14.169 -12.638 3.027 1.00 43.10 O ATOM 0 H ASP A 13 10.107 -10.352 3.929 1.00 3.33 H new ATOM 0 HA ASP A 13 11.381 -12.237 5.635 1.00 53.24 H new ATOM 0 HB2 ASP A 13 10.990 -12.465 3.156 1.00 24.03 H new ATOM 0 HB3 ASP A 13 12.116 -11.156 2.860 1.00 24.03 H new ATOM 189 N LYS A 14 13.028 -9.406 5.263 1.00 2.31 N ATOM 190 CA LYS A 14 14.222 -8.612 5.679 1.00 33.34 C ATOM 191 C LYS A 14 13.836 -7.550 6.741 1.00 50.52 C ATOM 192 O LYS A 14 14.474 -6.493 6.849 1.00 65.32 O ATOM 193 CB LYS A 14 14.910 -7.970 4.410 1.00 54.42 C ATOM 194 CG LYS A 14 16.343 -8.474 4.070 1.00 52.04 C ATOM 195 CD LYS A 14 16.443 -10.008 3.758 1.00 31.42 C ATOM 196 CE LYS A 14 16.692 -10.889 5.003 1.00 73.33 C ATOM 197 NZ LYS A 14 16.662 -12.344 4.694 1.00 52.00 N ATOM 0 H LYS A 14 12.334 -8.859 4.754 1.00 2.31 H new ATOM 0 HA LYS A 14 14.948 -9.275 6.149 1.00 33.34 H new ATOM 0 HB2 LYS A 14 14.270 -8.151 3.546 1.00 54.42 H new ATOM 0 HB3 LYS A 14 14.953 -6.890 4.554 1.00 54.42 H new ATOM 0 HG2 LYS A 14 16.714 -7.917 3.209 1.00 52.04 H new ATOM 0 HG3 LYS A 14 17.002 -8.244 4.907 1.00 52.04 H new ATOM 0 HD2 LYS A 14 15.520 -10.331 3.276 1.00 31.42 H new ATOM 0 HD3 LYS A 14 17.250 -10.171 3.043 1.00 31.42 H new ATOM 0 HE2 LYS A 14 17.659 -10.634 5.436 1.00 73.33 H new ATOM 0 HE3 LYS A 14 15.937 -10.667 5.757 1.00 73.33 H new ATOM 0 HZ1 LYS A 14 16.596 -12.886 5.579 1.00 52.00 H new ATOM 0 HZ2 LYS A 14 15.837 -12.555 4.097 1.00 52.00 H new ATOM 0 HZ3 LYS A 14 17.532 -12.610 4.190 1.00 52.00 H new ATOM 211 N GLY A 15 12.813 -7.881 7.553 1.00 21.11 N ATOM 212 CA GLY A 15 12.367 -7.020 8.660 1.00 24.23 C ATOM 213 C GLY A 15 11.684 -5.715 8.231 1.00 30.34 C ATOM 214 O GLY A 15 11.716 -4.722 8.969 1.00 52.31 O ATOM 0 H GLY A 15 12.279 -8.745 7.460 1.00 21.11 H new ATOM 0 HA2 GLY A 15 11.676 -7.586 9.285 1.00 24.23 H new ATOM 0 HA3 GLY A 15 13.229 -6.775 9.280 1.00 24.23 H new ATOM 218 N GLY A 16 11.047 -5.733 7.051 1.00 55.44 N ATOM 219 CA GLY A 16 10.296 -4.578 6.533 1.00 52.14 C ATOM 220 C GLY A 16 11.153 -3.574 5.752 1.00 21.13 C ATOM 221 O GLY A 16 11.168 -2.376 6.079 1.00 44.04 O ATOM 0 H GLY A 16 11.037 -6.543 6.431 1.00 55.44 H new ATOM 0 HA2 GLY A 16 9.497 -4.939 5.885 1.00 52.14 H new ATOM 0 HA3 GLY A 16 9.822 -4.062 7.368 1.00 52.14 H new ATOM 225 N ALA A 17 11.869 -4.053 4.711 1.00 14.43 N ATOM 226 CA ALA A 17 12.681 -3.179 3.824 1.00 24.21 C ATOM 227 C ALA A 17 11.894 -2.812 2.542 1.00 3.20 C ATOM 228 O ALA A 17 11.210 -3.656 1.967 1.00 54.10 O ATOM 229 CB ALA A 17 14.017 -3.857 3.486 1.00 73.31 C ATOM 0 H ALA A 17 11.903 -5.041 4.461 1.00 14.43 H new ATOM 0 HA ALA A 17 12.897 -2.251 4.353 1.00 24.21 H new ATOM 0 HB1 ALA A 17 14.601 -3.206 2.836 1.00 73.31 H new ATOM 0 HB2 ALA A 17 14.572 -4.045 4.405 1.00 73.31 H new ATOM 0 HB3 ALA A 17 13.827 -4.802 2.977 1.00 73.31 H new ATOM 235 N GLN A 18 12.022 -1.548 2.104 1.00 74.53 N ATOM 236 CA GLN A 18 11.233 -0.973 0.981 1.00 70.45 C ATOM 237 C GLN A 18 11.472 -1.708 -0.376 1.00 25.21 C ATOM 238 O GLN A 18 12.609 -1.846 -0.841 1.00 1.43 O ATOM 239 CB GLN A 18 11.554 0.548 0.861 1.00 32.24 C ATOM 240 CG GLN A 18 10.982 1.259 -0.390 1.00 64.20 C ATOM 241 CD GLN A 18 11.275 2.766 -0.401 1.00 34.44 C ATOM 242 OE1 GLN A 18 11.264 3.427 0.635 1.00 50.34 O ATOM 243 NE2 GLN A 18 11.612 3.309 -1.549 1.00 11.53 N ATOM 0 H GLN A 18 12.678 -0.885 2.517 1.00 74.53 H new ATOM 0 HA GLN A 18 10.176 -1.114 1.208 1.00 70.45 H new ATOM 0 HB2 GLN A 18 11.172 1.052 1.749 1.00 32.24 H new ATOM 0 HB3 GLN A 18 12.637 0.673 0.864 1.00 32.24 H new ATOM 0 HG2 GLN A 18 11.404 0.804 -1.286 1.00 64.20 H new ATOM 0 HG3 GLN A 18 9.904 1.102 -0.431 1.00 64.20 H new ATOM 0 HE21 GLN A 18 11.615 2.745 -2.399 1.00 11.53 H new ATOM 0 HE22 GLN A 18 11.870 4.295 -1.591 1.00 11.53 H new ATOM 252 N VAL A 19 10.363 -2.170 -0.991 1.00 14.24 N ATOM 253 CA VAL A 19 10.357 -2.843 -2.311 1.00 70.44 C ATOM 254 C VAL A 19 9.963 -1.817 -3.407 1.00 32.35 C ATOM 255 O VAL A 19 8.810 -1.367 -3.452 1.00 75.53 O ATOM 256 CB VAL A 19 9.342 -4.058 -2.330 1.00 43.21 C ATOM 257 CG1 VAL A 19 9.403 -4.835 -3.669 1.00 12.23 C ATOM 258 CG2 VAL A 19 9.575 -4.998 -1.124 1.00 51.23 C ATOM 0 H VAL A 19 9.433 -2.086 -0.581 1.00 14.24 H new ATOM 0 HA VAL A 19 11.356 -3.233 -2.505 1.00 70.44 H new ATOM 0 HB VAL A 19 8.337 -3.645 -2.242 1.00 43.21 H new ATOM 0 HG11 VAL A 19 8.692 -5.661 -3.643 1.00 12.23 H new ATOM 0 HG12 VAL A 19 9.150 -4.165 -4.491 1.00 12.23 H new ATOM 0 HG13 VAL A 19 10.409 -5.227 -3.817 1.00 12.23 H new ATOM 0 HG21 VAL A 19 8.864 -5.823 -1.163 1.00 51.23 H new ATOM 0 HG22 VAL A 19 10.591 -5.392 -1.161 1.00 51.23 H new ATOM 0 HG23 VAL A 19 9.435 -4.442 -0.197 1.00 51.23 H new ATOM 268 N GLY A 20 10.930 -1.446 -4.266 1.00 34.11 N ATOM 269 CA GLY A 20 10.712 -0.430 -5.306 1.00 52.21 C ATOM 270 C GLY A 20 10.808 0.995 -4.749 1.00 11.42 C ATOM 271 O GLY A 20 11.898 1.437 -4.368 1.00 65.43 O ATOM 0 H GLY A 20 11.872 -1.837 -4.258 1.00 34.11 H new ATOM 0 HA2 GLY A 20 11.449 -0.559 -6.099 1.00 52.21 H new ATOM 0 HA3 GLY A 20 9.730 -0.577 -5.756 1.00 52.21 H new ATOM 275 N ASP A 21 9.670 1.708 -4.681 1.00 73.24 N ATOM 276 CA ASP A 21 9.600 3.055 -4.074 1.00 74.14 C ATOM 277 C ASP A 21 8.214 3.338 -3.445 1.00 53.31 C ATOM 278 O ASP A 21 7.305 2.497 -3.481 1.00 40.24 O ATOM 279 CB ASP A 21 9.991 4.152 -5.102 1.00 64.52 C ATOM 280 CG ASP A 21 9.095 4.182 -6.350 1.00 70.43 C ATOM 281 OD1 ASP A 21 7.992 4.773 -6.293 1.00 70.22 O ATOM 282 OD2 ASP A 21 9.486 3.616 -7.397 1.00 44.31 O ATOM 0 H ASP A 21 8.777 1.372 -5.042 1.00 73.24 H new ATOM 0 HA ASP A 21 10.327 3.081 -3.262 1.00 74.14 H new ATOM 0 HB2 ASP A 21 9.950 5.125 -4.613 1.00 64.52 H new ATOM 0 HB3 ASP A 21 11.024 3.994 -5.412 1.00 64.52 H new ATOM 287 N ILE A 22 8.081 4.537 -2.846 1.00 74.42 N ATOM 288 CA ILE A 22 6.836 4.996 -2.199 1.00 43.12 C ATOM 289 C ILE A 22 5.963 5.811 -3.194 1.00 4.44 C ATOM 290 O ILE A 22 6.440 6.770 -3.800 1.00 31.22 O ATOM 291 CB ILE A 22 7.165 5.869 -0.930 1.00 25.32 C ATOM 292 CG1 ILE A 22 7.995 5.039 0.107 1.00 43.12 C ATOM 293 CG2 ILE A 22 5.879 6.444 -0.291 1.00 20.44 C ATOM 294 CD1 ILE A 22 8.385 5.790 1.371 1.00 34.24 C ATOM 0 H ILE A 22 8.838 5.218 -2.797 1.00 74.42 H new ATOM 0 HA ILE A 22 6.274 4.116 -1.886 1.00 43.12 H new ATOM 0 HB ILE A 22 7.772 6.716 -1.250 1.00 25.32 H new ATOM 0 HG12 ILE A 22 7.418 4.159 0.390 1.00 43.12 H new ATOM 0 HG13 ILE A 22 8.903 4.682 -0.380 1.00 43.12 H new ATOM 0 HG21 ILE A 22 6.142 7.041 0.582 1.00 20.44 H new ATOM 0 HG22 ILE A 22 5.361 7.071 -1.017 1.00 20.44 H new ATOM 0 HG23 ILE A 22 5.226 5.626 0.013 1.00 20.44 H new ATOM 0 HD11 ILE A 22 8.956 5.131 2.024 1.00 34.24 H new ATOM 0 HD12 ILE A 22 8.993 6.655 1.107 1.00 34.24 H new ATOM 0 HD13 ILE A 22 7.485 6.123 1.888 1.00 34.24 H new ATOM 306 N VAL A 23 4.679 5.434 -3.322 1.00 42.34 N ATOM 307 CA VAL A 23 3.715 6.100 -4.229 1.00 63.31 C ATOM 308 C VAL A 23 2.816 7.060 -3.412 1.00 62.24 C ATOM 309 O VAL A 23 1.904 6.617 -2.722 1.00 21.30 O ATOM 310 CB VAL A 23 2.823 5.028 -4.976 1.00 42.21 C ATOM 311 CG1 VAL A 23 1.796 5.688 -5.934 1.00 3.51 C ATOM 312 CG2 VAL A 23 3.704 3.997 -5.724 1.00 45.04 C ATOM 0 H VAL A 23 4.275 4.657 -2.800 1.00 42.34 H new ATOM 0 HA VAL A 23 4.268 6.668 -4.977 1.00 63.31 H new ATOM 0 HB VAL A 23 2.252 4.498 -4.214 1.00 42.21 H new ATOM 0 HG11 VAL A 23 1.206 4.914 -6.425 1.00 3.51 H new ATOM 0 HG12 VAL A 23 1.135 6.342 -5.365 1.00 3.51 H new ATOM 0 HG13 VAL A 23 2.324 6.273 -6.687 1.00 3.51 H new ATOM 0 HG21 VAL A 23 3.066 3.272 -6.229 1.00 45.04 H new ATOM 0 HG22 VAL A 23 4.321 4.512 -6.460 1.00 45.04 H new ATOM 0 HG23 VAL A 23 4.346 3.481 -5.010 1.00 45.04 H new ATOM 322 N THR A 24 3.097 8.371 -3.463 1.00 1.52 N ATOM 323 CA THR A 24 2.303 9.393 -2.726 1.00 13.31 C ATOM 324 C THR A 24 1.454 10.222 -3.711 1.00 61.53 C ATOM 325 O THR A 24 1.997 10.910 -4.588 1.00 51.12 O ATOM 326 CB THR A 24 3.216 10.359 -1.904 1.00 12.31 C ATOM 327 OG1 THR A 24 4.114 9.600 -1.071 1.00 13.30 O ATOM 328 CG2 THR A 24 2.402 11.314 -1.010 1.00 11.33 C ATOM 0 H THR A 24 3.868 8.759 -4.006 1.00 1.52 H new ATOM 0 HA THR A 24 1.656 8.857 -2.032 1.00 13.31 H new ATOM 0 HB THR A 24 3.774 10.957 -2.625 1.00 12.31 H new ATOM 0 HG1 THR A 24 4.684 10.213 -0.561 1.00 13.30 H new ATOM 0 HG21 THR A 24 3.081 11.965 -0.459 1.00 11.33 H new ATOM 0 HG22 THR A 24 1.743 11.920 -1.631 1.00 11.33 H new ATOM 0 HG23 THR A 24 1.805 10.734 -0.306 1.00 11.33 H new ATOM 336 N VAL A 25 0.125 10.149 -3.564 1.00 3.32 N ATOM 337 CA VAL A 25 -0.835 10.878 -4.428 1.00 43.14 C ATOM 338 C VAL A 25 -1.517 12.044 -3.658 1.00 64.43 C ATOM 339 O VAL A 25 -1.585 12.023 -2.428 1.00 24.30 O ATOM 340 CB VAL A 25 -1.911 9.880 -5.020 1.00 72.10 C ATOM 341 CG1 VAL A 25 -1.253 8.866 -5.993 1.00 53.41 C ATOM 342 CG2 VAL A 25 -2.674 9.134 -3.894 1.00 15.13 C ATOM 0 H VAL A 25 -0.324 9.584 -2.843 1.00 3.32 H new ATOM 0 HA VAL A 25 -0.280 11.317 -5.257 1.00 43.14 H new ATOM 0 HB VAL A 25 -2.634 10.475 -5.578 1.00 72.10 H new ATOM 0 HG11 VAL A 25 -2.014 8.192 -6.386 1.00 53.41 H new ATOM 0 HG12 VAL A 25 -0.785 9.404 -6.817 1.00 53.41 H new ATOM 0 HG13 VAL A 25 -0.497 8.289 -5.461 1.00 53.41 H new ATOM 0 HG21 VAL A 25 -3.405 8.457 -4.336 1.00 15.13 H new ATOM 0 HG22 VAL A 25 -1.967 8.562 -3.293 1.00 15.13 H new ATOM 0 HG23 VAL A 25 -3.187 9.858 -3.261 1.00 15.13 H new ATOM 352 N THR A 26 -2.021 13.063 -4.394 1.00 42.11 N ATOM 353 CA THR A 26 -2.625 14.288 -3.783 1.00 32.44 C ATOM 354 C THR A 26 -4.153 14.365 -4.029 1.00 63.12 C ATOM 355 O THR A 26 -4.661 13.855 -5.032 1.00 64.23 O ATOM 356 CB THR A 26 -1.953 15.602 -4.312 1.00 65.21 C ATOM 357 OG1 THR A 26 -2.151 15.737 -5.731 1.00 42.44 O ATOM 358 CG2 THR A 26 -0.441 15.632 -4.003 1.00 61.13 C ATOM 0 H THR A 26 -2.025 13.068 -5.414 1.00 42.11 H new ATOM 0 HA THR A 26 -2.443 14.206 -2.711 1.00 32.44 H new ATOM 0 HB THR A 26 -2.429 16.436 -3.796 1.00 65.21 H new ATOM 0 HG1 THR A 26 -1.727 16.563 -6.043 1.00 42.44 H new ATOM 0 HG21 THR A 26 -0.010 16.558 -4.385 1.00 61.13 H new ATOM 0 HG22 THR A 26 -0.289 15.578 -2.925 1.00 61.13 H new ATOM 0 HG23 THR A 26 0.045 14.781 -4.481 1.00 61.13 H new ATOM 366 N GLY A 27 -4.868 15.016 -3.088 1.00 1.42 N ATOM 367 CA GLY A 27 -6.336 15.108 -3.112 1.00 35.32 C ATOM 368 C GLY A 27 -6.889 16.023 -2.008 1.00 62.50 C ATOM 369 O GLY A 27 -6.346 17.102 -1.767 1.00 74.35 O ATOM 0 H GLY A 27 -4.441 15.491 -2.293 1.00 1.42 H new ATOM 0 HA2 GLY A 27 -6.657 15.483 -4.084 1.00 35.32 H new ATOM 0 HA3 GLY A 27 -6.761 14.111 -2.999 1.00 35.32 H new ATOM 373 N LYS A 28 -7.985 15.597 -1.339 1.00 34.24 N ATOM 374 CA LYS A 28 -8.680 16.410 -0.291 1.00 51.50 C ATOM 375 C LYS A 28 -8.996 15.539 0.950 1.00 34.43 C ATOM 376 O LYS A 28 -9.223 14.337 0.806 1.00 71.41 O ATOM 377 CB LYS A 28 -10.016 16.982 -0.852 1.00 23.32 C ATOM 378 CG LYS A 28 -9.904 17.809 -2.157 1.00 74.51 C ATOM 379 CD LYS A 28 -9.271 19.208 -1.965 1.00 25.41 C ATOM 380 CE LYS A 28 -10.164 20.161 -1.157 1.00 30.42 C ATOM 381 NZ LYS A 28 -9.609 21.543 -1.112 1.00 33.53 N ATOM 0 H LYS A 28 -8.417 14.688 -1.502 1.00 34.24 H new ATOM 0 HA LYS A 28 -8.018 17.227 -0.005 1.00 51.50 H new ATOM 0 HB2 LYS A 28 -10.698 16.151 -1.029 1.00 23.32 H new ATOM 0 HB3 LYS A 28 -10.470 17.609 -0.085 1.00 23.32 H new ATOM 0 HG2 LYS A 28 -9.310 17.249 -2.880 1.00 74.51 H new ATOM 0 HG3 LYS A 28 -10.899 17.928 -2.586 1.00 74.51 H new ATOM 0 HD2 LYS A 28 -8.311 19.101 -1.459 1.00 25.41 H new ATOM 0 HD3 LYS A 28 -9.069 19.647 -2.942 1.00 25.41 H new ATOM 0 HE2 LYS A 28 -11.161 20.185 -1.598 1.00 30.42 H new ATOM 0 HE3 LYS A 28 -10.274 19.781 -0.141 1.00 30.42 H new ATOM 0 HZ1 LYS A 28 -10.242 22.154 -0.557 1.00 33.53 H new ATOM 0 HZ2 LYS A 28 -8.669 21.525 -0.668 1.00 33.53 H new ATOM 0 HZ3 LYS A 28 -9.528 21.916 -2.079 1.00 33.53 H new ATOM 395 N THR A 29 -9.014 16.161 2.153 1.00 21.12 N ATOM 396 CA THR A 29 -9.459 15.502 3.428 1.00 52.21 C ATOM 397 C THR A 29 -10.810 14.748 3.289 1.00 14.51 C ATOM 398 O THR A 29 -10.950 13.608 3.751 1.00 23.41 O ATOM 399 CB THR A 29 -9.608 16.539 4.597 1.00 52.23 C ATOM 400 OG1 THR A 29 -10.450 17.635 4.188 1.00 73.42 O ATOM 401 CG2 THR A 29 -8.254 17.085 5.069 1.00 73.22 C ATOM 0 H THR A 29 -8.724 17.131 2.279 1.00 21.12 H new ATOM 0 HA THR A 29 -8.674 14.781 3.655 1.00 52.21 H new ATOM 0 HB THR A 29 -10.064 16.010 5.434 1.00 52.23 H new ATOM 0 HG1 THR A 29 -10.537 18.274 4.926 1.00 73.42 H new ATOM 0 HG21 THR A 29 -8.411 17.798 5.878 1.00 73.22 H new ATOM 0 HG22 THR A 29 -7.634 16.262 5.426 1.00 73.22 H new ATOM 0 HG23 THR A 29 -7.753 17.583 4.239 1.00 73.22 H new ATOM 409 N ASP A 30 -11.801 15.410 2.661 1.00 31.01 N ATOM 410 CA ASP A 30 -13.174 14.871 2.505 1.00 10.33 C ATOM 411 C ASP A 30 -13.251 13.778 1.403 1.00 12.03 C ATOM 412 O ASP A 30 -14.134 12.916 1.440 1.00 43.22 O ATOM 413 CB ASP A 30 -14.156 16.031 2.195 1.00 73.33 C ATOM 414 CG ASP A 30 -15.638 15.634 2.335 1.00 3.23 C ATOM 415 OD1 ASP A 30 -16.150 15.630 3.473 1.00 15.13 O ATOM 416 OD2 ASP A 30 -16.297 15.327 1.317 1.00 14.53 O ATOM 0 H ASP A 30 -11.676 16.334 2.246 1.00 31.01 H new ATOM 0 HA ASP A 30 -13.458 14.395 3.443 1.00 10.33 H new ATOM 0 HB2 ASP A 30 -13.946 16.864 2.866 1.00 73.33 H new ATOM 0 HB3 ASP A 30 -13.977 16.387 1.180 1.00 73.33 H new ATOM 421 N ASP A 31 -12.326 13.831 0.430 1.00 43.01 N ATOM 422 CA ASP A 31 -12.284 12.881 -0.711 1.00 75.31 C ATOM 423 C ASP A 31 -11.422 11.631 -0.403 1.00 30.21 C ATOM 424 O ASP A 31 -10.475 11.677 0.390 1.00 1.52 O ATOM 425 CB ASP A 31 -11.762 13.600 -1.980 1.00 42.25 C ATOM 426 CG ASP A 31 -12.751 14.640 -2.519 1.00 44.23 C ATOM 427 OD1 ASP A 31 -12.903 15.708 -1.893 1.00 34.30 O ATOM 428 OD2 ASP A 31 -13.397 14.390 -3.560 1.00 44.52 O ATOM 0 H ASP A 31 -11.584 14.530 0.406 1.00 43.01 H new ATOM 0 HA ASP A 31 -13.302 12.532 -0.885 1.00 75.31 H new ATOM 0 HB2 ASP A 31 -10.815 14.089 -1.752 1.00 42.25 H new ATOM 0 HB3 ASP A 31 -11.560 12.860 -2.755 1.00 42.25 H new ATOM 433 N SER A 32 -11.773 10.520 -1.068 1.00 40.15 N ATOM 434 CA SER A 32 -11.097 9.210 -0.920 1.00 3.42 C ATOM 435 C SER A 32 -10.923 8.538 -2.301 1.00 53.14 C ATOM 436 O SER A 32 -11.528 8.966 -3.294 1.00 61.12 O ATOM 437 CB SER A 32 -11.916 8.299 0.032 1.00 31.40 C ATOM 438 OG SER A 32 -11.318 7.017 0.200 1.00 24.25 O ATOM 0 H SER A 32 -12.545 10.500 -1.735 1.00 40.15 H new ATOM 0 HA SER A 32 -10.108 9.366 -0.489 1.00 3.42 H new ATOM 0 HB2 SER A 32 -12.010 8.784 1.004 1.00 31.40 H new ATOM 0 HB3 SER A 32 -12.925 8.178 -0.363 1.00 31.40 H new ATOM 0 HG SER A 32 -11.866 6.478 0.808 1.00 24.25 H new ATOM 444 N THR A 33 -10.104 7.480 -2.345 1.00 41.30 N ATOM 445 CA THR A 33 -9.785 6.742 -3.595 1.00 72.20 C ATOM 446 C THR A 33 -9.512 5.249 -3.309 1.00 4.41 C ATOM 447 O THR A 33 -9.253 4.866 -2.171 1.00 62.25 O ATOM 448 CB THR A 33 -8.557 7.378 -4.342 1.00 34.41 C ATOM 449 OG1 THR A 33 -8.323 6.705 -5.598 1.00 61.32 O ATOM 450 CG2 THR A 33 -7.263 7.344 -3.490 1.00 71.40 C ATOM 0 H THR A 33 -9.638 7.103 -1.519 1.00 41.30 H new ATOM 0 HA THR A 33 -10.659 6.819 -4.242 1.00 72.20 H new ATOM 0 HB THR A 33 -8.810 8.423 -4.524 1.00 34.41 H new ATOM 0 HG1 THR A 33 -7.556 7.115 -6.051 1.00 61.32 H new ATOM 0 HG21 THR A 33 -6.445 7.795 -4.052 1.00 71.40 H new ATOM 0 HG22 THR A 33 -7.420 7.902 -2.567 1.00 71.40 H new ATOM 0 HG23 THR A 33 -7.012 6.311 -3.251 1.00 71.40 H new ATOM 458 N THR A 34 -9.599 4.404 -4.353 1.00 55.00 N ATOM 459 CA THR A 34 -9.230 2.968 -4.267 1.00 44.31 C ATOM 460 C THR A 34 -7.963 2.698 -5.112 1.00 63.30 C ATOM 461 O THR A 34 -7.968 2.871 -6.337 1.00 51.15 O ATOM 462 CB THR A 34 -10.393 2.020 -4.736 1.00 31.11 C ATOM 463 OG1 THR A 34 -10.783 2.330 -6.088 1.00 11.02 O ATOM 464 CG2 THR A 34 -11.626 2.125 -3.809 1.00 50.10 C ATOM 0 H THR A 34 -9.924 4.689 -5.277 1.00 55.00 H new ATOM 0 HA THR A 34 -9.033 2.748 -3.218 1.00 44.31 H new ATOM 0 HB THR A 34 -10.015 0.999 -4.689 1.00 31.11 H new ATOM 0 HG1 THR A 34 -9.987 2.544 -6.617 1.00 11.02 H new ATOM 0 HG21 THR A 34 -12.408 1.455 -4.166 1.00 50.10 H new ATOM 0 HG22 THR A 34 -11.343 1.844 -2.794 1.00 50.10 H new ATOM 0 HG23 THR A 34 -11.997 3.150 -3.812 1.00 50.10 H new ATOM 472 N TYR A 35 -6.879 2.297 -4.438 1.00 2.30 N ATOM 473 CA TYR A 35 -5.580 1.978 -5.064 1.00 2.41 C ATOM 474 C TYR A 35 -5.431 0.448 -5.229 1.00 74.20 C ATOM 475 O TYR A 35 -5.491 -0.285 -4.243 1.00 34.32 O ATOM 476 CB TYR A 35 -4.432 2.547 -4.181 1.00 3.42 C ATOM 477 CG TYR A 35 -3.012 2.137 -4.625 1.00 34.15 C ATOM 478 CD1 TYR A 35 -2.363 2.793 -5.679 1.00 21.41 C ATOM 479 CD2 TYR A 35 -2.329 1.086 -3.990 1.00 10.11 C ATOM 480 CE1 TYR A 35 -1.097 2.418 -6.085 1.00 2.51 C ATOM 481 CE2 TYR A 35 -1.065 0.712 -4.399 1.00 12.15 C ATOM 482 CZ TYR A 35 -0.451 1.384 -5.444 1.00 72.44 C ATOM 483 OH TYR A 35 0.816 1.013 -5.852 1.00 0.32 O ATOM 0 H TYR A 35 -6.874 2.181 -3.425 1.00 2.30 H new ATOM 0 HA TYR A 35 -5.529 2.434 -6.053 1.00 2.41 H new ATOM 0 HB2 TYR A 35 -4.498 3.635 -4.181 1.00 3.42 H new ATOM 0 HB3 TYR A 35 -4.586 2.218 -3.153 1.00 3.42 H new ATOM 0 HD1 TYR A 35 -2.862 3.607 -6.184 1.00 21.41 H new ATOM 0 HD2 TYR A 35 -2.800 0.563 -3.170 1.00 10.11 H new ATOM 0 HE1 TYR A 35 -0.615 2.934 -6.902 1.00 2.51 H new ATOM 0 HE2 TYR A 35 -0.556 -0.103 -3.906 1.00 12.15 H new ATOM 0 HH TYR A 35 1.285 1.794 -6.213 1.00 0.32 H new ATOM 493 N THR A 36 -5.204 -0.026 -6.469 1.00 4.31 N ATOM 494 CA THR A 36 -4.987 -1.469 -6.739 1.00 35.23 C ATOM 495 C THR A 36 -3.583 -1.917 -6.251 1.00 23.12 C ATOM 496 O THR A 36 -2.561 -1.306 -6.598 1.00 62.52 O ATOM 497 CB THR A 36 -5.189 -1.829 -8.256 1.00 3.44 C ATOM 498 OG1 THR A 36 -4.917 -3.226 -8.482 1.00 53.04 O ATOM 499 CG2 THR A 36 -4.324 -0.968 -9.201 1.00 2.01 C ATOM 0 H THR A 36 -5.165 0.564 -7.300 1.00 4.31 H new ATOM 0 HA THR A 36 -5.744 -2.015 -6.176 1.00 35.23 H new ATOM 0 HB THR A 36 -6.232 -1.612 -8.489 1.00 3.44 H new ATOM 0 HG1 THR A 36 -5.200 -3.745 -7.700 1.00 53.04 H new ATOM 0 HG21 THR A 36 -4.508 -1.264 -10.234 1.00 2.01 H new ATOM 0 HG22 THR A 36 -4.582 0.083 -9.074 1.00 2.01 H new ATOM 0 HG23 THR A 36 -3.270 -1.114 -8.964 1.00 2.01 H new ATOM 507 N VAL A 37 -3.549 -2.980 -5.424 1.00 12.12 N ATOM 508 CA VAL A 37 -2.302 -3.517 -4.842 1.00 62.05 C ATOM 509 C VAL A 37 -1.523 -4.310 -5.917 1.00 23.44 C ATOM 510 O VAL A 37 -2.073 -5.209 -6.553 1.00 75.22 O ATOM 511 CB VAL A 37 -2.593 -4.438 -3.591 1.00 52.41 C ATOM 512 CG1 VAL A 37 -1.284 -5.000 -2.974 1.00 43.12 C ATOM 513 CG2 VAL A 37 -3.430 -3.684 -2.525 1.00 44.53 C ATOM 0 H VAL A 37 -4.385 -3.491 -5.140 1.00 12.12 H new ATOM 0 HA VAL A 37 -1.699 -2.676 -4.500 1.00 62.05 H new ATOM 0 HB VAL A 37 -3.179 -5.287 -3.943 1.00 52.41 H new ATOM 0 HG11 VAL A 37 -1.526 -5.628 -2.117 1.00 43.12 H new ATOM 0 HG12 VAL A 37 -0.755 -5.593 -3.720 1.00 43.12 H new ATOM 0 HG13 VAL A 37 -0.650 -4.174 -2.651 1.00 43.12 H new ATOM 0 HG21 VAL A 37 -3.615 -4.342 -1.676 1.00 44.53 H new ATOM 0 HG22 VAL A 37 -2.883 -2.803 -2.189 1.00 44.53 H new ATOM 0 HG23 VAL A 37 -4.381 -3.377 -2.960 1.00 44.53 H new ATOM 523 N THR A 38 -0.238 -3.965 -6.092 1.00 34.11 N ATOM 524 CA THR A 38 0.623 -4.491 -7.175 1.00 33.12 C ATOM 525 C THR A 38 1.709 -5.422 -6.590 1.00 22.24 C ATOM 526 O THR A 38 2.649 -4.958 -5.937 1.00 3.00 O ATOM 527 CB THR A 38 1.289 -3.313 -7.972 1.00 32.11 C ATOM 528 OG1 THR A 38 0.267 -2.413 -8.439 1.00 12.23 O ATOM 529 CG2 THR A 38 2.115 -3.813 -9.179 1.00 23.15 C ATOM 0 H THR A 38 0.243 -3.305 -5.481 1.00 34.11 H new ATOM 0 HA THR A 38 0.001 -5.065 -7.862 1.00 33.12 H new ATOM 0 HB THR A 38 1.971 -2.803 -7.292 1.00 32.11 H new ATOM 0 HG1 THR A 38 0.681 -1.676 -8.935 1.00 12.23 H new ATOM 0 HG21 THR A 38 2.555 -2.961 -9.697 1.00 23.15 H new ATOM 0 HG22 THR A 38 2.908 -4.473 -8.829 1.00 23.15 H new ATOM 0 HG23 THR A 38 1.465 -4.358 -9.864 1.00 23.15 H new ATOM 537 N ILE A 39 1.560 -6.738 -6.821 1.00 53.44 N ATOM 538 CA ILE A 39 2.476 -7.774 -6.286 1.00 73.12 C ATOM 539 C ILE A 39 3.635 -8.053 -7.296 1.00 14.22 C ATOM 540 O ILE A 39 3.380 -8.578 -8.387 1.00 31.13 O ATOM 541 CB ILE A 39 1.692 -9.111 -5.966 1.00 10.11 C ATOM 542 CG1 ILE A 39 0.415 -8.819 -5.099 1.00 4.11 C ATOM 543 CG2 ILE A 39 2.607 -10.153 -5.267 1.00 74.01 C ATOM 544 CD1 ILE A 39 0.670 -8.119 -3.768 1.00 45.42 C ATOM 0 H ILE A 39 0.800 -7.119 -7.385 1.00 53.44 H new ATOM 0 HA ILE A 39 2.905 -7.399 -5.357 1.00 73.12 H new ATOM 0 HB ILE A 39 1.369 -9.538 -6.916 1.00 10.11 H new ATOM 0 HG12 ILE A 39 -0.269 -8.206 -5.686 1.00 4.11 H new ATOM 0 HG13 ILE A 39 -0.092 -9.763 -4.901 1.00 4.11 H new ATOM 0 HG21 ILE A 39 2.036 -11.059 -5.062 1.00 74.01 H new ATOM 0 HG22 ILE A 39 3.448 -10.393 -5.918 1.00 74.01 H new ATOM 0 HG23 ILE A 39 2.980 -9.739 -4.330 1.00 74.01 H new ATOM 0 HD11 ILE A 39 -0.277 -7.966 -3.250 1.00 45.42 H new ATOM 0 HD12 ILE A 39 1.325 -8.736 -3.152 1.00 45.42 H new ATOM 0 HD13 ILE A 39 1.145 -7.155 -3.949 1.00 45.42 H new ATOM 556 N PRO A 40 4.920 -7.677 -6.967 1.00 15.12 N ATOM 557 CA PRO A 40 6.095 -7.919 -7.854 1.00 41.34 C ATOM 558 C PRO A 40 6.542 -9.407 -7.898 1.00 3.34 C ATOM 559 O PRO A 40 6.188 -10.205 -7.018 1.00 21.00 O ATOM 560 CB PRO A 40 7.211 -7.003 -7.242 1.00 31.23 C ATOM 561 CG PRO A 40 6.508 -6.150 -6.214 1.00 3.31 C ATOM 562 CD PRO A 40 5.338 -6.978 -5.734 1.00 11.14 C ATOM 0 HA PRO A 40 5.865 -7.689 -8.894 1.00 41.34 H new ATOM 0 HB2 PRO A 40 8.001 -7.598 -6.785 1.00 31.23 H new ATOM 0 HB3 PRO A 40 7.679 -6.387 -8.010 1.00 31.23 H new ATOM 0 HG2 PRO A 40 7.175 -5.899 -5.390 1.00 3.31 H new ATOM 0 HG3 PRO A 40 6.171 -5.209 -6.649 1.00 3.31 H new ATOM 0 HD2 PRO A 40 5.629 -7.676 -4.949 1.00 11.14 H new ATOM 0 HD3 PRO A 40 4.540 -6.357 -5.328 1.00 11.14 H new ATOM 570 N ASP A 41 7.337 -9.753 -8.932 1.00 74.13 N ATOM 571 CA ASP A 41 7.862 -11.124 -9.137 1.00 52.11 C ATOM 572 C ASP A 41 8.834 -11.538 -7.998 1.00 4.41 C ATOM 573 O ASP A 41 9.778 -10.803 -7.679 1.00 3.43 O ATOM 574 CB ASP A 41 8.569 -11.223 -10.514 1.00 53.32 C ATOM 575 CG ASP A 41 9.101 -12.637 -10.821 1.00 25.54 C ATOM 576 OD1 ASP A 41 8.301 -13.509 -11.210 1.00 52.12 O ATOM 577 OD2 ASP A 41 10.316 -12.883 -10.663 1.00 21.00 O ATOM 0 H ASP A 41 7.634 -9.092 -9.649 1.00 74.13 H new ATOM 0 HA ASP A 41 7.018 -11.814 -9.118 1.00 52.11 H new ATOM 0 HB2 ASP A 41 7.870 -10.926 -11.296 1.00 53.32 H new ATOM 0 HB3 ASP A 41 9.398 -10.516 -10.542 1.00 53.32 H new ATOM 582 N GLY A 42 8.580 -12.722 -7.401 1.00 24.33 N ATOM 583 CA GLY A 42 9.389 -13.246 -6.284 1.00 2.43 C ATOM 584 C GLY A 42 8.944 -12.736 -4.905 1.00 23.14 C ATOM 585 O GLY A 42 9.625 -12.979 -3.903 1.00 5.04 O ATOM 0 H GLY A 42 7.814 -13.336 -7.678 1.00 24.33 H new ATOM 0 HA2 GLY A 42 9.340 -14.335 -6.292 1.00 2.43 H new ATOM 0 HA3 GLY A 42 10.432 -12.972 -6.443 1.00 2.43 H new ATOM 589 N TYR A 43 7.812 -12.001 -4.862 1.00 51.10 N ATOM 590 CA TYR A 43 7.215 -11.482 -3.610 1.00 52.32 C ATOM 591 C TYR A 43 5.784 -12.041 -3.422 1.00 60.34 C ATOM 592 O TYR A 43 5.024 -12.181 -4.386 1.00 74.30 O ATOM 593 CB TYR A 43 7.196 -9.929 -3.605 1.00 40.02 C ATOM 594 CG TYR A 43 8.592 -9.289 -3.718 1.00 40.33 C ATOM 595 CD1 TYR A 43 9.199 -9.093 -4.963 1.00 72.44 C ATOM 596 CD2 TYR A 43 9.308 -8.897 -2.584 1.00 71.21 C ATOM 597 CE1 TYR A 43 10.455 -8.539 -5.070 1.00 72.33 C ATOM 598 CE2 TYR A 43 10.568 -8.345 -2.690 1.00 72.21 C ATOM 599 CZ TYR A 43 11.136 -8.165 -3.933 1.00 21.43 C ATOM 600 OH TYR A 43 12.397 -7.621 -4.041 1.00 72.43 O ATOM 0 H TYR A 43 7.284 -11.749 -5.697 1.00 51.10 H new ATOM 0 HA TYR A 43 7.833 -11.816 -2.776 1.00 52.32 H new ATOM 0 HB2 TYR A 43 6.579 -9.580 -4.433 1.00 40.02 H new ATOM 0 HB3 TYR A 43 6.722 -9.584 -2.686 1.00 40.02 H new ATOM 0 HD1 TYR A 43 8.671 -9.382 -5.860 1.00 72.44 H new ATOM 0 HD2 TYR A 43 8.867 -9.028 -1.607 1.00 71.21 H new ATOM 0 HE1 TYR A 43 10.904 -8.398 -6.042 1.00 72.33 H new ATOM 0 HE2 TYR A 43 11.108 -8.055 -1.801 1.00 72.21 H new ATOM 0 HH TYR A 43 12.740 -7.410 -3.148 1.00 72.43 H new ATOM 610 N GLU A 44 5.439 -12.357 -2.162 1.00 43.41 N ATOM 611 CA GLU A 44 4.170 -13.024 -1.787 1.00 34.11 C ATOM 612 C GLU A 44 3.377 -12.123 -0.807 1.00 61.22 C ATOM 613 O GLU A 44 3.894 -11.775 0.248 1.00 50.03 O ATOM 614 CB GLU A 44 4.483 -14.395 -1.115 1.00 12.32 C ATOM 615 CG GLU A 44 5.472 -15.309 -1.885 1.00 13.45 C ATOM 616 CD GLU A 44 5.791 -16.617 -1.136 1.00 50.41 C ATOM 617 OE1 GLU A 44 6.231 -16.549 0.036 1.00 12.35 O ATOM 618 OE2 GLU A 44 5.583 -17.722 -1.700 1.00 72.12 O ATOM 0 H GLU A 44 6.038 -12.156 -1.361 1.00 43.41 H new ATOM 0 HA GLU A 44 3.569 -13.192 -2.681 1.00 34.11 H new ATOM 0 HB2 GLU A 44 4.888 -14.208 -0.121 1.00 12.32 H new ATOM 0 HB3 GLU A 44 3.546 -14.936 -0.981 1.00 12.32 H new ATOM 0 HG2 GLU A 44 5.051 -15.549 -2.861 1.00 13.45 H new ATOM 0 HG3 GLU A 44 6.399 -14.763 -2.063 1.00 13.45 H new ATOM 625 N TYR A 45 2.125 -11.765 -1.146 1.00 2.11 N ATOM 626 CA TYR A 45 1.294 -10.850 -0.317 1.00 14.40 C ATOM 627 C TYR A 45 1.067 -11.382 1.134 1.00 62.02 C ATOM 628 O TYR A 45 0.681 -12.536 1.332 1.00 62.33 O ATOM 629 CB TYR A 45 -0.065 -10.573 -1.018 1.00 73.51 C ATOM 630 CG TYR A 45 -1.009 -9.652 -0.225 1.00 1.23 C ATOM 631 CD1 TYR A 45 -0.700 -8.300 -0.016 1.00 32.42 C ATOM 632 CD2 TYR A 45 -2.192 -10.143 0.344 1.00 75.42 C ATOM 633 CE1 TYR A 45 -1.536 -7.482 0.718 1.00 64.54 C ATOM 634 CE2 TYR A 45 -3.020 -9.329 1.080 1.00 33.44 C ATOM 635 CZ TYR A 45 -2.689 -8.005 1.264 1.00 63.30 C ATOM 636 OH TYR A 45 -3.513 -7.202 2.012 1.00 63.32 O ATOM 0 H TYR A 45 1.658 -12.093 -1.991 1.00 2.11 H new ATOM 0 HA TYR A 45 1.848 -9.916 -0.222 1.00 14.40 H new ATOM 0 HB2 TYR A 45 0.127 -10.125 -1.993 1.00 73.51 H new ATOM 0 HB3 TYR A 45 -0.569 -11.523 -1.197 1.00 73.51 H new ATOM 0 HD1 TYR A 45 0.207 -7.892 -0.436 1.00 32.42 H new ATOM 0 HD2 TYR A 45 -2.458 -11.180 0.202 1.00 75.42 H new ATOM 0 HE1 TYR A 45 -1.289 -6.441 0.863 1.00 64.54 H new ATOM 0 HE2 TYR A 45 -3.927 -9.726 1.512 1.00 33.44 H new ATOM 0 HH TYR A 45 -3.965 -7.742 2.693 1.00 63.32 H new ATOM 646 N VAL A 46 1.339 -10.515 2.132 1.00 75.44 N ATOM 647 CA VAL A 46 1.101 -10.800 3.568 1.00 71.11 C ATOM 648 C VAL A 46 -0.200 -10.115 4.038 1.00 64.43 C ATOM 649 O VAL A 46 -1.185 -10.778 4.375 1.00 3.52 O ATOM 650 CB VAL A 46 2.305 -10.297 4.464 1.00 12.42 C ATOM 651 CG1 VAL A 46 2.047 -10.517 5.980 1.00 15.34 C ATOM 652 CG2 VAL A 46 3.631 -10.947 4.028 1.00 74.22 C ATOM 0 H VAL A 46 1.733 -9.589 1.965 1.00 75.44 H new ATOM 0 HA VAL A 46 1.012 -11.881 3.679 1.00 71.11 H new ATOM 0 HB VAL A 46 2.385 -9.221 4.309 1.00 12.42 H new ATOM 0 HG11 VAL A 46 2.902 -10.155 6.551 1.00 15.34 H new ATOM 0 HG12 VAL A 46 1.153 -9.970 6.280 1.00 15.34 H new ATOM 0 HG13 VAL A 46 1.904 -11.580 6.174 1.00 15.34 H new ATOM 0 HG21 VAL A 46 4.440 -10.583 4.661 1.00 74.22 H new ATOM 0 HG22 VAL A 46 3.554 -12.030 4.124 1.00 74.22 H new ATOM 0 HG23 VAL A 46 3.839 -10.689 2.990 1.00 74.22 H new ATOM 662 N GLY A 47 -0.182 -8.772 4.030 1.00 22.31 N ATOM 663 CA GLY A 47 -1.265 -7.971 4.601 1.00 4.53 C ATOM 664 C GLY A 47 -1.084 -6.473 4.361 1.00 32.25 C ATOM 665 O GLY A 47 -0.007 -6.018 3.953 1.00 23.44 O ATOM 0 H GLY A 47 0.577 -8.220 3.631 1.00 22.31 H new ATOM 0 HA2 GLY A 47 -2.214 -8.291 4.170 1.00 4.53 H new ATOM 0 HA3 GLY A 47 -1.323 -8.158 5.673 1.00 4.53 H new ATOM 669 N THR A 48 -2.152 -5.715 4.627 1.00 22.23 N ATOM 670 CA THR A 48 -2.199 -4.249 4.449 1.00 41.23 C ATOM 671 C THR A 48 -2.472 -3.564 5.805 1.00 75.53 C ATOM 672 O THR A 48 -3.345 -3.997 6.563 1.00 52.15 O ATOM 673 CB THR A 48 -3.313 -3.861 3.411 1.00 2.13 C ATOM 674 OG1 THR A 48 -2.948 -4.324 2.098 1.00 32.12 O ATOM 675 CG2 THR A 48 -3.588 -2.352 3.343 1.00 65.05 C ATOM 0 H THR A 48 -3.027 -6.104 4.979 1.00 22.23 H new ATOM 0 HA THR A 48 -1.236 -3.909 4.068 1.00 41.23 H new ATOM 0 HB THR A 48 -4.227 -4.344 3.756 1.00 2.13 H new ATOM 0 HG1 THR A 48 -3.136 -5.283 2.025 1.00 32.12 H new ATOM 0 HG21 THR A 48 -4.367 -2.157 2.606 1.00 65.05 H new ATOM 0 HG22 THR A 48 -3.915 -1.997 4.320 1.00 65.05 H new ATOM 0 HG23 THR A 48 -2.677 -1.829 3.054 1.00 65.05 H new ATOM 683 N ASP A 49 -1.722 -2.490 6.094 1.00 33.34 N ATOM 684 CA ASP A 49 -1.906 -1.658 7.305 1.00 14.02 C ATOM 685 C ASP A 49 -2.357 -0.238 6.917 1.00 63.21 C ATOM 686 O ASP A 49 -2.026 0.249 5.837 1.00 63.13 O ATOM 687 CB ASP A 49 -0.593 -1.604 8.124 1.00 24.14 C ATOM 688 CG ASP A 49 -0.289 -2.930 8.841 1.00 54.32 C ATOM 689 OD1 ASP A 49 0.281 -3.845 8.217 1.00 54.15 O ATOM 690 OD2 ASP A 49 -0.639 -3.071 10.035 1.00 61.12 O ATOM 0 H ASP A 49 -0.964 -2.167 5.493 1.00 33.34 H new ATOM 0 HA ASP A 49 -2.682 -2.110 7.923 1.00 14.02 H new ATOM 0 HB2 ASP A 49 0.235 -1.356 7.460 1.00 24.14 H new ATOM 0 HB3 ASP A 49 -0.661 -0.804 8.861 1.00 24.14 H new ATOM 695 N GLY A 50 -3.119 0.410 7.811 1.00 45.34 N ATOM 696 CA GLY A 50 -3.601 1.778 7.598 1.00 65.01 C ATOM 697 C GLY A 50 -5.001 1.841 6.979 1.00 1.41 C ATOM 698 O GLY A 50 -5.964 2.244 7.642 1.00 72.14 O ATOM 0 H GLY A 50 -3.416 0.001 8.697 1.00 45.34 H new ATOM 0 HA2 GLY A 50 -3.610 2.305 8.552 1.00 65.01 H new ATOM 0 HA3 GLY A 50 -2.901 2.305 6.949 1.00 65.01 H new ATOM 702 N GLY A 51 -5.107 1.448 5.700 1.00 11.24 N ATOM 703 CA GLY A 51 -6.379 1.498 4.952 1.00 4.22 C ATOM 704 C GLY A 51 -7.205 0.214 5.049 1.00 22.54 C ATOM 705 O GLY A 51 -6.847 -0.714 5.783 1.00 65.11 O ATOM 0 H GLY A 51 -4.322 1.089 5.156 1.00 11.24 H new ATOM 0 HA2 GLY A 51 -6.975 2.331 5.324 1.00 4.22 H new ATOM 0 HA3 GLY A 51 -6.165 1.702 3.903 1.00 4.22 H new ATOM 709 N VAL A 52 -8.309 0.161 4.281 1.00 64.42 N ATOM 710 CA VAL A 52 -9.222 -1.010 4.250 1.00 75.13 C ATOM 711 C VAL A 52 -8.955 -1.840 2.973 1.00 21.25 C ATOM 712 O VAL A 52 -9.221 -1.374 1.863 1.00 32.13 O ATOM 713 CB VAL A 52 -10.735 -0.564 4.309 1.00 71.44 C ATOM 714 CG1 VAL A 52 -11.700 -1.778 4.228 1.00 2.34 C ATOM 715 CG2 VAL A 52 -11.010 0.273 5.582 1.00 61.14 C ATOM 0 H VAL A 52 -8.597 0.922 3.665 1.00 64.42 H new ATOM 0 HA VAL A 52 -9.026 -1.622 5.130 1.00 75.13 H new ATOM 0 HB VAL A 52 -10.925 0.060 3.436 1.00 71.44 H new ATOM 0 HG11 VAL A 52 -12.731 -1.427 4.272 1.00 2.34 H new ATOM 0 HG12 VAL A 52 -11.538 -2.310 3.291 1.00 2.34 H new ATOM 0 HG13 VAL A 52 -11.510 -2.450 5.065 1.00 2.34 H new ATOM 0 HG21 VAL A 52 -12.059 0.570 5.603 1.00 61.14 H new ATOM 0 HG22 VAL A 52 -10.784 -0.324 6.466 1.00 61.14 H new ATOM 0 HG23 VAL A 52 -10.381 1.163 5.575 1.00 61.14 H new ATOM 725 N VAL A 53 -8.421 -3.061 3.140 1.00 15.13 N ATOM 726 CA VAL A 53 -8.026 -3.932 2.009 1.00 21.54 C ATOM 727 C VAL A 53 -9.234 -4.751 1.467 1.00 62.03 C ATOM 728 O VAL A 53 -10.217 -4.996 2.177 1.00 35.24 O ATOM 729 CB VAL A 53 -6.839 -4.894 2.422 1.00 41.13 C ATOM 730 CG1 VAL A 53 -7.272 -5.949 3.467 1.00 20.33 C ATOM 731 CG2 VAL A 53 -6.183 -5.560 1.185 1.00 24.22 C ATOM 0 H VAL A 53 -8.250 -3.475 4.056 1.00 15.13 H new ATOM 0 HA VAL A 53 -7.678 -3.283 1.205 1.00 21.54 H new ATOM 0 HB VAL A 53 -6.085 -4.268 2.898 1.00 41.13 H new ATOM 0 HG11 VAL A 53 -6.422 -6.584 3.717 1.00 20.33 H new ATOM 0 HG12 VAL A 53 -7.626 -5.446 4.367 1.00 20.33 H new ATOM 0 HG13 VAL A 53 -8.074 -6.562 3.055 1.00 20.33 H new ATOM 0 HG21 VAL A 53 -5.373 -6.213 1.510 1.00 24.22 H new ATOM 0 HG22 VAL A 53 -6.929 -6.147 0.649 1.00 24.22 H new ATOM 0 HG23 VAL A 53 -5.785 -4.789 0.525 1.00 24.22 H new ATOM 741 N SER A 54 -9.137 -5.135 0.185 1.00 54.24 N ATOM 742 CA SER A 54 -10.085 -6.045 -0.501 1.00 22.22 C ATOM 743 C SER A 54 -10.094 -7.459 0.126 1.00 63.32 C ATOM 744 O SER A 54 -9.135 -7.859 0.787 1.00 1.44 O ATOM 745 CB SER A 54 -9.680 -6.145 -1.993 1.00 54.04 C ATOM 746 OG SER A 54 -10.413 -7.129 -2.703 1.00 43.21 O ATOM 0 H SER A 54 -8.382 -4.818 -0.423 1.00 54.24 H new ATOM 0 HA SER A 54 -11.090 -5.636 -0.394 1.00 22.22 H new ATOM 0 HB2 SER A 54 -9.828 -5.176 -2.469 1.00 54.04 H new ATOM 0 HB3 SER A 54 -8.616 -6.374 -2.060 1.00 54.04 H new ATOM 0 HG SER A 54 -11.024 -6.691 -3.332 1.00 43.21 H new ATOM 752 N SER A 55 -11.178 -8.218 -0.129 1.00 32.22 N ATOM 753 CA SER A 55 -11.313 -9.629 0.320 1.00 3.41 C ATOM 754 C SER A 55 -10.309 -10.549 -0.413 1.00 74.43 C ATOM 755 O SER A 55 -9.801 -11.521 0.154 1.00 61.30 O ATOM 756 CB SER A 55 -12.762 -10.119 0.087 1.00 72.32 C ATOM 757 OG SER A 55 -13.705 -9.300 0.767 1.00 71.45 O ATOM 0 H SER A 55 -11.986 -7.877 -0.650 1.00 32.22 H new ATOM 0 HA SER A 55 -11.087 -9.672 1.385 1.00 3.41 H new ATOM 0 HB2 SER A 55 -12.980 -10.117 -0.981 1.00 72.32 H new ATOM 0 HB3 SER A 55 -12.859 -11.149 0.431 1.00 72.32 H new ATOM 0 HG SER A 55 -14.611 -9.635 0.598 1.00 71.45 H new ATOM 763 N ASP A 56 -10.035 -10.215 -1.687 1.00 60.31 N ATOM 764 CA ASP A 56 -9.016 -10.905 -2.519 1.00 54.43 C ATOM 765 C ASP A 56 -7.607 -10.283 -2.337 1.00 71.13 C ATOM 766 O ASP A 56 -6.606 -10.870 -2.758 1.00 73.45 O ATOM 767 CB ASP A 56 -9.427 -10.828 -4.010 1.00 73.43 C ATOM 768 CG ASP A 56 -10.791 -11.477 -4.271 1.00 54.45 C ATOM 769 OD1 ASP A 56 -10.854 -12.712 -4.412 1.00 62.43 O ATOM 770 OD2 ASP A 56 -11.801 -10.753 -4.333 1.00 50.41 O ATOM 0 H ASP A 56 -10.512 -9.457 -2.176 1.00 60.31 H new ATOM 0 HA ASP A 56 -8.967 -11.945 -2.195 1.00 54.43 H new ATOM 0 HB2 ASP A 56 -9.458 -9.784 -4.323 1.00 73.43 H new ATOM 0 HB3 ASP A 56 -8.670 -11.321 -4.619 1.00 73.43 H new ATOM 775 N GLY A 57 -7.551 -9.085 -1.708 1.00 44.33 N ATOM 776 CA GLY A 57 -6.308 -8.301 -1.600 1.00 62.13 C ATOM 777 C GLY A 57 -5.886 -7.650 -2.925 1.00 64.20 C ATOM 778 O GLY A 57 -4.708 -7.334 -3.124 1.00 24.22 O ATOM 0 H GLY A 57 -8.358 -8.643 -1.268 1.00 44.33 H new ATOM 0 HA2 GLY A 57 -6.440 -7.524 -0.847 1.00 62.13 H new ATOM 0 HA3 GLY A 57 -5.506 -8.951 -1.250 1.00 62.13 H new ATOM 782 N LYS A 58 -6.868 -7.440 -3.832 1.00 52.44 N ATOM 783 CA LYS A 58 -6.623 -6.861 -5.178 1.00 61.34 C ATOM 784 C LYS A 58 -6.472 -5.315 -5.133 1.00 62.14 C ATOM 785 O LYS A 58 -5.838 -4.723 -6.005 1.00 21.43 O ATOM 786 CB LYS A 58 -7.768 -7.251 -6.163 1.00 53.41 C ATOM 787 CG LYS A 58 -9.153 -6.630 -5.846 1.00 71.23 C ATOM 788 CD LYS A 58 -10.155 -6.741 -7.020 1.00 13.24 C ATOM 789 CE LYS A 58 -10.646 -8.175 -7.285 1.00 41.40 C ATOM 790 NZ LYS A 58 -11.558 -8.668 -6.218 1.00 62.50 N ATOM 0 H LYS A 58 -7.847 -7.665 -3.655 1.00 52.44 H new ATOM 0 HA LYS A 58 -5.681 -7.278 -5.535 1.00 61.34 H new ATOM 0 HB2 LYS A 58 -7.476 -6.953 -7.170 1.00 53.41 H new ATOM 0 HB3 LYS A 58 -7.867 -8.336 -6.168 1.00 53.41 H new ATOM 0 HG2 LYS A 58 -9.574 -7.124 -4.970 1.00 71.23 H new ATOM 0 HG3 LYS A 58 -9.022 -5.579 -5.587 1.00 71.23 H new ATOM 0 HD2 LYS A 58 -11.016 -6.105 -6.812 1.00 13.24 H new ATOM 0 HD3 LYS A 58 -9.685 -6.355 -7.924 1.00 13.24 H new ATOM 0 HE2 LYS A 58 -11.162 -8.208 -8.244 1.00 41.40 H new ATOM 0 HE3 LYS A 58 -9.787 -8.842 -7.362 1.00 41.40 H new ATOM 0 HZ1 LYS A 58 -11.323 -9.655 -5.990 1.00 62.50 H new ATOM 0 HZ2 LYS A 58 -11.447 -8.080 -5.367 1.00 62.50 H new ATOM 0 HZ3 LYS A 58 -12.542 -8.614 -6.550 1.00 62.50 H new ATOM 804 N THR A 59 -7.070 -4.685 -4.103 1.00 21.32 N ATOM 805 CA THR A 59 -7.120 -3.210 -3.958 1.00 11.14 C ATOM 806 C THR A 59 -7.195 -2.804 -2.468 1.00 41.12 C ATOM 807 O THR A 59 -7.326 -3.658 -1.585 1.00 65.23 O ATOM 808 CB THR A 59 -8.337 -2.589 -4.750 1.00 61.14 C ATOM 809 OG1 THR A 59 -8.315 -1.146 -4.690 1.00 44.23 O ATOM 810 CG2 THR A 59 -9.698 -3.095 -4.229 1.00 34.33 C ATOM 0 H THR A 59 -7.535 -5.183 -3.344 1.00 21.32 H new ATOM 0 HA THR A 59 -6.199 -2.813 -4.385 1.00 11.14 H new ATOM 0 HB THR A 59 -8.224 -2.915 -5.784 1.00 61.14 H new ATOM 0 HG1 THR A 59 -8.856 -0.780 -5.421 1.00 44.23 H new ATOM 0 HG21 THR A 59 -10.501 -2.638 -4.807 1.00 34.33 H new ATOM 0 HG22 THR A 59 -9.747 -4.179 -4.333 1.00 34.33 H new ATOM 0 HG23 THR A 59 -9.808 -2.826 -3.178 1.00 34.33 H new ATOM 818 N VAL A 60 -7.084 -1.493 -2.210 1.00 40.33 N ATOM 819 CA VAL A 60 -7.189 -0.902 -0.862 1.00 73.20 C ATOM 820 C VAL A 60 -7.827 0.517 -0.936 1.00 14.10 C ATOM 821 O VAL A 60 -7.385 1.365 -1.714 1.00 22.23 O ATOM 822 CB VAL A 60 -5.775 -0.858 -0.142 1.00 51.55 C ATOM 823 CG1 VAL A 60 -4.692 -0.174 -1.010 1.00 61.12 C ATOM 824 CG2 VAL A 60 -5.874 -0.200 1.259 1.00 5.13 C ATOM 0 H VAL A 60 -6.916 -0.801 -2.940 1.00 40.33 H new ATOM 0 HA VAL A 60 -7.841 -1.537 -0.263 1.00 73.20 H new ATOM 0 HB VAL A 60 -5.461 -1.893 -0.005 1.00 51.55 H new ATOM 0 HG11 VAL A 60 -3.744 -0.170 -0.472 1.00 61.12 H new ATOM 0 HG12 VAL A 60 -4.576 -0.721 -1.945 1.00 61.12 H new ATOM 0 HG13 VAL A 60 -4.992 0.852 -1.225 1.00 61.12 H new ATOM 0 HG21 VAL A 60 -4.889 -0.186 1.725 1.00 5.13 H new ATOM 0 HG22 VAL A 60 -6.242 0.821 1.156 1.00 5.13 H new ATOM 0 HG23 VAL A 60 -6.561 -0.772 1.882 1.00 5.13 H new ATOM 834 N THR A 61 -8.883 0.757 -0.132 1.00 34.52 N ATOM 835 CA THR A 61 -9.548 2.080 -0.040 1.00 60.01 C ATOM 836 C THR A 61 -8.728 3.018 0.877 1.00 60.31 C ATOM 837 O THR A 61 -8.669 2.818 2.098 1.00 30.41 O ATOM 838 CB THR A 61 -11.015 1.950 0.500 1.00 42.52 C ATOM 839 OG1 THR A 61 -11.756 1.016 -0.311 1.00 70.42 O ATOM 840 CG2 THR A 61 -11.758 3.308 0.508 1.00 65.43 C ATOM 0 H THR A 61 -9.299 0.046 0.470 1.00 34.52 H new ATOM 0 HA THR A 61 -9.597 2.502 -1.044 1.00 60.01 H new ATOM 0 HB THR A 61 -10.948 1.594 1.528 1.00 42.52 H new ATOM 0 HG1 THR A 61 -12.670 0.938 0.033 1.00 70.42 H new ATOM 0 HG21 THR A 61 -12.769 3.167 0.890 1.00 65.43 H new ATOM 0 HG22 THR A 61 -11.224 4.011 1.147 1.00 65.43 H new ATOM 0 HG23 THR A 61 -11.805 3.703 -0.507 1.00 65.43 H new ATOM 848 N ILE A 62 -8.065 4.010 0.260 1.00 62.42 N ATOM 849 CA ILE A 62 -7.176 4.978 0.948 1.00 14.42 C ATOM 850 C ILE A 62 -7.781 6.400 0.906 1.00 15.22 C ATOM 851 O ILE A 62 -8.204 6.869 -0.154 1.00 42.15 O ATOM 852 CB ILE A 62 -5.753 4.999 0.263 1.00 52.11 C ATOM 853 CG1 ILE A 62 -5.217 3.542 0.086 1.00 1.01 C ATOM 854 CG2 ILE A 62 -4.750 5.876 1.064 1.00 33.41 C ATOM 855 CD1 ILE A 62 -3.869 3.427 -0.591 1.00 62.34 C ATOM 0 H ILE A 62 -8.128 4.170 -0.745 1.00 62.42 H new ATOM 0 HA ILE A 62 -7.075 4.663 1.987 1.00 14.42 H new ATOM 0 HB ILE A 62 -5.856 5.450 -0.724 1.00 52.11 H new ATOM 0 HG12 ILE A 62 -5.153 3.074 1.068 1.00 1.01 H new ATOM 0 HG13 ILE A 62 -5.945 2.972 -0.491 1.00 1.01 H new ATOM 0 HG21 ILE A 62 -3.781 5.868 0.565 1.00 33.41 H new ATOM 0 HG22 ILE A 62 -5.123 6.899 1.117 1.00 33.41 H new ATOM 0 HG23 ILE A 62 -4.642 5.476 2.072 1.00 33.41 H new ATOM 0 HD11 ILE A 62 -3.588 2.377 -0.665 1.00 62.34 H new ATOM 0 HD12 ILE A 62 -3.926 3.859 -1.590 1.00 62.34 H new ATOM 0 HD13 ILE A 62 -3.121 3.962 -0.006 1.00 62.34 H new ATOM 867 N THR A 63 -7.782 7.091 2.054 1.00 20.32 N ATOM 868 CA THR A 63 -8.315 8.471 2.171 1.00 4.23 C ATOM 869 C THR A 63 -7.170 9.465 2.491 1.00 25.14 C ATOM 870 O THR A 63 -6.242 9.133 3.241 1.00 1.13 O ATOM 871 CB THR A 63 -9.428 8.560 3.271 1.00 12.54 C ATOM 872 OG1 THR A 63 -10.397 7.513 3.067 1.00 4.44 O ATOM 873 CG2 THR A 63 -10.160 9.915 3.241 1.00 22.11 C ATOM 0 H THR A 63 -7.416 6.718 2.930 1.00 20.32 H new ATOM 0 HA THR A 63 -8.763 8.738 1.214 1.00 4.23 H new ATOM 0 HB THR A 63 -8.937 8.452 4.238 1.00 12.54 H new ATOM 0 HG1 THR A 63 -10.567 7.407 2.108 1.00 4.44 H new ATOM 0 HG21 THR A 63 -10.923 9.934 4.019 1.00 22.11 H new ATOM 0 HG22 THR A 63 -9.445 10.719 3.414 1.00 22.11 H new ATOM 0 HG23 THR A 63 -10.631 10.052 2.268 1.00 22.11 H new ATOM 881 N PHE A 64 -7.258 10.682 1.919 1.00 1.33 N ATOM 882 CA PHE A 64 -6.234 11.742 2.085 1.00 73.41 C ATOM 883 C PHE A 64 -6.390 12.448 3.455 1.00 21.55 C ATOM 884 O PHE A 64 -7.518 12.710 3.899 1.00 54.44 O ATOM 885 CB PHE A 64 -6.354 12.775 0.935 1.00 70.15 C ATOM 886 CG PHE A 64 -6.275 12.159 -0.457 1.00 64.00 C ATOM 887 CD1 PHE A 64 -7.423 11.699 -1.109 1.00 74.25 C ATOM 888 CD2 PHE A 64 -5.056 12.028 -1.107 1.00 32.13 C ATOM 889 CE1 PHE A 64 -7.343 11.127 -2.359 1.00 51.23 C ATOM 890 CE2 PHE A 64 -4.981 11.458 -2.355 1.00 71.12 C ATOM 891 CZ PHE A 64 -6.121 11.009 -2.985 1.00 1.51 C ATOM 0 H PHE A 64 -8.040 10.962 1.328 1.00 1.33 H new ATOM 0 HA PHE A 64 -5.248 11.279 2.050 1.00 73.41 H new ATOM 0 HB2 PHE A 64 -7.301 13.306 1.034 1.00 70.15 H new ATOM 0 HB3 PHE A 64 -5.561 13.515 1.040 1.00 70.15 H new ATOM 0 HD1 PHE A 64 -8.384 11.793 -0.626 1.00 74.25 H new ATOM 0 HD2 PHE A 64 -4.155 12.378 -0.626 1.00 32.13 H new ATOM 0 HE1 PHE A 64 -8.237 10.771 -2.849 1.00 51.23 H new ATOM 0 HE2 PHE A 64 -4.023 11.361 -2.845 1.00 71.12 H new ATOM 0 HZ PHE A 64 -6.057 10.565 -3.968 1.00 1.51 H new ATOM 901 N ALA A 65 -5.256 12.754 4.114 1.00 64.12 N ATOM 902 CA ALA A 65 -5.257 13.371 5.462 1.00 72.25 C ATOM 903 C ALA A 65 -4.133 14.416 5.623 1.00 1.12 C ATOM 904 O ALA A 65 -3.012 14.219 5.137 1.00 13.44 O ATOM 905 CB ALA A 65 -5.124 12.276 6.537 1.00 33.12 C ATOM 0 H ALA A 65 -4.324 12.585 3.737 1.00 64.12 H new ATOM 0 HA ALA A 65 -6.205 13.894 5.586 1.00 72.25 H new ATOM 0 HB1 ALA A 65 -5.125 12.735 7.526 1.00 33.12 H new ATOM 0 HB2 ALA A 65 -5.962 11.584 6.457 1.00 33.12 H new ATOM 0 HB3 ALA A 65 -4.190 11.733 6.390 1.00 33.12 H new ATOM 911 N ALA A 66 -4.455 15.539 6.307 1.00 44.22 N ATOM 912 CA ALA A 66 -3.456 16.553 6.716 1.00 64.24 C ATOM 913 C ALA A 66 -2.648 16.068 7.943 1.00 31.23 C ATOM 914 O ALA A 66 -1.583 16.607 8.253 1.00 1.44 O ATOM 915 CB ALA A 66 -4.146 17.900 7.000 1.00 14.43 C ATOM 0 H ALA A 66 -5.408 15.766 6.589 1.00 44.22 H new ATOM 0 HA ALA A 66 -2.753 16.697 5.895 1.00 64.24 H new ATOM 0 HB1 ALA A 66 -3.399 18.635 7.299 1.00 14.43 H new ATOM 0 HB2 ALA A 66 -4.655 18.245 6.100 1.00 14.43 H new ATOM 0 HB3 ALA A 66 -4.873 17.774 7.802 1.00 14.43 H new ATOM 921 N ASP A 67 -3.192 15.056 8.645 1.00 63.25 N ATOM 922 CA ASP A 67 -2.477 14.306 9.698 1.00 42.11 C ATOM 923 C ASP A 67 -1.813 13.049 9.082 1.00 50.52 C ATOM 924 O ASP A 67 -1.980 12.764 7.891 1.00 63.43 O ATOM 925 CB ASP A 67 -3.467 13.887 10.814 1.00 2.52 C ATOM 926 CG ASP A 67 -4.217 15.080 11.422 1.00 43.53 C ATOM 927 OD1 ASP A 67 -3.682 15.727 12.344 1.00 62.23 O ATOM 928 OD2 ASP A 67 -5.338 15.389 10.965 1.00 21.22 O ATOM 0 H ASP A 67 -4.148 14.732 8.497 1.00 63.25 H new ATOM 0 HA ASP A 67 -1.706 14.943 10.131 1.00 42.11 H new ATOM 0 HB2 ASP A 67 -4.189 13.179 10.406 1.00 2.52 H new ATOM 0 HB3 ASP A 67 -2.921 13.367 11.601 1.00 2.52 H new ATOM 933 N ASP A 68 -1.116 12.267 9.920 1.00 15.53 N ATOM 934 CA ASP A 68 -0.418 11.024 9.492 1.00 71.23 C ATOM 935 C ASP A 68 -1.385 9.795 9.456 1.00 4.31 C ATOM 936 O ASP A 68 -0.960 8.646 9.616 1.00 73.13 O ATOM 937 CB ASP A 68 0.782 10.778 10.446 1.00 24.53 C ATOM 938 CG ASP A 68 1.701 12.008 10.543 1.00 42.04 C ATOM 939 OD1 ASP A 68 2.613 12.154 9.705 1.00 50.32 O ATOM 940 OD2 ASP A 68 1.486 12.859 11.435 1.00 72.02 O ATOM 0 H ASP A 68 -1.014 12.470 10.914 1.00 15.53 H new ATOM 0 HA ASP A 68 -0.054 11.150 8.473 1.00 71.23 H new ATOM 0 HB2 ASP A 68 0.410 10.524 11.439 1.00 24.53 H new ATOM 0 HB3 ASP A 68 1.357 9.922 10.092 1.00 24.53 H new ATOM 945 N SER A 69 -2.683 10.056 9.207 1.00 54.42 N ATOM 946 CA SER A 69 -3.744 9.018 9.111 1.00 55.12 C ATOM 947 C SER A 69 -3.912 8.491 7.656 1.00 63.24 C ATOM 948 O SER A 69 -4.722 7.596 7.403 1.00 21.20 O ATOM 949 CB SER A 69 -5.085 9.627 9.601 1.00 61.20 C ATOM 950 OG SER A 69 -4.972 10.190 10.906 1.00 22.31 O ATOM 0 H SER A 69 -3.035 11.003 9.064 1.00 54.42 H new ATOM 0 HA SER A 69 -3.453 8.173 9.735 1.00 55.12 H new ATOM 0 HB2 SER A 69 -5.410 10.397 8.901 1.00 61.20 H new ATOM 0 HB3 SER A 69 -5.854 8.854 9.605 1.00 61.20 H new ATOM 0 HG SER A 69 -5.836 10.564 11.177 1.00 22.31 H new ATOM 956 N ASP A 70 -3.155 9.077 6.715 1.00 12.25 N ATOM 957 CA ASP A 70 -3.239 8.777 5.264 1.00 14.45 C ATOM 958 C ASP A 70 -2.456 7.495 4.847 1.00 32.40 C ATOM 959 O ASP A 70 -2.935 6.705 4.018 1.00 41.51 O ATOM 960 CB ASP A 70 -2.703 10.005 4.481 1.00 64.22 C ATOM 961 CG ASP A 70 -1.197 10.264 4.709 1.00 1.21 C ATOM 962 OD1 ASP A 70 -0.806 10.598 5.855 1.00 40.41 O ATOM 963 OD2 ASP A 70 -0.396 10.083 3.766 1.00 61.41 O ATOM 0 H ASP A 70 -2.455 9.784 6.937 1.00 12.25 H new ATOM 0 HA ASP A 70 -4.284 8.579 5.026 1.00 14.45 H new ATOM 0 HB2 ASP A 70 -2.882 9.855 3.416 1.00 64.22 H new ATOM 0 HB3 ASP A 70 -3.266 10.890 4.777 1.00 64.22 H new ATOM 968 N ASN A 71 -1.256 7.310 5.431 1.00 51.14 N ATOM 969 CA ASN A 71 -0.258 6.318 4.962 1.00 71.24 C ATOM 970 C ASN A 71 -0.711 4.839 5.136 1.00 64.14 C ATOM 971 O ASN A 71 -1.030 4.392 6.236 1.00 0.11 O ATOM 972 CB ASN A 71 1.119 6.569 5.638 1.00 74.45 C ATOM 973 CG ASN A 71 1.028 6.762 7.153 1.00 71.33 C ATOM 974 OD1 ASN A 71 1.082 5.813 7.931 1.00 75.53 O ATOM 975 ND2 ASN A 71 0.887 8.001 7.582 1.00 74.25 N ATOM 0 H ASN A 71 -0.947 7.844 6.243 1.00 51.14 H new ATOM 0 HA ASN A 71 -0.161 6.467 3.887 1.00 71.24 H new ATOM 0 HB2 ASN A 71 1.778 5.727 5.426 1.00 74.45 H new ATOM 0 HB3 ASN A 71 1.577 7.453 5.194 1.00 74.45 H new ATOM 0 HD21 ASN A 71 0.820 8.190 8.582 1.00 74.25 H new ATOM 0 HD22 ASN A 71 0.845 8.770 6.914 1.00 74.25 H new ATOM 982 N VAL A 72 -0.755 4.120 4.004 1.00 33.11 N ATOM 983 CA VAL A 72 -1.054 2.680 3.918 1.00 61.32 C ATOM 984 C VAL A 72 0.219 1.893 3.520 1.00 44.10 C ATOM 985 O VAL A 72 0.845 2.189 2.495 1.00 41.24 O ATOM 986 CB VAL A 72 -2.203 2.437 2.869 1.00 63.31 C ATOM 987 CG1 VAL A 72 -2.450 0.935 2.595 1.00 51.24 C ATOM 988 CG2 VAL A 72 -3.503 3.141 3.326 1.00 43.10 C ATOM 0 H VAL A 72 -0.577 4.539 3.091 1.00 33.11 H new ATOM 0 HA VAL A 72 -1.387 2.325 4.893 1.00 61.32 H new ATOM 0 HB VAL A 72 -1.878 2.873 1.924 1.00 63.31 H new ATOM 0 HG11 VAL A 72 -3.252 0.825 1.865 1.00 51.24 H new ATOM 0 HG12 VAL A 72 -1.539 0.482 2.204 1.00 51.24 H new ATOM 0 HG13 VAL A 72 -2.733 0.438 3.523 1.00 51.24 H new ATOM 0 HG21 VAL A 72 -4.289 2.965 2.592 1.00 43.10 H new ATOM 0 HG22 VAL A 72 -3.813 2.742 4.292 1.00 43.10 H new ATOM 0 HG23 VAL A 72 -3.324 4.212 3.416 1.00 43.10 H new ATOM 998 N VAL A 73 0.594 0.891 4.335 1.00 32.02 N ATOM 999 CA VAL A 73 1.815 0.077 4.118 1.00 62.44 C ATOM 1000 C VAL A 73 1.452 -1.377 3.716 1.00 71.23 C ATOM 1001 O VAL A 73 0.776 -2.086 4.466 1.00 71.15 O ATOM 1002 CB VAL A 73 2.738 0.082 5.399 1.00 53.34 C ATOM 1003 CG1 VAL A 73 4.021 -0.763 5.191 1.00 64.42 C ATOM 1004 CG2 VAL A 73 3.097 1.532 5.816 1.00 10.21 C ATOM 0 H VAL A 73 0.064 0.619 5.163 1.00 32.02 H new ATOM 0 HA VAL A 73 2.370 0.530 3.297 1.00 62.44 H new ATOM 0 HB VAL A 73 2.171 -0.380 6.207 1.00 53.34 H new ATOM 0 HG11 VAL A 73 4.627 -0.732 6.096 1.00 64.42 H new ATOM 0 HG12 VAL A 73 3.746 -1.795 4.973 1.00 64.42 H new ATOM 0 HG13 VAL A 73 4.593 -0.356 4.357 1.00 64.42 H new ATOM 0 HG21 VAL A 73 3.733 1.509 6.701 1.00 10.21 H new ATOM 0 HG22 VAL A 73 3.627 2.025 5.001 1.00 10.21 H new ATOM 0 HG23 VAL A 73 2.184 2.083 6.040 1.00 10.21 H new ATOM 1014 N ILE A 74 1.909 -1.798 2.521 1.00 30.41 N ATOM 1015 CA ILE A 74 1.716 -3.172 1.995 1.00 71.51 C ATOM 1016 C ILE A 74 2.939 -4.050 2.380 1.00 12.43 C ATOM 1017 O ILE A 74 4.078 -3.597 2.283 1.00 61.13 O ATOM 1018 CB ILE A 74 1.556 -3.162 0.419 1.00 54.33 C ATOM 1019 CG1 ILE A 74 0.537 -2.059 -0.050 1.00 62.02 C ATOM 1020 CG2 ILE A 74 1.143 -4.564 -0.109 1.00 31.13 C ATOM 1021 CD1 ILE A 74 -0.897 -2.228 0.441 1.00 30.41 C ATOM 0 H ILE A 74 2.427 -1.192 1.885 1.00 30.41 H new ATOM 0 HA ILE A 74 0.806 -3.582 2.433 1.00 71.51 H new ATOM 0 HB ILE A 74 2.528 -2.914 -0.008 1.00 54.33 H new ATOM 0 HG12 ILE A 74 0.903 -1.088 0.283 1.00 62.02 H new ATOM 0 HG13 ILE A 74 0.528 -2.039 -1.140 1.00 62.02 H new ATOM 0 HG21 ILE A 74 1.040 -4.529 -1.194 1.00 31.13 H new ATOM 0 HG22 ILE A 74 1.907 -5.293 0.159 1.00 31.13 H new ATOM 0 HG23 ILE A 74 0.192 -4.855 0.336 1.00 31.13 H new ATOM 0 HD11 ILE A 74 -1.511 -1.413 0.058 1.00 30.41 H new ATOM 0 HD12 ILE A 74 -1.294 -3.179 0.086 1.00 30.41 H new ATOM 0 HD13 ILE A 74 -0.913 -2.213 1.531 1.00 30.41 H new ATOM 1033 N HIS A 75 2.696 -5.301 2.813 1.00 4.25 N ATOM 1034 CA HIS A 75 3.766 -6.231 3.290 1.00 0.21 C ATOM 1035 C HIS A 75 3.880 -7.474 2.368 1.00 22.31 C ATOM 1036 O HIS A 75 2.858 -8.010 1.933 1.00 10.31 O ATOM 1037 CB HIS A 75 3.466 -6.661 4.744 1.00 2.04 C ATOM 1038 CG HIS A 75 3.408 -5.510 5.722 1.00 72.51 C ATOM 1039 ND1 HIS A 75 4.419 -5.220 6.610 1.00 53.13 N ATOM 1040 CD2 HIS A 75 2.457 -4.568 5.932 1.00 0.23 C ATOM 1041 CE1 HIS A 75 4.091 -4.163 7.321 1.00 71.41 C ATOM 1042 NE2 HIS A 75 2.906 -3.747 6.933 1.00 4.33 N ATOM 0 H HIS A 75 1.760 -5.705 2.847 1.00 4.25 H new ATOM 0 HA HIS A 75 4.722 -5.708 3.258 1.00 0.21 H new ATOM 0 HB2 HIS A 75 2.515 -7.193 4.767 1.00 2.04 H new ATOM 0 HB3 HIS A 75 4.232 -7.364 5.070 1.00 2.04 H new ATOM 0 HD2 HIS A 75 1.517 -4.480 5.407 1.00 0.23 H new ATOM 0 HE1 HIS A 75 4.695 -3.712 8.095 1.00 71.41 H new ATOM 0 HE2 HIS A 75 2.404 -2.945 7.314 1.00 4.33 H new ATOM 1051 N LEU A 76 5.134 -7.927 2.078 1.00 34.15 N ATOM 1052 CA LEU A 76 5.420 -9.047 1.119 1.00 63.44 C ATOM 1053 C LEU A 76 6.546 -9.996 1.649 1.00 12.12 C ATOM 1054 O LEU A 76 7.540 -9.530 2.151 1.00 5.51 O ATOM 1055 CB LEU A 76 5.882 -8.438 -0.247 1.00 32.12 C ATOM 1056 CG LEU A 76 4.908 -7.414 -0.924 1.00 60.40 C ATOM 1057 CD1 LEU A 76 5.583 -6.671 -2.099 1.00 55.44 C ATOM 1058 CD2 LEU A 76 3.593 -8.098 -1.368 1.00 45.24 C ATOM 0 H LEU A 76 5.975 -7.531 2.498 1.00 34.15 H new ATOM 0 HA LEU A 76 4.508 -9.632 1.003 1.00 63.44 H new ATOM 0 HB2 LEU A 76 6.842 -7.945 -0.093 1.00 32.12 H new ATOM 0 HB3 LEU A 76 6.053 -9.258 -0.945 1.00 32.12 H new ATOM 0 HG LEU A 76 4.654 -6.665 -0.174 1.00 60.40 H new ATOM 0 HD11 LEU A 76 4.875 -5.970 -2.541 1.00 55.44 H new ATOM 0 HD12 LEU A 76 6.453 -6.125 -1.733 1.00 55.44 H new ATOM 0 HD13 LEU A 76 5.898 -7.393 -2.853 1.00 55.44 H new ATOM 0 HD21 LEU A 76 2.939 -7.361 -1.834 1.00 45.24 H new ATOM 0 HD22 LEU A 76 3.818 -8.888 -2.084 1.00 45.24 H new ATOM 0 HD23 LEU A 76 3.095 -8.527 -0.499 1.00 45.24 H new ATOM 1070 N LYS A 77 6.415 -11.325 1.490 1.00 24.43 N ATOM 1071 CA LYS A 77 7.521 -12.287 1.794 1.00 13.45 C ATOM 1072 C LYS A 77 8.338 -12.576 0.515 1.00 33.35 C ATOM 1073 O LYS A 77 7.859 -12.353 -0.591 1.00 15.41 O ATOM 1074 CB LYS A 77 6.952 -13.620 2.369 1.00 11.10 C ATOM 1075 CG LYS A 77 6.139 -13.458 3.675 1.00 65.33 C ATOM 1076 CD LYS A 77 5.579 -14.789 4.233 1.00 71.22 C ATOM 1077 CE LYS A 77 6.668 -15.712 4.804 1.00 43.21 C ATOM 1078 NZ LYS A 77 7.318 -15.124 6.011 1.00 31.01 N ATOM 0 H LYS A 77 5.561 -11.769 1.154 1.00 24.43 H new ATOM 0 HA LYS A 77 8.171 -11.835 2.543 1.00 13.45 H new ATOM 0 HB2 LYS A 77 6.316 -14.084 1.615 1.00 11.10 H new ATOM 0 HB3 LYS A 77 7.780 -14.304 2.554 1.00 11.10 H new ATOM 0 HG2 LYS A 77 6.773 -12.996 4.432 1.00 65.33 H new ATOM 0 HG3 LYS A 77 5.310 -12.774 3.493 1.00 65.33 H new ATOM 0 HD2 LYS A 77 4.851 -14.570 5.014 1.00 71.22 H new ATOM 0 HD3 LYS A 77 5.047 -15.313 3.439 1.00 71.22 H new ATOM 0 HE2 LYS A 77 6.229 -16.676 5.061 1.00 43.21 H new ATOM 0 HE3 LYS A 77 7.423 -15.899 4.040 1.00 43.21 H new ATOM 0 HZ1 LYS A 77 8.351 -15.146 5.894 1.00 31.01 H new ATOM 0 HZ2 LYS A 77 7.004 -14.140 6.130 1.00 31.01 H new ATOM 0 HZ3 LYS A 77 7.053 -15.676 6.852 1.00 31.01 H new ATOM 1092 N HIS A 78 9.582 -13.056 0.669 1.00 64.14 N ATOM 1093 CA HIS A 78 10.409 -13.487 -0.488 1.00 14.35 C ATOM 1094 C HIS A 78 10.078 -14.943 -0.892 1.00 21.22 C ATOM 1095 O HIS A 78 9.692 -15.760 -0.048 1.00 2.33 O ATOM 1096 CB HIS A 78 11.923 -13.334 -0.177 1.00 64.23 C ATOM 1097 CG HIS A 78 12.410 -11.901 -0.110 1.00 31.54 C ATOM 1098 ND1 HIS A 78 13.663 -11.556 0.353 1.00 61.12 N ATOM 1099 CD2 HIS A 78 11.829 -10.733 -0.496 1.00 64.40 C ATOM 1100 CE1 HIS A 78 13.832 -10.255 0.246 1.00 1.43 C ATOM 1101 NE2 HIS A 78 12.737 -9.730 -0.264 1.00 54.44 N ATOM 0 H HIS A 78 10.042 -13.158 1.574 1.00 64.14 H new ATOM 0 HA HIS A 78 10.169 -12.838 -1.330 1.00 14.35 H new ATOM 0 HB2 HIS A 78 12.136 -13.822 0.774 1.00 64.23 H new ATOM 0 HB3 HIS A 78 12.493 -13.863 -0.941 1.00 64.23 H new ATOM 0 HD1 HIS A 78 14.353 -12.210 0.722 1.00 61.12 H new ATOM 0 HD2 HIS A 78 10.838 -10.617 -0.908 1.00 64.40 H new ATOM 0 HE1 HIS A 78 14.720 -9.709 0.529 1.00 1.43 H new ATOM 1110 N GLY A 79 10.235 -15.244 -2.190 1.00 50.50 N ATOM 1111 CA GLY A 79 10.001 -16.589 -2.722 1.00 71.41 C ATOM 1112 C GLY A 79 11.215 -17.503 -2.530 1.00 52.11 C ATOM 1113 O GLY A 79 12.165 -17.454 -3.313 1.00 51.44 O ATOM 0 H GLY A 79 10.526 -14.565 -2.894 1.00 50.50 H new ATOM 0 HA2 GLY A 79 9.135 -17.029 -2.227 1.00 71.41 H new ATOM 0 HA3 GLY A 79 9.762 -16.522 -3.783 1.00 71.41 H new ATOM 1117 N LEU A 80 11.197 -18.314 -1.463 1.00 12.13 N ATOM 1118 CA LEU A 80 12.288 -19.267 -1.151 1.00 2.32 C ATOM 1119 C LEU A 80 12.226 -20.501 -2.099 1.00 72.13 C ATOM 1120 O LEU A 80 13.120 -20.682 -2.933 1.00 3.14 O ATOM 1121 CB LEU A 80 12.241 -19.688 0.358 1.00 70.23 C ATOM 1122 CG LEU A 80 12.886 -18.693 1.401 1.00 3.32 C ATOM 1123 CD1 LEU A 80 12.271 -17.279 1.342 1.00 13.11 C ATOM 1124 CD2 LEU A 80 12.802 -19.269 2.834 1.00 60.24 C ATOM 0 H LEU A 80 10.431 -18.333 -0.790 1.00 12.13 H new ATOM 0 HA LEU A 80 13.244 -18.771 -1.321 1.00 2.32 H new ATOM 0 HB2 LEU A 80 11.198 -19.839 0.635 1.00 70.23 H new ATOM 0 HB3 LEU A 80 12.740 -20.652 0.456 1.00 70.23 H new ATOM 0 HG LEU A 80 13.935 -18.588 1.124 1.00 3.32 H new ATOM 0 HD11 LEU A 80 12.755 -16.641 2.081 1.00 13.11 H new ATOM 0 HD12 LEU A 80 12.420 -16.859 0.347 1.00 13.11 H new ATOM 0 HD13 LEU A 80 11.204 -17.337 1.556 1.00 13.11 H new ATOM 0 HD21 LEU A 80 13.252 -18.567 3.535 1.00 60.24 H new ATOM 0 HD22 LEU A 80 11.757 -19.429 3.101 1.00 60.24 H new ATOM 0 HD23 LEU A 80 13.337 -20.218 2.877 1.00 60.24 H new