USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 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 85:sc= 0.872 USER MOD Set 1.2: A 86 SER OG : rot -128:sc= 1.53! USER MOD Set 2.1: A 55 THR OG1 : rot -16:sc= 0.0893 USER MOD Set 2.2: A 61 THR OG1 : rot 15:sc= 1.76 USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0.999 USER MOD Set 3.2: A 109 THR OG1 : rot 174:sc= 1.18 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=-0.0046) USER MOD Single : A 21 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.9) USER MOD Single : A 22 SER OG : rot -8:sc= -0.928 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -91:sc= 0.239 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 39 ASN : amide:sc= 0.223 K(o=0.22,f=-8.4!) USER MOD Single : A 51 HIS : no HE2:sc= -0.427 X(o=-0.43,f=-0.71) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.28) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 83 HIS : no HD1:sc= -0.373 K(o=-0.37,f=-1.5) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 142:sc= 1.27 USER MOD Single : A 94 GLN : amide:sc= -0.0248 K(o=-0.025,f=-0.95) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 97 MET CE :methyl 142:sc= -0.226 (180deg=-1.33) USER MOD Single : A 98 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.2!) USER MOD Single : A 100 HIS : no HD1:sc= -4 K(o=-4,f=-4.6!) USER MOD Single : A 101 TYR OH : rot 80:sc= 1.53 USER MOD Single : A 103 MET CE :methyl 143:sc= -1.49 (180deg=-2.52!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.039 86.583 81.780 1.00 0.00 N ATOM 2 CA ARG A 6 53.801 86.929 82.537 1.00 0.00 C ATOM 3 C ARG A 6 53.565 88.444 82.510 1.00 0.00 C ATOM 4 O ARG A 6 52.444 88.905 82.635 1.00 0.00 O ATOM 5 CB ARG A 6 54.063 86.453 83.967 1.00 0.00 C ATOM 6 CG ARG A 6 54.070 84.923 84.001 1.00 0.00 C ATOM 7 CD ARG A 6 54.332 84.446 85.432 1.00 0.00 C ATOM 8 NE ARG A 6 54.319 82.958 85.353 1.00 0.00 N ATOM 9 CZ ARG A 6 54.137 82.249 86.433 1.00 0.00 C ATOM 10 NH1 ARG A 6 52.936 82.100 86.922 1.00 0.00 N ATOM 11 NH2 ARG A 6 55.156 81.690 87.026 1.00 0.00 N ATOM 0 HA ARG A 6 52.914 86.463 82.108 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.018 86.840 84.321 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.295 86.839 84.637 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.115 84.536 83.646 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.838 84.537 83.331 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.290 84.813 85.801 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.566 84.811 86.116 1.00 0.00 H new ATOM 0 HE ARG A 6 54.452 82.494 84.455 1.00 0.00 H new ATOM 0 HH11 ARG A 6 52.139 82.538 86.460 1.00 0.00 H new ATOM 0 HH12 ARG A 6 52.794 81.546 87.766 1.00 0.00 H new ATOM 0 HH21 ARG A 6 56.095 81.807 86.645 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.014 81.136 87.870 1.00 0.00 H new ATOM 25 N TYR A 7 54.611 89.218 82.349 1.00 31.93 N ATOM 26 CA TYR A 7 54.452 90.704 82.314 1.00 29.59 C ATOM 27 C TYR A 7 54.766 91.236 80.911 1.00 29.68 C ATOM 28 O TYR A 7 55.912 91.321 80.509 1.00 30.50 O ATOM 29 CB TYR A 7 55.463 91.241 83.331 1.00 27.35 C ATOM 30 CG TYR A 7 55.140 90.699 84.704 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.864 90.883 85.248 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.120 90.012 85.432 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.567 90.381 86.521 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.822 89.509 86.704 1.00 22.47 C ATOM 35 CZ TYR A 7 54.545 89.694 87.249 1.00 22.87 C ATOM 36 OH TYR A 7 54.252 89.198 88.503 1.00 25.71 O ATOM 0 H TYR A 7 55.568 88.884 82.240 1.00 31.93 H new ATOM 0 HA TYR A 7 53.435 91.014 82.552 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.473 90.950 83.043 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.437 92.331 83.344 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.108 91.412 84.686 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.105 89.870 85.012 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.582 90.524 86.941 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.577 88.978 87.265 1.00 22.47 H new ATOM 0 HH TYR A 7 55.042 88.748 88.869 1.00 25.71 H new ATOM 46 N ARG A 8 53.751 91.594 80.170 1.00 0.00 N ATOM 47 CA ARG A 8 53.964 92.127 78.789 1.00 0.00 C ATOM 48 C ARG A 8 52.846 93.109 78.429 1.00 0.00 C ATOM 49 O ARG A 8 51.677 92.831 78.608 1.00 0.00 O ATOM 50 CB ARG A 8 53.924 90.898 77.872 1.00 0.00 C ATOM 51 CG ARG A 8 55.329 90.608 77.334 1.00 0.00 C ATOM 52 CD ARG A 8 55.524 91.326 75.994 1.00 0.00 C ATOM 53 NE ARG A 8 56.885 91.930 76.070 1.00 0.00 N ATOM 54 CZ ARG A 8 57.492 92.308 74.977 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.830 92.941 74.047 1.00 0.00 N ATOM 56 NH2 ARG A 8 58.762 92.055 74.816 1.00 0.00 N ATOM 0 H ARG A 8 52.776 91.540 80.463 1.00 0.00 H new ATOM 0 HA ARG A 8 54.906 92.668 78.694 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.549 90.034 78.422 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.236 91.072 77.045 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.080 90.942 78.050 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.466 89.534 77.206 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.448 90.629 75.159 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.762 92.090 75.842 1.00 0.00 H new ATOM 0 HE ARG A 8 57.342 92.048 76.974 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.838 93.141 74.174 1.00 0.00 H new ATOM 0 HH12 ARG A 8 57.305 93.236 73.194 1.00 0.00 H new ATOM 0 HH21 ARG A 8 59.280 91.562 75.543 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.237 92.350 73.963 1.00 0.00 H new ATOM 70 N VAL A 9 53.205 94.259 77.922 1.00 0.00 N ATOM 71 CA VAL A 9 52.186 95.283 77.537 1.00 0.00 C ATOM 72 C VAL A 9 52.737 96.152 76.402 1.00 0.00 C ATOM 73 O VAL A 9 53.679 96.900 76.575 1.00 0.00 O ATOM 74 CB VAL A 9 51.947 96.129 78.795 1.00 0.00 C ATOM 75 CG1 VAL A 9 50.917 97.225 78.493 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.417 95.238 79.924 1.00 0.00 C ATOM 0 H VAL A 9 54.172 94.537 77.756 1.00 0.00 H new ATOM 0 HA VAL A 9 51.259 94.829 77.185 1.00 0.00 H new ATOM 0 HB VAL A 9 52.888 96.586 79.101 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.750 97.824 79.388 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.290 97.865 77.693 1.00 0.00 H new ATOM 0 HG13 VAL A 9 49.978 96.766 78.183 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.248 95.842 80.816 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.478 94.778 79.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.147 94.459 80.146 1.00 0.00 H new ATOM 86 N GLU A 10 52.131 96.069 75.247 1.00 0.00 N ATOM 87 CA GLU A 10 52.565 96.890 74.080 1.00 0.00 C ATOM 88 C GLU A 10 51.543 97.994 73.810 1.00 0.00 C ATOM 89 O GLU A 10 50.354 97.754 73.717 1.00 0.00 O ATOM 90 CB GLU A 10 52.616 95.912 72.906 1.00 0.00 C ATOM 91 CG GLU A 10 53.916 95.108 72.966 1.00 0.00 C ATOM 92 CD GLU A 10 53.967 94.129 71.792 1.00 0.00 C ATOM 93 OE1 GLU A 10 54.475 94.509 70.751 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.497 93.015 71.954 1.00 0.00 O ATOM 0 H GLU A 10 51.338 95.455 75.061 1.00 0.00 H new ATOM 0 HA GLU A 10 53.526 97.376 74.248 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.759 95.240 72.942 1.00 0.00 H new ATOM 0 HB3 GLU A 10 52.556 96.456 71.963 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.773 95.780 72.930 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.976 94.565 73.909 1.00 0.00 H new ATOM 101 N VAL A 11 52.014 99.206 73.683 1.00 26.88 N ATOM 102 CA VAL A 11 51.104 100.358 73.418 1.00 26.83 C ATOM 103 C VAL A 11 51.446 100.980 72.061 1.00 27.58 C ATOM 104 O VAL A 11 52.602 101.111 71.705 1.00 28.21 O ATOM 105 CB VAL A 11 51.365 101.351 74.554 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.464 102.576 74.383 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.062 100.685 75.899 1.00 25.75 C ATOM 0 H VAL A 11 53.002 99.449 73.752 1.00 26.88 H new ATOM 0 HA VAL A 11 50.055 100.063 73.383 1.00 26.83 H new ATOM 0 HB VAL A 11 52.410 101.660 74.527 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.651 103.281 75.193 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.678 103.055 73.428 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.419 102.266 74.407 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.248 101.394 76.706 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.018 100.373 75.924 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.704 99.813 76.026 1.00 25.75 H new ATOM 117 N GLU A 12 50.452 101.361 71.302 1.00 0.00 N ATOM 118 CA GLU A 12 50.708 101.973 69.965 1.00 0.00 C ATOM 119 C GLU A 12 50.112 103.383 69.911 1.00 0.00 C ATOM 120 O GLU A 12 49.013 103.621 70.372 1.00 0.00 O ATOM 121 CB GLU A 12 49.998 101.053 68.969 1.00 0.00 C ATOM 122 CG GLU A 12 50.241 101.556 67.542 1.00 0.00 C ATOM 123 CD GLU A 12 49.533 100.641 66.533 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.231 99.511 66.886 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.309 101.087 65.420 1.00 0.00 O ATOM 0 H GLU A 12 49.467 101.274 71.553 1.00 0.00 H new ATOM 0 HA GLU A 12 51.772 102.067 69.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.367 100.033 69.074 1.00 0.00 H new ATOM 0 HB3 GLU A 12 48.929 101.028 69.180 1.00 0.00 H new ATOM 0 HG2 GLU A 12 49.873 102.577 67.440 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.311 101.581 67.334 1.00 0.00 H new ATOM 132 N VAL A 13 50.841 104.313 69.354 1.00 26.55 N ATOM 133 CA VAL A 13 50.342 105.718 69.262 1.00 26.45 C ATOM 134 C VAL A 13 50.433 106.214 67.816 1.00 27.95 C ATOM 135 O VAL A 13 51.419 106.002 67.136 1.00 27.94 O ATOM 136 CB VAL A 13 51.266 106.532 70.174 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.841 108.003 70.161 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.184 105.995 71.605 1.00 26.97 C ATOM 0 H VAL A 13 51.767 104.159 68.956 1.00 26.55 H new ATOM 0 HA VAL A 13 49.298 105.808 69.563 1.00 26.45 H new ATOM 0 HB VAL A 13 52.290 106.446 69.811 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.501 108.578 70.811 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.904 108.391 69.144 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.815 108.088 70.519 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.843 106.577 72.250 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.159 106.076 71.966 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.492 104.950 71.620 1.00 26.97 H new ATOM 148 N SER A 14 49.400 106.873 67.348 1.00 0.00 N ATOM 149 CA SER A 14 49.406 107.391 65.948 1.00 0.00 C ATOM 150 C SER A 14 49.127 108.903 65.935 1.00 0.00 C ATOM 151 O SER A 14 47.998 109.321 66.112 1.00 0.00 O ATOM 152 CB SER A 14 48.288 106.630 65.239 1.00 0.00 C ATOM 153 OG SER A 14 48.565 105.236 65.287 1.00 0.00 O ATOM 0 H SER A 14 48.552 107.074 67.878 1.00 0.00 H new ATOM 0 HA SER A 14 50.370 107.246 65.460 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.331 106.839 65.716 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.207 106.961 64.204 1.00 0.00 H new ATOM 0 HG SER A 14 47.848 104.744 64.834 1.00 0.00 H new ATOM 159 N PRO A 15 50.170 109.674 65.726 1.00 28.75 N ATOM 160 CA PRO A 15 49.983 111.153 65.694 1.00 30.20 C ATOM 161 C PRO A 15 49.535 111.618 64.303 1.00 33.00 C ATOM 162 O PRO A 15 49.637 110.900 63.326 1.00 32.76 O ATOM 163 CB PRO A 15 51.361 111.714 66.028 1.00 29.34 C ATOM 164 CG PRO A 15 52.319 110.647 65.624 1.00 29.59 C ATOM 165 CD PRO A 15 51.606 109.331 65.782 1.00 28.91 C ATOM 0 HA PRO A 15 49.214 111.488 66.390 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.552 112.641 65.487 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.448 111.941 67.091 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.642 110.789 64.593 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.214 110.677 66.245 1.00 29.59 H new ATOM 0 HD2 PRO A 15 51.878 108.635 64.988 1.00 28.91 H new ATOM 0 HD3 PRO A 15 51.862 108.853 66.727 1.00 28.91 H new ATOM 173 N ARG A 16 49.036 112.825 64.223 1.00 34.77 N ATOM 174 CA ARG A 16 48.563 113.383 62.919 1.00 37.64 C ATOM 175 C ARG A 16 48.586 114.915 62.973 1.00 38.99 C ATOM 176 O ARG A 16 48.124 115.527 63.919 1.00 38.96 O ATOM 177 CB ARG A 16 47.133 112.860 62.734 1.00 40.22 C ATOM 178 CG ARG A 16 46.257 113.291 63.913 1.00 43.41 C ATOM 179 CD ARG A 16 44.846 112.726 63.734 1.00 47.90 C ATOM 180 NE ARG A 16 44.084 113.214 64.918 1.00 51.85 N ATOM 181 CZ ARG A 16 43.090 112.511 65.387 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.302 111.310 65.852 1.00 54.10 N ATOM 183 NH2 ARG A 16 41.884 113.009 65.393 1.00 53.27 N ATOM 0 H ARG A 16 48.935 113.457 65.017 1.00 34.77 H new ATOM 0 HA ARG A 16 49.199 113.081 62.087 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.716 113.242 61.802 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.143 111.773 62.657 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.687 112.934 64.849 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.220 114.379 63.974 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.396 113.074 62.804 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.859 111.637 63.694 1.00 47.90 H new ATOM 0 HE ARG A 16 44.339 114.097 65.361 1.00 51.85 H new ATOM 0 HH11 ARG A 16 44.245 110.921 65.849 1.00 54.10 H new ATOM 0 HH12 ARG A 16 42.525 110.761 66.219 1.00 54.10 H new ATOM 0 HH21 ARG A 16 41.718 113.948 65.031 1.00 53.27 H new ATOM 0 HH22 ARG A 16 41.107 112.459 65.760 1.00 53.27 H new ATOM 197 N PHE A 17 49.147 115.528 61.963 1.00 0.00 N ATOM 198 CA PHE A 17 49.246 117.022 61.929 1.00 0.00 C ATOM 199 C PHE A 17 47.856 117.670 61.975 1.00 0.00 C ATOM 200 O PHE A 17 46.925 117.214 61.338 1.00 0.00 O ATOM 201 CB PHE A 17 49.935 117.339 60.598 1.00 0.00 C ATOM 202 CG PHE A 17 50.239 118.816 60.522 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.277 119.353 61.293 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.492 119.647 59.680 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.569 120.719 61.222 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.785 121.016 59.609 1.00 0.00 C ATOM 207 CZ PHE A 17 50.822 121.551 60.380 1.00 0.00 C ATOM 0 H PHE A 17 49.545 115.055 61.152 1.00 0.00 H new ATOM 0 HA PHE A 17 49.795 117.409 62.787 1.00 0.00 H new ATOM 0 HB2 PHE A 17 50.856 116.763 60.508 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.294 117.047 59.767 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.853 118.712 61.943 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.690 119.234 59.085 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.371 121.132 61.817 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.210 121.658 58.959 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.046 122.606 60.326 1.00 0.00 H new ATOM 217 N LEU A 18 47.718 118.734 62.725 1.00 0.00 N ATOM 218 CA LEU A 18 46.398 119.431 62.823 1.00 0.00 C ATOM 219 C LEU A 18 46.497 120.850 62.251 1.00 0.00 C ATOM 220 O LEU A 18 46.561 121.830 62.965 1.00 0.00 O ATOM 221 CB LEU A 18 46.061 119.461 64.315 1.00 0.00 C ATOM 222 CG LEU A 18 44.543 119.421 64.498 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.003 118.077 64.010 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.205 119.597 65.980 1.00 0.00 C ATOM 0 H LEU A 18 48.467 119.153 63.277 1.00 0.00 H new ATOM 0 HA LEU A 18 45.623 118.920 62.251 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.521 118.611 64.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.469 120.362 64.772 1.00 0.00 H new ATOM 0 HG LEU A 18 44.087 120.225 63.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.921 118.050 64.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.244 117.950 62.955 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.458 117.271 64.586 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.123 119.569 66.112 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.662 118.792 66.556 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.588 120.556 66.329 1.00 0.00 H new ATOM 236 N ALA A 19 46.481 120.941 60.948 1.00 0.00 N ATOM 237 CA ALA A 19 46.542 122.267 60.251 1.00 0.00 C ATOM 238 C ALA A 19 45.226 123.036 60.411 1.00 0.00 C ATOM 239 O ALA A 19 45.224 124.250 60.505 1.00 0.00 O ATOM 240 CB ALA A 19 46.747 121.915 58.776 1.00 0.00 C ATOM 0 H ALA A 19 46.427 120.138 60.322 1.00 0.00 H new ATOM 0 HA ALA A 19 47.331 122.899 60.658 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.803 122.831 58.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.674 121.353 58.662 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.910 121.310 58.427 1.00 0.00 H new ATOM 246 N HIS A 20 44.111 122.350 60.422 1.00 0.00 N ATOM 247 CA HIS A 20 42.798 123.058 60.553 1.00 0.00 C ATOM 248 C HIS A 20 42.651 123.684 61.944 1.00 0.00 C ATOM 249 O HIS A 20 41.908 124.630 62.126 1.00 0.00 O ATOM 250 CB HIS A 20 41.730 121.989 60.318 1.00 0.00 C ATOM 251 CG HIS A 20 40.377 122.642 60.234 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.010 123.447 59.167 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.293 122.619 61.076 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.753 123.870 59.392 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.269 123.394 60.543 1.00 0.00 N ATOM 0 H HIS A 20 44.051 121.335 60.346 1.00 0.00 H new ATOM 0 HA HIS A 20 42.710 123.876 59.838 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.941 121.445 59.397 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.744 121.261 61.129 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.243 122.080 62.011 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.202 124.516 58.724 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.347 123.563 60.944 1.00 0.00 H new ATOM 263 N GLN A 21 43.347 123.166 62.924 1.00 51.13 N ATOM 264 CA GLN A 21 43.240 123.737 64.301 1.00 51.59 C ATOM 265 C GLN A 21 44.615 124.195 64.798 1.00 51.55 C ATOM 266 O GLN A 21 44.968 123.985 65.942 1.00 51.24 O ATOM 267 CB GLN A 21 42.710 122.594 65.165 1.00 52.27 C ATOM 268 CG GLN A 21 41.253 122.305 64.793 1.00 52.27 C ATOM 269 CD GLN A 21 40.721 121.160 65.657 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.210 120.924 66.744 1.00 52.37 O ATOM 271 NE2 GLN A 21 39.732 120.432 65.215 1.00 51.79 N ATOM 0 H GLN A 21 43.983 122.374 62.831 1.00 51.13 H new ATOM 0 HA GLN A 21 42.587 124.609 64.334 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.318 121.701 65.018 1.00 52.27 H new ATOM 0 HB3 GLN A 21 42.781 122.858 66.220 1.00 52.27 H new ATOM 0 HG2 GLN A 21 40.645 123.198 64.940 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.182 122.041 63.738 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.321 120.630 64.303 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.370 119.665 65.782 1.00 51.79 H new ATOM 280 N SER A 22 45.391 124.820 63.945 1.00 52.26 N ATOM 281 CA SER A 22 46.743 125.292 64.370 1.00 52.76 C ATOM 282 C SER A 22 47.296 126.321 63.379 1.00 51.68 C ATOM 283 O SER A 22 46.999 126.283 62.200 1.00 52.15 O ATOM 284 CB SER A 22 47.615 124.040 64.374 1.00 53.63 C ATOM 285 OG SER A 22 48.879 124.352 64.947 1.00 55.19 O ATOM 0 H SER A 22 45.146 125.022 62.976 1.00 52.26 H new ATOM 0 HA SER A 22 46.714 125.780 65.344 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.130 123.247 64.943 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.745 123.669 63.357 1.00 53.63 H new ATOM 0 HG SER A 22 48.944 125.319 65.090 1.00 55.19 H new ATOM 291 N THR A 23 48.119 127.223 63.850 1.00 0.00 N ATOM 292 CA THR A 23 48.724 128.246 62.943 1.00 0.00 C ATOM 293 C THR A 23 50.257 128.153 63.025 1.00 0.00 C ATOM 294 O THR A 23 50.869 128.725 63.906 1.00 0.00 O ATOM 295 CB THR A 23 48.203 129.615 63.422 1.00 0.00 C ATOM 296 OG1 THR A 23 48.755 130.634 62.601 1.00 0.00 O ATOM 297 CG2 THR A 23 48.591 129.881 64.881 1.00 0.00 C ATOM 0 H THR A 23 48.399 127.295 64.828 1.00 0.00 H new ATOM 0 HA THR A 23 48.451 128.092 61.899 1.00 0.00 H new ATOM 0 HB THR A 23 47.115 129.612 63.352 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.427 131.508 62.899 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.208 130.854 65.188 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.164 129.106 65.518 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.677 129.872 64.976 1.00 0.00 H new ATOM 305 N PRO A 24 50.827 127.403 62.107 1.00 49.88 N ATOM 306 CA PRO A 24 52.310 127.234 62.132 1.00 51.02 C ATOM 307 C PRO A 24 53.030 128.554 61.835 1.00 51.50 C ATOM 308 O PRO A 24 54.180 128.730 62.192 1.00 51.57 O ATOM 309 CB PRO A 24 52.585 126.219 61.026 1.00 51.23 C ATOM 310 CG PRO A 24 51.435 126.354 60.089 1.00 51.05 C ATOM 311 CD PRO A 24 50.246 126.743 60.920 1.00 49.44 C ATOM 0 HA PRO A 24 52.669 126.911 63.109 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.530 126.427 60.524 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.652 125.207 61.426 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.641 127.109 59.330 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.251 125.416 59.564 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.584 127.416 60.375 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.654 125.871 61.200 1.00 49.44 H new ATOM 319 N ASP A 25 52.373 129.475 61.176 1.00 0.00 N ATOM 320 CA ASP A 25 53.034 130.776 60.845 1.00 0.00 C ATOM 321 C ASP A 25 53.367 131.559 62.122 1.00 0.00 C ATOM 322 O ASP A 25 54.252 132.395 62.125 1.00 0.00 O ATOM 323 CB ASP A 25 52.031 131.541 59.979 1.00 0.00 C ATOM 324 CG ASP A 25 52.708 132.778 59.385 1.00 0.00 C ATOM 325 OD1 ASP A 25 52.994 133.692 60.140 1.00 0.00 O ATOM 326 OD2 ASP A 25 52.931 132.788 58.186 1.00 0.00 O ATOM 0 H ASP A 25 51.410 129.384 60.853 1.00 0.00 H new ATOM 0 HA ASP A 25 53.978 130.625 60.322 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.659 130.898 59.181 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.169 131.837 60.577 1.00 0.00 H new ATOM 331 N GLU A 26 52.668 131.303 63.199 1.00 0.00 N ATOM 332 CA GLU A 26 52.951 132.043 64.469 1.00 0.00 C ATOM 333 C GLU A 26 53.680 131.139 65.473 1.00 0.00 C ATOM 334 O GLU A 26 53.638 131.368 66.668 1.00 0.00 O ATOM 335 CB GLU A 26 51.577 132.444 65.005 1.00 0.00 C ATOM 336 CG GLU A 26 51.737 133.551 66.053 1.00 0.00 C ATOM 337 CD GLU A 26 50.362 133.963 66.598 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.371 133.704 65.932 1.00 0.00 O ATOM 339 OE2 GLU A 26 50.326 134.532 67.677 1.00 0.00 O ATOM 0 H GLU A 26 51.916 130.616 63.255 1.00 0.00 H new ATOM 0 HA GLU A 26 53.596 132.906 64.305 1.00 0.00 H new ATOM 0 HB2 GLU A 26 50.944 132.791 64.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.081 131.580 65.447 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.371 133.202 66.868 1.00 0.00 H new ATOM 0 HG3 GLU A 26 52.235 134.413 65.610 1.00 0.00 H new ATOM 346 N GLY A 27 54.346 130.115 64.998 1.00 0.00 N ATOM 347 CA GLY A 27 55.078 129.194 65.920 1.00 0.00 C ATOM 348 C GLY A 27 54.074 128.403 66.763 1.00 0.00 C ATOM 349 O GLY A 27 54.356 128.017 67.882 1.00 0.00 O ATOM 0 H GLY A 27 54.414 129.877 64.008 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.704 128.511 65.346 1.00 0.00 H new ATOM 0 HA3 GLY A 27 55.742 129.765 66.569 1.00 0.00 H new ATOM 353 N ARG A 28 52.905 128.161 66.228 1.00 0.00 N ATOM 354 CA ARG A 28 51.870 127.396 66.984 1.00 0.00 C ATOM 355 C ARG A 28 51.464 126.145 66.202 1.00 0.00 C ATOM 356 O ARG A 28 50.573 126.187 65.371 1.00 0.00 O ATOM 357 CB ARG A 28 50.690 128.354 67.124 1.00 0.00 C ATOM 358 CG ARG A 28 49.592 127.694 67.960 1.00 0.00 C ATOM 359 CD ARG A 28 48.515 128.729 68.300 1.00 0.00 C ATOM 360 NE ARG A 28 47.510 127.985 69.106 1.00 0.00 N ATOM 361 CZ ARG A 28 47.604 127.960 70.408 1.00 0.00 C ATOM 362 NH1 ARG A 28 47.352 129.038 71.101 1.00 0.00 N ATOM 363 NH2 ARG A 28 47.952 126.860 71.017 1.00 0.00 N ATOM 0 H ARG A 28 52.622 128.462 65.295 1.00 0.00 H new ATOM 0 HA ARG A 28 52.232 127.058 67.955 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.015 129.281 67.597 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.303 128.617 66.140 1.00 0.00 H new ATOM 0 HG2 ARG A 28 49.151 126.863 67.409 1.00 0.00 H new ATOM 0 HG3 ARG A 28 50.016 127.281 68.875 1.00 0.00 H new ATOM 0 HD2 ARG A 28 48.933 129.564 68.863 1.00 0.00 H new ATOM 0 HD3 ARG A 28 48.068 129.145 67.397 1.00 0.00 H new ATOM 0 HE ARG A 28 46.747 127.494 68.641 1.00 0.00 H new ATOM 0 HH11 ARG A 28 47.082 129.899 70.625 1.00 0.00 H new ATOM 0 HH12 ARG A 28 47.425 129.019 72.118 1.00 0.00 H new ATOM 0 HH21 ARG A 28 48.151 126.019 70.476 1.00 0.00 H new ATOM 0 HH22 ARG A 28 48.025 126.841 72.034 1.00 0.00 H new ATOM 377 N TYR A 29 52.099 125.031 66.470 1.00 46.07 N ATOM 378 CA TYR A 29 51.744 123.767 65.753 1.00 43.41 C ATOM 379 C TYR A 29 50.937 122.868 66.695 1.00 41.37 C ATOM 380 O TYR A 29 51.296 122.685 67.843 1.00 39.95 O ATOM 381 CB TYR A 29 53.078 123.098 65.399 1.00 43.56 C ATOM 382 CG TYR A 29 53.958 124.048 64.616 1.00 42.53 C ATOM 383 CD1 TYR A 29 54.744 124.988 65.294 1.00 41.55 C ATOM 384 CD2 TYR A 29 53.995 123.983 63.219 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.565 125.865 64.575 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.817 124.861 62.499 1.00 42.98 C ATOM 387 CZ TYR A 29 55.602 125.801 63.177 1.00 43.35 C ATOM 388 OH TYR A 29 56.412 126.665 62.469 1.00 43.13 O ATOM 0 H TYR A 29 52.849 124.942 67.155 1.00 46.07 H new ATOM 0 HA TYR A 29 51.145 123.951 64.861 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.589 122.788 66.311 1.00 43.56 H new ATOM 0 HB3 TYR A 29 52.895 122.197 64.814 1.00 43.56 H new ATOM 0 HD1 TYR A 29 54.717 125.036 66.373 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.391 123.257 62.696 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.170 126.591 65.099 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.845 124.812 61.420 1.00 42.98 H new ATOM 0 HH TYR A 29 55.906 127.471 62.236 1.00 43.13 H new ATOM 398 N ALA A 30 49.844 122.318 66.224 1.00 0.00 N ATOM 399 CA ALA A 30 49.016 121.445 67.112 1.00 0.00 C ATOM 400 C ALA A 30 48.987 120.005 66.591 1.00 0.00 C ATOM 401 O ALA A 30 48.521 119.739 65.500 1.00 0.00 O ATOM 402 CB ALA A 30 47.616 122.058 67.085 1.00 0.00 C ATOM 0 H ALA A 30 49.493 122.434 65.273 1.00 0.00 H new ATOM 0 HA ALA A 30 49.421 121.398 68.123 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.949 121.470 67.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.660 123.081 67.458 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.239 122.060 66.062 1.00 0.00 H new ATOM 408 N PHE A 31 49.473 119.076 67.375 1.00 36.58 N ATOM 409 CA PHE A 31 49.467 117.645 66.948 1.00 36.29 C ATOM 410 C PHE A 31 48.534 116.840 67.854 1.00 35.25 C ATOM 411 O PHE A 31 48.585 116.964 69.063 1.00 34.09 O ATOM 412 CB PHE A 31 50.906 117.157 67.128 1.00 36.39 C ATOM 413 CG PHE A 31 51.818 117.846 66.142 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.367 119.096 66.452 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.119 117.233 64.920 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.219 119.731 65.542 1.00 37.40 C ATOM 417 CE2 PHE A 31 52.970 117.869 64.009 1.00 37.25 C ATOM 418 CZ PHE A 31 53.520 119.118 64.320 1.00 36.45 C ATOM 0 H PHE A 31 49.875 119.249 68.296 1.00 36.58 H new ATOM 0 HA PHE A 31 49.122 117.528 65.921 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.241 117.358 68.146 1.00 36.39 H new ATOM 0 HB3 PHE A 31 50.952 116.078 66.984 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.133 119.570 67.394 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.695 116.269 64.680 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.645 120.694 65.782 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.202 117.396 63.066 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.177 119.609 63.617 1.00 36.45 H new ATOM 428 N ALA A 32 47.699 116.002 67.292 1.00 34.06 N ATOM 429 CA ALA A 32 46.783 115.173 68.131 1.00 32.35 C ATOM 430 C ALA A 32 47.195 113.706 67.998 1.00 31.25 C ATOM 431 O ALA A 32 47.419 113.227 66.902 1.00 31.96 O ATOM 432 CB ALA A 32 45.388 115.399 67.546 1.00 32.65 C ATOM 0 H ALA A 32 47.613 115.857 66.286 1.00 34.06 H new ATOM 0 HA ALA A 32 46.813 115.436 69.188 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.658 114.820 68.112 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.136 116.458 67.605 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.374 115.080 66.504 1.00 32.65 H new ATOM 438 N TYR A 33 47.323 112.993 69.091 1.00 29.03 N ATOM 439 CA TYR A 33 47.749 111.561 68.983 1.00 27.15 C ATOM 440 C TYR A 33 46.806 110.635 69.759 1.00 26.72 C ATOM 441 O TYR A 33 46.298 110.986 70.808 1.00 28.24 O ATOM 442 CB TYR A 33 49.184 111.518 69.538 1.00 26.09 C ATOM 443 CG TYR A 33 49.208 111.744 71.036 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.026 113.027 71.561 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.429 110.662 71.896 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.061 113.226 72.945 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.468 110.862 73.279 1.00 25.85 C ATOM 448 CZ TYR A 33 49.282 112.143 73.805 1.00 27.60 C ATOM 449 OH TYR A 33 49.324 112.341 75.170 1.00 28.81 O ATOM 0 H TYR A 33 47.154 113.332 70.038 1.00 29.03 H new ATOM 0 HA TYR A 33 47.713 111.206 67.953 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.635 110.553 69.307 1.00 26.09 H new ATOM 0 HB3 TYR A 33 49.789 112.279 69.045 1.00 26.09 H new ATOM 0 HD1 TYR A 33 48.859 113.863 70.899 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.570 109.671 71.490 1.00 25.37 H new ATOM 0 HE1 TYR A 33 48.917 114.216 73.351 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.642 110.026 73.941 1.00 25.85 H new ATOM 0 HH TYR A 33 48.413 112.320 75.532 1.00 28.81 H new ATOM 459 N SER A 34 46.577 109.453 69.245 1.00 0.00 N ATOM 460 CA SER A 34 45.674 108.488 69.940 1.00 0.00 C ATOM 461 C SER A 34 46.505 107.399 70.620 1.00 0.00 C ATOM 462 O SER A 34 47.491 106.934 70.084 1.00 0.00 O ATOM 463 CB SER A 34 44.801 107.892 68.837 1.00 0.00 C ATOM 464 OG SER A 34 43.903 108.885 68.360 1.00 0.00 O ATOM 0 H SER A 34 46.978 109.114 68.371 1.00 0.00 H new ATOM 0 HA SER A 34 45.073 108.964 70.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.425 107.527 68.021 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.245 107.036 69.220 1.00 0.00 H new ATOM 0 HG SER A 34 43.343 108.506 67.651 1.00 0.00 H new ATOM 470 N ILE A 35 46.119 107.005 71.805 1.00 0.00 N ATOM 471 CA ILE A 35 46.882 105.957 72.549 1.00 0.00 C ATOM 472 C ILE A 35 46.145 104.613 72.542 1.00 0.00 C ATOM 473 O ILE A 35 44.962 104.531 72.810 1.00 0.00 O ATOM 474 CB ILE A 35 46.969 106.513 73.981 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.774 107.825 73.972 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.654 105.498 74.908 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.199 107.574 73.454 1.00 0.00 C ATOM 0 H ILE A 35 45.301 107.367 72.294 1.00 0.00 H new ATOM 0 HA ILE A 35 47.857 105.763 72.102 1.00 0.00 H new ATOM 0 HB ILE A 35 45.960 106.701 74.349 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.275 108.561 73.342 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.814 108.242 74.978 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.708 105.906 75.917 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.080 104.572 74.921 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.661 105.295 74.544 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.756 108.511 73.453 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.700 106.854 74.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.153 107.179 72.439 1.00 0.00 H new ATOM 489 N ARG A 36 46.861 103.564 72.231 1.00 25.30 N ATOM 490 CA ARG A 36 46.251 102.202 72.193 1.00 25.64 C ATOM 491 C ARG A 36 47.018 101.266 73.131 1.00 23.79 C ATOM 492 O ARG A 36 48.053 100.730 72.786 1.00 25.11 O ATOM 493 CB ARG A 36 46.392 101.747 70.740 1.00 28.66 C ATOM 494 CG ARG A 36 45.624 100.439 70.535 1.00 34.24 C ATOM 495 CD ARG A 36 45.767 99.986 69.081 1.00 37.45 C ATOM 496 NE ARG A 36 44.954 98.743 68.983 1.00 40.12 N ATOM 497 CZ ARG A 36 44.212 98.530 67.931 1.00 40.24 C ATOM 498 NH1 ARG A 36 43.041 99.100 67.831 1.00 39.07 N ATOM 499 NH2 ARG A 36 44.640 97.748 66.978 1.00 39.81 N ATOM 0 H ARG A 36 47.854 103.594 71.999 1.00 25.30 H new ATOM 0 HA ARG A 36 45.210 102.198 72.517 1.00 25.64 H new ATOM 0 HB2 ARG A 36 46.008 102.515 70.069 1.00 28.66 H new ATOM 0 HB3 ARG A 36 47.444 101.605 70.493 1.00 28.66 H new ATOM 0 HG2 ARG A 36 46.008 99.670 71.206 1.00 34.24 H new ATOM 0 HG3 ARG A 36 44.572 100.580 70.781 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.405 100.750 68.392 1.00 37.45 H new ATOM 0 HD3 ARG A 36 46.810 99.796 68.827 1.00 37.45 H new ATOM 0 HE ARG A 36 44.977 98.058 69.738 1.00 40.12 H new ATOM 0 HH11 ARG A 36 42.706 99.712 68.575 1.00 39.07 H new ATOM 0 HH12 ARG A 36 42.461 98.933 67.009 1.00 39.07 H new ATOM 0 HH21 ARG A 36 45.555 97.303 67.055 1.00 39.81 H new ATOM 0 HH22 ARG A 36 44.060 97.582 66.156 1.00 39.81 H new ATOM 513 N ILE A 37 46.508 101.076 74.318 1.00 20.73 N ATOM 514 CA ILE A 37 47.182 100.186 75.314 1.00 18.17 C ATOM 515 C ILE A 37 46.658 98.751 75.191 1.00 17.71 C ATOM 516 O ILE A 37 45.496 98.487 75.423 1.00 15.34 O ATOM 517 CB ILE A 37 46.807 100.774 76.682 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.288 102.228 76.769 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.472 99.958 77.798 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.679 102.894 78.004 1.00 16.07 C ATOM 0 H ILE A 37 45.642 101.504 74.646 1.00 20.73 H new ATOM 0 HA ILE A 37 48.261 100.143 75.163 1.00 18.17 H new ATOM 0 HB ILE A 37 45.724 100.738 76.799 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.376 102.259 76.825 1.00 14.77 H new ATOM 0 HG13 ILE A 37 46.999 102.772 75.870 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.203 100.379 78.767 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.132 98.924 77.745 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.555 99.990 77.677 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.021 103.927 78.066 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.592 102.875 77.929 1.00 16.07 H new ATOM 0 HD13 ILE A 37 46.990 102.355 78.899 1.00 16.07 H new ATOM 532 N GLN A 38 47.517 97.821 74.847 1.00 0.00 N ATOM 533 CA GLN A 38 47.084 96.394 74.729 1.00 0.00 C ATOM 534 C GLN A 38 47.855 95.541 75.743 1.00 0.00 C ATOM 535 O GLN A 38 49.052 95.686 75.914 1.00 0.00 O ATOM 536 CB GLN A 38 47.412 95.982 73.292 1.00 0.00 C ATOM 537 CG GLN A 38 47.003 94.521 73.069 1.00 0.00 C ATOM 538 CD GLN A 38 47.325 94.103 71.629 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.661 94.926 70.800 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.235 92.844 71.296 1.00 0.00 N ATOM 0 H GLN A 38 48.502 97.990 74.643 1.00 0.00 H new ATOM 0 HA GLN A 38 46.023 96.259 74.938 1.00 0.00 H new ATOM 0 HB2 GLN A 38 46.887 96.628 72.589 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.478 96.105 73.102 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.531 93.875 73.771 1.00 0.00 H new ATOM 0 HG3 GLN A 38 45.937 94.399 73.263 1.00 0.00 H new ATOM 0 HE21 GLN A 38 46.953 92.152 71.990 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.446 92.553 70.342 1.00 0.00 H new ATOM 549 N ASN A 39 47.163 94.663 76.426 1.00 15.86 N ATOM 550 CA ASN A 39 47.832 93.803 77.449 1.00 17.88 C ATOM 551 C ASN A 39 48.281 92.474 76.835 1.00 18.37 C ATOM 552 O ASN A 39 47.469 91.684 76.388 1.00 18.69 O ATOM 553 CB ASN A 39 46.781 93.571 78.538 1.00 19.10 C ATOM 554 CG ASN A 39 47.418 92.827 79.715 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.260 91.972 79.526 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.047 93.119 80.931 1.00 19.13 N ATOM 0 H ASN A 39 46.161 94.505 76.318 1.00 15.86 H new ATOM 0 HA ASN A 39 48.729 94.277 77.848 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.374 94.525 78.874 1.00 19.10 H new ATOM 0 HB3 ASN A 39 45.948 92.993 78.137 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.464 92.629 81.723 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.340 93.837 81.090 1.00 19.13 H new ATOM 563 N ALA A 40 49.562 92.212 76.829 1.00 0.00 N ATOM 564 CA ALA A 40 50.069 90.923 76.269 1.00 0.00 C ATOM 565 C ALA A 40 50.696 90.063 77.381 1.00 0.00 C ATOM 566 O ALA A 40 51.312 89.049 77.111 1.00 0.00 O ATOM 567 CB ALA A 40 51.119 91.318 75.231 1.00 0.00 C ATOM 0 H ALA A 40 50.282 92.838 77.189 1.00 0.00 H new ATOM 0 HA ALA A 40 49.270 90.328 75.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.537 90.420 74.776 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.655 91.933 74.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 51.915 91.883 75.716 1.00 0.00 H new ATOM 573 N GLY A 41 50.540 90.453 78.628 1.00 27.60 N ATOM 574 CA GLY A 41 51.120 89.653 79.746 1.00 28.62 C ATOM 575 C GLY A 41 50.148 88.536 80.127 1.00 29.10 C ATOM 576 O GLY A 41 49.041 88.471 79.626 1.00 28.18 O ATOM 0 H GLY A 41 50.035 91.292 78.914 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.079 89.230 79.446 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.310 90.294 80.607 1.00 28.62 H new ATOM 580 N ALA A 42 50.554 87.658 81.009 1.00 0.00 N ATOM 581 CA ALA A 42 49.654 86.542 81.428 1.00 0.00 C ATOM 582 C ALA A 42 48.749 86.995 82.574 1.00 0.00 C ATOM 583 O ALA A 42 47.631 86.536 82.721 1.00 0.00 O ATOM 584 CB ALA A 42 50.595 85.432 81.896 1.00 0.00 C ATOM 0 H ALA A 42 51.470 87.666 81.457 1.00 0.00 H new ATOM 0 HA ALA A 42 49.001 86.211 80.620 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.010 84.572 82.222 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.247 85.137 81.074 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.201 85.795 82.727 1.00 0.00 H new ATOM 590 N VAL A 43 49.238 87.890 83.387 1.00 0.00 N ATOM 591 CA VAL A 43 48.436 88.392 84.545 1.00 0.00 C ATOM 592 C VAL A 43 47.948 89.824 84.268 1.00 0.00 C ATOM 593 O VAL A 43 48.671 90.623 83.708 1.00 0.00 O ATOM 594 CB VAL A 43 49.409 88.352 85.731 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.735 88.898 86.990 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.846 86.907 85.981 1.00 0.00 C ATOM 0 H VAL A 43 50.168 88.301 83.300 1.00 0.00 H new ATOM 0 HA VAL A 43 47.543 87.796 84.735 1.00 0.00 H new ATOM 0 HB VAL A 43 50.276 88.969 85.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.437 88.863 87.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.425 89.929 86.819 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.861 88.291 87.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.537 86.876 86.823 1.00 0.00 H new ATOM 0 HG22 VAL A 43 48.972 86.296 86.207 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.341 86.517 85.091 1.00 0.00 H new ATOM 606 N PRO A 44 46.719 90.100 84.667 1.00 21.08 N ATOM 607 CA PRO A 44 46.167 91.473 84.424 1.00 21.01 C ATOM 608 C PRO A 44 47.094 92.563 84.979 1.00 21.95 C ATOM 609 O PRO A 44 47.787 92.368 85.964 1.00 21.40 O ATOM 610 CB PRO A 44 44.825 91.469 85.155 1.00 20.53 C ATOM 611 CG PRO A 44 44.974 90.414 86.192 1.00 18.90 C ATOM 612 CD PRO A 44 45.821 89.347 85.563 1.00 19.89 C ATOM 0 HA PRO A 44 46.067 91.694 83.361 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.613 92.440 85.603 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.003 91.245 84.475 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.447 90.811 87.090 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.003 90.018 86.491 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.380 88.786 86.312 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.216 88.628 85.012 1.00 19.89 H new ATOM 620 N ALA A 45 47.112 93.706 84.339 1.00 20.91 N ATOM 621 CA ALA A 45 47.995 94.820 84.797 1.00 19.47 C ATOM 622 C ALA A 45 47.272 96.171 84.728 1.00 19.21 C ATOM 623 O ALA A 45 46.393 96.385 83.913 1.00 19.53 O ATOM 624 CB ALA A 45 49.166 94.802 83.816 1.00 18.37 C ATOM 0 H ALA A 45 46.549 93.915 83.514 1.00 20.91 H new ATOM 0 HA ALA A 45 48.304 94.692 85.834 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.871 95.592 84.076 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.669 93.836 83.867 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.795 94.965 82.804 1.00 18.37 H new ATOM 630 N ARG A 46 47.653 97.080 85.587 1.00 0.00 N ATOM 631 CA ARG A 46 47.020 98.433 85.606 1.00 0.00 C ATOM 632 C ARG A 46 48.105 99.509 85.497 1.00 0.00 C ATOM 633 O ARG A 46 49.248 99.285 85.848 1.00 0.00 O ATOM 634 CB ARG A 46 46.308 98.511 86.962 1.00 0.00 C ATOM 635 CG ARG A 46 45.676 99.898 87.151 1.00 0.00 C ATOM 636 CD ARG A 46 45.106 100.020 88.567 1.00 0.00 C ATOM 637 NE ARG A 46 46.271 99.825 89.476 1.00 0.00 N ATOM 638 CZ ARG A 46 46.140 99.107 90.558 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.339 99.501 91.509 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.810 97.995 90.687 1.00 0.00 N ATOM 0 H ARG A 46 48.384 96.941 86.284 1.00 0.00 H new ATOM 0 HA ARG A 46 46.329 98.591 84.778 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.538 97.742 87.021 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.018 98.314 87.765 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.422 100.674 86.982 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.885 100.051 86.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.644 100.995 88.723 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.336 99.270 88.747 1.00 0.00 H new ATOM 0 HE ARG A 46 47.170 100.252 89.253 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.815 100.370 91.407 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.237 98.940 92.355 1.00 0.00 H new ATOM 0 HH21 ARG A 46 47.436 97.687 89.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.708 97.433 91.532 1.00 0.00 H new ATOM 654 N LEU A 47 47.753 100.673 85.011 1.00 0.00 N ATOM 655 CA LEU A 47 48.765 101.768 84.877 1.00 0.00 C ATOM 656 C LEU A 47 48.635 102.738 86.054 1.00 0.00 C ATOM 657 O LEU A 47 47.606 103.361 86.239 1.00 0.00 O ATOM 658 CB LEU A 47 48.426 102.467 83.560 1.00 0.00 C ATOM 659 CG LEU A 47 49.584 103.384 83.154 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.475 103.713 81.664 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.522 104.680 83.966 1.00 0.00 C ATOM 0 H LEU A 47 46.811 100.913 84.702 1.00 0.00 H new ATOM 0 HA LEU A 47 49.789 101.394 84.880 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.243 101.728 82.780 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.510 103.047 83.670 1.00 0.00 H new ATOM 0 HG LEU A 47 50.530 102.879 83.349 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.299 104.366 81.374 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.521 102.791 81.084 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.528 104.217 81.471 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.347 105.331 83.676 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.576 105.185 83.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.600 104.448 85.028 1.00 0.00 H new ATOM 673 N VAL A 48 49.664 102.861 86.855 1.00 0.00 N ATOM 674 CA VAL A 48 49.594 103.785 88.028 1.00 0.00 C ATOM 675 C VAL A 48 50.307 105.110 87.728 1.00 0.00 C ATOM 676 O VAL A 48 49.957 106.135 88.282 1.00 0.00 O ATOM 677 CB VAL A 48 50.288 103.041 89.175 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.273 103.905 90.440 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.552 101.730 89.459 1.00 0.00 C ATOM 0 H VAL A 48 50.547 102.363 86.748 1.00 0.00 H new ATOM 0 HA VAL A 48 48.564 104.041 88.276 1.00 0.00 H new ATOM 0 HB VAL A 48 51.318 102.831 88.888 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.768 103.371 91.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.799 104.840 90.248 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.242 104.119 90.722 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.048 101.204 90.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.521 101.945 89.740 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.562 101.106 88.565 1.00 0.00 H new ATOM 689 N ALA A 49 51.314 105.101 86.882 1.00 0.00 N ATOM 690 CA ALA A 49 52.035 106.382 86.599 1.00 0.00 C ATOM 691 C ALA A 49 52.452 106.506 85.128 1.00 0.00 C ATOM 692 O ALA A 49 52.459 105.548 84.380 1.00 0.00 O ATOM 693 CB ALA A 49 53.271 106.343 87.499 1.00 0.00 C ATOM 0 H ALA A 49 51.660 104.280 86.386 1.00 0.00 H new ATOM 0 HA ALA A 49 51.393 107.241 86.794 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.857 107.250 87.352 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.960 106.277 88.542 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.878 105.474 87.246 1.00 0.00 H new ATOM 699 N ARG A 50 52.802 107.699 84.730 1.00 18.13 N ATOM 700 CA ARG A 50 53.237 107.956 83.326 1.00 20.89 C ATOM 701 C ARG A 50 54.374 108.988 83.303 1.00 22.46 C ATOM 702 O ARG A 50 54.374 109.949 84.050 1.00 23.35 O ATOM 703 CB ARG A 50 51.988 108.501 82.613 1.00 21.09 C ATOM 704 CG ARG A 50 51.553 109.833 83.236 1.00 22.20 C ATOM 705 CD ARG A 50 50.170 110.216 82.705 1.00 26.75 C ATOM 706 NE ARG A 50 49.831 111.490 83.398 1.00 26.68 N ATOM 707 CZ ARG A 50 49.156 112.414 82.771 1.00 28.58 C ATOM 708 NH1 ARG A 50 49.573 112.857 81.616 1.00 29.05 N ATOM 709 NH2 ARG A 50 48.063 112.894 83.298 1.00 27.75 N ATOM 0 H ARG A 50 52.805 108.523 85.331 1.00 18.13 H new ATOM 0 HA ARG A 50 53.619 107.058 82.840 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.199 108.640 81.553 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.176 107.777 82.684 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.526 109.747 84.322 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.276 110.613 82.995 1.00 22.20 H new ATOM 0 HD2 ARG A 50 50.185 110.347 81.623 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.435 109.441 82.922 1.00 26.75 H new ATOM 0 HE ARG A 50 50.126 111.640 84.363 1.00 26.68 H new ATOM 0 HH11 ARG A 50 50.427 112.481 81.203 1.00 29.05 H new ATOM 0 HH12 ARG A 50 49.045 113.579 81.126 1.00 29.05 H new ATOM 0 HH21 ARG A 50 47.737 112.547 84.200 1.00 27.75 H new ATOM 0 HH22 ARG A 50 47.535 113.616 82.808 1.00 27.75 H new ATOM 723 N HIS A 51 55.343 108.779 82.449 1.00 22.89 N ATOM 724 CA HIS A 51 56.497 109.722 82.354 1.00 23.99 C ATOM 725 C HIS A 51 56.931 109.864 80.891 1.00 24.58 C ATOM 726 O HIS A 51 57.401 108.925 80.277 1.00 24.14 O ATOM 727 CB HIS A 51 57.603 109.083 83.201 1.00 22.92 C ATOM 728 CG HIS A 51 58.840 109.941 83.165 1.00 25.85 C ATOM 729 ND1 HIS A 51 60.095 109.441 83.477 1.00 27.97 N ATOM 730 CD2 HIS A 51 59.031 111.265 82.854 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.977 110.450 83.349 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.382 111.584 82.971 1.00 25.48 N ATOM 0 H HIS A 51 55.384 107.987 81.807 1.00 22.89 H new ATOM 0 HA HIS A 51 56.254 110.724 82.709 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.262 108.965 84.230 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.831 108.086 82.824 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.311 108.483 83.753 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.252 111.954 82.563 1.00 26.54 H new ATOM 0 HE1 HIS A 51 62.037 110.354 83.530 1.00 26.28 H new ATOM 740 N TRP A 52 56.766 111.037 80.333 1.00 24.73 N ATOM 741 CA TRP A 52 57.155 111.264 78.909 1.00 24.73 C ATOM 742 C TRP A 52 58.512 111.971 78.817 1.00 25.24 C ATOM 743 O TRP A 52 58.762 112.948 79.497 1.00 25.25 O ATOM 744 CB TRP A 52 56.062 112.180 78.356 1.00 22.37 C ATOM 745 CG TRP A 52 54.813 111.399 78.115 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.689 111.483 78.862 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.539 110.419 77.073 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.741 110.619 78.343 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.219 109.940 77.240 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.301 109.905 76.007 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.672 108.987 76.382 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.753 108.945 75.141 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.442 108.487 75.329 1.00 18.33 C ATOM 0 H TRP A 52 56.376 111.852 80.807 1.00 24.73 H new ATOM 0 HA TRP A 52 57.248 110.327 78.360 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.864 112.989 79.059 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.398 112.640 77.427 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.553 112.120 79.723 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.804 110.499 78.728 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.313 110.251 75.854 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.661 108.638 76.530 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.345 108.557 74.325 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.027 107.748 74.660 1.00 18.33 H new ATOM 764 N GLN A 53 59.382 111.485 77.970 1.00 0.00 N ATOM 765 CA GLN A 53 60.725 112.120 77.808 1.00 0.00 C ATOM 766 C GLN A 53 60.847 112.681 76.389 1.00 0.00 C ATOM 767 O GLN A 53 61.466 112.086 75.526 1.00 0.00 O ATOM 768 CB GLN A 53 61.726 110.983 78.024 1.00 0.00 C ATOM 769 CG GLN A 53 63.146 111.551 78.055 1.00 0.00 C ATOM 770 CD GLN A 53 64.141 110.424 78.339 1.00 0.00 C ATOM 771 OE1 GLN A 53 64.144 109.859 79.415 1.00 0.00 O ATOM 772 NE2 GLN A 53 64.991 110.071 77.414 1.00 0.00 N ATOM 0 H GLN A 53 59.219 110.670 77.379 1.00 0.00 H new ATOM 0 HA GLN A 53 60.894 112.942 78.503 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.509 110.466 78.959 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.635 110.247 77.225 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.380 112.025 77.102 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.224 112.321 78.822 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.988 110.545 76.511 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.658 109.321 77.594 1.00 0.00 H new ATOM 781 N ILE A 54 60.230 113.808 76.134 1.00 28.56 N ATOM 782 CA ILE A 54 60.273 114.405 74.762 1.00 31.69 C ATOM 783 C ILE A 54 61.560 115.218 74.530 1.00 31.35 C ATOM 784 O ILE A 54 61.905 116.100 75.293 1.00 31.20 O ATOM 785 CB ILE A 54 58.997 115.288 74.645 1.00 32.89 C ATOM 786 CG1 ILE A 54 59.130 116.588 75.460 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.764 114.515 75.139 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.928 117.493 75.178 1.00 36.11 C ATOM 0 H ILE A 54 59.696 114.343 76.819 1.00 28.56 H new ATOM 0 HA ILE A 54 60.287 113.631 73.995 1.00 31.69 H new ATOM 0 HB ILE A 54 58.879 115.545 73.592 1.00 32.89 H new ATOM 0 HG12 ILE A 54 59.184 116.359 76.524 1.00 34.14 H new ATOM 0 HG13 ILE A 54 60.055 117.101 75.197 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.880 115.146 75.051 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.631 113.618 74.535 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.906 114.232 76.182 1.00 31.08 H new ATOM 0 HD11 ILE A 54 58.022 118.413 75.755 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.894 117.733 74.115 1.00 36.11 H new ATOM 0 HD13 ILE A 54 57.010 116.978 75.463 1.00 36.11 H new ATOM 800 N THR A 55 62.254 114.930 73.459 1.00 32.39 N ATOM 801 CA THR A 55 63.497 115.691 73.126 1.00 32.79 C ATOM 802 C THR A 55 63.312 116.337 71.751 1.00 33.98 C ATOM 803 O THR A 55 62.897 115.697 70.800 1.00 33.62 O ATOM 804 CB THR A 55 64.641 114.675 73.131 1.00 32.44 C ATOM 805 OG1 THR A 55 64.737 114.081 74.418 1.00 30.14 O ATOM 806 CG2 THR A 55 65.955 115.380 72.793 1.00 31.51 C ATOM 0 H THR A 55 62.011 114.194 72.795 1.00 32.39 H new ATOM 0 HA THR A 55 63.714 116.487 73.839 1.00 32.79 H new ATOM 0 HB THR A 55 64.445 113.903 72.387 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.237 114.620 75.065 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.769 114.655 72.797 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.880 115.836 71.806 1.00 31.51 H new ATOM 0 HG23 THR A 55 66.154 116.153 73.535 1.00 31.51 H new ATOM 814 N ASP A 56 63.587 117.613 71.654 1.00 36.19 N ATOM 815 CA ASP A 56 63.397 118.325 70.357 1.00 38.66 C ATOM 816 C ASP A 56 64.658 118.257 69.487 1.00 38.50 C ATOM 817 O ASP A 56 65.710 117.826 69.919 1.00 37.75 O ATOM 818 CB ASP A 56 63.072 119.770 70.739 1.00 41.21 C ATOM 819 CG ASP A 56 62.502 120.508 69.527 1.00 42.74 C ATOM 820 OD1 ASP A 56 63.284 120.903 68.677 1.00 43.86 O ATOM 821 OD2 ASP A 56 61.294 120.668 69.469 1.00 45.04 O ATOM 0 H ASP A 56 63.935 118.192 72.418 1.00 36.19 H new ATOM 0 HA ASP A 56 62.604 117.870 69.763 1.00 38.66 H new ATOM 0 HB2 ASP A 56 62.353 119.787 71.558 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.971 120.274 71.094 1.00 41.21 H new ATOM 826 N GLY A 57 64.536 118.671 68.252 1.00 37.51 N ATOM 827 CA GLY A 57 65.688 118.638 67.300 1.00 38.01 C ATOM 828 C GLY A 57 66.855 119.531 67.765 1.00 39.47 C ATOM 829 O GLY A 57 67.912 119.511 67.160 1.00 38.99 O ATOM 0 H GLY A 57 63.670 119.037 67.856 1.00 37.51 H new ATOM 0 HA2 GLY A 57 66.039 117.612 67.193 1.00 38.01 H new ATOM 0 HA3 GLY A 57 65.353 118.965 66.316 1.00 38.01 H new ATOM 833 N ASN A 58 66.703 120.292 68.829 1.00 0.00 N ATOM 834 CA ASN A 58 67.843 121.140 69.301 1.00 0.00 C ATOM 835 C ASN A 58 68.539 120.485 70.510 1.00 0.00 C ATOM 836 O ASN A 58 69.428 121.063 71.106 1.00 0.00 O ATOM 837 CB ASN A 58 67.221 122.482 69.688 1.00 0.00 C ATOM 838 CG ASN A 58 68.313 123.550 69.759 1.00 0.00 C ATOM 839 OD1 ASN A 58 69.096 123.697 68.842 1.00 0.00 O ATOM 840 ND2 ASN A 58 68.400 124.307 70.818 1.00 0.00 N ATOM 0 H ASN A 58 65.849 120.360 69.382 1.00 0.00 H new ATOM 0 HA ASN A 58 68.606 121.261 68.532 1.00 0.00 H new ATOM 0 HB2 ASN A 58 66.465 122.768 68.957 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.718 122.397 70.651 1.00 0.00 H new ATOM 0 HD21 ASN A 58 69.125 125.022 70.876 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.743 124.184 71.588 1.00 0.00 H new ATOM 847 N GLY A 59 68.156 119.277 70.861 1.00 0.00 N ATOM 848 CA GLY A 59 68.807 118.579 72.012 1.00 0.00 C ATOM 849 C GLY A 59 68.020 118.817 73.305 1.00 0.00 C ATOM 850 O GLY A 59 68.001 117.976 74.184 1.00 0.00 O ATOM 0 H GLY A 59 67.419 118.746 70.397 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.867 117.510 71.809 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.829 118.939 72.131 1.00 0.00 H new ATOM 854 N ARG A 60 67.379 119.953 73.435 1.00 49.10 N ATOM 855 CA ARG A 60 66.602 120.232 74.685 1.00 50.05 C ATOM 856 C ARG A 60 65.462 119.219 74.831 1.00 49.79 C ATOM 857 O ARG A 60 64.840 118.832 73.860 1.00 48.27 O ATOM 858 CB ARG A 60 66.044 121.653 74.510 1.00 52.38 C ATOM 859 CG ARG A 60 66.794 122.631 75.430 1.00 55.08 C ATOM 860 CD ARG A 60 67.652 123.587 74.592 1.00 57.97 C ATOM 861 NE ARG A 60 66.679 124.368 73.775 1.00 60.72 N ATOM 862 CZ ARG A 60 66.747 125.671 73.752 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.744 126.261 73.151 1.00 61.80 N ATOM 864 NH2 ARG A 60 65.820 126.384 74.331 1.00 62.78 N ATOM 0 H ARG A 60 67.359 120.695 72.735 1.00 49.10 H new ATOM 0 HA ARG A 60 67.219 120.151 75.580 1.00 50.05 H new ATOM 0 HB2 ARG A 60 66.146 121.967 73.471 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.979 121.666 74.743 1.00 52.38 H new ATOM 0 HG2 ARG A 60 66.082 123.199 76.029 1.00 55.08 H new ATOM 0 HG3 ARG A 60 67.425 122.078 76.125 1.00 55.08 H new ATOM 0 HD2 ARG A 60 68.248 124.242 75.228 1.00 57.97 H new ATOM 0 HD3 ARG A 60 68.348 123.038 73.958 1.00 57.97 H new ATOM 0 HE ARG A 60 65.961 123.884 73.235 1.00 60.72 H new ATOM 0 HH11 ARG A 60 68.469 125.704 72.700 1.00 61.80 H new ATOM 0 HH12 ARG A 60 67.798 127.279 73.133 1.00 61.80 H new ATOM 0 HH21 ARG A 60 65.042 125.923 74.802 1.00 62.78 H new ATOM 0 HH22 ARG A 60 65.874 127.402 74.313 1.00 62.78 H new ATOM 878 N THR A 61 65.190 118.786 76.037 1.00 0.00 N ATOM 879 CA THR A 61 64.092 117.793 76.248 1.00 0.00 C ATOM 880 C THR A 61 63.227 118.191 77.447 1.00 0.00 C ATOM 881 O THR A 61 63.683 118.861 78.356 1.00 0.00 O ATOM 882 CB THR A 61 64.799 116.455 76.500 1.00 0.00 C ATOM 883 OG1 THR A 61 63.827 115.445 76.727 1.00 0.00 O ATOM 884 CG2 THR A 61 65.714 116.569 77.723 1.00 0.00 C ATOM 0 H THR A 61 65.680 119.077 76.883 1.00 0.00 H new ATOM 0 HA THR A 61 63.422 117.738 75.390 1.00 0.00 H new ATOM 0 HB THR A 61 65.400 116.197 75.628 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.948 115.766 76.436 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.212 115.615 77.895 1.00 0.00 H new ATOM 0 HG22 THR A 61 66.462 117.342 77.547 1.00 0.00 H new ATOM 0 HG23 THR A 61 65.120 116.831 78.599 1.00 0.00 H new ATOM 892 N GLU A 62 61.981 117.787 77.452 1.00 0.00 N ATOM 893 CA GLU A 62 61.077 118.142 78.586 1.00 0.00 C ATOM 894 C GLU A 62 60.520 116.871 79.236 1.00 0.00 C ATOM 895 O GLU A 62 59.925 116.034 78.582 1.00 0.00 O ATOM 896 CB GLU A 62 59.951 118.959 77.953 1.00 0.00 C ATOM 897 CG GLU A 62 59.065 119.548 79.054 1.00 0.00 C ATOM 898 CD GLU A 62 59.866 120.563 79.874 1.00 0.00 C ATOM 899 OE1 GLU A 62 60.732 121.207 79.304 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.598 120.679 81.058 1.00 0.00 O ATOM 0 H GLU A 62 61.551 117.225 76.717 1.00 0.00 H new ATOM 0 HA GLU A 62 61.593 118.698 79.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 60.368 119.759 77.340 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.357 118.328 77.292 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.193 120.030 78.613 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.696 118.753 79.702 1.00 0.00 H new ATOM 907 N GLN A 63 60.717 116.726 80.521 1.00 0.00 N ATOM 908 CA GLN A 63 60.210 115.515 81.233 1.00 0.00 C ATOM 909 C GLN A 63 58.933 115.843 82.011 1.00 0.00 C ATOM 910 O GLN A 63 58.850 116.850 82.688 1.00 0.00 O ATOM 911 CB GLN A 63 61.333 115.146 82.203 1.00 0.00 C ATOM 912 CG GLN A 63 62.533 114.614 81.417 1.00 0.00 C ATOM 913 CD GLN A 63 63.656 114.244 82.386 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.860 114.911 83.381 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.400 113.201 82.138 1.00 0.00 N ATOM 0 H GLN A 63 61.209 117.397 81.110 1.00 0.00 H new ATOM 0 HA GLN A 63 59.963 114.706 80.546 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.625 116.019 82.786 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.985 114.393 82.909 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.240 113.741 80.833 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.882 115.368 80.711 1.00 0.00 H new ATOM 0 HE21 GLN A 63 64.230 112.640 81.303 1.00 0.00 H new ATOM 0 HE22 GLN A 63 65.152 112.947 82.779 1.00 0.00 H new ATOM 924 N VAL A 64 57.939 114.997 81.916 1.00 37.94 N ATOM 925 CA VAL A 64 56.659 115.252 82.646 1.00 37.05 C ATOM 926 C VAL A 64 56.264 114.017 83.463 1.00 36.89 C ATOM 927 O VAL A 64 56.268 112.905 82.974 1.00 36.32 O ATOM 928 CB VAL A 64 55.622 115.548 81.557 1.00 36.50 C ATOM 929 CG1 VAL A 64 54.262 115.827 82.201 1.00 37.01 C ATOM 930 CG2 VAL A 64 56.061 116.776 80.753 1.00 35.74 C ATOM 0 H VAL A 64 57.958 114.140 81.364 1.00 37.94 H new ATOM 0 HA VAL A 64 56.742 116.080 83.350 1.00 37.05 H new ATOM 0 HB VAL A 64 55.541 114.686 80.895 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.527 116.037 81.424 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.945 114.955 82.774 1.00 37.01 H new ATOM 0 HG13 VAL A 64 54.344 116.688 82.865 1.00 37.01 H new ATOM 0 HG21 VAL A 64 55.323 116.986 79.978 1.00 35.74 H new ATOM 0 HG22 VAL A 64 56.144 117.636 81.418 1.00 35.74 H new ATOM 0 HG23 VAL A 64 57.028 116.581 80.290 1.00 35.74 H new ATOM 940 N ASP A 65 55.930 114.220 84.710 1.00 0.00 N ATOM 941 CA ASP A 65 55.537 113.083 85.594 1.00 0.00 C ATOM 942 C ASP A 65 54.165 113.351 86.219 1.00 0.00 C ATOM 943 O ASP A 65 53.946 114.381 86.829 1.00 0.00 O ATOM 944 CB ASP A 65 56.615 113.041 86.679 1.00 0.00 C ATOM 945 CG ASP A 65 56.446 111.772 87.517 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.479 111.700 88.257 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.287 110.895 87.406 1.00 0.00 O ATOM 0 H ASP A 65 55.913 115.136 85.159 1.00 0.00 H new ATOM 0 HA ASP A 65 55.463 112.141 85.050 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.605 113.060 86.224 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.540 113.923 87.316 1.00 0.00 H new ATOM 952 N GLY A 66 53.245 112.430 86.078 1.00 31.82 N ATOM 953 CA GLY A 66 51.888 112.626 86.669 1.00 29.07 C ATOM 954 C GLY A 66 51.310 111.269 87.081 1.00 27.67 C ATOM 955 O GLY A 66 51.594 110.255 86.473 1.00 27.18 O ATOM 0 H GLY A 66 53.376 111.550 85.579 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.948 113.286 87.535 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.231 113.109 85.946 1.00 29.07 H new ATOM 959 N GLU A 67 50.503 111.246 88.111 1.00 0.00 N ATOM 960 CA GLU A 67 49.900 109.955 88.570 1.00 0.00 C ATOM 961 C GLU A 67 48.775 109.521 87.623 1.00 0.00 C ATOM 962 O GLU A 67 48.154 110.336 86.968 1.00 0.00 O ATOM 963 CB GLU A 67 49.351 110.237 89.975 1.00 0.00 C ATOM 964 CG GLU A 67 48.313 111.365 89.923 1.00 0.00 C ATOM 965 CD GLU A 67 47.431 111.304 91.172 1.00 0.00 C ATOM 966 OE1 GLU A 67 47.888 111.738 92.217 1.00 0.00 O ATOM 967 OE2 GLU A 67 46.316 110.823 91.063 1.00 0.00 O ATOM 0 H GLU A 67 50.234 112.066 88.655 1.00 0.00 H new ATOM 0 HA GLU A 67 50.630 109.146 88.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.897 109.334 90.384 1.00 0.00 H new ATOM 0 HB3 GLU A 67 50.167 110.514 90.643 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.813 112.332 89.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.700 111.269 89.027 1.00 0.00 H new ATOM 974 N GLY A 68 48.498 108.240 87.563 1.00 22.62 N ATOM 975 CA GLY A 68 47.401 107.725 86.680 1.00 22.36 C ATOM 976 C GLY A 68 47.513 108.290 85.259 1.00 20.38 C ATOM 977 O GLY A 68 48.485 108.926 84.901 1.00 21.93 O ATOM 0 H GLY A 68 48.990 107.521 88.094 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.442 106.636 86.644 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.434 107.994 87.105 1.00 22.36 H new ATOM 981 N VAL A 69 46.504 108.064 84.460 1.00 17.51 N ATOM 982 CA VAL A 69 46.498 108.578 83.055 1.00 15.40 C ATOM 983 C VAL A 69 45.171 109.287 82.781 1.00 17.02 C ATOM 984 O VAL A 69 44.112 108.760 83.039 1.00 17.35 O ATOM 985 CB VAL A 69 46.658 107.351 82.143 1.00 12.26 C ATOM 986 CG1 VAL A 69 48.076 106.797 82.280 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.645 106.262 82.523 1.00 8.21 C ATOM 0 H VAL A 69 45.671 107.538 84.724 1.00 17.51 H new ATOM 0 HA VAL A 69 47.300 109.294 82.879 1.00 15.40 H new ATOM 0 HB VAL A 69 46.477 107.654 81.112 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.191 105.927 81.634 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.795 107.562 81.989 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.255 106.506 83.315 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.773 105.401 81.867 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.808 105.958 83.557 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.633 106.653 82.415 1.00 8.21 H new ATOM 997 N VAL A 70 45.244 110.493 82.277 1.00 17.68 N ATOM 998 CA VAL A 70 44.022 111.322 81.972 1.00 16.81 C ATOM 999 C VAL A 70 42.952 111.199 83.081 1.00 17.08 C ATOM 1000 O VAL A 70 41.765 111.280 82.830 1.00 16.77 O ATOM 1001 CB VAL A 70 43.493 110.869 80.595 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.622 110.899 79.556 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.910 109.456 80.676 1.00 20.55 C ATOM 0 H VAL A 70 46.125 110.957 82.055 1.00 17.68 H new ATOM 0 HA VAL A 70 44.280 112.381 81.941 1.00 16.81 H new ATOM 0 HB VAL A 70 42.705 111.558 80.292 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.235 110.577 78.589 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.012 111.913 79.472 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.422 110.228 79.868 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.543 109.157 79.694 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.684 108.761 81.001 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.087 109.442 81.391 1.00 20.55 H new ATOM 1013 N GLY A 71 43.383 111.050 84.311 1.00 17.30 N ATOM 1014 CA GLY A 71 42.431 110.973 85.465 1.00 16.44 C ATOM 1015 C GLY A 71 41.851 109.564 85.671 1.00 18.03 C ATOM 1016 O GLY A 71 40.854 109.411 86.354 1.00 18.29 O ATOM 0 H GLY A 71 44.368 110.977 84.568 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.945 111.285 86.374 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.614 111.676 85.303 1.00 16.44 H new ATOM 1020 N GLU A 72 42.449 108.536 85.115 1.00 0.00 N ATOM 1021 CA GLU A 72 41.886 107.159 85.329 1.00 0.00 C ATOM 1022 C GLU A 72 42.989 106.098 85.411 1.00 0.00 C ATOM 1023 O GLU A 72 44.041 106.219 84.816 1.00 0.00 O ATOM 1024 CB GLU A 72 40.960 106.884 84.140 1.00 0.00 C ATOM 1025 CG GLU A 72 41.746 106.959 82.835 1.00 0.00 C ATOM 1026 CD GLU A 72 40.834 106.589 81.666 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.261 105.512 81.704 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.722 107.389 80.751 1.00 0.00 O ATOM 0 H GLU A 72 43.286 108.585 84.533 1.00 0.00 H new ATOM 0 HA GLU A 72 41.349 107.110 86.277 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.505 105.899 84.244 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.147 107.610 84.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.144 107.964 82.695 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.599 106.281 82.873 1.00 0.00 H new ATOM 1035 N GLN A 73 42.728 105.052 86.149 1.00 13.09 N ATOM 1036 CA GLN A 73 43.711 103.941 86.306 1.00 15.45 C ATOM 1037 C GLN A 73 43.122 102.663 85.688 1.00 15.30 C ATOM 1038 O GLN A 73 42.661 101.789 86.397 1.00 16.40 O ATOM 1039 CB GLN A 73 43.870 103.777 87.820 1.00 18.12 C ATOM 1040 CG GLN A 73 44.635 104.976 88.385 1.00 18.21 C ATOM 1041 CD GLN A 73 44.567 104.949 89.913 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.711 103.908 90.521 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.351 106.059 90.563 1.00 14.04 N ATOM 0 H GLN A 73 41.856 104.919 86.660 1.00 13.09 H new ATOM 0 HA GLN A 73 44.665 104.138 85.817 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.891 103.701 88.293 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.404 102.853 88.042 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.674 104.946 88.056 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.207 105.905 88.007 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.230 106.934 90.052 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.303 106.052 91.582 1.00 14.04 H new ATOM 1052 N PRO A 74 43.130 102.613 84.374 1.00 15.25 N ATOM 1053 CA PRO A 74 42.543 101.419 83.695 1.00 16.63 C ATOM 1054 C PRO A 74 43.216 100.114 84.141 1.00 17.41 C ATOM 1055 O PRO A 74 44.426 100.026 84.265 1.00 17.61 O ATOM 1056 CB PRO A 74 42.797 101.671 82.212 1.00 16.18 C ATOM 1057 CG PRO A 74 43.974 102.582 82.176 1.00 16.38 C ATOM 1058 CD PRO A 74 43.904 103.427 83.416 1.00 13.89 C ATOM 0 HA PRO A 74 41.487 101.298 83.935 1.00 16.63 H new ATOM 0 HB2 PRO A 74 43.001 100.741 81.682 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.930 102.127 81.734 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.903 102.013 82.148 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.954 103.205 81.282 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.899 103.652 83.800 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.415 104.381 83.219 1.00 13.89 H new ATOM 1066 N TRP A 75 42.419 99.099 84.357 1.00 0.00 N ATOM 1067 CA TRP A 75 42.952 97.768 84.772 1.00 0.00 C ATOM 1068 C TRP A 75 42.988 96.851 83.548 1.00 0.00 C ATOM 1069 O TRP A 75 42.140 95.993 83.379 1.00 0.00 O ATOM 1070 CB TRP A 75 41.942 97.253 85.803 1.00 0.00 C ATOM 1071 CG TRP A 75 42.592 96.247 86.699 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.470 96.541 87.685 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.424 94.800 86.720 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.858 95.366 88.304 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.240 94.265 87.745 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.654 93.906 85.953 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.289 92.896 88.002 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.700 92.526 86.210 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.517 92.022 87.233 1.00 0.00 C ATOM 0 H TRP A 75 41.404 99.138 84.261 1.00 0.00 H new ATOM 0 HA TRP A 75 43.960 97.812 85.184 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.558 98.084 86.394 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.089 96.802 85.295 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.812 97.531 87.946 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.520 95.319 89.079 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.024 94.284 85.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.920 92.513 88.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.103 91.849 85.617 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.549 90.960 87.426 1.00 0.00 H new ATOM 1090 N LEU A 76 43.944 97.048 82.679 1.00 18.07 N ATOM 1091 CA LEU A 76 44.021 96.211 81.440 1.00 17.96 C ATOM 1092 C LEU A 76 44.151 94.725 81.782 1.00 19.47 C ATOM 1093 O LEU A 76 45.130 94.291 82.359 1.00 20.57 O ATOM 1094 CB LEU A 76 45.267 96.703 80.685 1.00 16.79 C ATOM 1095 CG LEU A 76 44.868 97.163 79.280 1.00 17.27 C ATOM 1096 CD1 LEU A 76 44.297 98.578 79.352 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.094 97.157 78.369 1.00 15.14 C ATOM 0 H LEU A 76 44.676 97.752 82.771 1.00 18.07 H new ATOM 0 HA LEU A 76 43.117 96.310 80.840 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.733 97.525 81.229 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.005 95.903 80.621 1.00 16.79 H new ATOM 0 HG LEU A 76 44.116 96.484 78.878 1.00 17.27 H new ATOM 0 HD11 LEU A 76 44.013 98.907 78.352 1.00 13.86 H new ATOM 0 HD12 LEU A 76 43.420 98.584 79.999 1.00 13.86 H new ATOM 0 HD13 LEU A 76 45.050 99.254 79.756 1.00 13.86 H new ATOM 0 HD21 LEU A 76 45.807 97.485 77.370 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.849 97.834 78.770 1.00 15.14 H new ATOM 0 HD23 LEU A 76 46.503 96.148 78.316 1.00 15.14 H new ATOM 1109 N ARG A 77 43.172 93.945 81.402 1.00 0.00 N ATOM 1110 CA ARG A 77 43.223 92.479 81.666 1.00 0.00 C ATOM 1111 C ARG A 77 43.969 91.792 80.518 1.00 0.00 C ATOM 1112 O ARG A 77 44.074 92.351 79.443 1.00 0.00 O ATOM 1113 CB ARG A 77 41.763 92.028 81.701 1.00 0.00 C ATOM 1114 CG ARG A 77 41.248 92.068 83.141 1.00 0.00 C ATOM 1115 CD ARG A 77 40.155 91.011 83.322 1.00 0.00 C ATOM 1116 NE ARG A 77 39.143 91.648 84.213 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.260 90.909 84.826 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.642 89.857 85.497 1.00 0.00 N ATOM 1119 NH2 ARG A 77 36.994 91.222 84.770 1.00 0.00 N ATOM 0 H ARG A 77 42.334 94.265 80.917 1.00 0.00 H new ATOM 0 HA ARG A 77 43.739 92.233 82.594 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.156 92.676 81.069 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.674 91.018 81.300 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.067 91.883 83.836 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.853 93.058 83.370 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.716 90.730 82.365 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.556 90.101 83.768 1.00 0.00 H new ATOM 0 HE ARG A 77 39.141 92.660 84.343 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.631 89.612 85.542 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.951 89.279 85.976 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.695 92.045 84.247 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.304 90.644 85.250 1.00 0.00 H new ATOM 1133 N PRO A 78 44.471 90.602 80.772 1.00 23.86 N ATOM 1134 CA PRO A 78 45.212 89.897 79.681 1.00 24.22 C ATOM 1135 C PRO A 78 44.347 89.791 78.416 1.00 24.36 C ATOM 1136 O PRO A 78 43.234 89.301 78.442 1.00 22.27 O ATOM 1137 CB PRO A 78 45.520 88.521 80.260 1.00 25.39 C ATOM 1138 CG PRO A 78 44.475 88.306 81.301 1.00 27.04 C ATOM 1139 CD PRO A 78 44.126 89.663 81.855 1.00 25.13 C ATOM 0 HA PRO A 78 46.116 90.425 79.379 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.478 87.749 79.491 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.521 88.488 80.691 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.595 87.826 80.872 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.844 87.650 82.089 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.069 89.726 82.114 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.690 89.879 82.762 1.00 25.13 H new ATOM 1147 N GLY A 79 44.872 90.254 77.310 1.00 24.74 N ATOM 1148 CA GLY A 79 44.115 90.199 76.024 1.00 23.79 C ATOM 1149 C GLY A 79 43.248 91.458 75.848 1.00 23.44 C ATOM 1150 O GLY A 79 42.826 91.770 74.749 1.00 22.44 O ATOM 0 H GLY A 79 45.800 90.671 77.243 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.811 90.112 75.190 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.483 89.311 76.006 1.00 23.79 H new ATOM 1154 N GLU A 80 42.982 92.189 76.908 1.00 23.31 N ATOM 1155 CA GLU A 80 42.149 93.426 76.782 1.00 21.90 C ATOM 1156 C GLU A 80 43.039 94.636 76.482 1.00 20.95 C ATOM 1157 O GLU A 80 44.245 94.580 76.625 1.00 19.52 O ATOM 1158 CB GLU A 80 41.455 93.584 78.136 1.00 23.06 C ATOM 1159 CG GLU A 80 40.407 92.484 78.305 1.00 23.88 C ATOM 1160 CD GLU A 80 39.289 92.681 77.281 1.00 27.44 C ATOM 1161 OE1 GLU A 80 38.658 93.726 77.314 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.080 91.784 76.480 1.00 25.91 O ATOM 0 H GLU A 80 43.306 91.981 77.852 1.00 23.31 H new ATOM 0 HA GLU A 80 41.428 93.356 75.967 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.188 93.529 78.941 1.00 23.06 H new ATOM 0 HB3 GLU A 80 40.982 94.564 78.202 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.868 91.505 78.172 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.998 92.509 79.315 1.00 23.88 H new ATOM 1169 N ALA A 81 42.449 95.729 76.061 1.00 0.00 N ATOM 1170 CA ALA A 81 43.253 96.946 75.741 1.00 0.00 C ATOM 1171 C ALA A 81 42.446 98.217 76.039 1.00 0.00 C ATOM 1172 O ALA A 81 41.232 98.223 75.956 1.00 0.00 O ATOM 1173 CB ALA A 81 43.560 96.839 74.247 1.00 0.00 C ATOM 0 H ALA A 81 41.443 95.829 75.926 1.00 0.00 H new ATOM 0 HA ALA A 81 44.162 97.006 76.340 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.150 97.700 73.934 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.122 95.925 74.056 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.627 96.815 73.685 1.00 0.00 H new ATOM 1179 N PHE A 82 43.116 99.298 76.361 1.00 18.56 N ATOM 1180 CA PHE A 82 42.399 100.581 76.638 1.00 17.00 C ATOM 1181 C PHE A 82 42.844 101.634 75.615 1.00 16.61 C ATOM 1182 O PHE A 82 43.975 101.620 75.165 1.00 15.77 O ATOM 1183 CB PHE A 82 42.821 100.985 78.054 1.00 13.41 C ATOM 1184 CG PHE A 82 42.153 102.288 78.432 1.00 12.03 C ATOM 1185 CD1 PHE A 82 40.902 102.273 79.060 1.00 10.24 C ATOM 1186 CD2 PHE A 82 42.782 103.507 78.153 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.279 103.477 79.410 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.159 104.711 78.502 1.00 8.77 C ATOM 1189 CZ PHE A 82 40.908 104.696 79.130 1.00 9.06 C ATOM 0 H PHE A 82 44.132 99.346 76.444 1.00 18.56 H new ATOM 0 HA PHE A 82 41.316 100.485 76.563 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.545 100.204 78.763 1.00 13.41 H new ATOM 0 HB3 PHE A 82 43.905 101.093 78.104 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.417 101.332 79.275 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.747 103.519 77.669 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.314 103.465 79.895 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.644 105.652 78.287 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.428 105.625 79.399 1.00 9.06 H new ATOM 1199 N HIS A 83 41.974 102.539 75.237 1.00 0.00 N ATOM 1200 CA HIS A 83 42.372 103.578 74.234 1.00 0.00 C ATOM 1201 C HIS A 83 41.704 104.925 74.540 1.00 0.00 C ATOM 1202 O HIS A 83 40.545 104.986 74.907 1.00 0.00 O ATOM 1203 CB HIS A 83 41.897 103.033 72.881 1.00 0.00 C ATOM 1204 CG HIS A 83 40.405 102.809 72.905 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.503 103.819 72.610 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.649 101.699 73.186 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.266 103.300 72.720 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.298 102.011 73.068 1.00 0.00 N ATOM 0 H HIS A 83 41.014 102.604 75.575 1.00 0.00 H new ATOM 0 HA HIS A 83 43.447 103.760 74.248 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.154 103.735 72.087 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.409 102.097 72.657 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.043 100.731 73.457 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.358 103.858 72.548 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.503 101.389 73.216 1.00 0.00 H new ATOM 1216 N TYR A 84 42.428 106.004 74.365 1.00 21.96 N ATOM 1217 CA TYR A 84 41.843 107.358 74.613 1.00 22.81 C ATOM 1218 C TYR A 84 42.519 108.390 73.695 1.00 25.11 C ATOM 1219 O TYR A 84 43.599 108.158 73.184 1.00 26.65 O ATOM 1220 CB TYR A 84 42.093 107.662 76.102 1.00 19.35 C ATOM 1221 CG TYR A 84 43.568 107.862 76.383 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.373 106.772 76.729 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.124 109.146 76.311 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.732 106.962 76.999 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.484 109.337 76.584 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.288 108.245 76.927 1.00 12.19 C ATOM 1227 OH TYR A 84 47.628 108.432 77.197 1.00 13.46 O ATOM 0 H TYR A 84 43.401 106.005 74.060 1.00 21.96 H new ATOM 0 HA TYR A 84 40.776 107.398 74.394 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.541 108.557 76.390 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.712 106.842 76.712 1.00 19.35 H new ATOM 0 HD1 TYR A 84 43.945 105.782 76.788 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.503 109.989 76.045 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.353 106.119 77.263 1.00 9.20 H new ATOM 0 HE2 TYR A 84 45.912 110.327 76.530 1.00 14.00 H new ATOM 0 HH TYR A 84 47.852 109.381 77.101 1.00 13.46 H new ATOM 1237 N THR A 85 41.888 109.517 73.478 1.00 26.58 N ATOM 1238 CA THR A 85 42.492 110.556 72.588 1.00 26.99 C ATOM 1239 C THR A 85 43.153 111.660 73.418 1.00 28.14 C ATOM 1240 O THR A 85 42.605 112.122 74.401 1.00 27.02 O ATOM 1241 CB THR A 85 41.320 111.118 71.782 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.666 110.056 71.099 1.00 25.06 O ATOM 1243 CG2 THR A 85 41.836 112.138 70.767 1.00 21.76 C ATOM 0 H THR A 85 40.982 109.762 73.878 1.00 26.58 H new ATOM 0 HA THR A 85 43.269 110.142 71.946 1.00 26.99 H new ATOM 0 HB THR A 85 40.617 111.606 72.456 1.00 26.65 H new ATOM 0 HG1 THR A 85 39.913 110.413 70.583 1.00 25.06 H new ATOM 0 HG21 THR A 85 40.999 112.537 70.194 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.337 112.952 71.291 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.541 111.654 70.091 1.00 21.76 H new ATOM 1251 N SER A 86 44.331 112.084 73.025 1.00 29.06 N ATOM 1252 CA SER A 86 45.037 113.157 73.786 1.00 29.05 C ATOM 1253 C SER A 86 45.376 114.327 72.853 1.00 29.43 C ATOM 1254 O SER A 86 45.288 114.202 71.642 1.00 29.12 O ATOM 1255 CB SER A 86 46.315 112.497 74.288 1.00 29.12 C ATOM 1256 OG SER A 86 47.146 113.486 74.881 1.00 33.88 O ATOM 0 H SER A 86 44.832 111.731 72.209 1.00 29.06 H new ATOM 0 HA SER A 86 44.432 113.559 74.599 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.077 111.720 75.015 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.837 112.012 73.463 1.00 29.12 H new ATOM 0 HG SER A 86 48.042 113.439 74.488 1.00 33.88 H new ATOM 1262 N GLY A 87 45.778 115.453 73.395 1.00 29.08 N ATOM 1263 CA GLY A 87 46.127 116.615 72.524 1.00 29.89 C ATOM 1264 C GLY A 87 47.350 117.349 73.083 1.00 31.80 C ATOM 1265 O GLY A 87 47.353 117.812 74.208 1.00 31.40 O ATOM 0 H GLY A 87 45.878 115.615 74.397 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.333 116.270 71.511 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.281 117.299 72.462 1.00 29.89 H new ATOM 1269 N VAL A 88 48.386 117.464 72.292 1.00 0.00 N ATOM 1270 CA VAL A 88 49.622 118.177 72.742 1.00 0.00 C ATOM 1271 C VAL A 88 50.029 119.206 71.682 1.00 0.00 C ATOM 1272 O VAL A 88 49.808 119.014 70.501 1.00 0.00 O ATOM 1273 CB VAL A 88 50.692 117.083 72.889 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.051 117.714 73.218 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.301 116.136 74.023 1.00 0.00 C ATOM 0 H VAL A 88 48.430 117.091 71.344 1.00 0.00 H new ATOM 0 HA VAL A 88 49.480 118.716 73.679 1.00 0.00 H new ATOM 0 HB VAL A 88 50.764 116.534 71.950 1.00 0.00 H new ATOM 0 HG11 VAL A 88 52.801 116.930 73.320 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.341 118.392 72.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 51.977 118.269 74.153 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.060 115.360 74.127 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.225 116.696 74.955 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.340 115.675 73.797 1.00 0.00 H new ATOM 1285 N LEU A 89 50.617 120.300 72.100 1.00 0.00 N ATOM 1286 CA LEU A 89 51.034 121.348 71.122 1.00 0.00 C ATOM 1287 C LEU A 89 52.558 121.365 70.975 1.00 0.00 C ATOM 1288 O LEU A 89 53.284 121.141 71.925 1.00 0.00 O ATOM 1289 CB LEU A 89 50.538 122.667 71.718 1.00 0.00 C ATOM 1290 CG LEU A 89 49.012 122.633 71.838 1.00 0.00 C ATOM 1291 CD1 LEU A 89 48.534 123.863 72.613 1.00 0.00 C ATOM 1292 CD2 LEU A 89 48.392 122.641 70.439 1.00 0.00 C ATOM 0 H LEU A 89 50.825 120.511 73.076 1.00 0.00 H new ATOM 0 HA LEU A 89 50.624 121.169 70.128 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.987 122.827 72.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 50.845 123.501 71.087 1.00 0.00 H new ATOM 0 HG LEU A 89 48.708 121.729 72.367 1.00 0.00 H new ATOM 0 HD11 LEU A 89 47.448 123.839 72.699 1.00 0.00 H new ATOM 0 HD12 LEU A 89 48.977 123.860 73.609 1.00 0.00 H new ATOM 0 HD13 LEU A 89 48.837 124.767 72.084 1.00 0.00 H new ATOM 0 HD21 LEU A 89 47.305 122.617 70.522 1.00 0.00 H new ATOM 0 HD22 LEU A 89 48.695 123.545 69.912 1.00 0.00 H new ATOM 0 HD23 LEU A 89 48.733 121.766 69.885 1.00 0.00 H new ATOM 1304 N LEU A 90 53.043 121.626 69.789 1.00 37.85 N ATOM 1305 CA LEU A 90 54.520 121.656 69.567 1.00 36.74 C ATOM 1306 C LEU A 90 54.936 123.029 69.033 1.00 35.30 C ATOM 1307 O LEU A 90 54.212 123.646 68.274 1.00 35.10 O ATOM 1308 CB LEU A 90 54.783 120.570 68.523 1.00 38.41 C ATOM 1309 CG LEU A 90 56.253 120.154 68.580 1.00 38.68 C ATOM 1310 CD1 LEU A 90 56.492 119.285 69.815 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.605 119.356 67.321 1.00 38.08 C ATOM 0 H LEU A 90 52.478 121.820 68.962 1.00 37.85 H new ATOM 0 HA LEU A 90 55.085 121.483 70.483 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.143 119.708 68.710 1.00 38.41 H new ATOM 0 HB3 LEU A 90 54.537 120.940 67.528 1.00 38.41 H new ATOM 0 HG LEU A 90 56.880 121.044 68.636 1.00 38.68 H new ATOM 0 HD11 LEU A 90 57.540 118.989 69.854 1.00 37.80 H new ATOM 0 HD12 LEU A 90 56.241 119.851 70.712 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.866 118.395 69.760 1.00 37.80 H new ATOM 0 HD21 LEU A 90 57.653 119.059 67.360 1.00 38.08 H new ATOM 0 HD22 LEU A 90 55.977 118.467 67.267 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.436 119.974 66.439 1.00 38.08 H new ATOM 1323 N GLU A 91 56.086 123.517 69.424 1.00 0.00 N ATOM 1324 CA GLU A 91 56.535 124.857 68.937 1.00 0.00 C ATOM 1325 C GLU A 91 57.640 124.725 67.875 1.00 0.00 C ATOM 1326 O GLU A 91 58.101 125.716 67.338 1.00 0.00 O ATOM 1327 CB GLU A 91 57.072 125.560 70.184 1.00 0.00 C ATOM 1328 CG GLU A 91 57.429 127.010 69.846 1.00 0.00 C ATOM 1329 CD GLU A 91 57.844 127.744 71.123 1.00 0.00 C ATOM 1330 OE1 GLU A 91 56.975 128.309 71.767 1.00 0.00 O ATOM 1331 OE2 GLU A 91 59.023 127.729 71.435 1.00 0.00 O ATOM 0 H GLU A 91 56.732 123.047 70.058 1.00 0.00 H new ATOM 0 HA GLU A 91 55.724 125.408 68.461 1.00 0.00 H new ATOM 0 HB2 GLU A 91 56.325 125.535 70.977 1.00 0.00 H new ATOM 0 HB3 GLU A 91 57.952 125.036 70.558 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.241 127.036 69.119 1.00 0.00 H new ATOM 0 HG3 GLU A 91 56.575 127.509 69.388 1.00 0.00 H new ATOM 1338 N THR A 92 58.073 123.522 67.566 1.00 31.63 N ATOM 1339 CA THR A 92 59.149 123.360 66.541 1.00 28.98 C ATOM 1340 C THR A 92 58.592 122.745 65.257 1.00 28.33 C ATOM 1341 O THR A 92 59.042 123.084 64.180 1.00 29.20 O ATOM 1342 CB THR A 92 60.200 122.452 67.181 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.575 122.982 68.444 1.00 29.23 O ATOM 1344 CG2 THR A 92 61.428 122.372 66.273 1.00 25.50 C ATOM 0 H THR A 92 57.729 122.654 67.977 1.00 31.63 H new ATOM 0 HA THR A 92 59.578 124.320 66.255 1.00 28.98 H new ATOM 0 HB THR A 92 59.785 121.453 67.315 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.707 122.249 69.080 1.00 29.23 H new ATOM 0 HG21 THR A 92 62.177 121.725 66.730 1.00 25.50 H new ATOM 0 HG22 THR A 92 61.138 121.965 65.304 1.00 25.50 H new ATOM 0 HG23 THR A 92 61.845 123.370 66.137 1.00 25.50 H new ATOM 1352 N GLU A 93 57.641 121.832 65.368 1.00 0.00 N ATOM 1353 CA GLU A 93 57.014 121.130 64.169 1.00 0.00 C ATOM 1354 C GLU A 93 57.815 119.880 63.781 1.00 0.00 C ATOM 1355 O GLU A 93 57.343 119.050 63.025 1.00 0.00 O ATOM 1356 CB GLU A 93 56.963 122.116 62.984 1.00 0.00 C ATOM 1357 CG GLU A 93 55.894 121.658 61.985 1.00 0.00 C ATOM 1358 CD GLU A 93 55.998 122.476 60.690 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.568 123.555 60.729 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.501 122.006 59.679 1.00 0.00 O ATOM 0 H GLU A 93 57.258 121.532 66.264 1.00 0.00 H new ATOM 0 HA GLU A 93 56.006 120.811 64.432 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.735 123.120 63.342 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.936 122.165 62.495 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.020 120.598 61.766 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.902 121.777 62.421 1.00 0.00 H new ATOM 1367 N GLN A 94 59.017 119.731 64.287 1.00 0.00 N ATOM 1368 CA GLN A 94 59.833 118.526 63.939 1.00 0.00 C ATOM 1369 C GLN A 94 60.575 118.024 65.182 1.00 0.00 C ATOM 1370 O GLN A 94 60.980 118.823 66.009 1.00 0.00 O ATOM 1371 CB GLN A 94 60.831 119.018 62.880 1.00 0.00 C ATOM 1372 CG GLN A 94 61.678 120.167 63.441 1.00 0.00 C ATOM 1373 CD GLN A 94 62.485 120.805 62.309 1.00 0.00 C ATOM 1374 OE1 GLN A 94 61.988 120.975 61.214 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.718 121.170 62.529 1.00 0.00 N ATOM 0 H GLN A 94 59.466 120.390 64.923 1.00 0.00 H new ATOM 0 HA GLN A 94 59.224 117.700 63.572 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.478 118.197 62.571 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.294 119.352 61.992 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.035 120.913 63.909 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.349 119.794 64.215 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.136 121.027 63.449 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.264 121.598 61.781 1.00 0.00 H new ATOM 1384 N GLY A 95 60.783 116.732 65.333 1.00 27.89 N ATOM 1385 CA GLY A 95 61.528 116.267 66.546 1.00 28.05 C ATOM 1386 C GLY A 95 61.300 114.780 66.845 1.00 27.70 C ATOM 1387 O GLY A 95 60.581 114.084 66.158 1.00 25.89 O ATOM 0 H GLY A 95 60.479 116.002 64.689 1.00 27.89 H new ATOM 0 HA2 GLY A 95 62.594 116.446 66.404 1.00 28.05 H new ATOM 0 HA3 GLY A 95 61.218 116.859 67.407 1.00 28.05 H new ATOM 1391 N GLN A 96 61.930 114.312 67.896 1.00 0.00 N ATOM 1392 CA GLN A 96 61.801 112.886 68.317 1.00 0.00 C ATOM 1393 C GLN A 96 61.264 112.818 69.752 1.00 0.00 C ATOM 1394 O GLN A 96 61.753 113.500 70.632 1.00 0.00 O ATOM 1395 CB GLN A 96 63.230 112.340 68.265 1.00 0.00 C ATOM 1396 CG GLN A 96 63.227 110.854 68.631 1.00 0.00 C ATOM 1397 CD GLN A 96 64.657 110.310 68.578 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.503 110.856 67.898 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.963 109.248 69.271 1.00 0.00 N ATOM 0 H GLN A 96 62.540 114.873 68.490 1.00 0.00 H new ATOM 0 HA GLN A 96 61.117 112.320 67.684 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.646 112.478 67.267 1.00 0.00 H new ATOM 0 HB3 GLN A 96 63.867 112.893 68.955 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.811 110.716 69.629 1.00 0.00 H new ATOM 0 HG3 GLN A 96 62.591 110.300 67.941 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.253 108.790 69.842 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.912 108.876 69.242 1.00 0.00 H new ATOM 1408 N MET A 97 60.253 112.018 69.992 1.00 0.00 N ATOM 1409 CA MET A 97 59.678 111.934 71.371 1.00 0.00 C ATOM 1410 C MET A 97 59.623 110.485 71.871 1.00 0.00 C ATOM 1411 O MET A 97 59.033 109.628 71.243 1.00 0.00 O ATOM 1412 CB MET A 97 58.262 112.492 71.231 1.00 0.00 C ATOM 1413 CG MET A 97 57.746 112.932 72.606 1.00 0.00 C ATOM 1414 SD MET A 97 55.993 112.503 72.777 1.00 0.00 S ATOM 1415 CE MET A 97 55.336 114.184 72.667 1.00 0.00 C ATOM 0 H MET A 97 59.803 111.423 69.297 1.00 0.00 H new ATOM 0 HA MET A 97 60.284 112.483 72.092 1.00 0.00 H new ATOM 0 HB2 MET A 97 58.259 113.337 70.543 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.602 111.735 70.808 1.00 0.00 H new ATOM 0 HG2 MET A 97 58.325 112.449 73.393 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.879 114.007 72.727 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.405 114.174 72.100 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.146 114.567 73.670 1.00 0.00 H new ATOM 0 HE3 MET A 97 56.060 114.826 72.165 1.00 0.00 H new ATOM 1425 N GLN A 98 60.214 110.212 73.009 1.00 0.00 N ATOM 1426 CA GLN A 98 60.185 108.830 73.579 1.00 0.00 C ATOM 1427 C GLN A 98 59.463 108.874 74.927 1.00 0.00 C ATOM 1428 O GLN A 98 59.479 109.891 75.598 1.00 0.00 O ATOM 1429 CB GLN A 98 61.653 108.457 73.787 1.00 0.00 C ATOM 1430 CG GLN A 98 62.296 108.120 72.445 1.00 0.00 C ATOM 1431 CD GLN A 98 63.810 107.997 72.621 1.00 0.00 C ATOM 1432 OE1 GLN A 98 64.405 108.724 73.392 1.00 0.00 O ATOM 1433 NE2 GLN A 98 64.466 107.100 71.936 1.00 0.00 N ATOM 0 H GLN A 98 60.720 110.895 73.572 1.00 0.00 H new ATOM 0 HA GLN A 98 59.672 108.114 72.937 1.00 0.00 H new ATOM 0 HB2 GLN A 98 62.185 109.284 74.258 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.729 107.604 74.461 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.887 107.187 72.058 1.00 0.00 H new ATOM 0 HG3 GLN A 98 62.066 108.896 71.715 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.969 106.489 71.288 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.476 107.010 72.048 1.00 0.00 H new ATOM 1442 N GLY A 99 58.824 107.801 75.337 1.00 29.62 N ATOM 1443 CA GLY A 99 58.107 107.844 76.653 1.00 28.62 C ATOM 1444 C GLY A 99 57.947 106.441 77.232 1.00 28.62 C ATOM 1445 O GLY A 99 58.160 105.454 76.560 1.00 29.22 O ATOM 0 H GLY A 99 58.768 106.917 74.831 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.661 108.470 77.353 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.127 108.302 76.523 1.00 28.62 H new ATOM 1449 N HIS A 100 57.566 106.354 78.484 1.00 0.00 N ATOM 1450 CA HIS A 100 57.376 105.017 79.118 1.00 0.00 C ATOM 1451 C HIS A 100 56.102 105.022 79.972 1.00 0.00 C ATOM 1452 O HIS A 100 55.638 106.061 80.404 1.00 0.00 O ATOM 1453 CB HIS A 100 58.615 104.797 79.988 1.00 0.00 C ATOM 1454 CG HIS A 100 59.843 104.737 79.120 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.400 105.869 78.547 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.636 103.688 78.727 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.480 105.478 77.845 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.669 104.158 77.921 1.00 0.00 N ATOM 0 H HIS A 100 57.379 107.152 79.091 1.00 0.00 H new ATOM 0 HA HIS A 100 57.264 104.222 78.381 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.710 105.606 80.713 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.513 103.871 80.554 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.482 102.655 79.001 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.116 106.150 77.288 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.411 103.612 77.483 1.00 0.00 H new ATOM 1466 N TYR A 101 55.536 103.867 80.213 1.00 25.77 N ATOM 1467 CA TYR A 101 54.286 103.791 81.032 1.00 25.79 C ATOM 1468 C TYR A 101 54.536 102.973 82.301 1.00 26.52 C ATOM 1469 O TYR A 101 54.978 101.842 82.228 1.00 27.05 O ATOM 1470 CB TYR A 101 53.266 103.073 80.141 1.00 24.67 C ATOM 1471 CG TYR A 101 52.736 103.998 79.062 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.372 105.320 79.360 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.606 103.520 77.752 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.881 106.156 78.350 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.116 104.356 76.744 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.754 105.674 77.042 1.00 23.58 C ATOM 1477 OH TYR A 101 51.267 106.496 76.046 1.00 25.91 O ATOM 0 H TYR A 101 55.886 102.970 79.877 1.00 25.77 H new ATOM 0 HA TYR A 101 53.941 104.777 81.342 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.731 102.201 79.681 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.439 102.709 80.750 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.471 105.693 80.369 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.885 102.503 77.520 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.600 107.173 78.580 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.017 103.984 75.735 1.00 24.17 H new ATOM 0 HH TYR A 101 51.982 107.087 75.731 1.00 25.91 H new ATOM 1487 N ASP A 102 54.222 103.500 83.459 1.00 0.00 N ATOM 1488 CA ASP A 102 54.408 102.708 84.713 1.00 0.00 C ATOM 1489 C ASP A 102 53.164 101.844 84.938 1.00 0.00 C ATOM 1490 O ASP A 102 52.055 102.334 85.029 1.00 0.00 O ATOM 1491 CB ASP A 102 54.590 103.730 85.838 1.00 0.00 C ATOM 1492 CG ASP A 102 55.926 104.455 85.663 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.860 103.831 85.184 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.994 105.622 86.012 1.00 0.00 O ATOM 0 H ASP A 102 53.847 104.440 83.589 1.00 0.00 H new ATOM 0 HA ASP A 102 55.269 102.041 84.668 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.771 104.449 85.826 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.561 103.229 86.806 1.00 0.00 H new ATOM 1499 N MET A 103 53.358 100.554 85.006 1.00 0.00 N ATOM 1500 CA MET A 103 52.214 99.613 85.200 1.00 0.00 C ATOM 1501 C MET A 103 52.438 98.738 86.434 1.00 0.00 C ATOM 1502 O MET A 103 53.538 98.636 86.944 1.00 0.00 O ATOM 1503 CB MET A 103 52.215 98.747 83.942 1.00 0.00 C ATOM 1504 CG MET A 103 51.973 99.624 82.712 1.00 0.00 C ATOM 1505 SD MET A 103 51.644 98.570 81.279 1.00 0.00 S ATOM 1506 CE MET A 103 50.016 97.976 81.803 1.00 0.00 C ATOM 0 H MET A 103 54.271 100.106 84.935 1.00 0.00 H new ATOM 0 HA MET A 103 51.271 100.139 85.351 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.168 98.227 83.848 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.441 97.983 84.014 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.129 100.292 82.888 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.843 100.253 82.523 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.365 97.886 80.934 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.121 97.002 82.281 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.581 98.682 82.510 1.00 0.00 H new ATOM 1516 N VAL A 104 51.397 98.102 86.911 1.00 21.01 N ATOM 1517 CA VAL A 104 51.536 97.223 88.112 1.00 21.69 C ATOM 1518 C VAL A 104 50.647 95.982 87.971 1.00 22.60 C ATOM 1519 O VAL A 104 49.465 96.084 87.703 1.00 22.32 O ATOM 1520 CB VAL A 104 51.074 98.066 89.313 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.132 99.122 89.633 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.732 98.753 89.014 1.00 23.28 C ATOM 0 H VAL A 104 50.456 98.154 86.520 1.00 21.01 H new ATOM 0 HA VAL A 104 52.563 96.878 88.233 1.00 21.69 H new ATOM 0 HB VAL A 104 50.941 97.406 90.170 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.804 99.719 90.484 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.074 98.631 89.876 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.273 99.770 88.768 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.425 99.343 89.877 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.843 99.406 88.148 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.975 97.997 88.804 1.00 23.28 H new ATOM 1532 N ALA A 105 51.203 94.815 88.170 1.00 0.00 N ATOM 1533 CA ALA A 105 50.387 93.567 88.073 1.00 0.00 C ATOM 1534 C ALA A 105 49.484 93.459 89.302 1.00 0.00 C ATOM 1535 O ALA A 105 49.662 94.175 90.269 1.00 0.00 O ATOM 1536 CB ALA A 105 51.403 92.423 88.051 1.00 0.00 C ATOM 0 H ALA A 105 52.187 94.672 88.396 1.00 0.00 H new ATOM 0 HA ALA A 105 49.747 93.550 87.191 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.877 91.471 87.981 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.062 92.538 87.190 1.00 0.00 H new ATOM 0 HB3 ALA A 105 51.995 92.444 88.966 1.00 0.00 H new ATOM 1542 N ASP A 106 48.514 92.578 89.271 1.00 0.00 N ATOM 1543 CA ASP A 106 47.599 92.444 90.448 1.00 0.00 C ATOM 1544 C ASP A 106 48.387 91.973 91.678 1.00 0.00 C ATOM 1545 O ASP A 106 48.033 92.272 92.803 1.00 0.00 O ATOM 1546 CB ASP A 106 46.545 91.405 90.035 1.00 0.00 C ATOM 1547 CG ASP A 106 47.199 90.043 89.763 1.00 0.00 C ATOM 1548 OD1 ASP A 106 48.380 90.017 89.460 1.00 0.00 O ATOM 1549 OD2 ASP A 106 46.503 89.046 89.864 1.00 0.00 O ATOM 0 H ASP A 106 48.317 91.952 88.490 1.00 0.00 H new ATOM 0 HA ASP A 106 47.133 93.392 90.717 1.00 0.00 H new ATOM 0 HB2 ASP A 106 45.799 91.304 90.823 1.00 0.00 H new ATOM 0 HB3 ASP A 106 46.021 91.747 89.142 1.00 0.00 H new ATOM 1554 N ASP A 107 49.449 91.235 91.469 1.00 0.00 N ATOM 1555 CA ASP A 107 50.262 90.738 92.621 1.00 0.00 C ATOM 1556 C ASP A 107 51.094 91.871 93.238 1.00 0.00 C ATOM 1557 O ASP A 107 51.638 91.725 94.317 1.00 0.00 O ATOM 1558 CB ASP A 107 51.179 89.664 92.030 1.00 0.00 C ATOM 1559 CG ASP A 107 50.352 88.437 91.642 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.374 88.165 92.320 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.711 87.788 90.673 1.00 0.00 O ATOM 0 H ASP A 107 49.788 90.955 90.549 1.00 0.00 H new ATOM 0 HA ASP A 107 49.630 90.348 93.419 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.698 90.056 91.155 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.943 89.385 92.756 1.00 0.00 H new ATOM 1566 N GLY A 108 51.201 92.992 92.567 1.00 30.43 N ATOM 1567 CA GLY A 108 52.002 94.123 93.122 1.00 29.11 C ATOM 1568 C GLY A 108 53.341 94.243 92.381 1.00 29.35 C ATOM 1569 O GLY A 108 54.092 95.174 92.608 1.00 30.17 O ATOM 0 H GLY A 108 50.768 93.171 91.661 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.442 95.054 93.029 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.180 93.964 94.185 1.00 29.11 H new ATOM 1573 N THR A 109 53.655 93.315 91.500 1.00 0.00 N ATOM 1574 CA THR A 109 54.957 93.397 90.758 1.00 0.00 C ATOM 1575 C THR A 109 55.033 94.715 89.979 1.00 0.00 C ATOM 1576 O THR A 109 54.065 95.137 89.374 1.00 0.00 O ATOM 1577 CB THR A 109 54.945 92.207 89.793 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.723 91.010 90.525 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.288 92.124 89.066 1.00 0.00 C ATOM 0 H THR A 109 53.071 92.512 91.266 1.00 0.00 H new ATOM 0 HA THR A 109 55.816 93.367 91.428 1.00 0.00 H new ATOM 0 HB THR A 109 54.148 92.338 89.061 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.616 90.261 89.902 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.279 91.277 88.380 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.456 93.044 88.505 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.088 91.992 89.794 1.00 0.00 H new ATOM 1587 N GLU A 110 56.166 95.373 89.997 1.00 0.00 N ATOM 1588 CA GLU A 110 56.284 96.668 89.261 1.00 0.00 C ATOM 1589 C GLU A 110 57.016 96.476 87.928 1.00 0.00 C ATOM 1590 O GLU A 110 57.986 95.748 87.837 1.00 0.00 O ATOM 1591 CB GLU A 110 57.081 97.586 90.189 1.00 0.00 C ATOM 1592 CG GLU A 110 56.222 97.957 91.402 1.00 0.00 C ATOM 1593 CD GLU A 110 57.010 98.879 92.343 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.228 98.895 92.256 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.377 99.554 93.138 1.00 0.00 O ATOM 0 H GLU A 110 57.009 95.071 90.486 1.00 0.00 H new ATOM 0 HA GLU A 110 55.307 97.084 89.017 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.994 97.087 90.515 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.383 98.487 89.655 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.309 98.454 91.073 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.920 97.055 91.933 1.00 0.00 H new ATOM 1602 N PHE A 111 56.553 97.137 86.898 1.00 27.41 N ATOM 1603 CA PHE A 111 57.205 97.022 85.560 1.00 27.50 C ATOM 1604 C PHE A 111 56.755 98.183 84.661 1.00 28.03 C ATOM 1605 O PHE A 111 55.617 98.609 84.701 1.00 27.72 O ATOM 1606 CB PHE A 111 56.767 95.655 85.003 1.00 26.12 C ATOM 1607 CG PHE A 111 55.291 95.652 84.665 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.346 95.346 85.651 1.00 23.96 C ATOM 1609 CD2 PHE A 111 54.871 95.949 83.362 1.00 25.33 C ATOM 1610 CE1 PHE A 111 52.982 95.337 85.334 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.509 95.938 83.045 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.564 95.633 84.032 1.00 23.73 C ATOM 0 H PHE A 111 55.744 97.757 86.928 1.00 27.41 H new ATOM 0 HA PHE A 111 58.292 97.081 85.614 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.348 95.419 84.111 1.00 26.12 H new ATOM 0 HB3 PHE A 111 56.977 94.876 85.736 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.669 95.117 86.656 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.600 96.187 82.601 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.253 95.102 86.095 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.186 96.165 82.040 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.512 95.626 83.788 1.00 23.73 H new ATOM 1622 N ILE A 112 57.656 98.703 83.871 1.00 0.00 N ATOM 1623 CA ILE A 112 57.315 99.851 82.978 1.00 0.00 C ATOM 1624 C ILE A 112 57.094 99.374 81.538 1.00 0.00 C ATOM 1625 O ILE A 112 57.579 98.333 81.135 1.00 0.00 O ATOM 1626 CB ILE A 112 58.529 100.786 83.057 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.738 101.236 84.507 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.288 102.019 82.183 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.080 101.959 84.629 1.00 0.00 C ATOM 0 H ILE A 112 58.621 98.380 83.805 1.00 0.00 H new ATOM 0 HA ILE A 112 56.393 100.346 83.283 1.00 0.00 H new ATOM 0 HB ILE A 112 59.412 100.253 82.705 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.928 101.897 84.814 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.716 100.374 85.173 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.152 102.681 82.241 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.138 101.708 81.149 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.402 102.547 82.535 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.228 102.279 85.660 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.885 101.284 84.339 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.085 102.831 83.974 1.00 0.00 H new ATOM 1641 N ALA A 113 56.379 100.144 80.761 1.00 0.00 N ATOM 1642 CA ALA A 113 56.130 99.774 79.338 1.00 0.00 C ATOM 1643 C ALA A 113 56.696 100.876 78.428 1.00 0.00 C ATOM 1644 O ALA A 113 56.048 101.876 78.195 1.00 0.00 O ATOM 1645 CB ALA A 113 54.609 99.682 79.202 1.00 0.00 C ATOM 0 H ALA A 113 55.953 101.023 81.055 1.00 0.00 H new ATOM 0 HA ALA A 113 56.606 98.835 79.054 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.351 99.413 78.178 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.228 98.922 79.884 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.163 100.646 79.447 1.00 0.00 H new ATOM 1651 N PRO A 114 57.905 100.658 77.961 1.00 31.26 N ATOM 1652 CA PRO A 114 58.541 101.688 77.089 1.00 32.26 C ATOM 1653 C PRO A 114 57.730 101.949 75.815 1.00 31.77 C ATOM 1654 O PRO A 114 57.114 101.069 75.248 1.00 33.24 O ATOM 1655 CB PRO A 114 59.904 101.096 76.740 1.00 32.64 C ATOM 1656 CG PRO A 114 59.725 99.625 76.881 1.00 33.31 C ATOM 1657 CD PRO A 114 58.710 99.420 77.970 1.00 32.61 C ATOM 0 HA PRO A 114 58.607 102.652 77.594 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.204 101.363 75.727 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.680 101.466 77.410 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.383 99.184 75.944 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.669 99.142 77.135 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.092 98.543 77.777 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.190 99.265 78.936 1.00 32.61 H new ATOM 1665 N ILE A 115 57.758 103.178 75.372 1.00 30.59 N ATOM 1666 CA ILE A 115 57.030 103.574 74.131 1.00 30.04 C ATOM 1667 C ILE A 115 58.054 103.912 73.048 1.00 30.45 C ATOM 1668 O ILE A 115 58.889 104.788 73.225 1.00 30.15 O ATOM 1669 CB ILE A 115 56.215 104.819 74.499 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.299 104.510 75.689 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.360 105.237 73.302 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.680 105.810 76.206 1.00 28.50 C ATOM 0 H ILE A 115 58.264 103.938 75.827 1.00 30.59 H new ATOM 0 HA ILE A 115 56.383 102.781 73.756 1.00 30.04 H new ATOM 0 HB ILE A 115 56.896 105.626 74.768 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.515 103.816 75.387 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.867 104.024 76.482 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.779 106.122 73.561 1.00 25.80 H new ATOM 0 HG22 ILE A 115 56.007 105.463 72.454 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.684 104.424 73.036 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.028 105.591 77.052 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.472 106.489 76.523 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.098 106.277 75.411 1.00 28.50 H new ATOM 1684 N ALA A 116 57.996 103.220 71.934 1.00 30.78 N ATOM 1685 CA ALA A 116 58.965 103.464 70.813 1.00 29.78 C ATOM 1686 C ALA A 116 59.102 104.956 70.500 1.00 29.57 C ATOM 1687 O ALA A 116 58.268 105.758 70.876 1.00 28.51 O ATOM 1688 CB ALA A 116 58.372 102.725 69.611 1.00 27.76 C ATOM 0 H ALA A 116 57.311 102.487 71.750 1.00 30.78 H new ATOM 0 HA ALA A 116 59.965 103.115 71.071 1.00 29.78 H new ATOM 0 HB1 ALA A 116 59.023 102.854 68.747 1.00 27.76 H new ATOM 0 HB2 ALA A 116 58.284 101.664 69.843 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.385 103.130 69.386 1.00 27.76 H new ATOM 1694 N ALA A 117 60.157 105.331 69.822 1.00 0.00 N ATOM 1695 CA ALA A 117 60.371 106.767 69.487 1.00 0.00 C ATOM 1696 C ALA A 117 59.920 107.064 68.057 1.00 0.00 C ATOM 1697 O ALA A 117 60.407 106.476 67.109 1.00 0.00 O ATOM 1698 CB ALA A 117 61.880 106.974 69.609 1.00 0.00 C ATOM 0 H ALA A 117 60.883 104.698 69.485 1.00 0.00 H new ATOM 0 HA ALA A 117 59.801 107.426 70.142 1.00 0.00 H new ATOM 0 HB1 ALA A 117 62.125 108.011 69.378 1.00 0.00 H new ATOM 0 HB2 ALA A 117 62.198 106.744 70.626 1.00 0.00 H new ATOM 0 HB3 ALA A 117 62.395 106.315 68.910 1.00 0.00 H new ATOM 1704 N PHE A 118 59.017 107.994 67.895 1.00 29.64 N ATOM 1705 CA PHE A 118 58.553 108.367 66.528 1.00 29.08 C ATOM 1706 C PHE A 118 59.082 109.765 66.203 1.00 30.66 C ATOM 1707 O PHE A 118 59.491 110.493 67.089 1.00 30.55 O ATOM 1708 CB PHE A 118 57.019 108.339 66.574 1.00 25.73 C ATOM 1709 CG PHE A 118 56.502 109.273 67.645 1.00 23.37 C ATOM 1710 CD1 PHE A 118 56.308 110.629 67.356 1.00 22.18 C ATOM 1711 CD2 PHE A 118 56.207 108.779 68.921 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.820 111.491 68.346 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.718 109.642 69.910 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.526 110.998 69.622 1.00 21.66 C ATOM 0 H PHE A 118 58.579 108.514 68.655 1.00 29.64 H new ATOM 0 HA PHE A 118 58.913 107.688 65.755 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.615 108.630 65.604 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.674 107.324 66.771 1.00 25.73 H new ATOM 0 HD1 PHE A 118 56.534 111.010 66.371 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.356 107.733 69.143 1.00 22.99 H new ATOM 0 HE1 PHE A 118 55.670 112.537 68.124 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.489 109.261 70.894 1.00 21.66 H new ATOM 0 HZ PHE A 118 55.151 111.664 70.385 1.00 21.66 H new ATOM 1724 N VAL A 119 59.087 110.147 64.952 1.00 0.00 N ATOM 1725 CA VAL A 119 59.605 111.502 64.591 1.00 0.00 C ATOM 1726 C VAL A 119 58.473 112.373 64.043 1.00 0.00 C ATOM 1727 O VAL A 119 57.487 111.880 63.528 1.00 0.00 O ATOM 1728 CB VAL A 119 60.670 111.254 63.516 1.00 0.00 C ATOM 1729 CG1 VAL A 119 61.284 112.587 63.081 1.00 0.00 C ATOM 1730 CG2 VAL A 119 61.772 110.355 64.084 1.00 0.00 C ATOM 0 H VAL A 119 58.757 109.584 64.168 1.00 0.00 H new ATOM 0 HA VAL A 119 60.018 112.027 65.452 1.00 0.00 H new ATOM 0 HB VAL A 119 60.206 110.769 62.658 1.00 0.00 H new ATOM 0 HG11 VAL A 119 62.040 112.407 62.317 1.00 0.00 H new ATOM 0 HG12 VAL A 119 60.504 113.231 62.675 1.00 0.00 H new ATOM 0 HG13 VAL A 119 61.745 113.073 63.941 1.00 0.00 H new ATOM 0 HG21 VAL A 119 62.528 110.179 63.319 1.00 0.00 H new ATOM 0 HG22 VAL A 119 62.232 110.842 64.944 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.341 109.403 64.394 1.00 0.00 H new ATOM 1740 N LEU A 120 58.618 113.668 64.148 1.00 36.62 N ATOM 1741 CA LEU A 120 57.569 114.592 63.631 1.00 37.66 C ATOM 1742 C LEU A 120 58.104 115.334 62.406 1.00 38.64 C ATOM 1743 O LEU A 120 59.203 115.856 62.422 1.00 37.83 O ATOM 1744 CB LEU A 120 57.272 115.577 64.769 1.00 38.14 C ATOM 1745 CG LEU A 120 56.465 114.890 65.881 1.00 37.94 C ATOM 1746 CD1 LEU A 120 57.338 113.875 66.622 1.00 39.15 C ATOM 1747 CD2 LEU A 120 55.965 115.947 66.868 1.00 37.30 C ATOM 0 H LEU A 120 59.424 114.127 64.573 1.00 36.62 H new ATOM 0 HA LEU A 120 56.667 114.060 63.330 1.00 37.66 H new ATOM 0 HB2 LEU A 120 58.206 115.964 65.176 1.00 38.14 H new ATOM 0 HB3 LEU A 120 56.715 116.431 64.382 1.00 38.14 H new ATOM 0 HG LEU A 120 55.619 114.368 65.435 1.00 37.94 H new ATOM 0 HD11 LEU A 120 56.753 113.396 67.407 1.00 39.15 H new ATOM 0 HD12 LEU A 120 57.692 113.119 65.921 1.00 39.15 H new ATOM 0 HD13 LEU A 120 58.192 114.386 67.067 1.00 39.15 H new ATOM 0 HD21 LEU A 120 55.392 115.464 67.659 1.00 37.30 H new ATOM 0 HD22 LEU A 120 56.817 116.469 67.304 1.00 37.30 H new ATOM 0 HD23 LEU A 120 55.330 116.662 66.345 1.00 37.30 H new ATOM 1759 N SER A 121 57.337 115.375 61.348 1.00 0.00 N ATOM 1760 CA SER A 121 57.792 116.077 60.110 1.00 0.00 C ATOM 1761 C SER A 121 56.584 116.570 59.310 1.00 0.00 C ATOM 1762 O SER A 121 56.713 117.361 58.396 1.00 0.00 O ATOM 1763 CB SER A 121 58.566 115.023 59.319 1.00 0.00 C ATOM 1764 OG SER A 121 57.785 113.839 59.227 1.00 0.00 O ATOM 0 H SER A 121 56.411 114.951 61.287 1.00 0.00 H new ATOM 0 HA SER A 121 58.405 116.951 60.331 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.799 115.398 58.322 1.00 0.00 H new ATOM 0 HB3 SER A 121 59.516 114.809 59.809 1.00 0.00 H new ATOM 0 HG SER A 121 58.277 113.161 58.719 1.00 0.00 H new TER 1770 SER A 121