USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 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 33 TYR OH : rot -71:sc= 0.668 USER MOD Set 1.2: A 86 SER OG : rot -109:sc= 2.37 USER MOD Set 2.1: A 84 TYR OH : rot 165:sc= 0.0146 USER MOD Set 2.2: A 101 TYR OH : rot 84:sc= 1.18 USER MOD Set 3.1: A 55 THR OG1 : rot -45:sc= 0.154 USER MOD Set 3.2: A 61 THR OG1 : rot 18:sc= 1.23 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0.328 USER MOD Set 4.2: A 109 THR OG1 : rot 167:sc= 0.358 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 21 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.51) USER MOD Single : A 22 SER OG : rot -125:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -93:sc= 0.901 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0195 K(o=-0.019,f=-1.9!) USER MOD Single : A 39 ASN : amide:sc= -0.236 K(o=-0.24,f=-9.2!) USER MOD Single : A 51 HIS : no HE2:sc= -0.388 X(o=-0.39,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.33) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-0.84) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 100:sc= 0.16 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 97 MET CE :methyl -107:sc= -0.27 (180deg=-1.11) USER MOD Single : A 98 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.1) USER MOD Single : A 100 HIS : no HE2:sc= -14.8! C(o=-15!,f=-16!) USER MOD Single : A 103 MET CE :methyl -126:sc= -0.281 (180deg=-1.37) USER MOD Single : A 121 SER OG : rot 36:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.278 86.519 81.766 1.00 0.00 N ATOM 2 CA ARG A 6 54.023 86.821 82.516 1.00 0.00 C ATOM 3 C ARG A 6 53.739 88.328 82.502 1.00 0.00 C ATOM 4 O ARG A 6 52.608 88.752 82.670 1.00 0.00 O ATOM 5 CB ARG A 6 54.286 86.336 83.941 1.00 0.00 C ATOM 6 CG ARG A 6 54.399 84.810 83.950 1.00 0.00 C ATOM 7 CD ARG A 6 54.662 84.326 85.378 1.00 0.00 C ATOM 8 NE ARG A 6 54.840 82.852 85.257 1.00 0.00 N ATOM 9 CZ ARG A 6 53.988 82.043 85.824 1.00 0.00 C ATOM 10 NH1 ARG A 6 52.781 81.927 85.344 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.344 81.351 86.872 1.00 0.00 N ATOM 0 HA ARG A 6 53.154 86.335 82.074 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.204 86.781 84.324 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.478 86.655 84.600 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.481 84.364 83.567 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.207 84.491 83.292 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.550 84.798 85.798 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.829 84.570 86.038 1.00 0.00 H new ATOM 0 HE ARG A 6 55.628 82.475 84.731 1.00 0.00 H new ATOM 0 HH11 ARG A 6 52.503 82.469 84.526 1.00 0.00 H new ATOM 0 HH12 ARG A 6 52.115 81.295 85.787 1.00 0.00 H new ATOM 0 HH21 ARG A 6 55.288 81.443 87.247 1.00 0.00 H new ATOM 0 HH22 ARG A 6 53.678 80.718 87.316 1.00 0.00 H new ATOM 25 N TYR A 7 54.753 89.138 82.305 1.00 31.93 N ATOM 26 CA TYR A 7 54.542 90.618 82.280 1.00 29.59 C ATOM 27 C TYR A 7 54.879 91.180 80.895 1.00 29.68 C ATOM 28 O TYR A 7 56.028 91.245 80.501 1.00 30.50 O ATOM 29 CB TYR A 7 55.501 91.177 83.334 1.00 27.35 C ATOM 30 CG TYR A 7 55.145 90.619 84.692 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.866 90.829 85.220 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.094 89.894 85.421 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.536 90.311 86.479 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.764 89.377 86.680 1.00 22.47 C ATOM 35 CZ TYR A 7 54.485 89.585 87.209 1.00 22.87 C ATOM 36 OH TYR A 7 54.160 89.075 88.449 1.00 25.71 O ATOM 0 H TYR A 7 55.717 88.836 82.161 1.00 31.93 H new ATOM 0 HA TYR A 7 53.507 90.888 82.488 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.528 90.915 83.080 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.444 92.265 83.351 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.134 91.390 84.657 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.081 89.733 85.013 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.549 90.472 86.887 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.497 88.818 87.243 1.00 22.47 H new ATOM 0 HH TYR A 7 54.932 88.598 88.819 1.00 25.71 H new ATOM 46 N ARG A 8 53.877 91.585 80.159 1.00 0.00 N ATOM 47 CA ARG A 8 54.109 92.148 78.795 1.00 0.00 C ATOM 48 C ARG A 8 52.995 93.135 78.434 1.00 0.00 C ATOM 49 O ARG A 8 51.826 92.876 78.636 1.00 0.00 O ATOM 50 CB ARG A 8 54.089 90.946 77.851 1.00 0.00 C ATOM 51 CG ARG A 8 55.405 90.175 77.975 1.00 0.00 C ATOM 52 CD ARG A 8 55.459 89.083 76.904 1.00 0.00 C ATOM 53 NE ARG A 8 56.862 88.584 76.935 1.00 0.00 N ATOM 54 CZ ARG A 8 57.220 87.697 77.823 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.560 86.576 77.929 1.00 0.00 N ATOM 56 NH2 ARG A 8 58.241 87.929 78.602 1.00 0.00 N ATOM 0 H ARG A 8 52.899 91.550 80.447 1.00 0.00 H new ATOM 0 HA ARG A 8 55.051 92.693 78.732 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.250 90.294 78.093 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.947 91.280 76.823 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.249 90.855 77.860 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.487 89.731 78.967 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.750 88.283 77.119 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.203 89.480 75.922 1.00 0.00 H new ATOM 0 HE ARG A 8 57.543 88.936 76.262 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.764 86.393 77.318 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.840 85.883 78.623 1.00 0.00 H new ATOM 0 HH21 ARG A 8 58.759 88.803 78.517 1.00 0.00 H new ATOM 0 HH22 ARG A 8 58.521 87.236 79.296 1.00 0.00 H new ATOM 70 N VAL A 9 53.366 94.270 77.901 1.00 0.00 N ATOM 71 CA VAL A 9 52.364 95.306 77.510 1.00 0.00 C ATOM 72 C VAL A 9 52.916 96.132 76.343 1.00 0.00 C ATOM 73 O VAL A 9 53.873 96.869 76.487 1.00 0.00 O ATOM 74 CB VAL A 9 52.178 96.186 78.755 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.177 97.304 78.453 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.644 95.336 79.912 1.00 0.00 C ATOM 0 H VAL A 9 54.336 94.527 77.717 1.00 0.00 H new ATOM 0 HA VAL A 9 51.418 94.871 77.187 1.00 0.00 H new ATOM 0 HB VAL A 9 53.139 96.620 79.030 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.048 97.926 79.339 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.551 97.915 77.632 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.218 96.868 78.173 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.513 95.963 80.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.685 94.900 79.631 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.353 94.539 80.136 1.00 0.00 H new ATOM 86 N GLU A 10 52.299 96.026 75.196 1.00 0.00 N ATOM 87 CA GLU A 10 52.739 96.805 74.002 1.00 0.00 C ATOM 88 C GLU A 10 51.728 97.915 73.707 1.00 0.00 C ATOM 89 O GLU A 10 50.537 97.682 73.619 1.00 0.00 O ATOM 90 CB GLU A 10 52.766 95.788 72.859 1.00 0.00 C ATOM 91 CG GLU A 10 53.255 96.469 71.577 1.00 0.00 C ATOM 92 CD GLU A 10 53.286 95.459 70.421 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.318 94.268 70.692 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.285 95.897 69.283 1.00 0.00 O ATOM 0 H GLU A 10 51.494 95.421 75.034 1.00 0.00 H new ATOM 0 HA GLU A 10 53.709 97.282 74.146 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.423 94.956 73.114 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.770 95.372 72.705 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.598 97.302 71.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.250 96.885 71.734 1.00 0.00 H new ATOM 101 N VAL A 11 52.208 99.122 73.558 1.00 26.88 N ATOM 102 CA VAL A 11 51.298 100.271 73.272 1.00 26.83 C ATOM 103 C VAL A 11 51.665 100.907 71.927 1.00 27.58 C ATOM 104 O VAL A 11 52.827 101.056 71.598 1.00 28.21 O ATOM 105 CB VAL A 11 51.521 101.262 74.419 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.609 102.477 74.232 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.193 100.587 75.754 1.00 25.75 C ATOM 0 H VAL A 11 53.197 99.363 73.623 1.00 26.88 H new ATOM 0 HA VAL A 11 50.254 99.964 73.206 1.00 26.83 H new ATOM 0 HB VAL A 11 52.563 101.582 74.418 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.769 103.181 75.049 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.840 102.963 73.284 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.568 102.154 74.230 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.352 101.294 76.568 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.152 100.264 75.752 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.841 99.722 75.893 1.00 25.75 H new ATOM 117 N GLU A 12 50.682 101.286 71.150 1.00 0.00 N ATOM 118 CA GLU A 12 50.958 101.917 69.824 1.00 0.00 C ATOM 119 C GLU A 12 50.322 103.308 69.773 1.00 0.00 C ATOM 120 O GLU A 12 49.198 103.502 70.200 1.00 0.00 O ATOM 121 CB GLU A 12 50.299 100.991 68.801 1.00 0.00 C ATOM 122 CG GLU A 12 51.081 99.675 68.726 1.00 0.00 C ATOM 123 CD GLU A 12 50.430 98.734 67.702 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.267 98.933 67.386 1.00 0.00 O ATOM 125 OE2 GLU A 12 51.110 97.828 67.250 1.00 0.00 O ATOM 0 H GLU A 12 49.693 101.184 71.379 1.00 0.00 H new ATOM 0 HA GLU A 12 52.024 102.040 69.633 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.265 100.796 69.084 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.277 101.470 67.822 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.115 99.873 68.444 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.103 99.199 69.706 1.00 0.00 H new ATOM 132 N VAL A 13 51.036 104.278 69.260 1.00 26.55 N ATOM 133 CA VAL A 13 50.486 105.666 69.185 1.00 26.45 C ATOM 134 C VAL A 13 50.644 106.228 67.769 1.00 27.95 C ATOM 135 O VAL A 13 51.668 106.060 67.133 1.00 27.94 O ATOM 136 CB VAL A 13 51.308 106.482 70.189 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.796 107.924 70.221 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.176 105.868 71.585 1.00 26.97 C ATOM 0 H VAL A 13 51.980 104.168 68.889 1.00 26.55 H new ATOM 0 HA VAL A 13 49.421 105.697 69.417 1.00 26.45 H new ATOM 0 HB VAL A 13 52.355 106.472 69.885 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.382 108.502 70.935 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.893 108.367 69.230 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.748 107.931 70.521 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.762 106.451 72.296 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.129 105.873 71.887 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.543 104.842 71.567 1.00 26.97 H new ATOM 148 N SER A 14 49.627 106.894 67.276 1.00 0.00 N ATOM 149 CA SER A 14 49.699 107.473 65.901 1.00 0.00 C ATOM 150 C SER A 14 49.384 108.980 65.931 1.00 0.00 C ATOM 151 O SER A 14 48.238 109.368 66.061 1.00 0.00 O ATOM 152 CB SER A 14 48.640 106.720 65.098 1.00 0.00 C ATOM 153 OG SER A 14 48.630 107.205 63.762 1.00 0.00 O ATOM 0 H SER A 14 48.750 107.061 67.769 1.00 0.00 H new ATOM 0 HA SER A 14 50.693 107.370 65.466 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.852 105.651 65.107 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.659 106.854 65.553 1.00 0.00 H new ATOM 0 HG SER A 14 47.952 106.723 63.244 1.00 0.00 H new ATOM 159 N PRO A 15 50.418 109.781 65.803 1.00 28.75 N ATOM 160 CA PRO A 15 50.200 111.258 65.812 1.00 30.20 C ATOM 161 C PRO A 15 49.800 111.763 64.420 1.00 33.00 C ATOM 162 O PRO A 15 49.938 111.074 63.428 1.00 32.76 O ATOM 163 CB PRO A 15 51.548 111.836 66.226 1.00 29.34 C ATOM 164 CG PRO A 15 52.546 110.802 65.828 1.00 29.59 C ATOM 165 CD PRO A 15 51.856 109.468 65.913 1.00 28.91 C ATOM 0 HA PRO A 15 49.394 111.552 66.484 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.741 112.785 65.726 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.583 112.027 67.298 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.908 110.985 64.816 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.414 110.830 66.487 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.179 108.804 65.111 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.081 108.965 66.854 1.00 28.91 H new ATOM 173 N ARG A 16 49.294 112.970 64.359 1.00 34.77 N ATOM 174 CA ARG A 16 48.860 113.561 63.055 1.00 37.64 C ATOM 175 C ARG A 16 48.845 115.093 63.152 1.00 38.99 C ATOM 176 O ARG A 16 48.348 115.665 64.104 1.00 38.96 O ATOM 177 CB ARG A 16 47.450 113.015 62.799 1.00 40.22 C ATOM 178 CG ARG A 16 46.524 113.384 63.961 1.00 43.41 C ATOM 179 CD ARG A 16 45.126 112.818 63.701 1.00 47.90 C ATOM 180 NE ARG A 16 44.446 113.840 62.860 1.00 51.85 N ATOM 181 CZ ARG A 16 43.153 113.996 62.940 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.361 112.972 62.775 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.651 115.175 63.186 1.00 54.10 N ATOM 0 H ARG A 16 49.162 113.578 65.167 1.00 34.77 H new ATOM 0 HA ARG A 16 49.537 113.300 62.242 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.057 113.423 61.867 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.487 111.932 62.683 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.920 112.987 64.896 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.475 114.467 64.070 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.178 111.857 63.189 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.587 112.653 64.634 1.00 47.90 H new ATOM 0 HE ARG A 16 44.991 114.419 62.221 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.753 112.050 62.584 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.350 113.094 62.838 1.00 53.27 H new ATOM 0 HH21 ARG A 16 43.269 115.976 63.316 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.640 115.296 63.248 1.00 54.10 H new ATOM 197 N PHE A 17 49.413 115.749 62.173 1.00 0.00 N ATOM 198 CA PHE A 17 49.473 117.247 62.180 1.00 0.00 C ATOM 199 C PHE A 17 48.067 117.861 62.212 1.00 0.00 C ATOM 200 O PHE A 17 47.161 117.397 61.545 1.00 0.00 O ATOM 201 CB PHE A 17 50.179 117.613 60.871 1.00 0.00 C ATOM 202 CG PHE A 17 50.408 119.105 60.816 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.407 119.687 61.607 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.626 119.906 59.975 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.623 121.069 61.555 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.843 121.288 59.925 1.00 0.00 C ATOM 207 CZ PHE A 17 50.841 121.869 60.715 1.00 0.00 C ATOM 0 H PHE A 17 49.843 115.309 61.360 1.00 0.00 H new ATOM 0 HA PHE A 17 49.993 117.625 63.060 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.131 117.086 60.800 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.576 117.296 60.020 1.00 0.00 H new ATOM 0 HD1 PHE A 17 52.010 119.070 62.256 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.856 119.458 59.365 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.394 121.518 62.164 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.240 121.906 59.276 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.008 122.935 60.676 1.00 0.00 H new ATOM 217 N LEU A 18 47.887 118.909 62.979 1.00 0.00 N ATOM 218 CA LEU A 18 46.548 119.573 63.060 1.00 0.00 C ATOM 219 C LEU A 18 46.626 121.009 62.523 1.00 0.00 C ATOM 220 O LEU A 18 46.700 121.968 63.264 1.00 0.00 O ATOM 221 CB LEU A 18 46.163 119.570 64.541 1.00 0.00 C ATOM 222 CG LEU A 18 46.174 118.139 65.091 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.875 118.164 66.598 1.00 0.00 C ATOM 224 CD2 LEU A 18 45.107 117.308 64.368 1.00 0.00 C ATOM 0 H LEU A 18 48.613 119.335 63.555 1.00 0.00 H new ATOM 0 HA LEU A 18 45.806 119.049 62.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.860 120.189 65.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.173 120.008 64.667 1.00 0.00 H new ATOM 0 HG LEU A 18 47.155 117.693 64.926 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.883 117.146 66.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.635 118.754 67.110 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.895 118.609 66.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.113 116.290 64.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.126 117.754 64.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 45.323 117.289 63.300 1.00 0.00 H new ATOM 236 N ALA A 19 46.589 121.137 61.225 1.00 0.00 N ATOM 237 CA ALA A 19 46.638 122.481 60.562 1.00 0.00 C ATOM 238 C ALA A 19 45.347 123.282 60.789 1.00 0.00 C ATOM 239 O ALA A 19 45.378 124.497 60.854 1.00 0.00 O ATOM 240 CB ALA A 19 46.771 122.161 59.070 1.00 0.00 C ATOM 0 H ALA A 19 46.525 120.351 60.578 1.00 0.00 H new ATOM 0 HA ALA A 19 47.453 123.086 60.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.815 123.090 58.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.683 121.589 58.901 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.910 121.577 58.745 1.00 0.00 H new ATOM 246 N HIS A 20 44.218 122.626 60.872 1.00 0.00 N ATOM 247 CA HIS A 20 42.930 123.375 61.051 1.00 0.00 C ATOM 248 C HIS A 20 42.836 124.028 62.437 1.00 0.00 C ATOM 249 O HIS A 20 42.141 125.013 62.609 1.00 0.00 O ATOM 250 CB HIS A 20 41.823 122.338 60.862 1.00 0.00 C ATOM 251 CG HIS A 20 40.505 123.039 60.681 1.00 0.00 C ATOM 252 ND1 HIS A 20 39.634 123.261 61.737 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.894 123.575 59.574 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.559 123.904 61.247 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.665 124.120 59.933 1.00 0.00 N ATOM 0 H HIS A 20 44.128 121.611 60.824 1.00 0.00 H new ATOM 0 HA HIS A 20 42.851 124.192 60.334 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.038 121.715 59.994 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.779 121.676 61.727 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.305 123.574 58.575 1.00 0.00 H new ATOM 0 HE1 HIS A 20 37.712 124.209 61.844 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.991 124.584 59.324 1.00 0.00 H new ATOM 263 N GLN A 21 43.512 123.497 63.424 1.00 51.13 N ATOM 264 CA GLN A 21 43.435 124.107 64.792 1.00 51.59 C ATOM 265 C GLN A 21 44.818 124.559 65.276 1.00 51.55 C ATOM 266 O GLN A 21 45.088 124.571 66.463 1.00 51.24 O ATOM 267 CB GLN A 21 42.885 122.998 65.697 1.00 52.27 C ATOM 268 CG GLN A 21 43.801 121.775 65.646 1.00 52.27 C ATOM 269 CD GLN A 21 43.384 120.779 66.729 1.00 52.27 C ATOM 270 OE1 GLN A 21 42.430 120.044 66.560 1.00 52.37 O ATOM 271 NE2 GLN A 21 44.062 120.720 67.841 1.00 51.79 N ATOM 0 H GLN A 21 44.110 122.674 63.346 1.00 51.13 H new ATOM 0 HA GLN A 21 42.803 124.995 64.799 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.806 123.360 66.722 1.00 52.27 H new ATOM 0 HB3 GLN A 21 41.880 122.723 65.378 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.744 121.306 64.664 1.00 52.27 H new ATOM 0 HG3 GLN A 21 44.838 122.077 65.795 1.00 52.27 H new ATOM 0 HE21 GLN A 21 44.862 121.336 67.984 1.00 51.79 H new ATOM 0 HE22 GLN A 21 43.792 120.058 68.568 1.00 51.79 H new ATOM 280 N SER A 22 45.694 124.931 64.374 1.00 52.26 N ATOM 281 CA SER A 22 47.057 125.380 64.797 1.00 52.76 C ATOM 282 C SER A 22 47.602 126.445 63.838 1.00 51.68 C ATOM 283 O SER A 22 47.282 126.457 62.664 1.00 52.15 O ATOM 284 CB SER A 22 47.922 124.120 64.750 1.00 53.63 C ATOM 285 OG SER A 22 48.302 123.853 63.405 1.00 55.19 O ATOM 0 H SER A 22 45.525 124.943 63.368 1.00 52.26 H new ATOM 0 HA SER A 22 47.046 125.833 65.788 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.809 124.252 65.370 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.371 123.273 65.158 1.00 53.63 H new ATOM 0 HG SER A 22 48.033 122.942 63.164 1.00 55.19 H new ATOM 291 N THR A 23 48.432 127.330 64.332 1.00 0.00 N ATOM 292 CA THR A 23 49.018 128.391 63.459 1.00 0.00 C ATOM 293 C THR A 23 50.545 128.230 63.417 1.00 0.00 C ATOM 294 O THR A 23 51.242 128.750 64.267 1.00 0.00 O ATOM 295 CB THR A 23 48.633 129.713 64.127 1.00 0.00 C ATOM 296 OG1 THR A 23 47.222 129.770 64.279 1.00 0.00 O ATOM 297 CG2 THR A 23 49.103 130.882 63.259 1.00 0.00 C ATOM 0 H THR A 23 48.730 127.362 65.307 1.00 0.00 H new ATOM 0 HA THR A 23 48.656 128.341 62.432 1.00 0.00 H new ATOM 0 HB THR A 23 49.108 129.778 65.106 1.00 0.00 H new ATOM 0 HG1 THR A 23 46.973 130.615 64.708 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.828 131.823 63.736 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.186 130.837 63.143 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.630 130.820 62.279 1.00 0.00 H new ATOM 305 N PRO A 24 51.013 127.496 62.432 1.00 49.88 N ATOM 306 CA PRO A 24 52.486 127.279 62.340 1.00 51.02 C ATOM 307 C PRO A 24 53.223 128.590 62.050 1.00 51.50 C ATOM 308 O PRO A 24 54.388 128.736 62.370 1.00 51.57 O ATOM 309 CB PRO A 24 52.644 126.308 61.173 1.00 51.23 C ATOM 310 CG PRO A 24 51.433 126.520 60.332 1.00 51.05 C ATOM 311 CD PRO A 24 50.323 126.919 61.264 1.00 49.44 C ATOM 0 HA PRO A 24 52.906 126.898 63.271 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.556 126.511 60.611 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.707 125.277 61.522 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.610 127.296 59.587 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.175 125.610 59.790 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.655 127.644 60.799 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.714 126.060 61.547 1.00 49.44 H new ATOM 319 N ASP A 25 52.559 129.537 61.438 1.00 0.00 N ATOM 320 CA ASP A 25 53.229 130.836 61.116 1.00 0.00 C ATOM 321 C ASP A 25 53.548 131.618 62.397 1.00 0.00 C ATOM 322 O ASP A 25 54.428 132.459 62.409 1.00 0.00 O ATOM 323 CB ASP A 25 52.239 131.605 60.238 1.00 0.00 C ATOM 324 CG ASP A 25 52.928 132.838 59.651 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.207 133.753 60.408 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.164 132.847 58.454 1.00 0.00 O ATOM 0 H ASP A 25 51.584 129.469 61.147 1.00 0.00 H new ATOM 0 HA ASP A 25 54.179 130.681 60.605 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.873 130.963 59.436 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.372 131.905 60.826 1.00 0.00 H new ATOM 331 N GLU A 26 52.843 131.354 63.470 1.00 0.00 N ATOM 332 CA GLU A 26 53.112 132.093 64.743 1.00 0.00 C ATOM 333 C GLU A 26 53.831 131.190 65.753 1.00 0.00 C ATOM 334 O GLU A 26 53.772 131.417 66.948 1.00 0.00 O ATOM 335 CB GLU A 26 51.731 132.488 65.269 1.00 0.00 C ATOM 336 CG GLU A 26 51.128 133.568 64.364 1.00 0.00 C ATOM 337 CD GLU A 26 49.741 133.975 64.880 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.149 133.205 65.621 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.292 135.050 64.517 1.00 0.00 O ATOM 0 H GLU A 26 52.096 130.662 63.520 1.00 0.00 H new ATOM 0 HA GLU A 26 53.756 132.958 64.584 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.078 131.616 65.297 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.812 132.859 66.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.784 134.438 64.336 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.050 133.195 63.343 1.00 0.00 H new ATOM 346 N GLY A 27 54.507 130.171 65.284 1.00 0.00 N ATOM 347 CA GLY A 27 55.232 129.250 66.213 1.00 0.00 C ATOM 348 C GLY A 27 54.221 128.444 67.031 1.00 0.00 C ATOM 349 O GLY A 27 54.482 128.061 68.156 1.00 0.00 O ATOM 0 H GLY A 27 54.588 129.937 64.295 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.875 128.577 65.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 55.878 129.823 66.878 1.00 0.00 H new ATOM 353 N ARG A 28 53.069 128.184 66.470 1.00 0.00 N ATOM 354 CA ARG A 28 52.029 127.399 67.200 1.00 0.00 C ATOM 355 C ARG A 28 51.675 126.137 66.411 1.00 0.00 C ATOM 356 O ARG A 28 50.804 126.156 65.561 1.00 0.00 O ATOM 357 CB ARG A 28 50.821 128.332 67.296 1.00 0.00 C ATOM 358 CG ARG A 28 49.782 127.725 68.241 1.00 0.00 C ATOM 359 CD ARG A 28 48.572 128.657 68.338 1.00 0.00 C ATOM 360 NE ARG A 28 47.635 127.975 69.273 1.00 0.00 N ATOM 361 CZ ARG A 28 46.347 128.087 69.104 1.00 0.00 C ATOM 362 NH1 ARG A 28 45.807 127.756 67.962 1.00 0.00 N ATOM 363 NH2 ARG A 28 45.596 128.530 70.075 1.00 0.00 N ATOM 0 H ARG A 28 52.802 128.483 65.532 1.00 0.00 H new ATOM 0 HA ARG A 28 52.368 127.074 68.184 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.132 129.311 67.661 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.386 128.483 66.308 1.00 0.00 H new ATOM 0 HG2 ARG A 28 49.472 126.746 67.876 1.00 0.00 H new ATOM 0 HG3 ARG A 28 50.218 127.574 69.229 1.00 0.00 H new ATOM 0 HD2 ARG A 28 48.859 129.639 68.714 1.00 0.00 H new ATOM 0 HD3 ARG A 28 48.113 128.811 67.361 1.00 0.00 H new ATOM 0 HE ARG A 28 48.001 127.420 70.046 1.00 0.00 H new ATOM 0 HH11 ARG A 28 46.393 127.410 67.202 1.00 0.00 H new ATOM 0 HH12 ARG A 28 44.799 127.844 67.830 1.00 0.00 H new ATOM 0 HH21 ARG A 28 46.016 128.789 70.967 1.00 0.00 H new ATOM 0 HH22 ARG A 28 44.589 128.617 69.941 1.00 0.00 H new ATOM 377 N TYR A 29 52.331 125.038 66.692 1.00 46.07 N ATOM 378 CA TYR A 29 52.019 123.770 65.964 1.00 43.41 C ATOM 379 C TYR A 29 51.237 122.835 66.891 1.00 41.37 C ATOM 380 O TYR A 29 51.599 122.649 68.038 1.00 39.95 O ATOM 381 CB TYR A 29 53.375 123.154 65.600 1.00 43.56 C ATOM 382 CG TYR A 29 54.192 124.137 64.791 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.002 125.073 65.445 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.142 124.110 63.393 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.761 125.983 64.700 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.901 125.020 62.650 1.00 42.98 C ATOM 387 CZ TYR A 29 55.710 125.956 63.302 1.00 43.35 C ATOM 388 OH TYR A 29 56.459 126.853 62.568 1.00 43.13 O ATOM 0 H TYR A 29 53.068 124.965 67.393 1.00 46.07 H new ATOM 0 HA TYR A 29 51.413 123.941 65.074 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.914 122.881 66.507 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.225 122.237 65.030 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.041 125.093 66.524 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.518 123.387 62.888 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.386 126.706 65.204 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.862 125.000 61.571 1.00 42.98 H new ATOM 0 HH TYR A 29 55.916 127.643 62.364 1.00 43.13 H new ATOM 398 N ALA A 30 50.163 122.262 66.409 1.00 0.00 N ATOM 399 CA ALA A 30 49.355 121.356 67.283 1.00 0.00 C ATOM 400 C ALA A 30 49.379 119.914 66.768 1.00 0.00 C ATOM 401 O ALA A 30 48.943 119.632 65.668 1.00 0.00 O ATOM 402 CB ALA A 30 47.936 121.922 67.239 1.00 0.00 C ATOM 0 H ALA A 30 49.813 122.380 65.458 1.00 0.00 H new ATOM 0 HA ALA A 30 49.753 121.319 68.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.281 121.310 67.858 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.940 122.945 67.616 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.574 121.916 66.211 1.00 0.00 H new ATOM 408 N PHE A 31 49.870 118.999 67.565 1.00 36.58 N ATOM 409 CA PHE A 31 49.904 117.566 67.144 1.00 36.29 C ATOM 410 C PHE A 31 49.006 116.741 68.068 1.00 35.25 C ATOM 411 O PHE A 31 49.127 116.811 69.277 1.00 34.09 O ATOM 412 CB PHE A 31 51.360 117.120 67.301 1.00 36.39 C ATOM 413 CG PHE A 31 52.221 117.769 66.245 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.780 119.031 66.475 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.464 117.105 65.037 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.583 119.628 65.497 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.266 117.702 64.059 1.00 37.25 C ATOM 418 CZ PHE A 31 53.827 118.965 64.289 1.00 36.45 C ATOM 0 H PHE A 31 50.250 119.184 68.493 1.00 36.58 H new ATOM 0 HA PHE A 31 49.551 117.433 66.121 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.725 117.387 68.293 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.427 116.035 67.219 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.592 119.544 67.407 1.00 38.88 H new ATOM 0 HD2 PHE A 31 52.032 116.131 64.860 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.015 120.602 65.675 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.453 117.190 63.127 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.447 119.426 63.535 1.00 36.45 H new ATOM 428 N ALA A 32 48.120 115.947 67.521 1.00 34.06 N ATOM 429 CA ALA A 32 47.231 115.102 68.374 1.00 32.35 C ATOM 430 C ALA A 32 47.540 113.630 68.108 1.00 31.25 C ATOM 431 O ALA A 32 47.618 113.213 66.968 1.00 31.96 O ATOM 432 CB ALA A 32 45.808 115.438 67.929 1.00 32.65 C ATOM 0 H ALA A 32 47.974 115.848 66.516 1.00 34.06 H new ATOM 0 HA ALA A 32 47.369 115.285 69.440 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.097 114.854 68.513 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.619 116.500 68.085 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.692 115.200 66.872 1.00 32.65 H new ATOM 438 N TYR A 33 47.730 112.842 69.136 1.00 29.03 N ATOM 439 CA TYR A 33 48.048 111.398 68.903 1.00 27.15 C ATOM 440 C TYR A 33 47.092 110.493 69.682 1.00 26.72 C ATOM 441 O TYR A 33 46.650 110.827 70.765 1.00 28.24 O ATOM 442 CB TYR A 33 49.498 111.215 69.369 1.00 26.09 C ATOM 443 CG TYR A 33 49.627 111.502 70.846 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.412 110.478 71.775 1.00 25.37 C ATOM 445 CD2 TYR A 33 49.975 112.783 71.284 1.00 24.81 C ATOM 446 CE1 TYR A 33 49.546 110.735 73.144 1.00 25.85 C ATOM 447 CE2 TYR A 33 50.106 113.041 72.653 1.00 25.46 C ATOM 448 CZ TYR A 33 49.893 112.018 73.583 1.00 27.60 C ATOM 449 OH TYR A 33 50.028 112.271 74.933 1.00 28.81 O ATOM 0 H TYR A 33 47.680 113.129 70.113 1.00 29.03 H new ATOM 0 HA TYR A 33 47.931 111.123 67.855 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.825 110.196 69.162 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.152 111.881 68.806 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.143 109.489 71.435 1.00 25.37 H new ATOM 0 HD2 TYR A 33 50.143 113.573 70.567 1.00 24.81 H new ATOM 0 HE1 TYR A 33 49.382 109.944 73.861 1.00 25.85 H new ATOM 0 HE2 TYR A 33 50.372 114.031 72.992 1.00 25.46 H new ATOM 0 HH TYR A 33 49.144 112.265 75.357 1.00 28.81 H new ATOM 459 N SER A 34 46.779 109.345 69.137 1.00 0.00 N ATOM 460 CA SER A 34 45.859 108.404 69.838 1.00 0.00 C ATOM 461 C SER A 34 46.678 107.309 70.522 1.00 0.00 C ATOM 462 O SER A 34 47.659 106.834 69.987 1.00 0.00 O ATOM 463 CB SER A 34 44.976 107.815 68.740 1.00 0.00 C ATOM 464 OG SER A 34 44.094 108.819 68.257 1.00 0.00 O ATOM 0 H SER A 34 47.123 109.019 68.234 1.00 0.00 H new ATOM 0 HA SER A 34 45.262 108.893 70.608 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.593 107.435 67.926 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.406 106.971 69.129 1.00 0.00 H new ATOM 0 HG SER A 34 43.527 108.444 67.551 1.00 0.00 H new ATOM 470 N ILE A 35 46.290 106.925 71.708 1.00 0.00 N ATOM 471 CA ILE A 35 47.048 105.877 72.457 1.00 0.00 C ATOM 472 C ILE A 35 46.318 104.529 72.434 1.00 0.00 C ATOM 473 O ILE A 35 45.135 104.438 72.698 1.00 0.00 O ATOM 474 CB ILE A 35 47.111 106.430 73.890 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.920 107.739 73.897 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.773 105.412 74.832 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.353 107.486 73.403 1.00 0.00 C ATOM 0 H ILE A 35 45.474 107.295 72.196 1.00 0.00 H new ATOM 0 HA ILE A 35 48.030 105.688 72.023 1.00 0.00 H new ATOM 0 HB ILE A 35 46.096 106.620 74.239 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.434 108.478 73.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.944 108.154 74.905 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.809 105.821 75.842 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.194 104.489 74.835 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.786 105.204 74.489 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.912 108.422 73.414 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.841 106.764 74.057 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.323 107.093 72.387 1.00 0.00 H new ATOM 489 N ARG A 36 47.043 103.486 72.122 1.00 25.30 N ATOM 490 CA ARG A 36 46.443 102.122 72.075 1.00 25.64 C ATOM 491 C ARG A 36 47.208 101.190 73.018 1.00 23.79 C ATOM 492 O ARG A 36 48.246 100.656 72.678 1.00 25.11 O ATOM 493 CB ARG A 36 46.595 101.665 70.623 1.00 28.66 C ATOM 494 CG ARG A 36 45.632 102.457 69.735 1.00 34.24 C ATOM 495 CD ARG A 36 45.784 101.999 68.282 1.00 37.45 C ATOM 496 NE ARG A 36 44.813 102.825 67.508 1.00 40.12 N ATOM 497 CZ ARG A 36 44.878 102.857 66.205 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.854 103.493 65.617 1.00 39.81 N ATOM 499 NH2 ARG A 36 43.966 102.254 65.492 1.00 39.07 N ATOM 0 H ARG A 36 48.037 103.523 71.895 1.00 25.30 H new ATOM 0 HA ARG A 36 45.399 102.114 72.389 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.622 101.815 70.289 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.387 100.598 70.543 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.605 102.307 70.069 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.841 103.524 69.815 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.803 102.152 67.926 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.566 100.936 68.179 1.00 37.45 H new ATOM 0 HE ARG A 36 44.099 103.365 67.997 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.565 103.965 66.176 1.00 39.81 H new ATOM 0 HH12 ARG A 36 45.906 103.519 64.599 1.00 39.81 H new ATOM 0 HH21 ARG A 36 43.203 101.758 65.953 1.00 39.07 H new ATOM 0 HH22 ARG A 36 44.016 102.279 64.474 1.00 39.07 H new ATOM 513 N ILE A 37 46.696 101.004 74.203 1.00 20.73 N ATOM 514 CA ILE A 37 47.366 100.120 75.205 1.00 18.17 C ATOM 515 C ILE A 37 46.835 98.686 75.096 1.00 17.71 C ATOM 516 O ILE A 37 45.673 98.428 75.332 1.00 15.34 O ATOM 517 CB ILE A 37 47.001 100.720 76.569 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.474 102.176 76.640 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.686 99.925 77.682 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.875 102.846 77.878 1.00 16.07 C ATOM 0 H ILE A 37 45.829 101.433 74.527 1.00 20.73 H new ATOM 0 HA ILE A 37 48.444 100.071 75.051 1.00 18.17 H new ATOM 0 HB ILE A 37 45.919 100.677 76.694 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.562 102.214 76.683 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.171 102.712 75.741 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.425 100.354 78.649 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.356 98.887 77.644 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.767 99.967 77.547 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.211 103.882 77.930 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.787 102.820 77.815 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.200 102.314 78.772 1.00 16.07 H new ATOM 532 N GLN A 38 47.690 97.752 74.761 1.00 0.00 N ATOM 533 CA GLN A 38 47.254 96.326 74.657 1.00 0.00 C ATOM 534 C GLN A 38 48.014 95.481 75.685 1.00 0.00 C ATOM 535 O GLN A 38 49.208 95.629 75.867 1.00 0.00 O ATOM 536 CB GLN A 38 47.591 95.895 73.230 1.00 0.00 C ATOM 537 CG GLN A 38 47.126 94.455 73.006 1.00 0.00 C ATOM 538 CD GLN A 38 47.255 94.094 71.523 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.344 94.962 70.676 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.269 92.838 71.170 1.00 0.00 N ATOM 0 H GLN A 38 48.675 97.917 74.554 1.00 0.00 H new ATOM 0 HA GLN A 38 46.191 96.199 74.861 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.107 96.560 72.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.665 95.972 73.060 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.724 93.772 73.610 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.091 94.343 73.329 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.195 92.108 71.879 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.354 92.586 70.185 1.00 0.00 H new ATOM 549 N ASN A 39 47.316 94.606 76.367 1.00 15.86 N ATOM 550 CA ASN A 39 47.978 93.755 77.402 1.00 17.88 C ATOM 551 C ASN A 39 48.456 92.433 76.792 1.00 18.37 C ATOM 552 O ASN A 39 47.662 91.634 76.332 1.00 18.69 O ATOM 553 CB ASN A 39 46.912 93.506 78.469 1.00 19.10 C ATOM 554 CG ASN A 39 47.543 92.796 79.667 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.520 92.088 79.522 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.024 92.958 80.854 1.00 19.13 N ATOM 0 H ASN A 39 46.316 94.445 76.251 1.00 15.86 H new ATOM 0 HA ASN A 39 48.860 94.241 77.820 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.471 94.451 78.785 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.105 92.900 78.057 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.439 92.490 81.660 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.204 93.552 80.975 1.00 19.13 H new ATOM 563 N ALA A 40 49.741 92.190 76.801 1.00 0.00 N ATOM 564 CA ALA A 40 50.272 90.909 76.242 1.00 0.00 C ATOM 565 C ALA A 40 50.898 90.049 77.354 1.00 0.00 C ATOM 566 O ALA A 40 51.528 89.044 77.080 1.00 0.00 O ATOM 567 CB ALA A 40 51.326 91.322 75.216 1.00 0.00 C ATOM 0 H ALA A 40 50.448 92.825 77.172 1.00 0.00 H new ATOM 0 HA ALA A 40 49.484 90.306 75.791 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.761 90.431 74.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.861 91.933 74.442 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.109 91.897 75.710 1.00 0.00 H new ATOM 573 N GLY A 41 50.722 90.425 78.601 1.00 27.60 N ATOM 574 CA GLY A 41 51.300 89.615 79.716 1.00 28.62 C ATOM 575 C GLY A 41 50.336 88.480 80.063 1.00 29.10 C ATOM 576 O GLY A 41 49.300 88.326 79.441 1.00 28.18 O ATOM 0 H GLY A 41 50.205 91.255 78.891 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.268 89.209 79.423 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.469 90.245 80.589 1.00 28.62 H new ATOM 580 N ALA A 42 50.665 87.684 81.049 1.00 0.00 N ATOM 581 CA ALA A 42 49.765 86.557 81.435 1.00 0.00 C ATOM 582 C ALA A 42 48.850 86.986 82.581 1.00 0.00 C ATOM 583 O ALA A 42 47.725 86.541 82.698 1.00 0.00 O ATOM 584 CB ALA A 42 50.704 85.438 81.888 1.00 0.00 C ATOM 0 H ALA A 42 51.518 87.766 81.603 1.00 0.00 H new ATOM 0 HA ALA A 42 49.121 86.240 80.614 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.117 84.570 82.189 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.364 85.162 81.066 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.301 85.783 82.732 1.00 0.00 H new ATOM 590 N VAL A 43 49.340 87.853 83.422 1.00 0.00 N ATOM 591 CA VAL A 43 48.526 88.336 84.580 1.00 0.00 C ATOM 592 C VAL A 43 48.026 89.763 84.302 1.00 0.00 C ATOM 593 O VAL A 43 48.741 90.566 83.737 1.00 0.00 O ATOM 594 CB VAL A 43 49.494 88.304 85.770 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.806 88.835 87.029 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.948 86.862 86.015 1.00 0.00 C ATOM 0 H VAL A 43 50.276 88.253 83.359 1.00 0.00 H new ATOM 0 HA VAL A 43 47.641 87.728 84.767 1.00 0.00 H new ATOM 0 HB VAL A 43 50.354 88.933 85.542 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.505 88.806 87.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.483 89.862 86.861 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.939 88.215 87.259 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.636 86.836 86.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.080 86.240 86.234 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.451 86.483 85.126 1.00 0.00 H new ATOM 606 N PRO A 44 46.797 90.030 84.702 1.00 21.08 N ATOM 607 CA PRO A 44 46.235 91.398 84.454 1.00 21.01 C ATOM 608 C PRO A 44 47.152 92.494 85.014 1.00 21.95 C ATOM 609 O PRO A 44 47.825 92.311 86.014 1.00 21.40 O ATOM 610 CB PRO A 44 44.890 91.385 85.177 1.00 20.53 C ATOM 611 CG PRO A 44 45.039 90.333 86.216 1.00 18.90 C ATOM 612 CD PRO A 44 45.897 89.270 85.593 1.00 19.89 C ATOM 0 HA PRO A 44 46.138 91.617 83.391 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.669 92.355 85.622 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.073 91.155 84.493 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.504 90.734 87.116 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.069 89.932 86.510 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.455 88.712 86.346 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.300 88.547 85.038 1.00 19.89 H new ATOM 620 N ALA A 45 47.183 93.627 84.358 1.00 20.91 N ATOM 621 CA ALA A 45 48.055 94.745 84.818 1.00 19.47 C ATOM 622 C ALA A 45 47.323 96.090 84.734 1.00 19.21 C ATOM 623 O ALA A 45 46.450 96.295 83.909 1.00 19.53 O ATOM 624 CB ALA A 45 49.238 94.733 83.851 1.00 18.37 C ATOM 0 H ALA A 45 46.638 93.824 83.519 1.00 20.91 H new ATOM 0 HA ALA A 45 48.356 94.621 85.858 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.934 95.529 84.117 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.747 93.771 83.910 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.878 94.891 82.834 1.00 18.37 H new ATOM 630 N ARG A 46 47.687 97.003 85.593 1.00 0.00 N ATOM 631 CA ARG A 46 47.043 98.349 85.602 1.00 0.00 C ATOM 632 C ARG A 46 48.120 99.432 85.511 1.00 0.00 C ATOM 633 O ARG A 46 49.257 99.216 85.888 1.00 0.00 O ATOM 634 CB ARG A 46 46.317 98.422 86.946 1.00 0.00 C ATOM 635 CG ARG A 46 45.405 99.648 86.981 1.00 0.00 C ATOM 636 CD ARG A 46 45.215 100.099 88.432 1.00 0.00 C ATOM 637 NE ARG A 46 43.820 100.616 88.495 1.00 0.00 N ATOM 638 CZ ARG A 46 43.070 100.343 89.527 1.00 0.00 C ATOM 639 NH1 ARG A 46 43.219 101.009 90.639 1.00 0.00 N ATOM 640 NH2 ARG A 46 42.167 99.402 89.446 1.00 0.00 N ATOM 0 H ARG A 46 48.412 96.872 86.298 1.00 0.00 H new ATOM 0 HA ARG A 46 46.362 98.500 84.764 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.730 97.517 87.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.042 98.475 87.758 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.840 100.455 86.392 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.440 99.410 86.533 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.361 99.270 89.125 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.935 100.871 88.703 1.00 0.00 H new ATOM 0 HE ARG A 46 43.451 101.183 87.732 1.00 0.00 H new ATOM 0 HH11 ARG A 46 43.923 101.745 90.703 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.632 100.794 91.445 1.00 0.00 H new ATOM 0 HH21 ARG A 46 42.049 98.882 88.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 41.580 99.188 90.252 1.00 0.00 H new ATOM 654 N LEU A 47 47.775 100.592 85.010 1.00 0.00 N ATOM 655 CA LEU A 47 48.786 101.687 84.893 1.00 0.00 C ATOM 656 C LEU A 47 48.646 102.648 86.074 1.00 0.00 C ATOM 657 O LEU A 47 47.615 103.267 86.258 1.00 0.00 O ATOM 658 CB LEU A 47 48.455 102.399 83.580 1.00 0.00 C ATOM 659 CG LEU A 47 49.623 103.302 83.180 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.526 103.637 81.692 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.570 104.597 83.996 1.00 0.00 C ATOM 0 H LEU A 47 46.840 100.827 84.678 1.00 0.00 H new ATOM 0 HA LEU A 47 49.809 101.311 84.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.262 101.667 82.796 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.547 102.991 83.694 1.00 0.00 H new ATOM 0 HG LEU A 47 50.562 102.785 83.375 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.359 104.280 81.409 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.564 102.717 81.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.586 104.153 81.496 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.402 105.241 83.711 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.629 105.112 83.801 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.641 104.361 85.058 1.00 0.00 H new ATOM 673 N VAL A 48 49.673 102.770 86.879 1.00 0.00 N ATOM 674 CA VAL A 48 49.593 103.686 88.056 1.00 0.00 C ATOM 675 C VAL A 48 50.324 105.003 87.769 1.00 0.00 C ATOM 676 O VAL A 48 50.007 106.023 88.351 1.00 0.00 O ATOM 677 CB VAL A 48 50.266 102.929 89.208 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.241 103.787 90.477 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.514 101.622 89.475 1.00 0.00 C ATOM 0 H VAL A 48 50.559 102.277 86.772 1.00 0.00 H new ATOM 0 HA VAL A 48 48.563 103.950 88.294 1.00 0.00 H new ATOM 0 HB VAL A 48 51.298 102.711 88.933 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.720 103.245 91.292 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.777 104.719 90.297 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.208 104.008 90.746 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.994 101.087 90.294 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.481 101.845 89.744 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.530 101.003 88.578 1.00 0.00 H new ATOM 689 N ALA A 49 51.308 104.993 86.896 1.00 0.00 N ATOM 690 CA ALA A 49 52.047 106.266 86.620 1.00 0.00 C ATOM 691 C ALA A 49 52.406 106.416 85.137 1.00 0.00 C ATOM 692 O ALA A 49 52.395 105.470 84.374 1.00 0.00 O ATOM 693 CB ALA A 49 53.315 106.175 87.469 1.00 0.00 C ATOM 0 H ALA A 49 51.625 104.176 86.374 1.00 0.00 H new ATOM 0 HA ALA A 49 51.436 107.135 86.864 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.915 107.073 87.324 1.00 0.00 H new ATOM 0 HB2 ALA A 49 53.043 106.086 88.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.892 105.300 87.169 1.00 0.00 H new ATOM 699 N ARG A 50 52.730 107.618 84.743 1.00 18.13 N ATOM 700 CA ARG A 50 53.108 107.898 83.327 1.00 20.89 C ATOM 701 C ARG A 50 54.230 108.944 83.276 1.00 22.46 C ATOM 702 O ARG A 50 54.231 109.908 84.019 1.00 23.35 O ATOM 703 CB ARG A 50 51.825 108.432 82.671 1.00 21.09 C ATOM 704 CG ARG A 50 51.393 109.746 83.331 1.00 22.20 C ATOM 705 CD ARG A 50 49.966 110.089 82.898 1.00 26.75 C ATOM 706 NE ARG A 50 50.107 110.665 81.533 1.00 26.68 N ATOM 707 CZ ARG A 50 49.146 110.521 80.661 1.00 28.58 C ATOM 708 NH1 ARG A 50 49.095 109.449 79.919 1.00 29.05 N ATOM 709 NH2 ARG A 50 48.237 111.448 80.531 1.00 27.75 N ATOM 0 H ARG A 50 52.749 108.434 85.355 1.00 18.13 H new ATOM 0 HA ARG A 50 53.484 107.013 82.813 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.993 108.591 81.606 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.028 107.693 82.761 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.443 109.654 84.416 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.073 110.549 83.047 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.332 109.202 82.889 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.506 110.802 83.582 1.00 26.75 H new ATOM 0 HE ARG A 50 50.955 111.172 81.279 1.00 26.68 H new ATOM 0 HH11 ARG A 50 49.806 108.724 80.020 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.345 109.336 79.238 1.00 29.05 H new ATOM 0 HH21 ARG A 50 48.277 112.286 81.111 1.00 27.75 H new ATOM 0 HH22 ARG A 50 47.487 111.335 79.849 1.00 27.75 H new ATOM 723 N HIS A 51 55.182 108.748 82.400 1.00 22.89 N ATOM 724 CA HIS A 51 56.320 109.710 82.281 1.00 23.99 C ATOM 725 C HIS A 51 56.724 109.857 80.811 1.00 24.58 C ATOM 726 O HIS A 51 57.200 108.926 80.188 1.00 24.14 O ATOM 727 CB HIS A 51 57.452 109.092 83.108 1.00 22.92 C ATOM 728 CG HIS A 51 58.667 109.980 83.058 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.939 109.510 83.345 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.819 111.311 82.757 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.793 110.541 83.211 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.162 111.663 82.854 1.00 25.48 N ATOM 0 H HIS A 51 55.220 107.957 81.757 1.00 22.89 H new ATOM 0 HA HIS A 51 56.067 110.708 82.638 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.129 108.960 84.141 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.698 108.103 82.722 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.183 108.556 83.610 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.018 111.983 82.486 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.859 110.470 83.372 1.00 26.28 H new ATOM 740 N TRP A 52 56.530 111.027 80.257 1.00 24.73 N ATOM 741 CA TRP A 52 56.887 111.264 78.827 1.00 24.73 C ATOM 742 C TRP A 52 58.205 112.040 78.714 1.00 25.24 C ATOM 743 O TRP A 52 58.418 113.023 79.399 1.00 25.25 O ATOM 744 CB TRP A 52 55.746 112.126 78.285 1.00 22.37 C ATOM 745 CG TRP A 52 54.524 111.293 78.072 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.414 111.333 78.845 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.267 110.302 77.036 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.491 110.433 78.348 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.969 109.775 77.233 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.023 109.818 75.954 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.441 108.800 76.387 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.494 108.837 75.099 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.204 108.330 75.316 1.00 18.33 C ATOM 0 H TRP A 52 56.136 111.835 80.739 1.00 24.73 H new ATOM 0 HA TRP A 52 57.016 110.328 78.283 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.527 112.933 78.984 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.046 112.590 77.346 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.273 111.965 79.709 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.569 110.274 78.755 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.017 110.203 75.779 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.448 108.411 76.559 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.083 108.471 74.271 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.801 107.577 74.655 1.00 18.33 H new ATOM 764 N GLN A 53 59.081 111.610 77.845 1.00 0.00 N ATOM 765 CA GLN A 53 60.385 112.316 77.661 1.00 0.00 C ATOM 766 C GLN A 53 60.448 112.890 76.243 1.00 0.00 C ATOM 767 O GLN A 53 61.059 112.317 75.360 1.00 0.00 O ATOM 768 CB GLN A 53 61.450 111.234 77.851 1.00 0.00 C ATOM 769 CG GLN A 53 62.840 111.877 77.835 1.00 0.00 C ATOM 770 CD GLN A 53 63.895 110.834 78.212 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.585 109.829 78.821 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.140 111.032 77.872 1.00 0.00 N ATOM 0 H GLN A 53 58.949 110.793 77.249 1.00 0.00 H new ATOM 0 HA GLN A 53 60.524 113.142 78.358 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.290 110.713 78.795 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.373 110.490 77.059 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.053 112.282 76.846 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.873 112.712 78.535 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.401 111.875 77.361 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.851 110.343 78.118 1.00 0.00 H new ATOM 781 N ILE A 54 59.794 114.002 76.013 1.00 28.56 N ATOM 782 CA ILE A 54 59.782 114.605 74.642 1.00 31.69 C ATOM 783 C ILE A 54 61.036 115.464 74.385 1.00 31.35 C ATOM 784 O ILE A 54 61.371 116.346 75.150 1.00 31.20 O ATOM 785 CB ILE A 54 58.471 115.446 74.558 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.595 116.771 75.334 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.283 114.651 75.123 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.356 117.633 75.072 1.00 36.11 C ATOM 0 H ILE A 54 59.267 114.520 76.716 1.00 28.56 H new ATOM 0 HA ILE A 54 59.803 113.835 73.871 1.00 31.69 H new ATOM 0 HB ILE A 54 58.302 115.669 73.505 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.694 116.572 76.401 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.494 117.304 75.024 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.377 115.254 75.056 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.152 113.734 74.548 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.476 114.401 76.166 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.443 118.571 75.621 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.278 117.843 74.005 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.465 117.100 75.403 1.00 36.11 H new ATOM 800 N THR A 55 61.709 115.215 73.291 1.00 32.39 N ATOM 801 CA THR A 55 62.918 116.022 72.937 1.00 32.79 C ATOM 802 C THR A 55 62.671 116.698 71.591 1.00 33.98 C ATOM 803 O THR A 55 62.231 116.075 70.641 1.00 33.62 O ATOM 804 CB THR A 55 64.091 115.042 72.865 1.00 32.44 C ATOM 805 OG1 THR A 55 63.994 114.110 73.934 1.00 30.14 O ATOM 806 CG2 THR A 55 65.409 115.810 72.972 1.00 31.51 C ATOM 0 H THR A 55 61.472 114.482 72.622 1.00 32.39 H new ATOM 0 HA THR A 55 63.133 116.801 73.669 1.00 32.79 H new ATOM 0 HB THR A 55 64.061 114.509 71.915 1.00 32.44 H new ATOM 0 HG1 THR A 55 63.788 114.586 74.765 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.243 115.110 72.921 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.482 116.523 72.151 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.442 116.345 73.921 1.00 31.51 H new ATOM 814 N ASP A 56 62.926 117.982 71.514 1.00 36.19 N ATOM 815 CA ASP A 56 62.679 118.721 70.244 1.00 38.66 C ATOM 816 C ASP A 56 63.907 118.675 69.328 1.00 38.50 C ATOM 817 O ASP A 56 64.974 118.239 69.714 1.00 37.75 O ATOM 818 CB ASP A 56 62.364 120.157 70.669 1.00 41.21 C ATOM 819 CG ASP A 56 61.750 120.917 69.493 1.00 42.74 C ATOM 820 OD1 ASP A 56 60.943 120.331 68.789 1.00 43.86 O ATOM 821 OD2 ASP A 56 62.095 122.074 69.316 1.00 45.04 O ATOM 0 H ASP A 56 63.295 118.547 72.279 1.00 36.19 H new ATOM 0 HA ASP A 56 61.863 118.279 69.673 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.674 120.154 71.513 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.274 120.656 71.002 1.00 41.21 H new ATOM 826 N GLY A 57 63.742 119.114 68.106 1.00 37.51 N ATOM 827 CA GLY A 57 64.866 119.100 67.119 1.00 38.01 C ATOM 828 C GLY A 57 66.041 119.991 67.563 1.00 39.47 C ATOM 829 O GLY A 57 67.087 119.972 66.941 1.00 38.99 O ATOM 0 H GLY A 57 62.864 119.487 67.745 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.218 118.077 66.986 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.501 119.440 66.150 1.00 38.01 H new ATOM 833 N ASN A 58 65.906 120.753 68.630 1.00 0.00 N ATOM 834 CA ASN A 58 67.054 121.604 69.080 1.00 0.00 C ATOM 835 C ASN A 58 67.778 120.950 70.274 1.00 0.00 C ATOM 836 O ASN A 58 68.664 121.540 70.863 1.00 0.00 O ATOM 837 CB ASN A 58 66.438 122.949 69.476 1.00 0.00 C ATOM 838 CG ASN A 58 67.227 124.089 68.828 1.00 0.00 C ATOM 839 OD1 ASN A 58 68.341 124.372 69.222 1.00 0.00 O ATOM 840 ND2 ASN A 58 66.694 124.759 67.844 1.00 0.00 N ATOM 0 H ASN A 58 65.062 120.820 69.199 1.00 0.00 H new ATOM 0 HA ASN A 58 67.802 121.726 68.296 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.396 122.990 69.160 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.447 123.059 70.560 1.00 0.00 H new ATOM 0 HD21 ASN A 58 67.212 125.520 67.406 1.00 0.00 H new ATOM 0 HD22 ASN A 58 65.759 124.522 67.513 1.00 0.00 H new ATOM 847 N GLY A 59 67.423 119.732 70.619 1.00 0.00 N ATOM 848 CA GLY A 59 68.105 119.037 71.752 1.00 0.00 C ATOM 849 C GLY A 59 67.339 119.250 73.061 1.00 0.00 C ATOM 850 O GLY A 59 67.348 118.398 73.931 1.00 0.00 O ATOM 0 H GLY A 59 66.689 119.192 70.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.180 117.971 71.538 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.123 119.413 71.856 1.00 0.00 H new ATOM 854 N ARG A 60 66.683 120.374 73.218 1.00 49.10 N ATOM 855 CA ARG A 60 65.926 120.626 74.486 1.00 50.05 C ATOM 856 C ARG A 60 64.820 119.577 74.647 1.00 49.79 C ATOM 857 O ARG A 60 64.200 119.168 73.683 1.00 48.27 O ATOM 858 CB ARG A 60 65.320 122.029 74.328 1.00 52.38 C ATOM 859 CG ARG A 60 66.059 123.026 75.237 1.00 55.08 C ATOM 860 CD ARG A 60 66.902 123.980 74.386 1.00 57.97 C ATOM 861 NE ARG A 60 65.925 124.685 73.509 1.00 60.72 N ATOM 862 CZ ARG A 60 66.327 125.247 72.401 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.436 125.935 72.384 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.619 125.121 71.312 1.00 61.80 N ATOM 0 H ARG A 60 66.638 121.124 72.528 1.00 49.10 H new ATOM 0 HA ARG A 60 66.564 120.563 75.368 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.391 122.350 73.289 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.261 122.008 74.583 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.341 123.592 75.830 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.698 122.488 75.938 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.451 124.685 75.011 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.639 123.435 73.796 1.00 57.97 H new ATOM 0 HE ARG A 60 64.941 124.729 73.775 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.988 126.033 73.236 1.00 62.78 H new ATOM 0 HH12 ARG A 60 67.750 126.374 71.519 1.00 62.78 H new ATOM 0 HH21 ARG A 60 64.752 124.584 71.327 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.933 125.560 70.446 1.00 61.80 H new ATOM 878 N THR A 61 64.573 119.138 75.858 1.00 0.00 N ATOM 879 CA THR A 61 63.510 118.110 76.075 1.00 0.00 C ATOM 880 C THR A 61 62.647 118.474 77.288 1.00 0.00 C ATOM 881 O THR A 61 63.094 119.153 78.194 1.00 0.00 O ATOM 882 CB THR A 61 64.261 116.794 76.311 1.00 0.00 C ATOM 883 OG1 THR A 61 63.326 115.752 76.553 1.00 0.00 O ATOM 884 CG2 THR A 61 65.194 116.932 77.518 1.00 0.00 C ATOM 0 H THR A 61 65.059 119.446 76.700 1.00 0.00 H new ATOM 0 HA THR A 61 62.832 118.039 75.224 1.00 0.00 H new ATOM 0 HB THR A 61 64.853 116.558 75.427 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.438 116.031 76.246 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.723 115.993 77.678 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.915 117.728 77.331 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.608 117.174 78.405 1.00 0.00 H new ATOM 892 N GLU A 62 61.417 118.030 77.306 1.00 0.00 N ATOM 893 CA GLU A 62 60.517 118.350 78.454 1.00 0.00 C ATOM 894 C GLU A 62 60.018 117.056 79.106 1.00 0.00 C ATOM 895 O GLU A 62 59.422 116.213 78.463 1.00 0.00 O ATOM 896 CB GLU A 62 59.352 119.129 77.840 1.00 0.00 C ATOM 897 CG GLU A 62 58.383 119.560 78.946 1.00 0.00 C ATOM 898 CD GLU A 62 57.210 120.344 78.343 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.352 120.844 77.237 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.187 120.434 79.001 1.00 0.00 O ATOM 0 H GLU A 62 60.996 117.458 76.574 1.00 0.00 H new ATOM 0 HA GLU A 62 61.022 118.923 79.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.726 120.004 77.309 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.833 118.510 77.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.011 118.683 79.476 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.905 120.177 79.678 1.00 0.00 H new ATOM 907 N GLN A 63 60.264 116.901 80.381 1.00 0.00 N ATOM 908 CA GLN A 63 59.817 115.669 81.095 1.00 0.00 C ATOM 909 C GLN A 63 58.536 115.942 81.887 1.00 0.00 C ATOM 910 O GLN A 63 58.418 116.947 82.563 1.00 0.00 O ATOM 911 CB GLN A 63 60.965 115.343 82.052 1.00 0.00 C ATOM 912 CG GLN A 63 62.177 114.864 81.251 1.00 0.00 C ATOM 913 CD GLN A 63 63.325 114.538 82.209 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.109 113.979 83.266 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.545 114.867 81.881 1.00 0.00 N ATOM 0 H GLN A 63 60.758 117.579 80.961 1.00 0.00 H new ATOM 0 HA GLN A 63 59.597 114.852 80.408 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.227 116.225 82.636 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.656 114.573 82.759 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.915 113.982 80.667 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.487 115.634 80.544 1.00 0.00 H new ATOM 0 HE21 GLN A 63 64.726 115.336 80.994 1.00 0.00 H new ATOM 0 HE22 GLN A 63 65.318 114.655 82.512 1.00 0.00 H new ATOM 924 N VAL A 64 57.580 115.053 81.805 1.00 37.94 N ATOM 925 CA VAL A 64 56.301 115.252 82.551 1.00 37.05 C ATOM 926 C VAL A 64 55.977 114.006 83.380 1.00 36.89 C ATOM 927 O VAL A 64 56.011 112.893 82.896 1.00 36.32 O ATOM 928 CB VAL A 64 55.236 115.493 81.476 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.873 115.712 82.139 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.604 116.736 80.660 1.00 35.74 C ATOM 0 H VAL A 64 57.630 114.197 81.253 1.00 37.94 H new ATOM 0 HA VAL A 64 56.354 116.088 83.249 1.00 37.05 H new ATOM 0 HB VAL A 64 55.187 114.624 80.820 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.118 115.883 81.371 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.605 114.830 82.721 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.924 116.579 82.797 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.846 116.907 79.895 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.656 117.602 81.320 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.572 116.585 80.183 1.00 35.74 H new ATOM 940 N ASP A 65 55.671 114.202 84.635 1.00 0.00 N ATOM 941 CA ASP A 65 55.347 113.057 85.537 1.00 0.00 C ATOM 942 C ASP A 65 53.994 113.287 86.216 1.00 0.00 C ATOM 943 O ASP A 65 53.765 114.316 86.826 1.00 0.00 O ATOM 944 CB ASP A 65 56.478 113.036 86.576 1.00 0.00 C ATOM 945 CG ASP A 65 56.527 114.370 87.330 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.722 115.387 86.685 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.369 114.349 88.540 1.00 0.00 O ATOM 0 H ASP A 65 55.631 115.119 85.080 1.00 0.00 H new ATOM 0 HA ASP A 65 55.274 112.113 84.998 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.321 112.218 87.279 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.432 112.853 86.082 1.00 0.00 H new ATOM 952 N GLY A 66 53.098 112.336 86.121 1.00 31.82 N ATOM 953 CA GLY A 66 51.762 112.495 86.767 1.00 29.07 C ATOM 954 C GLY A 66 51.218 111.120 87.160 1.00 27.67 C ATOM 955 O GLY A 66 51.575 110.113 86.579 1.00 27.18 O ATOM 0 H GLY A 66 53.236 111.456 85.623 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.846 113.130 87.649 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.072 112.989 86.083 1.00 29.07 H new ATOM 959 N GLU A 67 50.355 111.073 88.144 1.00 0.00 N ATOM 960 CA GLU A 67 49.779 109.765 88.582 1.00 0.00 C ATOM 961 C GLU A 67 48.679 109.317 87.616 1.00 0.00 C ATOM 962 O GLU A 67 48.048 110.126 86.962 1.00 0.00 O ATOM 963 CB GLU A 67 49.198 110.030 89.974 1.00 0.00 C ATOM 964 CG GLU A 67 48.622 108.731 90.547 1.00 0.00 C ATOM 965 CD GLU A 67 48.036 108.985 91.944 1.00 0.00 C ATOM 966 OE1 GLU A 67 48.401 109.977 92.556 1.00 0.00 O ATOM 967 OE2 GLU A 67 47.229 108.179 92.377 1.00 0.00 O ATOM 0 H GLU A 67 50.024 111.886 88.664 1.00 0.00 H new ATOM 0 HA GLU A 67 50.527 108.972 88.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.973 110.418 90.635 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.419 110.790 89.915 1.00 0.00 H new ATOM 0 HG2 GLU A 67 47.848 108.344 89.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 49.402 107.972 90.604 1.00 0.00 H new ATOM 974 N GLY A 68 48.431 108.032 87.537 1.00 22.62 N ATOM 975 CA GLY A 68 47.358 107.506 86.634 1.00 22.36 C ATOM 976 C GLY A 68 47.479 108.082 85.219 1.00 20.38 C ATOM 977 O GLY A 68 48.461 108.702 84.862 1.00 21.93 O ATOM 0 H GLY A 68 48.931 107.317 88.065 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.418 106.419 86.591 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.380 107.755 87.046 1.00 22.36 H new ATOM 981 N VAL A 69 46.466 107.876 84.421 1.00 17.51 N ATOM 982 CA VAL A 69 46.462 108.395 83.018 1.00 15.40 C ATOM 983 C VAL A 69 45.158 109.148 82.750 1.00 17.02 C ATOM 984 O VAL A 69 44.080 108.663 83.010 1.00 17.35 O ATOM 985 CB VAL A 69 46.577 107.165 82.104 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.975 106.561 82.236 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.526 106.110 82.484 1.00 8.21 C ATOM 0 H VAL A 69 45.626 107.361 84.685 1.00 17.51 H new ATOM 0 HA VAL A 69 47.283 109.089 82.840 1.00 15.40 H new ATOM 0 HB VAL A 69 46.404 107.477 81.074 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.057 105.688 81.588 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.720 107.301 81.944 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.146 106.262 83.270 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.623 105.246 81.826 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.680 105.798 83.517 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.528 106.536 82.379 1.00 8.21 H new ATOM 997 N VAL A 70 45.280 110.349 82.240 1.00 17.68 N ATOM 998 CA VAL A 70 44.097 111.228 81.930 1.00 16.81 C ATOM 999 C VAL A 70 43.021 111.157 83.038 1.00 17.08 C ATOM 1000 O VAL A 70 41.836 111.233 82.777 1.00 16.77 O ATOM 1001 CB VAL A 70 43.554 110.789 80.553 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.690 110.774 79.522 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.924 109.397 80.636 1.00 20.55 C ATOM 0 H VAL A 70 46.180 110.775 82.017 1.00 17.68 H new ATOM 0 HA VAL A 70 44.397 112.275 81.895 1.00 16.81 H new ATOM 0 HB VAL A 70 42.790 111.502 80.245 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.298 110.463 78.553 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.117 111.773 79.437 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.463 110.075 79.842 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.548 109.109 79.654 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.674 108.677 80.963 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.100 109.412 81.350 1.00 20.55 H new ATOM 1013 N GLY A 71 43.448 111.056 84.273 1.00 17.30 N ATOM 1014 CA GLY A 71 42.491 111.031 85.427 1.00 16.44 C ATOM 1015 C GLY A 71 41.907 109.632 85.688 1.00 18.03 C ATOM 1016 O GLY A 71 40.915 109.507 86.385 1.00 18.29 O ATOM 0 H GLY A 71 44.431 110.989 84.535 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.002 111.379 86.324 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.677 111.729 85.233 1.00 16.44 H new ATOM 1020 N GLU A 72 42.495 108.586 85.160 1.00 0.00 N ATOM 1021 CA GLU A 72 41.930 107.218 85.423 1.00 0.00 C ATOM 1022 C GLU A 72 43.026 106.151 85.510 1.00 0.00 C ATOM 1023 O GLU A 72 44.076 106.258 84.909 1.00 0.00 O ATOM 1024 CB GLU A 72 40.979 106.920 84.261 1.00 0.00 C ATOM 1025 CG GLU A 72 41.738 106.972 82.939 1.00 0.00 C ATOM 1026 CD GLU A 72 40.848 106.432 81.819 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.626 105.231 81.793 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.404 107.225 81.007 1.00 0.00 O ATOM 0 H GLU A 72 43.326 108.614 84.569 1.00 0.00 H new ATOM 0 HA GLU A 72 41.415 107.197 86.384 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.528 105.936 84.392 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.165 107.645 84.251 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.036 107.997 82.719 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.652 106.382 83.008 1.00 0.00 H new ATOM 1035 N GLN A 73 42.762 105.115 86.261 1.00 13.09 N ATOM 1036 CA GLN A 73 43.738 103.999 86.424 1.00 15.45 C ATOM 1037 C GLN A 73 43.143 102.721 85.814 1.00 15.30 C ATOM 1038 O GLN A 73 42.676 101.853 86.527 1.00 16.40 O ATOM 1039 CB GLN A 73 43.898 103.842 87.939 1.00 18.12 C ATOM 1040 CG GLN A 73 44.673 105.037 88.497 1.00 18.21 C ATOM 1041 CD GLN A 73 44.645 104.997 90.026 1.00 16.98 C ATOM 1042 OE1 GLN A 73 43.698 105.449 90.639 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.648 104.469 90.671 1.00 14.04 N ATOM 0 H GLN A 73 41.892 104.994 86.779 1.00 13.09 H new ATOM 0 HA GLN A 73 44.692 104.189 85.932 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.919 103.776 88.414 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.425 102.915 88.166 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.703 105.014 88.141 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.233 105.968 88.139 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.443 104.090 90.156 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.638 104.435 91.690 1.00 14.04 H new ATOM 1052 N PRO A 74 43.153 102.661 84.500 1.00 15.25 N ATOM 1053 CA PRO A 74 42.562 101.466 83.827 1.00 16.63 C ATOM 1054 C PRO A 74 43.232 100.162 84.281 1.00 17.41 C ATOM 1055 O PRO A 74 44.438 100.083 84.434 1.00 17.61 O ATOM 1056 CB PRO A 74 42.817 101.709 82.343 1.00 16.18 C ATOM 1057 CG PRO A 74 43.997 102.617 82.303 1.00 16.38 C ATOM 1058 CD PRO A 74 43.927 103.470 83.538 1.00 13.89 C ATOM 0 HA PRO A 74 41.505 101.350 84.067 1.00 16.63 H new ATOM 0 HB2 PRO A 74 43.019 100.775 81.818 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.951 102.164 81.862 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.925 102.045 82.280 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.980 103.234 81.405 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.922 103.698 83.920 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.438 104.423 83.336 1.00 13.89 H new ATOM 1066 N TRP A 75 42.441 99.138 84.470 1.00 0.00 N ATOM 1067 CA TRP A 75 42.979 97.810 84.889 1.00 0.00 C ATOM 1068 C TRP A 75 42.996 96.881 83.672 1.00 0.00 C ATOM 1069 O TRP A 75 42.139 96.031 83.517 1.00 0.00 O ATOM 1070 CB TRP A 75 41.989 97.302 85.940 1.00 0.00 C ATOM 1071 CG TRP A 75 42.680 96.364 86.877 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.507 96.738 87.880 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.616 94.910 86.920 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.957 95.605 88.534 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.434 94.453 87.979 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.933 93.950 86.150 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.573 93.094 88.265 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 42.069 92.581 86.435 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.887 92.154 87.490 1.00 0.00 C ATOM 0 H TRP A 75 41.429 99.167 84.350 1.00 0.00 H new ATOM 0 HA TRP A 75 43.993 97.860 85.285 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.571 98.142 86.495 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.156 96.795 85.453 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.773 97.755 88.129 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.596 95.619 89.329 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.300 94.268 85.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.206 92.771 89.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.540 91.853 85.838 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.987 91.100 87.704 1.00 0.00 H new ATOM 1090 N LEU A 76 43.948 97.063 82.795 1.00 18.07 N ATOM 1091 CA LEU A 76 44.009 96.219 81.561 1.00 17.96 C ATOM 1092 C LEU A 76 44.152 94.735 81.903 1.00 19.47 C ATOM 1093 O LEU A 76 45.134 94.310 82.482 1.00 20.57 O ATOM 1094 CB LEU A 76 45.235 96.710 80.793 1.00 16.79 C ATOM 1095 CG LEU A 76 44.966 96.604 79.290 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.873 97.602 78.887 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.252 96.914 78.521 1.00 15.14 C ATOM 0 H LEU A 76 44.688 97.760 82.878 1.00 18.07 H new ATOM 0 HA LEU A 76 43.093 96.310 80.977 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.458 97.742 81.062 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.108 96.115 81.061 1.00 16.79 H new ATOM 0 HG LEU A 76 44.633 95.594 79.053 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.685 97.523 77.816 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.957 97.379 79.434 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.199 98.615 79.124 1.00 13.86 H new ATOM 0 HD21 LEU A 76 46.063 96.839 77.450 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.585 97.924 78.761 1.00 15.14 H new ATOM 0 HD23 LEU A 76 47.026 96.200 78.803 1.00 15.14 H new ATOM 1109 N ARG A 77 43.184 93.944 81.519 1.00 0.00 N ATOM 1110 CA ARG A 77 43.248 92.477 81.781 1.00 0.00 C ATOM 1111 C ARG A 77 44.014 91.799 80.639 1.00 0.00 C ATOM 1112 O ARG A 77 44.107 92.352 79.559 1.00 0.00 O ATOM 1113 CB ARG A 77 41.791 92.014 81.803 1.00 0.00 C ATOM 1114 CG ARG A 77 41.173 92.333 83.165 1.00 0.00 C ATOM 1115 CD ARG A 77 39.650 92.416 83.029 1.00 0.00 C ATOM 1116 NE ARG A 77 39.119 91.890 84.317 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.436 90.778 84.335 1.00 0.00 C ATOM 1118 NH1 ARG A 77 39.041 89.637 84.144 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.149 90.806 84.545 1.00 0.00 N ATOM 0 H ARG A 77 42.345 94.256 81.031 1.00 0.00 H new ATOM 0 HA ARG A 77 43.758 92.232 82.713 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.229 92.510 81.012 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.736 90.943 81.609 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.443 91.563 83.888 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.567 93.277 83.543 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.324 93.442 82.857 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.296 91.824 82.185 1.00 0.00 H new ATOM 0 HE ARG A 77 39.289 92.399 85.185 1.00 0.00 H new ATOM 0 HH11 ARG A 77 40.048 89.615 83.981 1.00 0.00 H new ATOM 0 HH12 ARG A 77 38.507 88.768 84.158 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.676 91.697 84.695 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.616 89.937 84.559 1.00 0.00 H new ATOM 1133 N PRO A 78 44.548 90.625 80.904 1.00 23.86 N ATOM 1134 CA PRO A 78 45.310 89.928 79.821 1.00 24.22 C ATOM 1135 C PRO A 78 44.461 89.795 78.546 1.00 24.36 C ATOM 1136 O PRO A 78 43.348 89.307 78.572 1.00 22.27 O ATOM 1137 CB PRO A 78 45.642 88.562 80.411 1.00 25.39 C ATOM 1138 CG PRO A 78 44.598 88.334 81.449 1.00 27.04 C ATOM 1139 CD PRO A 78 44.236 89.688 82.000 1.00 25.13 C ATOM 0 HA PRO A 78 46.204 90.476 79.523 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.618 87.784 79.648 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.642 88.551 80.846 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.724 87.845 81.019 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.972 87.682 82.238 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.183 89.736 82.276 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.811 89.919 82.896 1.00 25.13 H new ATOM 1147 N GLY A 79 45.001 90.229 77.436 1.00 24.74 N ATOM 1148 CA GLY A 79 44.260 90.140 76.142 1.00 23.79 C ATOM 1149 C GLY A 79 43.403 91.397 75.917 1.00 23.44 C ATOM 1150 O GLY A 79 43.009 91.685 74.801 1.00 22.44 O ATOM 0 H GLY A 79 45.930 90.644 77.370 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.967 90.024 75.320 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.623 89.255 76.142 1.00 23.79 H new ATOM 1154 N GLU A 80 43.114 92.150 76.954 1.00 23.31 N ATOM 1155 CA GLU A 80 42.290 93.388 76.782 1.00 21.90 C ATOM 1156 C GLU A 80 43.194 94.585 76.471 1.00 20.95 C ATOM 1157 O GLU A 80 44.400 94.519 76.623 1.00 19.52 O ATOM 1158 CB GLU A 80 41.570 93.580 78.117 1.00 23.06 C ATOM 1159 CG GLU A 80 40.578 94.742 78.003 1.00 23.88 C ATOM 1160 CD GLU A 80 39.763 94.868 79.297 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.677 93.891 80.027 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.237 95.942 79.537 1.00 25.91 O ATOM 0 H GLU A 80 43.413 91.960 77.910 1.00 23.31 H new ATOM 0 HA GLU A 80 41.585 93.304 75.955 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.045 92.666 78.393 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.294 93.783 78.906 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.115 95.671 77.810 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.910 94.578 77.158 1.00 23.88 H new ATOM 1169 N ALA A 81 42.618 95.677 76.028 1.00 0.00 N ATOM 1170 CA ALA A 81 43.437 96.881 75.696 1.00 0.00 C ATOM 1171 C ALA A 81 42.658 98.164 76.014 1.00 0.00 C ATOM 1172 O ALA A 81 41.445 98.198 75.939 1.00 0.00 O ATOM 1173 CB ALA A 81 43.710 96.774 74.195 1.00 0.00 C ATOM 0 H ALA A 81 41.614 95.784 75.883 1.00 0.00 H new ATOM 0 HA ALA A 81 44.359 96.923 76.276 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.309 97.626 73.873 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.251 95.851 73.989 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.765 96.769 73.653 1.00 0.00 H new ATOM 1179 N PHE A 82 43.354 99.221 76.348 1.00 18.56 N ATOM 1180 CA PHE A 82 42.673 100.515 76.652 1.00 17.00 C ATOM 1181 C PHE A 82 43.128 101.571 75.636 1.00 16.61 C ATOM 1182 O PHE A 82 44.250 101.532 75.167 1.00 15.77 O ATOM 1183 CB PHE A 82 43.128 100.889 78.066 1.00 13.41 C ATOM 1184 CG PHE A 82 42.495 102.202 78.469 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.250 102.209 79.111 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.148 103.409 78.194 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.661 103.424 79.479 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.557 104.624 78.560 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.314 104.631 79.204 1.00 9.06 C ATOM 0 H PHE A 82 44.371 99.243 76.423 1.00 18.56 H new ATOM 0 HA PHE A 82 41.587 100.447 76.593 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.845 100.106 78.769 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.214 100.971 78.100 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.745 101.278 79.322 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.108 103.403 77.699 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.702 103.430 79.976 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.060 105.556 78.346 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.859 105.568 79.489 1.00 9.06 H new ATOM 1199 N HIS A 83 42.279 102.507 75.285 1.00 0.00 N ATOM 1200 CA HIS A 83 42.692 103.548 74.290 1.00 0.00 C ATOM 1201 C HIS A 83 42.075 104.914 74.622 1.00 0.00 C ATOM 1202 O HIS A 83 40.924 105.013 74.998 1.00 0.00 O ATOM 1203 CB HIS A 83 42.179 103.035 72.938 1.00 0.00 C ATOM 1204 CG HIS A 83 40.682 102.862 72.981 1.00 0.00 C ATOM 1205 ND1 HIS A 83 40.083 101.723 73.496 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.652 103.677 72.576 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.751 101.882 73.389 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.435 103.056 72.834 1.00 0.00 N ATOM 0 H HIS A 83 41.327 102.596 75.640 1.00 0.00 H new ATOM 0 HA HIS A 83 43.772 103.697 74.291 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.449 103.736 72.149 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.655 102.085 72.697 1.00 0.00 H new ATOM 0 HD2 HIS A 83 39.770 104.652 72.126 1.00 0.00 H new ATOM 0 HE1 HIS A 83 38.026 101.150 73.712 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.501 103.419 72.641 1.00 0.00 H new ATOM 1216 N TYR A 84 42.838 105.968 74.456 1.00 21.96 N ATOM 1217 CA TYR A 84 42.309 107.339 74.729 1.00 22.81 C ATOM 1218 C TYR A 84 43.029 108.358 73.829 1.00 25.11 C ATOM 1219 O TYR A 84 44.094 108.086 73.308 1.00 26.65 O ATOM 1220 CB TYR A 84 42.565 107.604 76.224 1.00 19.35 C ATOM 1221 CG TYR A 84 44.045 107.738 76.514 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.809 106.604 76.813 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.648 109.002 76.498 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.174 106.732 77.092 1.00 9.20 C ATOM 1225 CE2 TYR A 84 46.013 109.130 76.779 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.776 107.996 77.075 1.00 12.19 C ATOM 1227 OH TYR A 84 48.122 108.122 77.352 1.00 13.46 O ATOM 0 H TYR A 84 43.808 105.936 74.142 1.00 21.96 H new ATOM 0 HA TYR A 84 41.245 107.428 74.510 1.00 22.81 H new ATOM 0 HB2 TYR A 84 42.049 108.515 76.528 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.149 106.789 76.816 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.344 105.629 76.828 1.00 12.01 H new ATOM 0 HD2 TYR A 84 44.059 109.878 76.269 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.763 105.856 77.320 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.477 110.105 76.767 1.00 14.00 H new ATOM 0 HH TYR A 84 48.433 109.008 77.070 1.00 13.46 H new ATOM 1237 N THR A 85 42.450 109.517 73.635 1.00 26.58 N ATOM 1238 CA THR A 85 43.096 110.542 72.758 1.00 26.99 C ATOM 1239 C THR A 85 43.768 111.635 73.596 1.00 28.14 C ATOM 1240 O THR A 85 43.222 112.102 74.577 1.00 27.02 O ATOM 1241 CB THR A 85 41.952 111.129 71.930 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.283 110.083 71.242 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.513 112.131 70.917 1.00 21.76 C ATOM 0 H THR A 85 41.559 109.797 74.045 1.00 26.58 H new ATOM 0 HA THR A 85 43.877 110.108 72.134 1.00 26.99 H new ATOM 0 HB THR A 85 41.250 111.638 72.590 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.548 110.457 70.712 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.697 112.548 70.328 1.00 21.76 H new ATOM 0 HG22 THR A 85 43.026 112.934 71.446 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.216 111.625 70.255 1.00 21.76 H new ATOM 1251 N SER A 86 44.952 112.045 73.208 1.00 29.06 N ATOM 1252 CA SER A 86 45.671 113.111 73.969 1.00 29.05 C ATOM 1253 C SER A 86 46.028 114.272 73.033 1.00 29.43 C ATOM 1254 O SER A 86 45.954 114.139 71.821 1.00 29.12 O ATOM 1255 CB SER A 86 46.938 112.431 74.479 1.00 29.12 C ATOM 1256 OG SER A 86 47.828 113.418 74.983 1.00 33.88 O ATOM 0 H SER A 86 45.451 111.685 72.395 1.00 29.06 H new ATOM 0 HA SER A 86 45.071 113.526 74.779 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.690 111.714 75.262 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.414 111.872 73.674 1.00 29.12 H new ATOM 0 HG SER A 86 48.595 113.505 74.380 1.00 33.88 H new ATOM 1262 N GLY A 87 46.428 115.401 73.572 1.00 29.08 N ATOM 1263 CA GLY A 87 46.792 116.557 72.696 1.00 29.89 C ATOM 1264 C GLY A 87 48.031 117.275 73.242 1.00 31.80 C ATOM 1265 O GLY A 87 48.090 117.644 74.399 1.00 31.40 O ATOM 0 H GLY A 87 46.517 115.569 74.574 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.985 116.206 71.682 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.956 117.254 72.638 1.00 29.89 H new ATOM 1269 N VAL A 88 49.015 117.482 72.404 1.00 0.00 N ATOM 1270 CA VAL A 88 50.261 118.188 72.843 1.00 0.00 C ATOM 1271 C VAL A 88 50.659 119.242 71.806 1.00 0.00 C ATOM 1272 O VAL A 88 50.322 119.139 70.642 1.00 0.00 O ATOM 1273 CB VAL A 88 51.345 117.108 72.957 1.00 0.00 C ATOM 1274 CG1 VAL A 88 50.993 116.151 74.096 1.00 0.00 C ATOM 1275 CG2 VAL A 88 51.450 116.326 71.643 1.00 0.00 C ATOM 0 H VAL A 88 49.010 117.190 71.427 1.00 0.00 H new ATOM 0 HA VAL A 88 50.118 118.704 73.793 1.00 0.00 H new ATOM 0 HB VAL A 88 52.303 117.585 73.163 1.00 0.00 H new ATOM 0 HG11 VAL A 88 51.763 115.384 74.177 1.00 0.00 H new ATOM 0 HG12 VAL A 88 50.933 116.706 75.032 1.00 0.00 H new ATOM 0 HG13 VAL A 88 50.031 115.680 73.892 1.00 0.00 H new ATOM 0 HG21 VAL A 88 52.222 115.562 71.735 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.494 115.851 71.425 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.709 117.008 70.833 1.00 0.00 H new ATOM 1285 N LEU A 89 51.364 120.262 72.228 1.00 0.00 N ATOM 1286 CA LEU A 89 51.778 121.339 71.277 1.00 0.00 C ATOM 1287 C LEU A 89 53.289 121.294 71.022 1.00 0.00 C ATOM 1288 O LEU A 89 54.070 120.985 71.903 1.00 0.00 O ATOM 1289 CB LEU A 89 51.394 122.647 71.971 1.00 0.00 C ATOM 1290 CG LEU A 89 49.871 122.741 72.081 1.00 0.00 C ATOM 1291 CD1 LEU A 89 49.421 122.214 73.445 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.439 124.203 71.934 1.00 0.00 C ATOM 0 H LEU A 89 51.671 120.395 73.191 1.00 0.00 H new ATOM 0 HA LEU A 89 51.296 121.228 70.305 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.844 122.690 72.963 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.781 123.496 71.408 1.00 0.00 H new ATOM 0 HG LEU A 89 49.414 122.143 71.292 1.00 0.00 H new ATOM 0 HD11 LEU A 89 48.336 122.282 73.521 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.728 121.174 73.552 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.878 122.811 74.234 1.00 0.00 H new ATOM 0 HD21 LEU A 89 48.354 124.271 72.012 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.898 124.799 72.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.757 124.580 70.962 1.00 0.00 H new ATOM 1304 N LEU A 90 53.699 121.602 69.817 1.00 37.85 N ATOM 1305 CA LEU A 90 55.155 121.582 69.482 1.00 36.74 C ATOM 1306 C LEU A 90 55.594 122.968 68.995 1.00 35.30 C ATOM 1307 O LEU A 90 54.827 123.682 68.374 1.00 35.10 O ATOM 1308 CB LEU A 90 55.288 120.552 68.360 1.00 38.41 C ATOM 1309 CG LEU A 90 56.747 120.106 68.248 1.00 38.68 C ATOM 1310 CD1 LEU A 90 57.089 119.179 69.416 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.949 119.356 66.929 1.00 38.08 C ATOM 0 H LEU A 90 53.084 121.868 69.048 1.00 37.85 H new ATOM 0 HA LEU A 90 55.778 121.329 70.340 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.648 119.693 68.563 1.00 38.41 H new ATOM 0 HB3 LEU A 90 54.954 120.982 67.416 1.00 38.41 H new ATOM 0 HG LEU A 90 57.397 120.980 68.275 1.00 38.68 H new ATOM 0 HD11 LEU A 90 58.129 118.861 69.336 1.00 37.80 H new ATOM 0 HD12 LEU A 90 56.943 119.710 70.357 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.439 118.304 69.389 1.00 37.80 H new ATOM 0 HD21 LEU A 90 57.988 119.037 66.847 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.298 118.482 66.904 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.705 120.014 66.095 1.00 38.08 H new ATOM 1323 N GLU A 91 56.810 123.361 69.280 1.00 0.00 N ATOM 1324 CA GLU A 91 57.288 124.709 68.842 1.00 0.00 C ATOM 1325 C GLU A 91 57.797 124.670 67.395 1.00 0.00 C ATOM 1326 O GLU A 91 57.767 125.667 66.698 1.00 0.00 O ATOM 1327 CB GLU A 91 58.430 125.054 69.801 1.00 0.00 C ATOM 1328 CG GLU A 91 58.950 126.463 69.495 1.00 0.00 C ATOM 1329 CD GLU A 91 60.096 126.821 70.451 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.196 126.199 71.498 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.854 127.718 70.120 1.00 0.00 O ATOM 0 H GLU A 91 57.493 122.807 69.797 1.00 0.00 H new ATOM 0 HA GLU A 91 56.488 125.449 68.867 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.081 125.000 70.832 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.236 124.328 69.699 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.297 126.515 68.463 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.142 127.187 69.596 1.00 0.00 H new ATOM 1338 N THR A 92 58.271 123.534 66.941 1.00 31.63 N ATOM 1339 CA THR A 92 58.788 123.449 65.538 1.00 28.98 C ATOM 1340 C THR A 92 58.057 122.354 64.755 1.00 28.33 C ATOM 1341 O THR A 92 57.286 121.591 65.307 1.00 29.20 O ATOM 1342 CB THR A 92 60.275 123.114 65.677 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.418 121.888 66.383 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.984 124.232 66.441 1.00 25.50 C ATOM 0 H THR A 92 58.322 122.668 67.477 1.00 31.63 H new ATOM 0 HA THR A 92 58.630 124.378 64.991 1.00 28.98 H new ATOM 0 HB THR A 92 60.720 123.018 64.687 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.585 121.162 65.747 1.00 29.23 H new ATOM 0 HG21 THR A 92 62.043 123.991 66.539 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.874 125.171 65.898 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.542 124.333 67.432 1.00 25.50 H new ATOM 1352 N GLU A 93 58.285 122.288 63.466 1.00 0.00 N ATOM 1353 CA GLU A 93 57.597 121.260 62.625 1.00 0.00 C ATOM 1354 C GLU A 93 58.366 119.932 62.614 1.00 0.00 C ATOM 1355 O GLU A 93 58.068 119.055 61.825 1.00 0.00 O ATOM 1356 CB GLU A 93 57.574 121.860 61.219 1.00 0.00 C ATOM 1357 CG GLU A 93 56.611 123.050 61.183 1.00 0.00 C ATOM 1358 CD GLU A 93 56.579 123.661 59.775 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.515 123.437 59.024 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.614 124.344 59.473 1.00 0.00 O ATOM 0 H GLU A 93 58.920 122.904 62.959 1.00 0.00 H new ATOM 0 HA GLU A 93 56.602 121.035 63.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.576 122.181 60.934 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.263 121.106 60.496 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.610 122.727 61.470 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.923 123.802 61.907 1.00 0.00 H new ATOM 1367 N GLN A 94 59.342 119.765 63.474 1.00 0.00 N ATOM 1368 CA GLN A 94 60.107 118.479 63.491 1.00 0.00 C ATOM 1369 C GLN A 94 60.484 118.116 64.930 1.00 0.00 C ATOM 1370 O GLN A 94 60.797 118.991 65.718 1.00 0.00 O ATOM 1371 CB GLN A 94 61.365 118.750 62.655 1.00 0.00 C ATOM 1372 CG GLN A 94 62.158 119.916 63.254 1.00 0.00 C ATOM 1373 CD GLN A 94 63.428 120.147 62.433 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.917 119.245 61.781 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.989 121.326 62.437 1.00 0.00 N ATOM 0 H GLN A 94 59.640 120.458 64.160 1.00 0.00 H new ATOM 0 HA GLN A 94 59.529 117.646 63.091 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.988 117.856 62.622 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.085 118.981 61.627 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.548 120.819 63.261 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.417 119.699 64.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 63.580 122.084 62.984 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.837 121.489 61.893 1.00 0.00 H new ATOM 1384 N GLY A 95 60.468 116.852 65.292 1.00 27.89 N ATOM 1385 CA GLY A 95 60.844 116.504 66.700 1.00 28.05 C ATOM 1386 C GLY A 95 60.771 114.999 66.972 1.00 27.70 C ATOM 1387 O GLY A 95 60.114 114.248 66.278 1.00 25.89 O ATOM 0 H GLY A 95 60.218 116.067 64.691 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.855 116.857 66.900 1.00 28.05 H new ATOM 0 HA3 GLY A 95 60.181 117.027 67.389 1.00 28.05 H new ATOM 1391 N GLN A 96 61.447 114.575 68.012 1.00 0.00 N ATOM 1392 CA GLN A 96 61.449 113.132 68.405 1.00 0.00 C ATOM 1393 C GLN A 96 60.861 113.001 69.813 1.00 0.00 C ATOM 1394 O GLN A 96 61.255 113.714 70.718 1.00 0.00 O ATOM 1395 CB GLN A 96 62.925 112.706 68.425 1.00 0.00 C ATOM 1396 CG GLN A 96 63.605 113.067 67.101 1.00 0.00 C ATOM 1397 CD GLN A 96 64.857 112.208 66.918 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.594 111.978 67.857 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.132 111.718 65.739 1.00 0.00 N ATOM 0 H GLN A 96 62.006 115.179 68.615 1.00 0.00 H new ATOM 0 HA GLN A 96 60.862 112.518 67.722 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.440 113.197 69.251 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.997 111.632 68.597 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.917 112.906 66.271 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.872 114.124 67.094 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.515 111.910 64.950 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.964 111.143 65.607 1.00 0.00 H new ATOM 1408 N MET A 97 59.911 112.120 70.005 1.00 0.00 N ATOM 1409 CA MET A 97 59.291 111.981 71.358 1.00 0.00 C ATOM 1410 C MET A 97 59.286 110.521 71.831 1.00 0.00 C ATOM 1411 O MET A 97 58.740 109.651 71.181 1.00 0.00 O ATOM 1412 CB MET A 97 57.860 112.481 71.168 1.00 0.00 C ATOM 1413 CG MET A 97 57.182 112.627 72.528 1.00 0.00 C ATOM 1414 SD MET A 97 55.632 113.543 72.331 1.00 0.00 S ATOM 1415 CE MET A 97 54.743 112.784 73.712 1.00 0.00 C ATOM 0 H MET A 97 59.540 111.495 69.289 1.00 0.00 H new ATOM 0 HA MET A 97 59.842 112.538 72.115 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.865 113.439 70.649 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.300 111.784 70.545 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.985 111.644 72.956 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.841 113.150 73.221 1.00 0.00 H new ATOM 0 HE1 MET A 97 53.987 112.100 73.326 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.445 112.233 74.338 1.00 0.00 H new ATOM 0 HE3 MET A 97 54.261 113.561 74.305 1.00 0.00 H new ATOM 1425 N GLN A 98 59.879 110.254 72.970 1.00 0.00 N ATOM 1426 CA GLN A 98 59.904 108.862 73.519 1.00 0.00 C ATOM 1427 C GLN A 98 59.218 108.873 74.886 1.00 0.00 C ATOM 1428 O GLN A 98 59.235 109.884 75.567 1.00 0.00 O ATOM 1429 CB GLN A 98 61.391 108.519 73.683 1.00 0.00 C ATOM 1430 CG GLN A 98 62.112 108.667 72.342 1.00 0.00 C ATOM 1431 CD GLN A 98 63.489 108.004 72.424 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.609 106.805 72.269 1.00 0.00 O ATOM 1433 NE2 GLN A 98 64.540 108.739 72.664 1.00 0.00 N ATOM 0 H GLN A 98 60.351 110.949 73.548 1.00 0.00 H new ATOM 0 HA GLN A 98 59.395 108.141 72.879 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.845 109.177 74.424 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.499 107.499 74.053 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.523 108.208 71.548 1.00 0.00 H new ATOM 0 HG3 GLN A 98 62.219 109.722 72.090 1.00 0.00 H new ATOM 0 HE21 GLN A 98 64.439 109.746 72.794 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.462 108.307 72.721 1.00 0.00 H new ATOM 1442 N GLY A 99 58.605 107.786 75.302 1.00 29.62 N ATOM 1443 CA GLY A 99 57.922 107.811 76.638 1.00 28.62 C ATOM 1444 C GLY A 99 57.887 106.421 77.270 1.00 28.62 C ATOM 1445 O GLY A 99 58.235 105.434 76.652 1.00 29.22 O ATOM 0 H GLY A 99 58.548 106.906 74.790 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.442 108.502 77.302 1.00 28.62 H new ATOM 0 HA3 GLY A 99 56.905 108.186 76.522 1.00 28.62 H new ATOM 1449 N HIS A 100 57.456 106.345 78.507 1.00 0.00 N ATOM 1450 CA HIS A 100 57.371 105.025 79.193 1.00 0.00 C ATOM 1451 C HIS A 100 56.073 104.958 80.009 1.00 0.00 C ATOM 1452 O HIS A 100 55.534 105.975 80.410 1.00 0.00 O ATOM 1453 CB HIS A 100 58.601 104.961 80.101 1.00 0.00 C ATOM 1454 CG HIS A 100 59.211 103.588 80.044 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.539 103.385 79.702 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.694 102.340 80.289 1.00 0.00 C ATOM 1457 CE1 HIS A 100 60.773 102.061 79.752 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.682 101.378 80.104 1.00 0.00 N ATOM 0 H HIS A 100 57.160 107.144 79.068 1.00 0.00 H new ATOM 0 HA HIS A 100 57.355 104.187 78.497 1.00 0.00 H new ATOM 0 HB2 HIS A 100 59.333 105.706 79.789 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.319 105.201 81.126 1.00 0.00 H new ATOM 0 HD1 HIS A 100 61.216 104.108 79.457 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.675 102.136 80.581 1.00 0.00 H new ATOM 0 HE1 HIS A 100 61.728 101.606 79.534 1.00 0.00 H new ATOM 1466 N TYR A 101 55.564 103.775 80.250 1.00 25.77 N ATOM 1467 CA TYR A 101 54.294 103.648 81.031 1.00 25.79 C ATOM 1468 C TYR A 101 54.537 102.843 82.310 1.00 26.52 C ATOM 1469 O TYR A 101 55.009 101.723 82.254 1.00 27.05 O ATOM 1470 CB TYR A 101 53.334 102.884 80.113 1.00 24.67 C ATOM 1471 CG TYR A 101 52.753 103.796 79.050 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.284 105.078 79.380 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.681 103.348 77.725 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.745 105.904 78.384 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.144 104.175 76.733 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.676 105.450 77.062 1.00 23.58 C ATOM 1477 OH TYR A 101 51.144 106.262 76.081 1.00 25.91 O ATOM 0 H TYR A 101 55.972 102.893 79.940 1.00 25.77 H new ATOM 0 HA TYR A 101 53.900 104.620 81.326 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.861 102.057 79.638 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.528 102.450 80.705 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.339 105.427 80.401 1.00 20.31 H new ATOM 0 HD2 TYR A 101 53.041 102.362 77.469 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.383 106.890 78.637 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.091 103.828 75.712 1.00 24.17 H new ATOM 0 HH TYR A 101 51.834 106.878 75.756 1.00 25.91 H new ATOM 1487 N ASP A 102 54.185 103.369 83.459 1.00 0.00 N ATOM 1488 CA ASP A 102 54.364 102.588 84.720 1.00 0.00 C ATOM 1489 C ASP A 102 53.131 101.707 84.933 1.00 0.00 C ATOM 1490 O ASP A 102 52.015 102.182 85.032 1.00 0.00 O ATOM 1491 CB ASP A 102 54.517 103.619 85.840 1.00 0.00 C ATOM 1492 CG ASP A 102 55.864 104.333 85.700 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.808 103.698 85.259 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.928 105.504 86.036 1.00 0.00 O ATOM 0 H ASP A 102 53.784 104.300 83.576 1.00 0.00 H new ATOM 0 HA ASP A 102 55.235 101.933 84.691 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.704 104.343 85.795 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.453 103.128 86.811 1.00 0.00 H new ATOM 1499 N MET A 103 53.342 100.418 84.988 1.00 0.00 N ATOM 1500 CA MET A 103 52.213 99.459 85.173 1.00 0.00 C ATOM 1501 C MET A 103 52.430 98.610 86.427 1.00 0.00 C ATOM 1502 O MET A 103 53.525 98.526 86.950 1.00 0.00 O ATOM 1503 CB MET A 103 52.262 98.573 83.928 1.00 0.00 C ATOM 1504 CG MET A 103 52.004 99.421 82.682 1.00 0.00 C ATOM 1505 SD MET A 103 50.254 99.873 82.614 1.00 0.00 S ATOM 1506 CE MET A 103 49.612 98.234 82.195 1.00 0.00 C ATOM 0 H MET A 103 54.262 99.983 84.911 1.00 0.00 H new ATOM 0 HA MET A 103 51.256 99.965 85.295 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.235 98.087 83.854 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.515 97.782 84.003 1.00 0.00 H new ATOM 0 HG2 MET A 103 52.622 100.319 82.705 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.282 98.865 81.787 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.998 98.302 81.297 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.444 97.553 82.015 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.007 97.858 83.020 1.00 0.00 H new ATOM 1516 N VAL A 104 51.389 97.978 86.906 1.00 21.01 N ATOM 1517 CA VAL A 104 51.520 97.126 88.129 1.00 21.69 C ATOM 1518 C VAL A 104 50.654 95.869 88.000 1.00 22.60 C ATOM 1519 O VAL A 104 49.474 95.945 87.714 1.00 22.32 O ATOM 1520 CB VAL A 104 51.025 97.986 89.305 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.069 99.057 89.627 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.686 98.658 88.966 1.00 23.28 C ATOM 0 H VAL A 104 50.453 98.015 86.503 1.00 21.01 H new ATOM 0 HA VAL A 104 52.550 96.801 88.274 1.00 21.69 H new ATOM 0 HB VAL A 104 50.877 97.340 90.170 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.720 99.667 90.460 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.010 98.578 89.898 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.222 99.690 88.753 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.357 99.260 89.813 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.811 99.298 88.092 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.939 97.893 88.752 1.00 23.28 H new ATOM 1532 N ALA A 105 51.227 94.715 88.224 1.00 0.00 N ATOM 1533 CA ALA A 105 50.434 93.451 88.134 1.00 0.00 C ATOM 1534 C ALA A 105 49.496 93.354 89.337 1.00 0.00 C ATOM 1535 O ALA A 105 49.636 94.089 90.297 1.00 0.00 O ATOM 1536 CB ALA A 105 51.468 92.323 88.167 1.00 0.00 C ATOM 0 H ALA A 105 52.210 94.592 88.466 1.00 0.00 H new ATOM 0 HA ALA A 105 49.820 93.404 87.234 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.959 91.361 88.105 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.149 92.429 87.322 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.033 92.375 89.097 1.00 0.00 H new ATOM 1542 N ASP A 106 48.538 92.462 89.291 1.00 0.00 N ATOM 1543 CA ASP A 106 47.586 92.334 90.438 1.00 0.00 C ATOM 1544 C ASP A 106 48.331 91.885 91.701 1.00 0.00 C ATOM 1545 O ASP A 106 47.917 92.175 92.809 1.00 0.00 O ATOM 1546 CB ASP A 106 46.554 91.282 90.001 1.00 0.00 C ATOM 1547 CG ASP A 106 47.231 89.923 89.768 1.00 0.00 C ATOM 1548 OD1 ASP A 106 48.426 89.903 89.523 1.00 0.00 O ATOM 1549 OD2 ASP A 106 46.536 88.921 89.835 1.00 0.00 O ATOM 0 H ASP A 106 48.374 91.821 88.515 1.00 0.00 H new ATOM 0 HA ASP A 106 47.107 93.283 90.680 1.00 0.00 H new ATOM 0 HB2 ASP A 106 45.782 91.183 90.764 1.00 0.00 H new ATOM 0 HB3 ASP A 106 46.059 91.609 89.087 1.00 0.00 H new ATOM 1554 N ASP A 107 49.418 91.174 91.543 1.00 0.00 N ATOM 1555 CA ASP A 107 50.188 90.695 92.734 1.00 0.00 C ATOM 1556 C ASP A 107 51.010 91.832 93.357 1.00 0.00 C ATOM 1557 O ASP A 107 51.552 91.685 94.438 1.00 0.00 O ATOM 1558 CB ASP A 107 51.114 89.602 92.198 1.00 0.00 C ATOM 1559 CG ASP A 107 50.288 88.373 91.808 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.284 88.127 92.457 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.673 87.701 90.866 1.00 0.00 O ATOM 0 H ASP A 107 49.807 90.903 90.640 1.00 0.00 H new ATOM 0 HA ASP A 107 49.525 90.329 93.518 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.666 89.971 91.333 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.851 89.332 92.955 1.00 0.00 H new ATOM 1566 N GLY A 108 51.111 92.961 92.695 1.00 30.43 N ATOM 1567 CA GLY A 108 51.900 94.093 93.263 1.00 29.11 C ATOM 1568 C GLY A 108 53.254 94.214 92.550 1.00 29.35 C ATOM 1569 O GLY A 108 53.990 95.156 92.777 1.00 30.17 O ATOM 0 H GLY A 108 50.681 93.144 91.788 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.342 95.023 93.157 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.057 93.936 94.330 1.00 29.11 H new ATOM 1573 N THR A 109 53.597 93.275 91.692 1.00 0.00 N ATOM 1574 CA THR A 109 54.913 93.357 90.976 1.00 0.00 C ATOM 1575 C THR A 109 54.996 94.666 90.181 1.00 0.00 C ATOM 1576 O THR A 109 54.047 95.056 89.527 1.00 0.00 O ATOM 1577 CB THR A 109 54.930 92.156 90.028 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.658 90.970 90.762 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.305 92.045 89.366 1.00 0.00 C ATOM 0 H THR A 109 53.026 92.462 91.459 1.00 0.00 H new ATOM 0 HA THR A 109 55.758 93.342 91.664 1.00 0.00 H new ATOM 0 HB THR A 109 54.169 92.290 89.259 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.468 90.237 90.140 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.316 91.189 88.691 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.512 92.955 88.802 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.068 91.912 90.133 1.00 0.00 H new ATOM 1587 N GLU A 110 56.113 95.349 90.239 1.00 0.00 N ATOM 1588 CA GLU A 110 56.236 96.635 89.489 1.00 0.00 C ATOM 1589 C GLU A 110 57.011 96.431 88.184 1.00 0.00 C ATOM 1590 O GLU A 110 58.001 95.726 88.140 1.00 0.00 O ATOM 1591 CB GLU A 110 56.990 97.577 90.428 1.00 0.00 C ATOM 1592 CG GLU A 110 56.090 97.954 91.608 1.00 0.00 C ATOM 1593 CD GLU A 110 56.835 98.898 92.560 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.056 98.932 92.510 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.169 99.576 93.326 1.00 0.00 O ATOM 0 H GLU A 110 56.939 95.073 90.770 1.00 0.00 H new ATOM 0 HA GLU A 110 55.262 97.036 89.209 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.899 97.096 90.790 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.297 98.474 89.890 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.182 98.435 91.244 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.782 97.055 92.142 1.00 0.00 H new ATOM 1602 N PHE A 111 56.565 97.057 87.125 1.00 27.41 N ATOM 1603 CA PHE A 111 57.260 96.926 85.810 1.00 27.50 C ATOM 1604 C PHE A 111 56.848 98.080 84.884 1.00 28.03 C ATOM 1605 O PHE A 111 55.710 98.506 84.872 1.00 27.72 O ATOM 1606 CB PHE A 111 56.831 95.554 85.257 1.00 26.12 C ATOM 1607 CG PHE A 111 55.371 95.562 84.854 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.375 95.360 85.817 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.018 95.768 83.515 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.027 95.364 85.440 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.670 95.771 83.138 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.674 95.570 84.101 1.00 23.73 C ATOM 0 H PHE A 111 55.741 97.659 87.116 1.00 27.41 H new ATOM 0 HA PHE A 111 58.345 96.981 85.897 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.448 95.296 84.396 1.00 26.12 H new ATOM 0 HB3 PHE A 111 56.999 94.785 86.011 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.647 95.201 86.850 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.786 95.925 82.772 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.259 95.208 86.183 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.398 95.928 82.105 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.634 95.574 83.811 1.00 23.73 H new ATOM 1622 N ILE A 112 57.781 98.592 84.123 1.00 0.00 N ATOM 1623 CA ILE A 112 57.474 99.731 83.204 1.00 0.00 C ATOM 1624 C ILE A 112 57.263 99.235 81.769 1.00 0.00 C ATOM 1625 O ILE A 112 57.756 98.193 81.381 1.00 0.00 O ATOM 1626 CB ILE A 112 58.691 100.662 83.288 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.958 99.917 82.851 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.863 101.150 84.728 1.00 0.00 C ATOM 1629 CD1 ILE A 112 61.066 100.927 82.547 1.00 0.00 C ATOM 0 H ILE A 112 58.748 98.269 84.098 1.00 0.00 H new ATOM 0 HA ILE A 112 56.555 100.242 83.489 1.00 0.00 H new ATOM 0 HB ILE A 112 58.531 101.513 82.626 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.280 99.234 83.637 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.751 99.312 81.968 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.728 101.811 84.787 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.970 101.692 85.038 1.00 0.00 H new ATOM 0 HG23 ILE A 112 59.015 100.295 85.386 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.966 100.397 82.236 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.742 101.592 81.747 1.00 0.00 H new ATOM 0 HD13 ILE A 112 61.280 101.513 83.441 1.00 0.00 H new ATOM 1641 N ALA A 113 56.543 99.990 80.979 1.00 0.00 N ATOM 1642 CA ALA A 113 56.297 99.597 79.561 1.00 0.00 C ATOM 1643 C ALA A 113 56.816 100.702 78.628 1.00 0.00 C ATOM 1644 O ALA A 113 56.151 101.699 78.426 1.00 0.00 O ATOM 1645 CB ALA A 113 54.779 99.454 79.442 1.00 0.00 C ATOM 0 H ALA A 113 56.111 100.870 81.260 1.00 0.00 H new ATOM 0 HA ALA A 113 56.806 98.673 79.285 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.519 99.166 78.423 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.430 98.689 80.136 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.304 100.405 79.682 1.00 0.00 H new ATOM 1651 N PRO A 114 58.002 100.493 78.102 1.00 31.26 N ATOM 1652 CA PRO A 114 58.587 101.528 77.198 1.00 32.26 C ATOM 1653 C PRO A 114 57.699 101.800 75.981 1.00 31.77 C ATOM 1654 O PRO A 114 57.081 100.918 75.419 1.00 33.24 O ATOM 1655 CB PRO A 114 59.921 100.931 76.757 1.00 32.64 C ATOM 1656 CG PRO A 114 59.743 99.460 76.898 1.00 33.31 C ATOM 1657 CD PRO A 114 58.803 99.252 78.051 1.00 32.61 C ATOM 0 HA PRO A 114 58.691 102.488 77.705 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.156 101.204 75.728 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.741 101.292 77.378 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.336 99.029 75.983 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.699 98.970 77.083 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.171 98.378 77.896 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.346 99.091 78.982 1.00 32.61 H new ATOM 1665 N ILE A 115 57.670 103.042 75.572 1.00 30.59 N ATOM 1666 CA ILE A 115 56.869 103.449 74.381 1.00 30.04 C ATOM 1667 C ILE A 115 57.831 103.781 73.243 1.00 30.45 C ATOM 1668 O ILE A 115 58.686 104.645 73.375 1.00 30.15 O ATOM 1669 CB ILE A 115 56.088 104.701 74.802 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.260 104.405 76.059 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.149 105.116 73.668 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.711 105.715 76.624 1.00 28.50 C ATOM 0 H ILE A 115 58.177 103.804 76.022 1.00 30.59 H new ATOM 0 HA ILE A 115 56.191 102.665 74.044 1.00 30.04 H new ATOM 0 HB ILE A 115 56.791 105.506 75.016 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.440 103.728 75.817 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.877 103.904 76.805 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.592 106.005 73.964 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.733 105.334 72.774 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.452 104.305 73.458 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.122 105.507 77.517 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.539 106.376 76.881 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.080 106.197 75.877 1.00 28.50 H new ATOM 1684 N ALA A 116 57.700 103.096 72.129 1.00 30.78 N ATOM 1685 CA ALA A 116 58.609 103.336 70.959 1.00 29.78 C ATOM 1686 C ALA A 116 58.733 104.827 70.641 1.00 29.57 C ATOM 1687 O ALA A 116 57.898 105.624 71.024 1.00 28.51 O ATOM 1688 CB ALA A 116 57.952 102.600 69.788 1.00 27.76 C ATOM 0 H ALA A 116 56.995 102.374 71.979 1.00 30.78 H new ATOM 0 HA ALA A 116 59.619 102.982 71.164 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.559 102.728 68.891 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.872 101.539 70.024 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.957 103.009 69.614 1.00 27.76 H new ATOM 1694 N ALA A 117 59.779 105.204 69.952 1.00 0.00 N ATOM 1695 CA ALA A 117 59.978 106.639 69.612 1.00 0.00 C ATOM 1696 C ALA A 117 59.343 106.972 68.262 1.00 0.00 C ATOM 1697 O ALA A 117 59.666 106.379 67.250 1.00 0.00 O ATOM 1698 CB ALA A 117 61.494 106.811 69.533 1.00 0.00 C ATOM 0 H ALA A 117 60.505 104.575 69.610 1.00 0.00 H new ATOM 0 HA ALA A 117 59.517 107.299 70.347 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.730 107.846 69.285 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.940 106.557 70.495 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.895 106.153 68.762 1.00 0.00 H new ATOM 1704 N PHE A 118 58.470 107.942 68.241 1.00 29.64 N ATOM 1705 CA PHE A 118 57.835 108.361 66.958 1.00 29.08 C ATOM 1706 C PHE A 118 58.303 109.777 66.630 1.00 30.66 C ATOM 1707 O PHE A 118 58.736 110.504 67.505 1.00 30.55 O ATOM 1708 CB PHE A 118 56.314 108.301 67.178 1.00 25.73 C ATOM 1709 CG PHE A 118 55.909 109.098 68.397 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.577 110.452 68.272 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.851 108.477 69.651 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.190 111.185 69.400 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.462 109.209 70.778 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.132 110.563 70.653 1.00 21.66 C ATOM 0 H PHE A 118 58.167 108.466 69.062 1.00 29.64 H new ATOM 0 HA PHE A 118 58.107 107.717 66.122 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.801 108.690 66.299 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.001 107.264 67.297 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.619 110.931 67.305 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.107 107.432 69.748 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.936 112.230 69.304 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.416 108.729 71.744 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.833 111.128 71.523 1.00 21.66 H new ATOM 1724 N VAL A 119 58.233 110.178 65.387 1.00 0.00 N ATOM 1725 CA VAL A 119 58.691 111.552 65.022 1.00 0.00 C ATOM 1726 C VAL A 119 57.519 112.383 64.501 1.00 0.00 C ATOM 1727 O VAL A 119 56.545 111.857 63.994 1.00 0.00 O ATOM 1728 CB VAL A 119 59.746 111.350 63.930 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.301 112.708 63.489 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.892 110.491 64.474 1.00 0.00 C ATOM 0 H VAL A 119 57.880 109.616 64.612 1.00 0.00 H new ATOM 0 HA VAL A 119 59.098 112.090 65.878 1.00 0.00 H new ATOM 0 HB VAL A 119 59.286 110.850 63.078 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.051 112.560 62.712 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.490 113.323 63.098 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.757 113.209 64.343 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.641 110.349 63.695 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.347 110.991 65.329 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.504 109.521 64.785 1.00 0.00 H new ATOM 1740 N LEU A 120 57.616 113.681 64.618 1.00 36.62 N ATOM 1741 CA LEU A 120 56.525 114.568 64.129 1.00 37.66 C ATOM 1742 C LEU A 120 57.046 115.413 62.967 1.00 38.64 C ATOM 1743 O LEU A 120 58.100 116.017 63.056 1.00 37.83 O ATOM 1744 CB LEU A 120 56.146 115.468 65.314 1.00 38.14 C ATOM 1745 CG LEU A 120 55.363 114.670 66.369 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.283 113.669 67.072 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.782 115.639 67.402 1.00 37.30 C ATOM 0 H LEU A 120 58.411 114.166 65.035 1.00 36.62 H new ATOM 0 HA LEU A 120 55.663 114.002 63.775 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.047 115.888 65.762 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.544 116.306 64.963 1.00 38.14 H new ATOM 0 HG LEU A 120 54.559 114.122 65.877 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.714 113.112 67.816 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.696 112.977 66.338 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.096 114.204 67.563 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.225 115.079 68.153 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.592 116.186 67.884 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.114 116.343 66.905 1.00 37.30 H new ATOM 1759 N SER A 121 56.321 115.450 61.878 1.00 0.00 N ATOM 1760 CA SER A 121 56.767 116.247 60.697 1.00 0.00 C ATOM 1761 C SER A 121 55.556 116.666 59.858 1.00 0.00 C ATOM 1762 O SER A 121 54.923 115.852 59.215 1.00 0.00 O ATOM 1763 CB SER A 121 57.670 115.306 59.902 1.00 0.00 C ATOM 1764 OG SER A 121 56.932 114.149 59.529 1.00 0.00 O ATOM 0 H SER A 121 55.435 114.960 61.756 1.00 0.00 H new ATOM 0 HA SER A 121 57.286 117.161 60.986 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.049 115.811 59.014 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.535 115.022 60.501 1.00 0.00 H new ATOM 0 HG SER A 121 56.007 114.402 59.326 1.00 0.00 H new