USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HE2:sc= -1.17 K(o=-4.8,f=-7.2!) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -3.65 X(o=-4.8,f=-5!) USER MOD Set 2.1: A 33 TYR OH : rot 69:sc= 0.849 USER MOD Set 2.2: A 86 SER OG : rot -120:sc= 1.7 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -0.481 USER MOD Set 3.2: A 101 TYR OH : rot -82:sc= 0.58 USER MOD Set 4.1: A 7 TYR OH : rot -32:sc= 1.18 USER MOD Set 4.2: A 109 THR OG1 : rot 150:sc= 0.764 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=-0.08) USER MOD Single : A 21 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1.9!) USER MOD Single : A 22 SER OG : rot -124:sc= 1.27 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -88:sc= 0.222 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00366 K(o=-0.0037,f=-1.5) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.48 F(o=-2.7,f=-1.5) USER MOD Single : A 53 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 58 ASN : amide:sc=-0.000184 X(o=-0.00018,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 73 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.7) USER MOD Single : A 83 HIS : no HD1:sc= -0.732 K(o=-0.73,f=-2.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 125:sc= 0.973 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 96 GLN : amide:sc= -2.19 K(o=-2.2,f=-4.4!) USER MOD Single : A 97 MET CE :methyl -145:sc= -2.54! (180deg=-3.69!) USER MOD Single : A 98 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 103 MET CE :methyl -110:sc= -1.52 (180deg=-3.07!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 54.584 87.096 81.098 1.00 0.00 N ATOM 2 CA ARG A 6 53.603 87.316 82.199 1.00 0.00 C ATOM 3 C ARG A 6 53.458 88.812 82.486 1.00 0.00 C ATOM 4 O ARG A 6 52.362 89.315 82.659 1.00 0.00 O ATOM 5 CB ARG A 6 54.198 86.592 83.408 1.00 0.00 C ATOM 6 CG ARG A 6 54.142 85.081 83.179 1.00 0.00 C ATOM 7 CD ARG A 6 54.736 84.357 84.388 1.00 0.00 C ATOM 8 NE ARG A 6 54.725 82.915 84.017 1.00 0.00 N ATOM 9 CZ ARG A 6 53.704 82.168 84.334 1.00 0.00 C ATOM 10 NH1 ARG A 6 53.674 81.557 85.487 1.00 0.00 N ATOM 11 NH2 ARG A 6 52.711 82.031 83.498 1.00 0.00 N ATOM 0 HA ARG A 6 52.609 86.944 81.949 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.229 86.909 83.563 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.645 86.854 84.310 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.111 84.765 83.023 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.695 84.819 82.277 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.748 84.703 84.597 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.145 84.538 85.286 1.00 0.00 H new ATOM 0 HE ARG A 6 55.516 82.511 83.515 1.00 0.00 H new ATOM 0 HH11 ARG A 6 54.449 81.664 86.141 1.00 0.00 H new ATOM 0 HH12 ARG A 6 52.875 80.973 85.734 1.00 0.00 H new ATOM 0 HH21 ARG A 6 52.734 82.508 82.597 1.00 0.00 H new ATOM 0 HH22 ARG A 6 51.913 81.447 83.746 1.00 0.00 H new ATOM 25 N TYR A 7 54.558 89.523 82.537 1.00 31.93 N ATOM 26 CA TYR A 7 54.503 90.992 82.813 1.00 29.59 C ATOM 27 C TYR A 7 54.942 91.773 81.570 1.00 29.68 C ATOM 28 O TYR A 7 56.066 92.228 81.473 1.00 30.50 O ATOM 29 CB TYR A 7 55.480 91.224 83.970 1.00 27.35 C ATOM 30 CG TYR A 7 55.046 90.420 85.174 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.775 90.618 85.728 1.00 23.78 C ATOM 32 CD2 TYR A 7 55.914 89.475 85.734 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.373 89.873 86.842 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.512 88.730 86.848 1.00 22.47 C ATOM 35 CZ TYR A 7 54.242 88.928 87.402 1.00 22.87 C ATOM 36 OH TYR A 7 53.846 88.193 88.500 1.00 25.71 O ATOM 0 H TYR A 7 55.496 89.147 82.399 1.00 31.93 H new ATOM 0 HA TYR A 7 53.497 91.328 83.065 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.487 90.934 83.671 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.515 92.284 84.222 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.105 91.346 85.295 1.00 23.78 H new ATOM 0 HD2 TYR A 7 56.894 89.321 85.306 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.393 90.027 87.270 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.182 88.002 87.281 1.00 22.47 H new ATOM 0 HH TYR A 7 53.245 88.732 89.055 1.00 25.71 H new ATOM 46 N ARG A 8 54.058 91.922 80.621 1.00 0.00 N ATOM 47 CA ARG A 8 54.390 92.662 79.367 1.00 0.00 C ATOM 48 C ARG A 8 53.223 93.562 78.956 1.00 0.00 C ATOM 49 O ARG A 8 52.066 93.224 79.107 1.00 0.00 O ATOM 50 CB ARG A 8 54.626 91.576 78.316 1.00 0.00 C ATOM 51 CG ARG A 8 56.013 90.963 78.518 1.00 0.00 C ATOM 52 CD ARG A 8 56.252 89.880 77.462 1.00 0.00 C ATOM 53 NE ARG A 8 55.504 88.691 77.953 1.00 0.00 N ATOM 54 CZ ARG A 8 55.838 87.497 77.547 1.00 0.00 C ATOM 55 NH1 ARG A 8 55.752 87.189 76.282 1.00 0.00 N ATOM 56 NH2 ARG A 8 56.261 86.610 78.406 1.00 0.00 N ATOM 0 H ARG A 8 53.106 91.558 80.661 1.00 0.00 H new ATOM 0 HA ARG A 8 55.259 93.308 79.488 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.860 90.804 78.397 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.547 92.000 77.315 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.778 91.735 78.442 1.00 0.00 H new ATOM 0 HG3 ARG A 8 56.091 90.535 79.517 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.891 90.197 76.483 1.00 0.00 H new ATOM 0 HD3 ARG A 8 57.314 89.661 77.355 1.00 0.00 H new ATOM 0 HE ARG A 8 54.730 88.809 78.607 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.423 87.882 75.610 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.013 86.255 75.966 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.330 86.850 79.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 56.522 85.677 78.088 1.00 0.00 H new ATOM 70 N VAL A 9 53.546 94.720 78.441 1.00 0.00 N ATOM 71 CA VAL A 9 52.508 95.698 78.004 1.00 0.00 C ATOM 72 C VAL A 9 53.063 96.541 76.851 1.00 0.00 C ATOM 73 O VAL A 9 53.998 97.302 77.012 1.00 0.00 O ATOM 74 CB VAL A 9 52.234 96.571 79.235 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.215 97.663 78.886 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.668 95.702 80.360 1.00 0.00 C ATOM 0 H VAL A 9 54.506 95.034 78.303 1.00 0.00 H new ATOM 0 HA VAL A 9 51.597 95.217 77.648 1.00 0.00 H new ATOM 0 HB VAL A 9 53.167 97.034 79.556 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.026 98.279 79.765 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.610 98.287 78.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.283 97.201 78.560 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.473 96.322 81.235 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.739 95.238 80.029 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.389 94.926 80.618 1.00 0.00 H new ATOM 86 N GLU A 10 52.470 96.419 75.695 1.00 0.00 N ATOM 87 CA GLU A 10 52.907 97.208 74.507 1.00 0.00 C ATOM 88 C GLU A 10 51.895 98.317 74.222 1.00 0.00 C ATOM 89 O GLU A 10 50.704 98.086 74.140 1.00 0.00 O ATOM 90 CB GLU A 10 52.932 96.201 73.357 1.00 0.00 C ATOM 91 CG GLU A 10 54.062 95.196 73.582 1.00 0.00 C ATOM 92 CD GLU A 10 54.087 94.189 72.430 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.395 93.188 72.530 1.00 0.00 O ATOM 94 OE2 GLU A 10 54.797 94.435 71.469 1.00 0.00 O ATOM 0 H GLU A 10 51.684 95.792 75.520 1.00 0.00 H new ATOM 0 HA GLU A 10 53.876 97.685 74.654 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.976 95.681 73.294 1.00 0.00 H new ATOM 0 HB3 GLU A 10 53.076 96.719 72.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 55.018 95.716 73.645 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.918 94.677 74.530 1.00 0.00 H new ATOM 101 N VAL A 11 52.377 99.522 74.071 1.00 26.88 N ATOM 102 CA VAL A 11 51.475 100.675 73.788 1.00 26.83 C ATOM 103 C VAL A 11 51.807 101.265 72.414 1.00 27.58 C ATOM 104 O VAL A 11 52.962 101.394 72.050 1.00 28.21 O ATOM 105 CB VAL A 11 51.758 101.690 74.901 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.882 102.933 74.702 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.443 101.061 76.263 1.00 25.75 C ATOM 0 H VAL A 11 53.367 99.758 74.132 1.00 26.88 H new ATOM 0 HA VAL A 11 50.423 100.389 73.768 1.00 26.83 H new ATOM 0 HB VAL A 11 52.809 101.977 74.865 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.086 103.652 75.495 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.106 103.385 73.736 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.831 102.646 74.734 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.645 101.784 77.053 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.393 100.771 76.296 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.067 100.180 76.410 1.00 25.75 H new ATOM 117 N GLU A 12 50.807 101.622 71.651 1.00 0.00 N ATOM 118 CA GLU A 12 51.054 102.206 70.299 1.00 0.00 C ATOM 119 C GLU A 12 50.435 103.604 70.217 1.00 0.00 C ATOM 120 O GLU A 12 49.325 103.828 70.663 1.00 0.00 O ATOM 121 CB GLU A 12 50.356 101.254 69.326 1.00 0.00 C ATOM 122 CG GLU A 12 50.725 101.630 67.888 1.00 0.00 C ATOM 123 CD GLU A 12 52.222 101.402 67.663 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.761 100.487 68.265 1.00 0.00 O ATOM 125 OE2 GLU A 12 52.805 102.147 66.893 1.00 0.00 O ATOM 0 H GLU A 12 49.824 101.534 71.908 1.00 0.00 H new ATOM 0 HA GLU A 12 52.116 102.310 70.076 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.653 100.225 69.531 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.276 101.307 69.461 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.146 101.030 67.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.474 102.674 67.699 1.00 0.00 H new ATOM 132 N VAL A 13 51.149 104.541 69.651 1.00 26.55 N ATOM 133 CA VAL A 13 50.617 105.934 69.536 1.00 26.45 C ATOM 134 C VAL A 13 50.727 106.423 68.091 1.00 27.95 C ATOM 135 O VAL A 13 51.729 106.225 67.429 1.00 27.94 O ATOM 136 CB VAL A 13 51.494 106.781 70.465 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.006 108.232 70.450 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.409 106.235 71.895 1.00 26.97 C ATOM 0 H VAL A 13 52.081 104.402 69.261 1.00 26.55 H new ATOM 0 HA VAL A 13 49.564 105.996 69.812 1.00 26.45 H new ATOM 0 HB VAL A 13 52.527 106.738 70.119 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.631 108.833 71.111 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.067 108.626 69.436 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.972 108.272 70.793 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.034 106.839 72.553 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.375 106.275 72.239 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.758 105.202 71.912 1.00 26.97 H new ATOM 148 N SER A 14 49.692 107.060 67.598 1.00 0.00 N ATOM 149 CA SER A 14 49.713 107.568 66.194 1.00 0.00 C ATOM 150 C SER A 14 49.412 109.075 66.162 1.00 0.00 C ATOM 151 O SER A 14 48.277 109.481 66.330 1.00 0.00 O ATOM 152 CB SER A 14 48.616 106.785 65.474 1.00 0.00 C ATOM 153 OG SER A 14 48.914 105.396 65.533 1.00 0.00 O ATOM 0 H SER A 14 48.831 107.250 68.111 1.00 0.00 H new ATOM 0 HA SER A 14 50.687 107.434 65.723 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.649 106.981 65.938 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.543 107.109 64.436 1.00 0.00 H new ATOM 0 HG SER A 14 48.211 104.891 65.073 1.00 0.00 H new ATOM 159 N PRO A 15 50.445 109.857 65.942 1.00 28.75 N ATOM 160 CA PRO A 15 50.238 111.333 65.886 1.00 30.20 C ATOM 161 C PRO A 15 49.740 111.760 64.500 1.00 33.00 C ATOM 162 O PRO A 15 49.808 111.016 63.541 1.00 32.76 O ATOM 163 CB PRO A 15 51.619 111.917 66.162 1.00 29.34 C ATOM 164 CG PRO A 15 52.576 110.852 65.749 1.00 29.59 C ATOM 165 CD PRO A 15 51.886 109.533 65.965 1.00 28.91 C ATOM 0 HA PRO A 15 49.488 111.675 66.600 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.780 112.834 65.596 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.738 112.168 67.216 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.859 110.972 64.703 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.493 110.908 66.336 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.144 108.818 65.184 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.176 109.085 66.915 1.00 28.91 H new ATOM 173 N ARG A 16 49.236 112.964 64.404 1.00 34.77 N ATOM 174 CA ARG A 16 48.714 113.482 63.102 1.00 37.64 C ATOM 175 C ARG A 16 48.702 115.015 63.119 1.00 38.99 C ATOM 176 O ARG A 16 48.233 115.639 64.054 1.00 38.96 O ATOM 177 CB ARG A 16 47.292 112.922 62.972 1.00 40.22 C ATOM 178 CG ARG A 16 46.444 113.356 64.171 1.00 43.41 C ATOM 179 CD ARG A 16 45.047 112.736 64.061 1.00 47.90 C ATOM 180 NE ARG A 16 44.473 113.285 62.798 1.00 51.85 N ATOM 181 CZ ARG A 16 43.346 112.812 62.336 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.234 113.030 62.984 1.00 53.27 N ATOM 183 NH2 ARG A 16 43.334 112.123 61.229 1.00 54.10 N ATOM 0 H ARG A 16 49.163 113.619 65.183 1.00 34.77 H new ATOM 0 HA ARG A 16 49.334 113.177 62.259 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.836 113.276 62.047 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.325 111.834 62.915 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.921 113.042 65.100 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.369 114.443 64.203 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.101 111.648 64.029 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.431 112.999 64.921 1.00 47.90 H new ATOM 0 HE ARG A 16 44.959 114.028 62.296 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.246 113.569 63.850 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.354 112.661 62.624 1.00 53.27 H new ATOM 0 HH21 ARG A 16 44.204 111.954 60.724 1.00 54.10 H new ATOM 0 HH22 ARG A 16 42.455 111.753 60.868 1.00 54.10 H new ATOM 197 N PHE A 17 49.241 115.617 62.091 1.00 0.00 N ATOM 198 CA PHE A 17 49.301 117.112 62.018 1.00 0.00 C ATOM 199 C PHE A 17 47.896 117.728 62.029 1.00 0.00 C ATOM 200 O PHE A 17 46.990 117.246 61.377 1.00 0.00 O ATOM 201 CB PHE A 17 49.998 117.411 60.688 1.00 0.00 C ATOM 202 CG PHE A 17 50.219 118.900 60.552 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.220 119.529 61.302 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.427 119.649 59.674 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.428 120.907 61.175 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.635 121.028 59.547 1.00 0.00 C ATOM 207 CZ PHE A 17 50.636 121.656 60.297 1.00 0.00 C ATOM 0 H PHE A 17 49.647 115.134 61.290 1.00 0.00 H new ATOM 0 HA PHE A 17 49.828 117.534 62.874 1.00 0.00 H new ATOM 0 HB2 PHE A 17 50.952 116.886 60.640 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.392 117.046 59.859 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.832 118.951 61.979 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.656 119.164 59.095 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.199 121.392 61.754 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.023 121.607 58.871 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.797 122.719 60.198 1.00 0.00 H new ATOM 217 N LEU A 18 47.719 118.800 62.761 1.00 0.00 N ATOM 218 CA LEU A 18 46.384 119.473 62.816 1.00 0.00 C ATOM 219 C LEU A 18 46.478 120.891 62.240 1.00 0.00 C ATOM 220 O LEU A 18 46.557 121.872 62.951 1.00 0.00 O ATOM 221 CB LEU A 18 45.994 119.504 64.294 1.00 0.00 C ATOM 222 CG LEU A 18 45.043 118.345 64.597 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.848 118.227 66.110 1.00 0.00 C ATOM 224 CD2 LEU A 18 43.692 118.608 63.929 1.00 0.00 C ATOM 0 H LEU A 18 48.446 119.240 63.326 1.00 0.00 H new ATOM 0 HA LEU A 18 45.638 118.944 62.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.885 119.429 64.917 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.515 120.453 64.535 1.00 0.00 H new ATOM 0 HG LEU A 18 45.466 117.417 64.212 1.00 0.00 H new ATOM 0 HD11 LEU A 18 44.170 117.401 66.326 1.00 0.00 H new ATOM 0 HD12 LEU A 18 45.810 118.041 66.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.424 119.154 66.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.013 117.783 64.144 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.270 119.536 64.315 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.830 118.693 62.851 1.00 0.00 H new ATOM 236 N ALA A 19 46.442 120.980 60.937 1.00 0.00 N ATOM 237 CA ALA A 19 46.499 122.304 60.238 1.00 0.00 C ATOM 238 C ALA A 19 45.235 123.126 60.508 1.00 0.00 C ATOM 239 O ALA A 19 45.290 124.338 60.610 1.00 0.00 O ATOM 240 CB ALA A 19 46.559 121.949 58.749 1.00 0.00 C ATOM 0 H ALA A 19 46.374 120.176 60.313 1.00 0.00 H new ATOM 0 HA ALA A 19 47.347 122.899 60.577 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.603 122.864 58.158 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.447 121.348 58.554 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.669 121.382 58.474 1.00 0.00 H new ATOM 246 N HIS A 20 44.098 122.487 60.608 1.00 0.00 N ATOM 247 CA HIS A 20 42.832 123.247 60.852 1.00 0.00 C ATOM 248 C HIS A 20 42.821 123.849 62.262 1.00 0.00 C ATOM 249 O HIS A 20 42.124 124.812 62.522 1.00 0.00 O ATOM 250 CB HIS A 20 41.703 122.229 60.685 1.00 0.00 C ATOM 251 CG HIS A 20 40.382 122.947 60.639 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.080 123.874 59.653 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.275 122.886 61.448 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.836 124.329 59.892 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.300 123.759 60.974 1.00 0.00 N ATOM 0 H HIS A 20 43.990 121.476 60.532 1.00 0.00 H new ATOM 0 HA HIS A 20 42.725 124.082 60.160 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.849 121.655 59.770 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.714 121.519 61.512 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.176 122.256 62.320 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.333 125.065 59.283 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.375 123.927 61.369 1.00 0.00 H new ATOM 263 N GLN A 21 43.579 123.291 63.172 1.00 51.13 N ATOM 264 CA GLN A 21 43.603 123.835 64.564 1.00 51.59 C ATOM 265 C GLN A 21 45.026 124.240 64.961 1.00 51.55 C ATOM 266 O GLN A 21 45.492 123.911 66.036 1.00 51.24 O ATOM 267 CB GLN A 21 43.109 122.686 65.443 1.00 52.27 C ATOM 268 CG GLN A 21 42.805 123.209 66.849 1.00 52.27 C ATOM 269 CD GLN A 21 42.081 122.128 67.654 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.458 121.249 67.092 1.00 52.37 O ATOM 271 NE2 GLN A 21 42.138 122.156 68.958 1.00 51.79 N ATOM 0 H GLN A 21 44.181 122.484 63.012 1.00 51.13 H new ATOM 0 HA GLN A 21 42.985 124.727 64.666 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.214 122.241 65.008 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.864 121.901 65.491 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.731 123.491 67.351 1.00 52.27 H new ATOM 0 HG3 GLN A 21 42.188 124.106 66.789 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.661 122.894 69.430 1.00 51.79 H new ATOM 0 HE22 GLN A 21 41.660 121.440 69.505 1.00 51.79 H new ATOM 280 N SER A 22 45.723 124.952 64.106 1.00 52.26 N ATOM 281 CA SER A 22 47.117 125.374 64.447 1.00 52.76 C ATOM 282 C SER A 22 47.627 126.437 63.468 1.00 51.68 C ATOM 283 O SER A 22 47.277 126.440 62.303 1.00 52.15 O ATOM 284 CB SER A 22 47.953 124.103 64.329 1.00 53.63 C ATOM 285 OG SER A 22 48.141 123.790 62.955 1.00 55.19 O ATOM 0 H SER A 22 45.388 125.257 63.192 1.00 52.26 H new ATOM 0 HA SER A 22 47.171 125.818 65.441 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.918 124.242 64.817 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.454 123.278 64.837 1.00 53.63 H new ATOM 0 HG SER A 22 47.827 122.878 62.781 1.00 55.19 H new ATOM 291 N THR A 23 48.473 127.320 63.934 1.00 0.00 N ATOM 292 CA THR A 23 49.043 128.374 63.036 1.00 0.00 C ATOM 293 C THR A 23 50.578 128.262 63.043 1.00 0.00 C ATOM 294 O THR A 23 51.241 128.806 63.903 1.00 0.00 O ATOM 295 CB THR A 23 48.559 129.725 63.596 1.00 0.00 C ATOM 296 OG1 THR A 23 49.056 130.773 62.776 1.00 0.00 O ATOM 297 CG2 THR A 23 49.045 129.938 65.035 1.00 0.00 C ATOM 0 H THR A 23 48.796 127.358 64.901 1.00 0.00 H new ATOM 0 HA THR A 23 48.719 128.267 62.001 1.00 0.00 H new ATOM 0 HB THR A 23 47.469 129.725 63.599 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.750 131.636 63.126 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.687 130.900 65.401 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.659 129.141 65.671 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.135 129.924 65.057 1.00 0.00 H new ATOM 305 N PRO A 24 51.092 127.520 62.086 1.00 49.88 N ATOM 306 CA PRO A 24 52.571 127.324 62.038 1.00 51.02 C ATOM 307 C PRO A 24 53.311 128.625 61.706 1.00 51.50 C ATOM 308 O PRO A 24 54.484 128.765 62.000 1.00 51.57 O ATOM 309 CB PRO A 24 52.771 126.304 60.920 1.00 51.23 C ATOM 310 CG PRO A 24 51.580 126.460 60.041 1.00 51.05 C ATOM 311 CD PRO A 24 50.441 126.877 60.928 1.00 49.44 C ATOM 0 HA PRO A 24 52.967 126.997 63.000 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.694 126.494 60.372 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.839 125.291 61.317 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.764 127.208 59.269 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.351 125.525 59.530 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.771 127.567 60.416 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.842 126.020 61.235 1.00 49.44 H new ATOM 319 N ASP A 25 52.650 129.566 61.080 1.00 0.00 N ATOM 320 CA ASP A 25 53.337 130.846 60.714 1.00 0.00 C ATOM 321 C ASP A 25 53.749 131.626 61.969 1.00 0.00 C ATOM 322 O ASP A 25 54.654 132.441 61.924 1.00 0.00 O ATOM 323 CB ASP A 25 52.326 131.638 59.882 1.00 0.00 C ATOM 324 CG ASP A 25 52.136 130.959 58.522 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.094 130.388 58.027 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.036 131.024 58.000 1.00 0.00 O ATOM 0 H ASP A 25 51.669 129.506 60.807 1.00 0.00 H new ATOM 0 HA ASP A 25 54.254 130.661 60.155 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.373 131.695 60.408 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.676 132.661 59.743 1.00 0.00 H new ATOM 331 N GLU A 26 53.101 131.391 63.081 1.00 0.00 N ATOM 332 CA GLU A 26 53.467 132.129 64.331 1.00 0.00 C ATOM 333 C GLU A 26 54.221 131.211 65.302 1.00 0.00 C ATOM 334 O GLU A 26 54.225 131.431 66.498 1.00 0.00 O ATOM 335 CB GLU A 26 52.133 132.567 64.937 1.00 0.00 C ATOM 336 CG GLU A 26 51.510 133.658 64.063 1.00 0.00 C ATOM 337 CD GLU A 26 52.373 134.919 64.127 1.00 0.00 C ATOM 338 OE1 GLU A 26 52.541 135.444 65.215 1.00 0.00 O ATOM 339 OE2 GLU A 26 52.851 135.340 63.085 1.00 0.00 O ATOM 0 H GLU A 26 52.337 130.723 63.179 1.00 0.00 H new ATOM 0 HA GLU A 26 54.124 132.975 64.127 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.457 131.715 65.010 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.286 132.940 65.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.430 133.312 63.033 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.499 133.879 64.405 1.00 0.00 H new ATOM 346 N GLY A 27 54.856 130.183 64.793 1.00 0.00 N ATOM 347 CA GLY A 27 55.609 129.245 65.680 1.00 0.00 C ATOM 348 C GLY A 27 54.626 128.469 66.560 1.00 0.00 C ATOM 349 O GLY A 27 54.950 128.066 67.662 1.00 0.00 O ATOM 0 H GLY A 27 54.885 129.954 63.800 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.198 128.553 65.078 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.309 129.801 66.303 1.00 0.00 H new ATOM 353 N ARG A 28 53.429 128.260 66.078 1.00 0.00 N ATOM 354 CA ARG A 28 52.412 127.510 66.873 1.00 0.00 C ATOM 355 C ARG A 28 51.952 126.269 66.105 1.00 0.00 C ATOM 356 O ARG A 28 51.035 126.330 65.305 1.00 0.00 O ATOM 357 CB ARG A 28 51.255 128.490 67.060 1.00 0.00 C ATOM 358 CG ARG A 28 51.621 129.514 68.138 1.00 0.00 C ATOM 359 CD ARG A 28 50.460 130.495 68.324 1.00 0.00 C ATOM 360 NE ARG A 28 49.371 129.695 68.954 1.00 0.00 N ATOM 361 CZ ARG A 28 48.365 130.301 69.524 1.00 0.00 C ATOM 362 NH1 ARG A 28 47.489 130.938 68.796 1.00 0.00 N ATOM 363 NH2 ARG A 28 48.235 130.269 70.822 1.00 0.00 N ATOM 0 H ARG A 28 53.110 128.578 65.163 1.00 0.00 H new ATOM 0 HA ARG A 28 52.806 127.162 67.828 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.039 128.998 66.120 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.351 127.952 67.347 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.837 129.007 69.078 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.524 130.053 67.852 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.750 131.333 68.958 1.00 0.00 H new ATOM 0 HD3 ARG A 28 50.140 130.913 67.369 1.00 0.00 H new ATOM 0 HE ARG A 28 49.412 128.676 68.940 1.00 0.00 H new ATOM 0 HH11 ARG A 28 47.590 130.962 67.781 1.00 0.00 H new ATOM 0 HH12 ARG A 28 46.703 131.411 69.242 1.00 0.00 H new ATOM 0 HH21 ARG A 28 48.919 129.771 71.391 1.00 0.00 H new ATOM 0 HH22 ARG A 28 47.449 130.742 71.268 1.00 0.00 H new ATOM 377 N TYR A 29 52.568 125.141 66.356 1.00 46.07 N ATOM 378 CA TYR A 29 52.160 123.885 65.658 1.00 43.41 C ATOM 379 C TYR A 29 51.358 123.011 66.626 1.00 41.37 C ATOM 380 O TYR A 29 51.736 122.838 67.771 1.00 39.95 O ATOM 381 CB TYR A 29 53.466 123.186 65.261 1.00 43.56 C ATOM 382 CG TYR A 29 54.313 124.103 64.407 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.143 125.053 65.015 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.274 124.000 63.012 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.933 125.900 64.228 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.064 124.847 62.224 1.00 42.98 C ATOM 387 CZ TYR A 29 55.894 125.797 62.833 1.00 43.35 C ATOM 388 OH TYR A 29 56.672 126.631 62.058 1.00 43.13 O ATOM 0 H TYR A 29 53.338 125.036 67.016 1.00 46.07 H new ATOM 0 HA TYR A 29 51.536 124.078 64.785 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.018 122.897 66.155 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.244 122.270 64.714 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.174 125.132 66.092 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.635 123.267 62.543 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.572 126.633 64.698 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.033 124.768 61.147 1.00 42.98 H new ATOM 0 HH TYR A 29 56.180 127.457 61.871 1.00 43.13 H new ATOM 398 N ALA A 30 50.249 122.477 66.184 1.00 0.00 N ATOM 399 CA ALA A 30 49.417 121.632 67.094 1.00 0.00 C ATOM 400 C ALA A 30 49.383 120.178 66.618 1.00 0.00 C ATOM 401 O ALA A 30 48.954 119.888 65.518 1.00 0.00 O ATOM 402 CB ALA A 30 48.020 122.250 67.043 1.00 0.00 C ATOM 0 H ALA A 30 49.884 122.588 65.238 1.00 0.00 H new ATOM 0 HA ALA A 30 49.820 121.611 68.106 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.348 121.684 67.688 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.067 123.284 67.386 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.648 122.224 66.019 1.00 0.00 H new ATOM 408 N PHE A 31 49.825 119.266 67.446 1.00 36.58 N ATOM 409 CA PHE A 31 49.810 117.823 67.057 1.00 36.29 C ATOM 410 C PHE A 31 48.869 117.046 67.983 1.00 35.25 C ATOM 411 O PHE A 31 48.921 117.194 69.190 1.00 34.09 O ATOM 412 CB PHE A 31 51.247 117.332 67.245 1.00 36.39 C ATOM 413 CG PHE A 31 52.151 117.981 66.225 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.716 119.233 66.487 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.430 117.325 65.019 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.560 119.832 65.544 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.272 117.924 64.076 1.00 37.25 C ATOM 418 CZ PHE A 31 53.837 119.178 64.338 1.00 36.45 C ATOM 0 H PHE A 31 50.196 119.459 68.376 1.00 36.58 H new ATOM 0 HA PHE A 31 49.463 117.681 66.034 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.592 117.568 68.252 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.286 116.248 67.141 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.501 119.738 67.417 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.995 116.357 64.817 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.997 120.798 65.747 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.486 117.419 63.146 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.486 119.641 63.610 1.00 36.45 H new ATOM 428 N ALA A 32 48.028 116.203 67.437 1.00 34.06 N ATOM 429 CA ALA A 32 47.104 115.395 68.290 1.00 32.35 C ATOM 430 C ALA A 32 47.515 113.926 68.192 1.00 31.25 C ATOM 431 O ALA A 32 47.745 113.424 67.108 1.00 31.96 O ATOM 432 CB ALA A 32 45.715 115.609 67.689 1.00 32.65 C ATOM 0 H ALA A 32 47.942 116.039 66.434 1.00 34.06 H new ATOM 0 HA ALA A 32 47.126 115.682 69.341 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.979 115.045 68.263 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.465 116.669 67.720 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.709 115.265 66.655 1.00 32.65 H new ATOM 438 N TYR A 33 47.637 113.235 69.302 1.00 29.03 N ATOM 439 CA TYR A 33 48.067 111.803 69.224 1.00 27.15 C ATOM 440 C TYR A 33 47.104 110.879 69.982 1.00 26.72 C ATOM 441 O TYR A 33 46.571 111.232 71.017 1.00 28.24 O ATOM 442 CB TYR A 33 49.483 111.773 69.829 1.00 26.09 C ATOM 443 CG TYR A 33 49.447 112.002 71.327 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.414 113.302 71.844 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.456 110.903 72.195 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.390 113.500 73.229 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.433 111.105 73.578 1.00 25.85 C ATOM 448 CZ TYR A 33 49.400 112.402 74.096 1.00 27.60 C ATOM 449 OH TYR A 33 49.377 112.601 75.461 1.00 28.81 O ATOM 0 H TYR A 33 47.461 113.593 70.241 1.00 29.03 H new ATOM 0 HA TYR A 33 48.062 111.437 68.197 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.951 110.812 69.617 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.099 112.538 69.357 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.407 114.150 71.176 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.481 109.900 71.796 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.364 114.503 73.630 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.441 110.257 74.247 1.00 25.85 H new ATOM 0 HH TYR A 33 48.503 112.958 75.725 1.00 28.81 H new ATOM 459 N SER A 34 46.895 109.693 69.468 1.00 0.00 N ATOM 460 CA SER A 34 45.985 108.723 70.145 1.00 0.00 C ATOM 461 C SER A 34 46.820 107.641 70.835 1.00 0.00 C ATOM 462 O SER A 34 47.820 107.194 70.312 1.00 0.00 O ATOM 463 CB SER A 34 45.136 108.121 69.027 1.00 0.00 C ATOM 464 OG SER A 34 44.306 107.100 69.566 1.00 0.00 O ATOM 0 H SER A 34 47.318 109.355 68.604 1.00 0.00 H new ATOM 0 HA SER A 34 45.363 109.191 70.908 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.525 108.895 68.562 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.778 107.710 68.248 1.00 0.00 H new ATOM 0 HG SER A 34 43.758 106.712 68.852 1.00 0.00 H new ATOM 470 N ILE A 35 46.427 107.236 72.014 1.00 0.00 N ATOM 471 CA ILE A 35 47.202 106.200 72.763 1.00 0.00 C ATOM 472 C ILE A 35 46.492 104.840 72.750 1.00 0.00 C ATOM 473 O ILE A 35 45.309 104.734 73.002 1.00 0.00 O ATOM 474 CB ILE A 35 47.263 106.762 74.194 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.061 108.077 74.187 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.937 105.756 75.140 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.496 107.832 73.697 1.00 0.00 C ATOM 0 H ILE A 35 45.596 107.581 72.495 1.00 0.00 H new ATOM 0 HA ILE A 35 48.184 106.021 72.324 1.00 0.00 H new ATOM 0 HB ILE A 35 46.248 106.945 74.547 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.569 108.804 73.541 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.081 108.503 75.190 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.971 106.171 76.147 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.367 104.827 75.149 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.952 105.556 74.795 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.047 108.773 73.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.990 107.121 74.359 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.471 107.428 72.685 1.00 0.00 H new ATOM 489 N ARG A 36 47.234 103.804 72.451 1.00 25.30 N ATOM 490 CA ARG A 36 46.650 102.431 72.409 1.00 25.64 C ATOM 491 C ARG A 36 47.430 101.506 73.350 1.00 23.79 C ATOM 492 O ARG A 36 48.465 100.973 73.002 1.00 25.11 O ATOM 493 CB ARG A 36 46.807 101.978 70.958 1.00 28.66 C ATOM 494 CG ARG A 36 45.886 102.808 70.061 1.00 34.24 C ATOM 495 CD ARG A 36 46.042 102.355 68.608 1.00 37.45 C ATOM 496 NE ARG A 36 45.516 100.963 68.581 1.00 40.12 N ATOM 497 CZ ARG A 36 46.007 100.094 67.740 1.00 40.24 C ATOM 498 NH1 ARG A 36 47.098 99.443 68.038 1.00 39.81 N ATOM 499 NH2 ARG A 36 45.409 99.879 66.600 1.00 39.07 N ATOM 0 H ARG A 36 48.229 103.852 72.232 1.00 25.30 H new ATOM 0 HA ARG A 36 45.608 102.410 72.728 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.843 102.094 70.640 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.563 100.920 70.868 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.850 102.692 70.380 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.131 103.866 70.151 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.484 103.001 67.931 1.00 37.45 H new ATOM 0 HD3 ARG A 36 47.085 102.389 68.294 1.00 37.45 H new ATOM 0 HE ARG A 36 44.771 100.688 69.221 1.00 40.12 H new ATOM 0 HH11 ARG A 36 47.567 99.613 68.928 1.00 39.81 H new ATOM 0 HH12 ARG A 36 47.482 98.764 67.381 1.00 39.81 H new ATOM 0 HH21 ARG A 36 44.558 100.390 66.366 1.00 39.07 H new ATOM 0 HH22 ARG A 36 45.793 99.200 65.943 1.00 39.07 H new ATOM 513 N ILE A 37 46.929 101.320 74.542 1.00 20.73 N ATOM 514 CA ILE A 37 47.615 100.438 75.539 1.00 18.17 C ATOM 515 C ILE A 37 47.068 99.007 75.454 1.00 17.71 C ATOM 516 O ILE A 37 45.908 98.764 75.717 1.00 15.34 O ATOM 517 CB ILE A 37 47.286 101.053 76.905 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.767 102.510 76.951 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.999 100.263 78.005 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.198 103.198 78.192 1.00 16.07 C ATOM 0 H ILE A 37 46.063 101.746 74.874 1.00 20.73 H new ATOM 0 HA ILE A 37 48.689 100.378 75.362 1.00 18.17 H new ATOM 0 HB ILE A 37 46.208 101.018 77.059 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.856 102.544 76.971 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.448 103.037 76.052 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.766 100.700 78.976 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.664 99.226 77.983 1.00 14.36 H new ATOM 0 HG23 ILE A 37 49.076 100.300 77.840 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.540 104.232 78.224 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.109 103.177 78.152 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.539 102.676 79.086 1.00 16.07 H new ATOM 532 N GLN A 38 47.901 98.061 75.101 1.00 0.00 N ATOM 533 CA GLN A 38 47.443 96.639 75.010 1.00 0.00 C ATOM 534 C GLN A 38 48.250 95.767 75.980 1.00 0.00 C ATOM 535 O GLN A 38 49.426 95.995 76.199 1.00 0.00 O ATOM 536 CB GLN A 38 47.699 96.224 73.561 1.00 0.00 C ATOM 537 CG GLN A 38 47.210 94.790 73.344 1.00 0.00 C ATOM 538 CD GLN A 38 47.398 94.399 71.876 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.491 95.250 71.013 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.460 93.136 71.554 1.00 0.00 N ATOM 0 H GLN A 38 48.883 98.212 74.871 1.00 0.00 H new ATOM 0 HA GLN A 38 46.393 96.523 75.277 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.183 96.902 72.881 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.763 96.294 73.334 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.763 94.105 73.987 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.159 94.708 73.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.382 92.421 72.277 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.586 92.864 70.579 1.00 0.00 H new ATOM 549 N ASN A 39 47.623 94.774 76.566 1.00 15.86 N ATOM 550 CA ASN A 39 48.357 93.893 77.527 1.00 17.88 C ATOM 551 C ASN A 39 49.061 92.771 76.756 1.00 18.37 C ATOM 552 O ASN A 39 48.426 91.916 76.165 1.00 18.69 O ATOM 553 CB ASN A 39 47.302 93.338 78.483 1.00 19.10 C ATOM 554 CG ASN A 39 47.994 92.686 79.684 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.680 91.587 79.519 1.00 20.99 O flip ATOM 556 ND2 ASN A 39 47.911 93.184 80.789 1.00 19.13 N flip ATOM 0 H ASN A 39 46.641 94.537 76.421 1.00 15.86 H new ATOM 0 HA ASN A 39 49.126 94.432 78.081 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.644 94.139 78.820 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.678 92.607 77.968 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.376 94.042 80.923 1.00 19.13 H new ATOM 0 HD22 ASN A 39 48.376 92.744 81.583 1.00 19.13 H new ATOM 563 N ALA A 40 50.368 92.777 76.762 1.00 0.00 N ATOM 564 CA ALA A 40 51.150 91.732 76.035 1.00 0.00 C ATOM 565 C ALA A 40 51.431 90.513 76.923 1.00 0.00 C ATOM 566 O ALA A 40 51.774 89.452 76.435 1.00 0.00 O ATOM 567 CB ALA A 40 52.468 92.426 75.690 1.00 0.00 C ATOM 0 H ALA A 40 50.936 93.472 77.247 1.00 0.00 H new ATOM 0 HA ALA A 40 50.609 91.360 75.165 1.00 0.00 H new ATOM 0 HB1 ALA A 40 53.114 91.733 75.151 1.00 0.00 H new ATOM 0 HB2 ALA A 40 52.268 93.297 75.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.963 92.744 76.608 1.00 0.00 H new ATOM 573 N GLY A 41 51.323 90.663 78.220 1.00 27.60 N ATOM 574 CA GLY A 41 51.621 89.523 79.138 1.00 28.62 C ATOM 575 C GLY A 41 50.398 88.619 79.302 1.00 29.10 C ATOM 576 O GLY A 41 49.461 88.665 78.529 1.00 28.18 O ATOM 0 H GLY A 41 51.041 91.527 78.682 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.456 88.943 78.745 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.928 89.906 80.111 1.00 28.62 H new ATOM 580 N ALA A 42 50.422 87.789 80.312 1.00 0.00 N ATOM 581 CA ALA A 42 49.285 86.854 80.559 1.00 0.00 C ATOM 582 C ALA A 42 48.565 87.198 81.867 1.00 0.00 C ATOM 583 O ALA A 42 47.447 86.769 82.092 1.00 0.00 O ATOM 584 CB ALA A 42 49.926 85.470 80.649 1.00 0.00 C ATOM 0 H ALA A 42 51.188 87.719 80.982 1.00 0.00 H new ATOM 0 HA ALA A 42 48.534 86.912 79.771 1.00 0.00 H new ATOM 0 HB1 ALA A 42 49.154 84.722 80.830 1.00 0.00 H new ATOM 0 HB2 ALA A 42 50.437 85.244 79.713 1.00 0.00 H new ATOM 0 HB3 ALA A 42 50.645 85.455 81.468 1.00 0.00 H new ATOM 590 N VAL A 43 49.185 87.965 82.727 1.00 0.00 N ATOM 591 CA VAL A 43 48.523 88.333 84.016 1.00 0.00 C ATOM 592 C VAL A 43 48.004 89.776 83.934 1.00 0.00 C ATOM 593 O VAL A 43 48.688 90.652 83.443 1.00 0.00 O ATOM 594 CB VAL A 43 49.612 88.178 85.084 1.00 0.00 C ATOM 595 CG1 VAL A 43 49.065 88.572 86.456 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.076 86.720 85.126 1.00 0.00 C ATOM 0 H VAL A 43 50.119 88.352 82.593 1.00 0.00 H new ATOM 0 HA VAL A 43 47.661 87.707 84.247 1.00 0.00 H new ATOM 0 HB VAL A 43 50.450 88.828 84.834 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.847 88.458 87.206 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.735 89.610 86.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.222 87.929 86.710 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.850 86.606 85.885 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.231 86.076 85.371 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.477 86.438 84.153 1.00 0.00 H new ATOM 606 N PRO A 44 46.784 89.973 84.404 1.00 21.08 N ATOM 607 CA PRO A 44 46.187 91.349 84.341 1.00 21.01 C ATOM 608 C PRO A 44 47.144 92.422 84.878 1.00 21.95 C ATOM 609 O PRO A 44 47.843 92.222 85.858 1.00 21.40 O ATOM 610 CB PRO A 44 44.936 91.251 85.212 1.00 20.53 C ATOM 611 CG PRO A 44 45.216 90.120 86.136 1.00 18.90 C ATOM 612 CD PRO A 44 46.005 89.129 85.333 1.00 19.89 C ATOM 0 HA PRO A 44 45.971 91.649 83.316 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.759 92.177 85.759 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.047 91.062 84.610 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.779 90.456 87.007 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.291 89.677 86.505 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.655 88.526 85.967 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.354 88.439 84.797 1.00 19.89 H new ATOM 620 N ALA A 45 47.170 93.558 84.228 1.00 20.91 N ATOM 621 CA ALA A 45 48.068 94.662 84.667 1.00 19.47 C ATOM 622 C ALA A 45 47.321 95.999 84.684 1.00 19.21 C ATOM 623 O ALA A 45 46.401 96.229 83.917 1.00 19.53 O ATOM 624 CB ALA A 45 49.181 94.694 83.620 1.00 18.37 C ATOM 0 H ALA A 45 46.602 93.767 83.407 1.00 20.91 H new ATOM 0 HA ALA A 45 48.446 94.503 85.677 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.891 95.483 83.868 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.696 93.734 83.607 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.751 94.888 82.637 1.00 18.37 H new ATOM 630 N ARG A 46 47.716 96.874 85.566 1.00 0.00 N ATOM 631 CA ARG A 46 47.053 98.206 85.677 1.00 0.00 C ATOM 632 C ARG A 46 48.105 99.312 85.570 1.00 0.00 C ATOM 633 O ARG A 46 49.254 99.119 85.918 1.00 0.00 O ATOM 634 CB ARG A 46 46.406 98.187 87.064 1.00 0.00 C ATOM 635 CG ARG A 46 45.719 99.524 87.356 1.00 0.00 C ATOM 636 CD ARG A 46 45.391 99.597 88.849 1.00 0.00 C ATOM 637 NE ARG A 46 44.454 100.744 88.989 1.00 0.00 N ATOM 638 CZ ARG A 46 44.415 101.418 90.107 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.318 102.327 90.352 1.00 0.00 N ATOM 640 NH2 ARG A 46 43.472 101.183 90.979 1.00 0.00 N ATOM 0 H ARG A 46 48.480 96.722 86.224 1.00 0.00 H new ATOM 0 HA ARG A 46 46.321 98.394 84.891 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.678 97.378 87.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.164 97.988 87.822 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.369 100.352 87.072 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.808 99.617 86.765 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.934 98.671 89.197 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.292 99.750 89.443 1.00 0.00 H new ATOM 0 HE ARG A 46 43.844 101.003 88.214 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.054 102.511 89.670 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.288 102.854 91.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 42.765 100.473 90.787 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.442 101.710 91.852 1.00 0.00 H new ATOM 654 N LEU A 47 47.723 100.466 85.083 1.00 0.00 N ATOM 655 CA LEU A 47 48.705 101.584 84.944 1.00 0.00 C ATOM 656 C LEU A 47 48.570 102.547 86.123 1.00 0.00 C ATOM 657 O LEU A 47 47.537 103.160 86.317 1.00 0.00 O ATOM 658 CB LEU A 47 48.333 102.280 83.634 1.00 0.00 C ATOM 659 CG LEU A 47 49.460 103.229 83.220 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.339 103.546 81.729 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.357 104.527 84.024 1.00 0.00 C ATOM 0 H LEU A 47 46.775 100.682 84.776 1.00 0.00 H new ATOM 0 HA LEU A 47 49.737 101.232 84.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.162 101.539 82.853 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.403 102.835 83.756 1.00 0.00 H new ATOM 0 HG LEU A 47 50.422 102.755 83.415 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.142 104.222 81.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.412 102.623 81.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.377 104.019 81.535 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.160 105.203 83.729 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.395 105.000 83.829 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.443 104.304 85.087 1.00 0.00 H new ATOM 673 N VAL A 48 49.605 102.679 86.914 1.00 0.00 N ATOM 674 CA VAL A 48 49.537 103.597 88.088 1.00 0.00 C ATOM 675 C VAL A 48 50.246 104.923 87.780 1.00 0.00 C ATOM 676 O VAL A 48 49.882 105.955 88.316 1.00 0.00 O ATOM 677 CB VAL A 48 50.237 102.852 89.229 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.224 103.713 90.497 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.502 101.537 89.509 1.00 0.00 C ATOM 0 H VAL A 48 50.493 102.191 86.796 1.00 0.00 H new ATOM 0 HA VAL A 48 48.509 103.850 88.347 1.00 0.00 H new ATOM 0 HB VAL A 48 51.267 102.645 88.940 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.723 103.178 91.305 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.746 104.651 90.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.194 103.923 90.783 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.000 101.007 90.321 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.471 101.750 89.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.511 100.917 88.612 1.00 0.00 H new ATOM 689 N ALA A 49 51.261 104.911 86.944 1.00 0.00 N ATOM 690 CA ALA A 49 51.976 106.193 86.649 1.00 0.00 C ATOM 691 C ALA A 49 52.386 106.306 85.175 1.00 0.00 C ATOM 692 O ALA A 49 52.435 105.335 84.446 1.00 0.00 O ATOM 693 CB ALA A 49 53.215 106.164 87.545 1.00 0.00 C ATOM 0 H ALA A 49 51.618 104.086 86.463 1.00 0.00 H new ATOM 0 HA ALA A 49 51.333 107.052 86.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.798 107.072 87.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.908 106.104 88.589 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.824 105.295 87.296 1.00 0.00 H new ATOM 699 N ARG A 50 52.687 107.505 84.752 1.00 18.13 N ATOM 700 CA ARG A 50 53.109 107.752 83.340 1.00 20.89 C ATOM 701 C ARG A 50 54.194 108.838 83.293 1.00 22.46 C ATOM 702 O ARG A 50 54.151 109.811 84.022 1.00 23.35 O ATOM 703 CB ARG A 50 51.835 108.216 82.617 1.00 21.09 C ATOM 704 CG ARG A 50 51.324 109.526 83.225 1.00 22.20 C ATOM 705 CD ARG A 50 49.924 109.826 82.685 1.00 26.75 C ATOM 706 NE ARG A 50 49.429 110.962 83.511 1.00 26.68 N ATOM 707 CZ ARG A 50 48.515 111.764 83.038 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.722 112.401 81.918 1.00 27.75 N ATOM 709 NH2 ARG A 50 47.393 111.929 83.684 1.00 29.05 N ATOM 0 H ARG A 50 52.658 108.340 85.337 1.00 18.13 H new ATOM 0 HA ARG A 50 53.535 106.864 82.873 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.042 108.356 81.556 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.066 107.448 82.693 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.298 109.449 84.312 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.003 110.343 82.980 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.957 110.091 81.628 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.271 108.958 82.776 1.00 26.75 H new ATOM 0 HE ARG A 50 49.805 111.113 84.447 1.00 26.68 H new ATOM 0 HH11 ARG A 50 49.598 112.272 81.412 1.00 27.75 H new ATOM 0 HH12 ARG A 50 48.007 113.028 81.548 1.00 27.75 H new ATOM 0 HH21 ARG A 50 47.230 111.431 84.559 1.00 29.05 H new ATOM 0 HH22 ARG A 50 46.679 112.556 83.314 1.00 29.05 H new ATOM 723 N HIS A 51 55.168 108.661 82.435 1.00 22.89 N ATOM 724 CA HIS A 51 56.275 109.658 82.318 1.00 23.99 C ATOM 725 C HIS A 51 56.748 109.748 80.861 1.00 24.58 C ATOM 726 O HIS A 51 57.280 108.804 80.309 1.00 24.14 O ATOM 727 CB HIS A 51 57.382 109.125 83.233 1.00 22.92 C ATOM 728 CG HIS A 51 58.583 110.033 83.179 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.839 109.624 83.598 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.735 111.330 82.752 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.684 110.655 83.417 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.063 111.720 82.904 1.00 25.48 N ATOM 0 H HIS A 51 55.243 107.862 81.806 1.00 22.89 H new ATOM 0 HA HIS A 51 55.970 110.664 82.606 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.015 109.055 84.257 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.664 108.118 82.926 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.079 108.707 83.975 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.945 111.952 82.358 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.736 110.625 83.657 1.00 26.28 H new ATOM 740 N TRP A 52 56.552 110.884 80.240 1.00 24.73 N ATOM 741 CA TRP A 52 56.977 111.065 78.818 1.00 24.73 C ATOM 742 C TRP A 52 58.306 111.824 78.723 1.00 25.24 C ATOM 743 O TRP A 52 58.521 112.815 79.396 1.00 25.25 O ATOM 744 CB TRP A 52 55.861 111.897 78.185 1.00 22.37 C ATOM 745 CG TRP A 52 54.732 111.003 77.787 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.524 110.951 78.396 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.686 110.031 76.703 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.740 110.009 77.751 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.413 109.416 76.702 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.619 109.629 75.730 1.00 19.22 C ATOM 751 CZ2 TRP A 52 53.076 108.436 75.765 1.00 19.14 C ATOM 752 CZ3 TRP A 52 55.283 108.644 74.788 1.00 19.43 C ATOM 753 CH2 TRP A 52 54.014 108.049 74.806 1.00 18.33 C ATOM 0 H TRP A 52 56.111 111.702 80.662 1.00 24.73 H new ATOM 0 HA TRP A 52 57.131 110.107 78.322 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.510 112.650 78.891 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.241 112.430 77.313 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.222 111.546 79.245 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.782 109.781 78.018 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.600 110.081 75.708 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 52.097 107.981 75.782 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 56.007 108.343 74.045 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.762 107.292 74.078 1.00 18.33 H new ATOM 764 N GLN A 53 59.193 111.359 77.880 1.00 0.00 N ATOM 765 CA GLN A 53 60.517 112.034 77.711 1.00 0.00 C ATOM 766 C GLN A 53 60.644 112.555 76.274 1.00 0.00 C ATOM 767 O GLN A 53 61.274 111.937 75.435 1.00 0.00 O ATOM 768 CB GLN A 53 61.549 110.935 77.972 1.00 0.00 C ATOM 769 CG GLN A 53 62.952 111.546 77.992 1.00 0.00 C ATOM 770 CD GLN A 53 63.958 110.507 78.494 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.593 109.558 79.158 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.223 110.649 78.202 1.00 0.00 N ATOM 0 H GLN A 53 59.056 110.534 77.297 1.00 0.00 H new ATOM 0 HA GLN A 53 60.648 112.884 78.380 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.341 110.445 78.923 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.485 110.170 77.198 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.228 111.881 76.992 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.968 112.424 78.638 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.531 111.445 77.644 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.903 109.963 78.532 1.00 0.00 H new ATOM 781 N ILE A 54 60.031 113.674 75.979 1.00 28.56 N ATOM 782 CA ILE A 54 60.089 114.229 74.589 1.00 31.69 C ATOM 783 C ILE A 54 61.371 115.044 74.341 1.00 31.35 C ATOM 784 O ILE A 54 61.727 115.925 75.099 1.00 31.20 O ATOM 785 CB ILE A 54 58.817 115.099 74.432 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.901 116.372 75.288 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.574 114.299 74.842 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.719 117.285 74.959 1.00 36.11 C ATOM 0 H ILE A 54 59.491 114.230 76.642 1.00 28.56 H new ATOM 0 HA ILE A 54 60.119 113.429 73.850 1.00 31.69 H new ATOM 0 HB ILE A 54 58.743 115.387 73.383 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.891 116.113 76.347 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.840 116.891 75.096 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.687 114.921 74.727 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.483 113.417 74.208 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.668 113.989 75.883 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.777 118.189 75.566 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.750 117.554 73.903 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.786 116.764 75.173 1.00 36.11 H new ATOM 800 N THR A 55 62.051 114.754 73.259 1.00 32.39 N ATOM 801 CA THR A 55 63.290 115.513 72.907 1.00 32.79 C ATOM 802 C THR A 55 63.071 116.182 71.551 1.00 33.98 C ATOM 803 O THR A 55 62.633 115.559 70.602 1.00 33.62 O ATOM 804 CB THR A 55 64.423 114.484 72.843 1.00 32.44 C ATOM 805 OG1 THR A 55 64.514 113.805 74.087 1.00 30.14 O ATOM 806 CG2 THR A 55 65.752 115.185 72.541 1.00 31.51 C ATOM 0 H THR A 55 61.798 114.018 72.600 1.00 32.39 H new ATOM 0 HA THR A 55 63.533 116.289 73.633 1.00 32.79 H new ATOM 0 HB THR A 55 64.212 113.767 72.049 1.00 32.44 H new ATOM 0 HG1 THR A 55 65.237 113.145 74.047 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.552 114.446 72.497 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.682 115.701 71.583 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.969 115.908 73.327 1.00 31.51 H new ATOM 814 N ASP A 56 63.350 117.460 71.467 1.00 36.19 N ATOM 815 CA ASP A 56 63.134 118.192 70.187 1.00 38.66 C ATOM 816 C ASP A 56 64.396 118.178 69.316 1.00 38.50 C ATOM 817 O ASP A 56 65.460 117.772 69.741 1.00 37.75 O ATOM 818 CB ASP A 56 62.764 119.619 70.597 1.00 41.21 C ATOM 819 CG ASP A 56 62.173 120.362 69.398 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.942 120.926 68.638 1.00 45.04 O ATOM 821 OD2 ASP A 56 60.961 120.355 69.262 1.00 43.86 O ATOM 0 H ASP A 56 63.718 118.025 72.232 1.00 36.19 H new ATOM 0 HA ASP A 56 62.353 117.727 69.586 1.00 38.66 H new ATOM 0 HB2 ASP A 56 62.044 119.598 71.415 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.647 120.143 70.963 1.00 41.21 H new ATOM 826 N GLY A 57 64.263 118.613 68.090 1.00 37.51 N ATOM 827 CA GLY A 57 65.419 118.633 67.142 1.00 38.01 C ATOM 828 C GLY A 57 66.546 119.565 67.623 1.00 39.47 C ATOM 829 O GLY A 57 67.614 119.581 67.037 1.00 38.99 O ATOM 0 H GLY A 57 63.388 118.961 67.699 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.810 117.622 67.026 1.00 38.01 H new ATOM 0 HA3 GLY A 57 65.076 118.957 66.159 1.00 38.01 H new ATOM 833 N ASN A 58 66.350 120.322 68.683 1.00 0.00 N ATOM 834 CA ASN A 58 67.451 121.213 69.171 1.00 0.00 C ATOM 835 C ASN A 58 68.145 120.594 70.400 1.00 0.00 C ATOM 836 O ASN A 58 69.011 121.203 70.999 1.00 0.00 O ATOM 837 CB ASN A 58 66.778 122.538 69.529 1.00 0.00 C ATOM 838 CG ASN A 58 66.206 123.179 68.263 1.00 0.00 C ATOM 839 OD1 ASN A 58 65.020 123.424 68.175 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.006 123.463 67.272 1.00 0.00 N ATOM 0 H ASN A 58 65.486 120.360 69.223 1.00 0.00 H new ATOM 0 HA ASN A 58 68.226 121.352 68.417 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.983 122.369 70.255 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.499 123.210 69.996 1.00 0.00 H new ATOM 0 HD21 ASN A 58 66.635 123.891 66.424 1.00 0.00 H new ATOM 0 HD22 ASN A 58 68.002 123.257 67.346 1.00 0.00 H new ATOM 847 N GLY A 59 67.787 119.382 70.765 1.00 0.00 N ATOM 848 CA GLY A 59 68.442 118.721 71.935 1.00 0.00 C ATOM 849 C GLY A 59 67.643 118.968 73.219 1.00 0.00 C ATOM 850 O GLY A 59 67.672 118.163 74.130 1.00 0.00 O ATOM 0 H GLY A 59 67.069 118.825 70.301 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.524 117.649 71.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.456 119.103 72.053 1.00 0.00 H new ATOM 854 N ARG A 60 66.935 120.068 73.305 1.00 49.10 N ATOM 855 CA ARG A 60 66.144 120.350 74.546 1.00 50.05 C ATOM 856 C ARG A 60 65.085 119.263 74.743 1.00 49.79 C ATOM 857 O ARG A 60 64.489 118.790 73.791 1.00 48.27 O ATOM 858 CB ARG A 60 65.480 121.714 74.305 1.00 52.38 C ATOM 859 CG ARG A 60 66.155 122.790 75.170 1.00 55.08 C ATOM 860 CD ARG A 60 66.996 123.718 74.285 1.00 57.97 C ATOM 861 NE ARG A 60 66.030 124.329 73.326 1.00 60.72 N ATOM 862 CZ ARG A 60 66.466 125.069 72.344 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.363 125.990 72.571 1.00 61.80 N ATOM 864 NH2 ARG A 60 66.007 124.889 71.137 1.00 62.78 N ATOM 0 H ARG A 60 66.870 120.779 72.576 1.00 49.10 H new ATOM 0 HA ARG A 60 66.767 120.361 75.440 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.556 121.983 73.251 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.418 121.658 74.544 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.400 123.367 75.703 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.787 122.320 75.923 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.496 124.482 74.880 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.774 123.163 73.760 1.00 57.97 H new ATOM 0 HE ARG A 60 65.029 124.168 73.438 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.722 126.130 73.515 1.00 61.80 H new ATOM 0 HH12 ARG A 60 67.705 126.569 71.804 1.00 61.80 H new ATOM 0 HH21 ARG A 60 65.306 124.169 70.960 1.00 62.78 H new ATOM 0 HH22 ARG A 60 66.348 125.468 70.370 1.00 62.78 H new ATOM 878 N THR A 61 64.852 118.855 75.967 1.00 0.00 N ATOM 879 CA THR A 61 63.835 117.786 76.215 1.00 0.00 C ATOM 880 C THR A 61 62.898 118.192 77.356 1.00 0.00 C ATOM 881 O THR A 61 63.286 118.913 78.257 1.00 0.00 O ATOM 882 CB THR A 61 64.642 116.544 76.605 1.00 0.00 C ATOM 883 OG1 THR A 61 65.364 116.808 77.801 1.00 0.00 O ATOM 884 CG2 THR A 61 65.621 116.186 75.485 1.00 0.00 C ATOM 0 H THR A 61 65.319 119.213 76.800 1.00 0.00 H new ATOM 0 HA THR A 61 63.211 117.609 75.339 1.00 0.00 H new ATOM 0 HB THR A 61 63.961 115.708 76.764 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.880 116.014 78.054 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.192 115.302 75.769 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.067 115.981 74.569 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.303 117.020 75.318 1.00 0.00 H new ATOM 892 N GLU A 62 61.673 117.737 77.323 1.00 0.00 N ATOM 893 CA GLU A 62 60.708 118.096 78.404 1.00 0.00 C ATOM 894 C GLU A 62 60.172 116.823 79.069 1.00 0.00 C ATOM 895 O GLU A 62 59.606 115.960 78.422 1.00 0.00 O ATOM 896 CB GLU A 62 59.583 118.852 77.696 1.00 0.00 C ATOM 897 CG GLU A 62 58.541 119.308 78.723 1.00 0.00 C ATOM 898 CD GLU A 62 57.406 120.069 78.023 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.619 120.539 76.916 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.341 120.168 78.610 1.00 0.00 O ATOM 0 H GLU A 62 61.298 117.131 76.593 1.00 0.00 H new ATOM 0 HA GLU A 62 61.166 118.697 79.190 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.988 119.715 77.167 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.115 118.211 76.949 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.138 118.444 79.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 59.011 119.948 79.470 1.00 0.00 H new ATOM 907 N GLN A 63 60.355 116.706 80.358 1.00 0.00 N ATOM 908 CA GLN A 63 59.870 115.496 81.084 1.00 0.00 C ATOM 909 C GLN A 63 58.588 115.811 81.859 1.00 0.00 C ATOM 910 O GLN A 63 58.491 116.822 82.529 1.00 0.00 O ATOM 911 CB GLN A 63 60.999 115.157 82.057 1.00 0.00 C ATOM 912 CG GLN A 63 62.207 114.635 81.277 1.00 0.00 C ATOM 913 CD GLN A 63 63.337 114.296 82.250 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.526 114.975 83.240 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.102 113.267 82.010 1.00 0.00 N ATOM 0 H GLN A 63 60.822 117.400 80.942 1.00 0.00 H new ATOM 0 HA GLN A 63 59.636 114.675 80.406 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.277 116.042 82.630 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.663 114.407 82.773 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.929 113.750 80.705 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.543 115.385 80.561 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.944 112.697 81.179 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.858 113.033 82.653 1.00 0.00 H new ATOM 924 N VAL A 64 57.608 114.949 81.773 1.00 37.94 N ATOM 925 CA VAL A 64 56.327 115.188 82.504 1.00 37.05 C ATOM 926 C VAL A 64 55.964 113.957 83.337 1.00 36.89 C ATOM 927 O VAL A 64 55.964 112.841 82.856 1.00 36.32 O ATOM 928 CB VAL A 64 55.279 115.448 81.416 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.917 115.708 82.062 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.689 116.672 80.593 1.00 35.74 C ATOM 0 H VAL A 64 57.639 114.088 81.227 1.00 37.94 H new ATOM 0 HA VAL A 64 56.394 116.028 83.196 1.00 37.05 H new ATOM 0 HB VAL A 64 55.212 114.575 80.767 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.175 115.892 81.285 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.620 114.838 82.648 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.984 116.579 82.714 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.944 116.857 79.819 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.758 117.542 81.245 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.658 116.490 80.127 1.00 35.74 H new ATOM 940 N ASP A 65 55.661 114.167 84.591 1.00 0.00 N ATOM 941 CA ASP A 65 55.303 113.033 85.495 1.00 0.00 C ATOM 942 C ASP A 65 53.932 113.277 86.127 1.00 0.00 C ATOM 943 O ASP A 65 53.689 114.311 86.721 1.00 0.00 O ATOM 944 CB ASP A 65 56.392 113.030 86.569 1.00 0.00 C ATOM 945 CG ASP A 65 56.262 111.771 87.431 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.146 111.315 87.617 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.282 111.287 87.893 1.00 0.00 O ATOM 0 H ASP A 65 55.646 115.086 85.033 1.00 0.00 H new ATOM 0 HA ASP A 65 55.246 112.082 84.966 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.377 113.063 86.103 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.304 113.920 87.192 1.00 0.00 H new ATOM 952 N GLY A 66 53.036 112.329 86.007 1.00 31.82 N ATOM 953 CA GLY A 66 51.680 112.495 86.605 1.00 29.07 C ATOM 954 C GLY A 66 51.138 111.126 87.020 1.00 27.67 C ATOM 955 O GLY A 66 51.455 110.117 86.417 1.00 27.18 O ATOM 0 H GLY A 66 53.188 111.446 85.519 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.730 113.156 87.470 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.008 112.962 85.885 1.00 29.07 H new ATOM 959 N GLU A 67 50.326 111.083 88.045 1.00 0.00 N ATOM 960 CA GLU A 67 49.759 109.777 88.504 1.00 0.00 C ATOM 961 C GLU A 67 48.632 109.335 87.567 1.00 0.00 C ATOM 962 O GLU A 67 47.992 110.146 86.926 1.00 0.00 O ATOM 963 CB GLU A 67 49.213 110.048 89.908 1.00 0.00 C ATOM 964 CG GLU A 67 50.380 110.276 90.875 1.00 0.00 C ATOM 965 CD GLU A 67 49.846 110.549 92.288 1.00 0.00 C ATOM 966 OE1 GLU A 67 48.688 110.918 92.411 1.00 0.00 O ATOM 967 OE2 GLU A 67 50.609 110.383 93.226 1.00 0.00 O ATOM 0 H GLU A 67 50.030 111.896 88.585 1.00 0.00 H new ATOM 0 HA GLU A 67 50.505 108.982 88.506 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.562 110.922 89.894 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.608 109.206 90.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.030 109.401 90.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 50.984 111.118 90.537 1.00 0.00 H new ATOM 974 N GLY A 68 48.375 108.050 87.494 1.00 22.62 N ATOM 975 CA GLY A 68 47.278 107.532 86.615 1.00 22.36 C ATOM 976 C GLY A 68 47.381 108.107 85.196 1.00 20.38 C ATOM 977 O GLY A 68 48.357 108.732 84.831 1.00 21.93 O ATOM 0 H GLY A 68 48.883 107.332 88.010 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.326 106.444 86.573 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.311 107.792 87.046 1.00 22.36 H new ATOM 981 N VAL A 69 46.363 107.895 84.405 1.00 17.51 N ATOM 982 CA VAL A 69 46.349 108.413 83.002 1.00 15.40 C ATOM 983 C VAL A 69 45.026 109.135 82.733 1.00 17.02 C ATOM 984 O VAL A 69 43.962 108.623 82.996 1.00 17.35 O ATOM 985 CB VAL A 69 46.492 107.185 82.089 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.904 106.615 82.222 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.468 106.107 82.469 1.00 8.21 C ATOM 0 H VAL A 69 45.527 107.377 84.675 1.00 17.51 H new ATOM 0 HA VAL A 69 47.154 109.125 82.824 1.00 15.40 H new ATOM 0 HB VAL A 69 46.311 107.492 81.059 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.007 105.744 81.575 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.631 107.372 81.929 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.082 106.322 83.257 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.585 105.246 81.811 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.630 105.799 83.502 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.460 106.509 82.364 1.00 8.21 H new ATOM 997 N VAL A 70 45.116 110.339 82.222 1.00 17.68 N ATOM 998 CA VAL A 70 43.907 111.187 81.916 1.00 16.81 C ATOM 999 C VAL A 70 42.835 111.085 83.025 1.00 17.08 C ATOM 1000 O VAL A 70 41.649 111.157 82.769 1.00 16.77 O ATOM 1001 CB VAL A 70 43.373 110.734 80.540 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.505 110.748 79.505 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.775 109.328 80.624 1.00 20.55 C ATOM 0 H VAL A 70 46.004 110.788 81.995 1.00 17.68 H new ATOM 0 HA VAL A 70 44.179 112.242 81.883 1.00 16.81 H new ATOM 0 HB VAL A 70 42.591 111.429 80.234 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.118 110.427 78.538 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.906 111.758 79.418 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.297 110.069 79.822 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.405 109.031 79.643 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.542 108.626 80.951 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.951 109.325 81.338 1.00 20.55 H new ATOM 1013 N GLY A 71 43.267 110.962 84.256 1.00 17.30 N ATOM 1014 CA GLY A 71 42.315 110.905 85.412 1.00 16.44 C ATOM 1015 C GLY A 71 41.743 109.496 85.646 1.00 18.03 C ATOM 1016 O GLY A 71 40.749 109.350 86.334 1.00 18.29 O ATOM 0 H GLY A 71 44.252 110.898 84.513 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.827 111.239 86.315 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.494 111.600 85.235 1.00 16.44 H new ATOM 1020 N GLU A 72 42.345 108.465 85.105 1.00 0.00 N ATOM 1021 CA GLU A 72 41.795 107.087 85.343 1.00 0.00 C ATOM 1022 C GLU A 72 42.907 106.037 85.443 1.00 0.00 C ATOM 1023 O GLU A 72 43.958 106.158 84.847 1.00 0.00 O ATOM 1024 CB GLU A 72 40.870 106.784 84.162 1.00 0.00 C ATOM 1025 CG GLU A 72 41.655 106.842 82.854 1.00 0.00 C ATOM 1026 CD GLU A 72 40.781 106.322 81.712 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.515 105.130 81.692 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.391 107.122 80.880 1.00 0.00 O ATOM 0 H GLU A 72 43.178 108.511 84.519 1.00 0.00 H new ATOM 0 HA GLU A 72 41.260 107.050 86.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.423 105.797 84.284 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.052 107.504 84.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.967 107.866 82.650 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.562 106.242 82.935 1.00 0.00 H new ATOM 1035 N GLN A 73 42.656 105.003 86.201 1.00 13.09 N ATOM 1036 CA GLN A 73 43.650 103.905 86.377 1.00 15.45 C ATOM 1037 C GLN A 73 43.065 102.603 85.805 1.00 15.30 C ATOM 1038 O GLN A 73 42.621 101.746 86.544 1.00 16.40 O ATOM 1039 CB GLN A 73 43.828 103.791 87.891 1.00 18.12 C ATOM 1040 CG GLN A 73 44.565 105.028 88.413 1.00 18.21 C ATOM 1041 CD GLN A 73 44.527 105.037 89.942 1.00 16.98 C ATOM 1042 OE1 GLN A 73 43.521 104.705 90.538 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.588 105.406 90.606 1.00 14.04 N ATOM 0 H GLN A 73 41.785 104.871 86.716 1.00 13.09 H new ATOM 0 HA GLN A 73 44.596 104.093 85.868 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.856 103.702 88.376 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.390 102.890 88.135 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.598 105.023 88.064 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.101 105.933 88.022 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.432 105.684 90.105 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.574 105.416 91.626 1.00 14.04 H new ATOM 1052 N PRO A 74 43.058 102.517 84.493 1.00 15.25 N ATOM 1053 CA PRO A 74 42.475 101.303 83.851 1.00 16.63 C ATOM 1054 C PRO A 74 43.168 100.011 84.305 1.00 17.41 C ATOM 1055 O PRO A 74 44.374 99.955 84.473 1.00 17.61 O ATOM 1056 CB PRO A 74 42.701 101.527 82.358 1.00 16.18 C ATOM 1057 CG PRO A 74 43.867 102.451 82.284 1.00 16.38 C ATOM 1058 CD PRO A 74 43.803 103.321 83.505 1.00 13.89 C ATOM 0 HA PRO A 74 41.426 101.177 84.118 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.907 100.588 81.844 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.821 101.963 81.886 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.803 101.893 82.255 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.827 103.053 81.376 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.800 103.571 83.867 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.295 104.262 83.295 1.00 13.89 H new ATOM 1066 N TRP A 75 42.396 98.968 84.474 1.00 0.00 N ATOM 1067 CA TRP A 75 42.955 97.646 84.885 1.00 0.00 C ATOM 1068 C TRP A 75 42.988 96.735 83.655 1.00 0.00 C ATOM 1069 O TRP A 75 42.153 95.865 83.489 1.00 0.00 O ATOM 1070 CB TRP A 75 41.968 97.111 85.926 1.00 0.00 C ATOM 1071 CG TRP A 75 42.651 96.115 86.807 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.496 96.423 87.818 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.557 94.660 86.780 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.930 95.250 88.410 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.378 94.137 87.807 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.849 93.754 85.972 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.492 92.763 88.024 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.961 92.370 86.189 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.780 91.877 87.213 1.00 0.00 C ATOM 0 H TRP A 75 41.385 98.978 84.342 1.00 0.00 H new ATOM 0 HA TRP A 75 43.966 97.706 85.289 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.577 97.933 86.526 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.117 96.646 85.428 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.784 97.421 88.114 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.579 95.212 89.196 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.215 94.124 85.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.126 92.388 88.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.412 91.682 85.563 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.861 90.812 87.375 1.00 0.00 H new ATOM 1090 N LEU A 76 43.927 96.959 82.774 1.00 18.07 N ATOM 1091 CA LEU A 76 44.006 96.144 81.521 1.00 17.96 C ATOM 1092 C LEU A 76 44.215 94.657 81.807 1.00 19.47 C ATOM 1093 O LEU A 76 45.195 94.257 82.407 1.00 20.57 O ATOM 1094 CB LEU A 76 45.205 96.701 80.752 1.00 16.79 C ATOM 1095 CG LEU A 76 44.730 97.756 79.750 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.939 98.381 79.061 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.835 97.097 78.697 1.00 15.14 C ATOM 0 H LEU A 76 44.648 97.675 82.867 1.00 18.07 H new ATOM 0 HA LEU A 76 43.074 96.213 80.961 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.922 97.141 81.446 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.720 95.895 80.229 1.00 16.79 H new ATOM 0 HG LEU A 76 44.167 98.527 80.276 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.603 99.133 78.347 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.580 98.850 79.807 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.499 97.607 78.536 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.497 97.849 77.984 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.399 96.326 78.171 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.971 96.646 79.185 1.00 15.14 H new ATOM 1109 N ARG A 77 43.307 93.835 81.345 1.00 0.00 N ATOM 1110 CA ARG A 77 43.446 92.364 81.539 1.00 0.00 C ATOM 1111 C ARG A 77 44.273 91.792 80.381 1.00 0.00 C ATOM 1112 O ARG A 77 44.366 92.411 79.338 1.00 0.00 O ATOM 1113 CB ARG A 77 42.015 91.819 81.507 1.00 0.00 C ATOM 1114 CG ARG A 77 41.362 91.991 82.885 1.00 0.00 C ATOM 1115 CD ARG A 77 40.648 90.694 83.288 1.00 0.00 C ATOM 1116 NE ARG A 77 39.615 90.479 82.237 1.00 0.00 N ATOM 1117 CZ ARG A 77 39.299 89.267 81.872 1.00 0.00 C ATOM 1118 NH1 ARG A 77 40.100 88.589 81.096 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.183 88.732 82.284 1.00 0.00 N ATOM 0 H ARG A 77 42.470 94.124 80.838 1.00 0.00 H new ATOM 0 HA ARG A 77 43.948 92.099 82.470 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.433 92.345 80.750 1.00 0.00 H new ATOM 0 HB3 ARG A 77 42.024 90.765 81.227 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.119 92.246 83.627 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.650 92.816 82.860 1.00 0.00 H new ATOM 0 HD2 ARG A 77 41.345 89.857 83.333 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.194 90.784 84.275 1.00 0.00 H new ATOM 0 HE ARG A 77 39.155 91.279 81.803 1.00 0.00 H new ATOM 0 HH11 ARG A 77 40.973 89.007 80.775 1.00 0.00 H new ATOM 0 HH12 ARG A 77 39.853 87.641 80.811 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.557 89.261 82.891 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.936 87.784 81.999 1.00 0.00 H new ATOM 1133 N PRO A 78 44.861 90.634 80.594 1.00 23.86 N ATOM 1134 CA PRO A 78 45.691 90.041 79.498 1.00 24.22 C ATOM 1135 C PRO A 78 44.891 89.927 78.191 1.00 24.36 C ATOM 1136 O PRO A 78 43.796 89.396 78.162 1.00 22.27 O ATOM 1137 CB PRO A 78 46.082 88.666 80.025 1.00 25.39 C ATOM 1138 CG PRO A 78 45.022 88.326 81.016 1.00 27.04 C ATOM 1139 CD PRO A 78 44.573 89.624 81.629 1.00 25.13 C ATOM 0 HA PRO A 78 46.558 90.656 79.257 1.00 24.22 H new ATOM 0 HB2 PRO A 78 46.123 87.931 79.221 1.00 25.39 H new ATOM 0 HB3 PRO A 78 47.068 88.686 80.490 1.00 25.39 H new ATOM 0 HG2 PRO A 78 44.188 87.817 80.532 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.408 87.650 81.779 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.512 89.601 81.878 1.00 25.13 H new ATOM 0 HD3 PRO A 78 45.112 89.836 82.552 1.00 25.13 H new ATOM 1147 N GLY A 79 45.448 90.420 77.110 1.00 24.74 N ATOM 1148 CA GLY A 79 44.746 90.343 75.793 1.00 23.79 C ATOM 1149 C GLY A 79 43.825 91.557 75.587 1.00 23.44 C ATOM 1150 O GLY A 79 43.413 91.838 74.476 1.00 22.44 O ATOM 0 H GLY A 79 46.361 90.873 77.085 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.480 90.298 74.988 1.00 23.79 H new ATOM 0 HA3 GLY A 79 44.160 89.425 75.742 1.00 23.79 H new ATOM 1154 N GLU A 80 43.500 92.284 76.633 1.00 23.31 N ATOM 1155 CA GLU A 80 42.610 93.476 76.474 1.00 21.90 C ATOM 1156 C GLU A 80 43.439 94.721 76.148 1.00 20.95 C ATOM 1157 O GLU A 80 44.647 94.726 76.290 1.00 19.52 O ATOM 1158 CB GLU A 80 41.901 93.636 77.819 1.00 23.06 C ATOM 1159 CG GLU A 80 40.922 92.478 78.022 1.00 23.88 C ATOM 1160 CD GLU A 80 39.798 92.571 76.989 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.104 93.574 76.987 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.650 91.636 76.219 1.00 25.91 O ATOM 0 H GLU A 80 43.813 92.102 77.587 1.00 23.31 H new ATOM 0 HA GLU A 80 41.899 93.348 75.657 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.632 93.654 78.627 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.368 94.586 77.850 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.443 91.526 77.923 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.508 92.511 79.030 1.00 23.88 H new ATOM 1169 N ALA A 81 42.796 95.776 75.707 1.00 0.00 N ATOM 1170 CA ALA A 81 43.541 97.024 75.363 1.00 0.00 C ATOM 1171 C ALA A 81 42.698 98.259 75.708 1.00 0.00 C ATOM 1172 O ALA A 81 41.484 98.231 75.642 1.00 0.00 O ATOM 1173 CB ALA A 81 43.786 96.940 73.856 1.00 0.00 C ATOM 0 H ALA A 81 41.786 95.825 75.571 1.00 0.00 H new ATOM 0 HA ALA A 81 44.474 97.114 75.920 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.331 97.825 73.526 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.372 96.049 73.632 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.830 96.887 73.334 1.00 0.00 H new ATOM 1179 N PHE A 82 43.340 99.346 76.054 1.00 18.56 N ATOM 1180 CA PHE A 82 42.599 100.599 76.383 1.00 17.00 C ATOM 1181 C PHE A 82 43.020 101.696 75.399 1.00 16.61 C ATOM 1182 O PHE A 82 44.149 101.711 74.944 1.00 15.77 O ATOM 1183 CB PHE A 82 43.026 100.952 77.812 1.00 13.41 C ATOM 1184 CG PHE A 82 42.332 102.220 78.250 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.087 102.150 78.889 1.00 10.24 C ATOM 1186 CD2 PHE A 82 42.930 103.464 78.017 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.442 103.324 79.293 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.283 104.639 78.422 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.038 104.567 79.060 1.00 9.06 C ATOM 0 H PHE A 82 44.355 99.418 76.123 1.00 18.56 H new ATOM 0 HA PHE A 82 41.517 100.489 76.311 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.775 100.136 78.489 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.107 101.083 77.857 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.626 101.190 79.070 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.890 103.518 77.525 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.482 103.270 79.786 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.744 105.599 78.242 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.538 105.472 79.372 1.00 9.06 H new ATOM 1199 N HIS A 83 42.139 102.604 75.056 1.00 0.00 N ATOM 1200 CA HIS A 83 42.525 103.678 74.086 1.00 0.00 C ATOM 1201 C HIS A 83 41.862 105.018 74.435 1.00 0.00 C ATOM 1202 O HIS A 83 40.703 105.076 74.799 1.00 0.00 O ATOM 1203 CB HIS A 83 42.040 103.177 72.719 1.00 0.00 C ATOM 1204 CG HIS A 83 40.552 102.939 72.750 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.635 103.965 72.578 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.809 101.799 72.931 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.404 103.426 72.659 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.454 102.108 72.873 1.00 0.00 N ATOM 0 H HIS A 83 41.180 102.649 75.401 1.00 0.00 H new ATOM 0 HA HIS A 83 43.599 103.860 74.103 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.283 103.909 71.948 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.558 102.254 72.457 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.215 100.812 73.094 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.488 103.990 72.563 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.667 101.466 72.972 1.00 0.00 H new ATOM 1216 N TYR A 84 42.594 106.095 74.294 1.00 21.96 N ATOM 1217 CA TYR A 84 42.027 107.448 74.576 1.00 22.81 C ATOM 1218 C TYR A 84 42.726 108.491 73.694 1.00 25.11 C ATOM 1219 O TYR A 84 43.802 108.251 73.175 1.00 26.65 O ATOM 1220 CB TYR A 84 42.258 107.703 76.074 1.00 19.35 C ATOM 1221 CG TYR A 84 43.734 107.812 76.394 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.470 106.663 76.703 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.359 109.065 76.403 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.829 106.764 77.017 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.718 109.167 76.721 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.454 108.017 77.028 1.00 12.19 C ATOM 1227 OH TYR A 84 47.793 108.116 77.348 1.00 13.46 O ATOM 0 H TYR A 84 43.569 106.094 73.993 1.00 21.96 H new ATOM 0 HA TYR A 84 40.963 107.513 74.348 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.751 108.621 76.371 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.817 106.893 76.655 1.00 19.35 H new ATOM 0 HD1 TYR A 84 43.988 105.697 76.699 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.792 109.953 76.164 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.397 105.875 77.251 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.199 110.134 76.729 1.00 14.00 H new ATOM 0 HH TYR A 84 48.070 109.055 77.308 1.00 13.46 H new ATOM 1237 N THR A 85 42.117 109.635 73.500 1.00 26.58 N ATOM 1238 CA THR A 85 42.739 110.681 72.628 1.00 26.99 C ATOM 1239 C THR A 85 43.333 111.822 73.462 1.00 28.14 C ATOM 1240 O THR A 85 42.746 112.270 74.429 1.00 27.02 O ATOM 1241 CB THR A 85 41.592 111.198 71.760 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.987 110.108 71.079 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.132 112.203 70.741 1.00 21.76 C ATOM 0 H THR A 85 41.217 109.890 73.907 1.00 26.58 H new ATOM 0 HA THR A 85 43.561 110.276 72.038 1.00 26.99 H new ATOM 0 HB THR A 85 40.851 111.688 72.392 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.250 110.438 70.523 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.313 112.570 70.123 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.595 113.039 71.265 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.874 111.716 70.108 1.00 21.76 H new ATOM 1251 N SER A 86 44.495 112.295 73.081 1.00 29.06 N ATOM 1252 CA SER A 86 45.140 113.414 73.832 1.00 29.05 C ATOM 1253 C SER A 86 45.434 114.578 72.877 1.00 29.43 C ATOM 1254 O SER A 86 45.396 114.414 71.668 1.00 29.12 O ATOM 1255 CB SER A 86 46.443 112.823 74.363 1.00 29.12 C ATOM 1256 OG SER A 86 47.240 113.867 74.906 1.00 33.88 O ATOM 0 H SER A 86 45.025 111.952 72.280 1.00 29.06 H new ATOM 0 HA SER A 86 44.509 113.802 74.631 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.233 112.074 75.127 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.981 112.318 73.561 1.00 29.12 H new ATOM 0 HG SER A 86 48.093 113.910 74.426 1.00 33.88 H new ATOM 1262 N GLY A 87 45.742 115.744 73.395 1.00 29.08 N ATOM 1263 CA GLY A 87 46.041 116.902 72.498 1.00 29.89 C ATOM 1264 C GLY A 87 47.162 117.759 73.096 1.00 31.80 C ATOM 1265 O GLY A 87 47.031 118.307 74.174 1.00 31.40 O ATOM 0 H GLY A 87 45.799 115.941 74.394 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.335 116.541 71.512 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.144 117.507 72.362 1.00 29.89 H new ATOM 1269 N VAL A 88 48.260 117.879 72.393 1.00 0.00 N ATOM 1270 CA VAL A 88 49.401 118.704 72.897 1.00 0.00 C ATOM 1271 C VAL A 88 49.903 119.630 71.783 1.00 0.00 C ATOM 1272 O VAL A 88 49.827 119.304 70.614 1.00 0.00 O ATOM 1273 CB VAL A 88 50.485 117.695 73.292 1.00 0.00 C ATOM 1274 CG1 VAL A 88 51.718 118.438 73.816 1.00 0.00 C ATOM 1275 CG2 VAL A 88 49.948 116.777 74.391 1.00 0.00 C ATOM 0 H VAL A 88 48.416 117.438 71.486 1.00 0.00 H new ATOM 0 HA VAL A 88 49.117 119.337 73.738 1.00 0.00 H new ATOM 0 HB VAL A 88 50.761 117.104 72.418 1.00 0.00 H new ATOM 0 HG11 VAL A 88 52.486 117.717 74.096 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.104 119.096 73.038 1.00 0.00 H new ATOM 0 HG13 VAL A 88 51.442 119.031 74.688 1.00 0.00 H new ATOM 0 HG21 VAL A 88 50.718 116.059 74.673 1.00 0.00 H new ATOM 0 HG22 VAL A 88 49.672 117.373 75.261 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.071 116.244 74.024 1.00 0.00 H new ATOM 1285 N LEU A 89 50.415 120.783 72.141 1.00 0.00 N ATOM 1286 CA LEU A 89 50.922 121.731 71.103 1.00 0.00 C ATOM 1287 C LEU A 89 52.456 121.768 71.123 1.00 0.00 C ATOM 1288 O LEU A 89 53.068 121.699 72.173 1.00 0.00 O ATOM 1289 CB LEU A 89 50.329 123.098 71.476 1.00 0.00 C ATOM 1290 CG LEU A 89 50.857 123.556 72.850 1.00 0.00 C ATOM 1291 CD1 LEU A 89 51.816 124.736 72.668 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.686 123.993 73.736 1.00 0.00 C ATOM 0 H LEU A 89 50.503 121.107 73.104 1.00 0.00 H new ATOM 0 HA LEU A 89 50.631 121.434 70.095 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.589 123.834 70.715 1.00 0.00 H new ATOM 0 HB3 LEU A 89 49.241 123.035 71.500 1.00 0.00 H new ATOM 0 HG LEU A 89 51.383 122.726 73.322 1.00 0.00 H new ATOM 0 HD11 LEU A 89 52.187 125.057 73.641 1.00 0.00 H new ATOM 0 HD12 LEU A 89 52.655 124.430 72.043 1.00 0.00 H new ATOM 0 HD13 LEU A 89 51.290 125.562 72.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 50.064 124.316 74.706 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.158 124.819 73.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.002 123.156 73.874 1.00 0.00 H new ATOM 1304 N LEU A 90 53.077 121.868 69.975 1.00 37.85 N ATOM 1305 CA LEU A 90 54.570 121.897 69.934 1.00 36.74 C ATOM 1306 C LEU A 90 55.062 123.147 69.200 1.00 35.30 C ATOM 1307 O LEU A 90 54.464 123.572 68.231 1.00 35.10 O ATOM 1308 CB LEU A 90 54.962 120.641 69.155 1.00 38.41 C ATOM 1309 CG LEU A 90 54.786 119.410 70.046 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.698 118.157 69.174 1.00 37.80 C ATOM 1311 CD2 LEU A 90 55.988 119.290 70.987 1.00 38.08 C ATOM 0 H LEU A 90 52.616 121.931 69.067 1.00 37.85 H new ATOM 0 HA LEU A 90 55.008 121.922 70.932 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.345 120.547 68.262 1.00 38.41 H new ATOM 0 HB3 LEU A 90 55.997 120.716 68.821 1.00 38.41 H new ATOM 0 HG LEU A 90 53.871 119.511 70.630 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.573 117.280 69.809 1.00 37.80 H new ATOM 0 HD12 LEU A 90 53.846 118.242 68.500 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.613 118.055 68.591 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.866 118.414 71.623 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.901 119.188 70.400 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.054 120.183 71.608 1.00 38.08 H new ATOM 1323 N GLU A 91 56.148 123.734 69.641 1.00 0.00 N ATOM 1324 CA GLU A 91 56.676 124.949 68.946 1.00 0.00 C ATOM 1325 C GLU A 91 57.518 124.540 67.726 1.00 0.00 C ATOM 1326 O GLU A 91 57.752 125.330 66.831 1.00 0.00 O ATOM 1327 CB GLU A 91 57.537 125.673 69.990 1.00 0.00 C ATOM 1328 CG GLU A 91 58.683 124.763 70.462 1.00 0.00 C ATOM 1329 CD GLU A 91 58.417 124.291 71.894 1.00 0.00 C ATOM 1330 OE1 GLU A 91 58.284 125.139 72.761 1.00 0.00 O ATOM 1331 OE2 GLU A 91 58.350 123.090 72.098 1.00 0.00 O ATOM 0 H GLU A 91 56.689 123.426 70.449 1.00 0.00 H new ATOM 0 HA GLU A 91 55.877 125.590 68.574 1.00 0.00 H new ATOM 0 HB2 GLU A 91 57.944 126.590 69.563 1.00 0.00 H new ATOM 0 HB3 GLU A 91 56.921 125.964 70.841 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.774 123.904 69.798 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.629 125.302 70.417 1.00 0.00 H new ATOM 1338 N THR A 92 57.972 123.310 67.689 1.00 31.63 N ATOM 1339 CA THR A 92 58.796 122.834 66.539 1.00 28.98 C ATOM 1340 C THR A 92 57.936 121.993 65.592 1.00 28.33 C ATOM 1341 O THR A 92 57.208 121.121 66.031 1.00 29.20 O ATOM 1342 CB THR A 92 59.872 121.955 67.183 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.371 122.596 68.348 1.00 29.23 O ATOM 1344 CG2 THR A 92 61.016 121.738 66.191 1.00 25.50 C ATOM 0 H THR A 92 57.804 122.612 68.413 1.00 31.63 H new ATOM 0 HA THR A 92 59.215 123.654 65.956 1.00 28.98 H new ATOM 0 HB THR A 92 59.440 120.992 67.454 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.277 121.996 69.117 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.782 121.112 66.650 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.634 121.246 65.296 1.00 25.50 H new ATOM 0 HG23 THR A 92 61.449 122.701 65.919 1.00 25.50 H new ATOM 1352 N GLU A 93 58.007 122.232 64.305 1.00 0.00 N ATOM 1353 CA GLU A 93 57.180 121.421 63.354 1.00 0.00 C ATOM 1354 C GLU A 93 57.786 120.018 63.169 1.00 0.00 C ATOM 1355 O GLU A 93 57.204 119.171 62.517 1.00 0.00 O ATOM 1356 CB GLU A 93 57.190 122.199 62.039 1.00 0.00 C ATOM 1357 CG GLU A 93 56.129 121.623 61.095 1.00 0.00 C ATOM 1358 CD GLU A 93 56.127 122.395 59.768 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.621 123.513 59.746 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.630 121.854 58.795 1.00 0.00 O ATOM 0 H GLU A 93 58.595 122.946 63.874 1.00 0.00 H new ATOM 0 HA GLU A 93 56.165 121.273 63.723 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.990 123.254 62.227 1.00 0.00 H new ATOM 0 HB3 GLU A 93 58.175 122.139 61.576 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.330 120.568 60.910 1.00 0.00 H new ATOM 0 HG3 GLU A 93 55.145 121.683 61.561 1.00 0.00 H new ATOM 1367 N GLN A 94 58.936 119.759 63.750 1.00 0.00 N ATOM 1368 CA GLN A 94 59.560 118.408 63.624 1.00 0.00 C ATOM 1369 C GLN A 94 60.142 118.004 64.983 1.00 0.00 C ATOM 1370 O GLN A 94 60.655 118.848 65.697 1.00 0.00 O ATOM 1371 CB GLN A 94 60.673 118.572 62.580 1.00 0.00 C ATOM 1372 CG GLN A 94 61.665 119.652 63.028 1.00 0.00 C ATOM 1373 CD GLN A 94 62.766 119.803 61.977 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.487 119.929 60.801 1.00 0.00 O ATOM 1375 NE2 GLN A 94 64.015 119.796 62.353 1.00 0.00 N ATOM 0 H GLN A 94 59.467 120.429 64.306 1.00 0.00 H new ATOM 0 HA GLN A 94 58.851 117.636 63.324 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.194 117.625 62.441 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.241 118.842 61.616 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.147 120.601 63.166 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.101 119.383 63.990 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.250 119.690 63.340 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.757 119.896 61.660 1.00 0.00 H new ATOM 1384 N GLY A 95 60.077 116.744 65.365 1.00 27.89 N ATOM 1385 CA GLY A 95 60.649 116.376 66.700 1.00 28.05 C ATOM 1386 C GLY A 95 60.547 114.875 66.992 1.00 27.70 C ATOM 1387 O GLY A 95 59.856 114.133 66.324 1.00 25.89 O ATOM 0 H GLY A 95 59.666 115.980 64.828 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.695 116.680 66.739 1.00 28.05 H new ATOM 0 HA3 GLY A 95 60.127 116.930 67.480 1.00 28.05 H new ATOM 1391 N GLN A 96 61.250 114.445 68.013 1.00 0.00 N ATOM 1392 CA GLN A 96 61.238 113.004 68.419 1.00 0.00 C ATOM 1393 C GLN A 96 60.670 112.871 69.836 1.00 0.00 C ATOM 1394 O GLN A 96 61.078 113.578 70.738 1.00 0.00 O ATOM 1395 CB GLN A 96 62.711 112.580 68.427 1.00 0.00 C ATOM 1396 CG GLN A 96 63.343 112.825 67.056 1.00 0.00 C ATOM 1397 CD GLN A 96 62.780 111.824 66.045 1.00 0.00 C ATOM 1398 OE1 GLN A 96 62.327 112.204 64.983 1.00 0.00 O ATOM 1399 NE2 GLN A 96 62.791 110.550 66.332 1.00 0.00 N ATOM 0 H GLN A 96 61.841 115.042 68.591 1.00 0.00 H new ATOM 0 HA GLN A 96 60.630 112.395 67.750 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.253 113.139 69.190 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.791 111.525 68.688 1.00 0.00 H new ATOM 0 HG2 GLN A 96 63.138 113.844 66.727 1.00 0.00 H new ATOM 0 HG3 GLN A 96 64.426 112.722 67.120 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.171 110.231 67.223 1.00 0.00 H new ATOM 0 HE22 GLN A 96 62.419 109.874 65.665 1.00 0.00 H new ATOM 1408 N MET A 97 59.728 111.984 70.039 1.00 0.00 N ATOM 1409 CA MET A 97 59.132 111.825 71.403 1.00 0.00 C ATOM 1410 C MET A 97 59.182 110.364 71.867 1.00 0.00 C ATOM 1411 O MET A 97 58.627 109.484 71.236 1.00 0.00 O ATOM 1412 CB MET A 97 57.682 112.280 71.243 1.00 0.00 C ATOM 1413 CG MET A 97 57.640 113.792 71.018 1.00 0.00 C ATOM 1414 SD MET A 97 55.931 114.311 70.724 1.00 0.00 S ATOM 1415 CE MET A 97 55.309 114.016 72.397 1.00 0.00 C ATOM 0 H MET A 97 59.347 111.365 69.323 1.00 0.00 H new ATOM 0 HA MET A 97 59.676 112.401 72.152 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.219 111.764 70.402 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.108 112.018 72.132 1.00 0.00 H new ATOM 0 HG2 MET A 97 58.045 114.311 71.887 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.265 114.061 70.166 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.278 113.666 72.345 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.925 113.261 72.886 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.349 114.943 72.969 1.00 0.00 H new ATOM 1425 N GLN A 98 59.828 110.104 72.978 1.00 0.00 N ATOM 1426 CA GLN A 98 59.909 108.712 73.519 1.00 0.00 C ATOM 1427 C GLN A 98 59.346 108.713 74.941 1.00 0.00 C ATOM 1428 O GLN A 98 59.393 109.729 75.614 1.00 0.00 O ATOM 1429 CB GLN A 98 61.403 108.389 73.549 1.00 0.00 C ATOM 1430 CG GLN A 98 61.884 108.036 72.143 1.00 0.00 C ATOM 1431 CD GLN A 98 63.413 108.087 72.094 1.00 0.00 C ATOM 1432 OE1 GLN A 98 64.040 108.732 72.912 1.00 0.00 O ATOM 1433 NE2 GLN A 98 64.047 107.428 71.161 1.00 0.00 N ATOM 0 H GLN A 98 60.309 110.807 73.540 1.00 0.00 H new ATOM 0 HA GLN A 98 59.350 107.987 72.927 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.962 109.244 73.931 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.591 107.557 74.227 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.535 107.041 71.868 1.00 0.00 H new ATOM 0 HG3 GLN A 98 61.464 108.733 71.418 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.523 106.886 70.474 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.066 107.455 71.120 1.00 0.00 H new ATOM 1442 N GLY A 99 58.814 107.609 75.416 1.00 29.62 N ATOM 1443 CA GLY A 99 58.260 107.622 76.809 1.00 28.62 C ATOM 1444 C GLY A 99 57.948 106.211 77.296 1.00 28.62 C ATOM 1445 O GLY A 99 58.060 105.248 76.567 1.00 29.22 O ATOM 0 H GLY A 99 58.740 106.723 74.916 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.977 108.091 77.483 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.354 108.227 76.836 1.00 28.62 H new ATOM 1449 N HIS A 100 57.554 106.095 78.539 1.00 0.00 N ATOM 1450 CA HIS A 100 57.217 104.758 79.111 1.00 0.00 C ATOM 1451 C HIS A 100 56.023 104.880 80.068 1.00 0.00 C ATOM 1452 O HIS A 100 55.755 105.935 80.610 1.00 0.00 O ATOM 1453 CB HIS A 100 58.474 104.298 79.859 1.00 0.00 C ATOM 1454 CG HIS A 100 58.864 105.310 80.904 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.409 106.540 80.572 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.805 105.283 82.276 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.658 107.197 81.719 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.308 106.476 82.788 1.00 0.00 N ATOM 0 H HIS A 100 57.451 106.876 79.186 1.00 0.00 H new ATOM 0 HA HIS A 100 56.933 104.042 78.339 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.292 103.332 80.330 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.294 104.159 79.154 1.00 0.00 H new ATOM 0 HD2 HIS A 100 58.426 104.462 82.867 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.088 108.186 81.770 1.00 0.00 H new ATOM 0 HE2 HIS A 100 59.391 106.742 83.769 1.00 0.00 H new ATOM 1466 N TYR A 101 55.309 103.804 80.276 1.00 25.77 N ATOM 1467 CA TYR A 101 54.130 103.837 81.197 1.00 25.79 C ATOM 1468 C TYR A 101 54.374 102.905 82.384 1.00 26.52 C ATOM 1469 O TYR A 101 54.674 101.740 82.198 1.00 27.05 O ATOM 1470 CB TYR A 101 52.948 103.324 80.364 1.00 24.67 C ATOM 1471 CG TYR A 101 52.318 104.445 79.560 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.070 105.698 80.145 1.00 20.31 C ATOM 1473 CD2 TYR A 101 51.973 104.223 78.220 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.479 106.719 79.392 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.383 105.248 77.468 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.136 106.494 78.055 1.00 23.58 C ATOM 1477 OH TYR A 101 50.552 107.502 77.315 1.00 25.91 O ATOM 0 H TYR A 101 55.492 102.898 79.845 1.00 25.77 H new ATOM 0 HA TYR A 101 53.947 104.836 81.592 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.288 102.537 79.691 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.201 102.880 81.022 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.336 105.874 81.177 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.162 103.261 77.766 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.288 107.681 79.844 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.119 105.076 76.435 1.00 24.17 H new ATOM 0 HH TYR A 101 49.591 107.532 77.504 1.00 25.91 H new ATOM 1487 N ASP A 102 54.223 103.376 83.598 1.00 0.00 N ATOM 1488 CA ASP A 102 54.421 102.475 84.773 1.00 0.00 C ATOM 1489 C ASP A 102 53.174 101.611 84.963 1.00 0.00 C ATOM 1490 O ASP A 102 52.071 102.103 85.112 1.00 0.00 O ATOM 1491 CB ASP A 102 54.647 103.396 85.972 1.00 0.00 C ATOM 1492 CG ASP A 102 55.100 102.566 87.175 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.309 101.767 87.650 1.00 0.00 O ATOM 1494 OD2 ASP A 102 56.229 102.745 87.602 1.00 0.00 O ATOM 0 H ASP A 102 53.973 104.339 83.824 1.00 0.00 H new ATOM 0 HA ASP A 102 55.266 101.799 84.644 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.399 104.147 85.731 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.728 103.931 86.211 1.00 0.00 H new ATOM 1499 N MET A 103 53.361 100.319 84.952 1.00 0.00 N ATOM 1500 CA MET A 103 52.220 99.371 85.118 1.00 0.00 C ATOM 1501 C MET A 103 52.436 98.502 86.358 1.00 0.00 C ATOM 1502 O MET A 103 53.533 98.405 86.876 1.00 0.00 O ATOM 1503 CB MET A 103 52.253 98.503 83.858 1.00 0.00 C ATOM 1504 CG MET A 103 52.043 99.379 82.621 1.00 0.00 C ATOM 1505 SD MET A 103 50.336 99.975 82.584 1.00 0.00 S ATOM 1506 CE MET A 103 49.551 98.394 82.185 1.00 0.00 C ATOM 0 H MET A 103 54.270 99.873 84.833 1.00 0.00 H new ATOM 0 HA MET A 103 51.267 99.885 85.245 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.208 97.982 83.789 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.477 97.739 83.911 1.00 0.00 H new ATOM 0 HG2 MET A 103 52.733 100.222 82.639 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.260 98.809 81.718 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.166 98.426 81.166 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.284 97.592 82.271 1.00 0.00 H new ATOM 0 HE3 MET A 103 48.729 98.211 82.877 1.00 0.00 H new ATOM 1516 N VAL A 104 51.394 97.869 86.835 1.00 21.01 N ATOM 1517 CA VAL A 104 51.531 97.001 88.045 1.00 21.69 C ATOM 1518 C VAL A 104 50.655 95.753 87.910 1.00 22.60 C ATOM 1519 O VAL A 104 49.473 95.842 87.631 1.00 22.32 O ATOM 1520 CB VAL A 104 51.054 97.851 89.235 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.104 98.916 89.555 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.711 98.529 88.918 1.00 23.28 C ATOM 0 H VAL A 104 50.455 97.915 86.440 1.00 21.01 H new ATOM 0 HA VAL A 104 52.560 96.665 88.176 1.00 21.69 H new ATOM 0 HB VAL A 104 50.916 97.197 90.096 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.766 99.518 90.398 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.047 98.432 89.809 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.248 99.557 88.686 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.393 99.125 89.774 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.826 99.176 88.048 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.960 97.768 88.707 1.00 23.28 H new ATOM 1532 N ALA A 105 51.221 94.594 88.123 1.00 0.00 N ATOM 1533 CA ALA A 105 50.421 93.335 88.030 1.00 0.00 C ATOM 1534 C ALA A 105 49.494 93.232 89.240 1.00 0.00 C ATOM 1535 O ALA A 105 49.647 93.953 90.208 1.00 0.00 O ATOM 1536 CB ALA A 105 51.450 92.203 88.046 1.00 0.00 C ATOM 0 H ALA A 105 52.205 94.464 88.358 1.00 0.00 H new ATOM 0 HA ALA A 105 49.799 93.299 87.136 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.937 91.244 87.981 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.124 92.312 87.197 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.023 92.245 88.972 1.00 0.00 H new ATOM 1542 N ASP A 106 48.529 92.349 89.189 1.00 0.00 N ATOM 1543 CA ASP A 106 47.583 92.212 90.340 1.00 0.00 C ATOM 1544 C ASP A 106 48.329 91.730 91.590 1.00 0.00 C ATOM 1545 O ASP A 106 47.927 92.013 92.703 1.00 0.00 O ATOM 1546 CB ASP A 106 46.544 91.176 89.893 1.00 0.00 C ATOM 1547 CG ASP A 106 47.235 89.850 89.557 1.00 0.00 C ATOM 1548 OD1 ASP A 106 48.073 89.849 88.672 1.00 0.00 O ATOM 1549 OD2 ASP A 106 46.913 88.860 90.193 1.00 0.00 O ATOM 0 H ASP A 106 48.355 91.720 88.405 1.00 0.00 H new ATOM 0 HA ASP A 106 47.116 93.162 90.600 1.00 0.00 H new ATOM 0 HB2 ASP A 106 45.809 91.022 90.683 1.00 0.00 H new ATOM 0 HB3 ASP A 106 46.003 91.544 89.021 1.00 0.00 H new ATOM 1554 N ASP A 107 49.399 90.996 91.416 1.00 0.00 N ATOM 1555 CA ASP A 107 50.161 90.483 92.599 1.00 0.00 C ATOM 1556 C ASP A 107 51.012 91.588 93.243 1.00 0.00 C ATOM 1557 O ASP A 107 51.628 91.374 94.272 1.00 0.00 O ATOM 1558 CB ASP A 107 51.055 89.365 92.046 1.00 0.00 C ATOM 1559 CG ASP A 107 52.012 89.917 90.977 1.00 0.00 C ATOM 1560 OD1 ASP A 107 51.839 91.054 90.568 1.00 0.00 O ATOM 1561 OD2 ASP A 107 52.904 89.184 90.583 1.00 0.00 O ATOM 0 H ASP A 107 49.779 90.729 90.508 1.00 0.00 H new ATOM 0 HA ASP A 107 49.490 90.127 93.380 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.628 88.915 92.857 1.00 0.00 H new ATOM 0 HB3 ASP A 107 50.437 88.577 91.616 1.00 0.00 H new ATOM 1566 N GLY A 108 51.049 92.767 92.665 1.00 30.43 N ATOM 1567 CA GLY A 108 51.855 93.871 93.268 1.00 29.11 C ATOM 1568 C GLY A 108 53.206 94.017 92.553 1.00 29.35 C ATOM 1569 O GLY A 108 53.924 94.973 92.783 1.00 30.17 O ATOM 0 H GLY A 108 50.557 93.009 91.805 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.302 94.808 93.203 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.019 93.670 94.327 1.00 29.11 H new ATOM 1573 N THR A 109 53.567 93.089 91.693 1.00 0.00 N ATOM 1574 CA THR A 109 54.884 93.200 90.980 1.00 0.00 C ATOM 1575 C THR A 109 54.952 94.524 90.207 1.00 0.00 C ATOM 1576 O THR A 109 54.003 94.912 89.551 1.00 0.00 O ATOM 1577 CB THR A 109 54.924 92.012 90.015 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.780 90.806 90.749 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.258 92.001 89.267 1.00 0.00 C ATOM 0 H THR A 109 53.012 92.267 91.456 1.00 0.00 H new ATOM 0 HA THR A 109 55.728 93.187 91.670 1.00 0.00 H new ATOM 0 HB THR A 109 54.110 92.101 89.295 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.336 90.134 90.190 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.284 91.154 88.581 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.367 92.928 88.704 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.076 91.913 89.982 1.00 0.00 H new ATOM 1587 N GLU A 110 56.056 95.226 90.290 1.00 0.00 N ATOM 1588 CA GLU A 110 56.167 96.530 89.569 1.00 0.00 C ATOM 1589 C GLU A 110 56.978 96.373 88.278 1.00 0.00 C ATOM 1590 O GLU A 110 57.969 95.669 88.233 1.00 0.00 O ATOM 1591 CB GLU A 110 56.879 97.467 90.546 1.00 0.00 C ATOM 1592 CG GLU A 110 56.981 98.867 89.935 1.00 0.00 C ATOM 1593 CD GLU A 110 57.693 99.802 90.913 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.586 99.337 91.603 1.00 0.00 O ATOM 1595 OE2 GLU A 110 57.334 100.966 90.958 1.00 0.00 O ATOM 0 H GLU A 110 56.881 94.953 90.824 1.00 0.00 H new ATOM 0 HA GLU A 110 55.191 96.914 89.273 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.332 97.510 91.488 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.874 97.085 90.772 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.528 98.825 88.993 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.986 99.250 89.709 1.00 0.00 H new ATOM 1602 N PHE A 111 56.561 97.040 87.234 1.00 27.41 N ATOM 1603 CA PHE A 111 57.288 96.964 85.933 1.00 27.50 C ATOM 1604 C PHE A 111 56.806 98.090 85.007 1.00 28.03 C ATOM 1605 O PHE A 111 55.652 98.472 85.028 1.00 27.72 O ATOM 1606 CB PHE A 111 56.977 95.568 85.363 1.00 26.12 C ATOM 1607 CG PHE A 111 55.529 95.470 84.929 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.544 95.084 85.844 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.179 95.765 83.606 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.208 94.993 85.436 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.845 95.674 83.199 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.858 95.288 84.113 1.00 23.73 C ATOM 0 H PHE A 111 55.737 97.642 87.228 1.00 27.41 H new ATOM 0 HA PHE A 111 58.365 97.095 86.042 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.630 95.364 84.514 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.187 94.809 86.116 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.814 94.856 86.865 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.940 96.063 82.900 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.447 94.695 86.142 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.576 95.902 82.178 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.827 95.218 83.798 1.00 23.73 H new ATOM 1622 N ILE A 112 57.694 98.630 84.214 1.00 0.00 N ATOM 1623 CA ILE A 112 57.314 99.747 83.298 1.00 0.00 C ATOM 1624 C ILE A 112 57.061 99.223 81.880 1.00 0.00 C ATOM 1625 O ILE A 112 57.559 98.184 81.490 1.00 0.00 O ATOM 1626 CB ILE A 112 58.513 100.703 83.317 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.753 101.198 84.747 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.228 101.906 82.413 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.084 101.949 84.810 1.00 0.00 C ATOM 0 H ILE A 112 58.672 98.344 84.161 1.00 0.00 H new ATOM 0 HA ILE A 112 56.394 100.239 83.614 1.00 0.00 H new ATOM 0 HB ILE A 112 59.396 100.175 82.957 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.939 101.853 85.058 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.766 100.355 85.438 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.082 102.583 82.429 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.056 101.562 81.393 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.343 102.430 82.773 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.255 102.301 85.827 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.893 101.280 84.517 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.053 102.801 84.131 1.00 0.00 H new ATOM 1641 N ALA A 113 56.306 99.957 81.105 1.00 0.00 N ATOM 1642 CA ALA A 113 56.023 99.545 79.699 1.00 0.00 C ATOM 1643 C ALA A 113 56.542 100.634 78.749 1.00 0.00 C ATOM 1644 O ALA A 113 55.872 101.621 78.516 1.00 0.00 O ATOM 1645 CB ALA A 113 54.502 99.423 79.611 1.00 0.00 C ATOM 0 H ALA A 113 55.869 100.834 81.390 1.00 0.00 H new ATOM 0 HA ALA A 113 56.507 98.608 79.424 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.219 99.122 78.602 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.155 98.675 80.324 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.046 100.385 79.844 1.00 0.00 H new ATOM 1651 N PRO A 114 57.740 100.425 78.249 1.00 31.26 N ATOM 1652 CA PRO A 114 58.334 101.445 77.338 1.00 32.26 C ATOM 1653 C PRO A 114 57.484 101.672 76.083 1.00 31.77 C ATOM 1654 O PRO A 114 56.885 100.769 75.533 1.00 33.24 O ATOM 1655 CB PRO A 114 59.696 100.868 76.964 1.00 32.64 C ATOM 1656 CG PRO A 114 59.546 99.398 77.142 1.00 33.31 C ATOM 1657 CD PRO A 114 58.566 99.200 78.262 1.00 32.61 C ATOM 0 HA PRO A 114 58.398 102.420 77.821 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.963 101.117 75.937 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.484 101.266 77.604 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.186 98.931 76.225 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.505 98.937 77.380 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.958 98.309 78.105 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.075 99.074 79.218 1.00 32.61 H new ATOM 1665 N ILE A 115 57.464 102.898 75.633 1.00 30.59 N ATOM 1666 CA ILE A 115 56.700 103.267 74.405 1.00 30.04 C ATOM 1667 C ILE A 115 57.692 103.635 73.301 1.00 30.45 C ATOM 1668 O ILE A 115 58.525 104.515 73.469 1.00 30.15 O ATOM 1669 CB ILE A 115 55.848 104.484 74.786 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.965 104.147 75.993 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.956 104.867 73.604 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.310 105.425 76.519 1.00 28.50 C ATOM 0 H ILE A 115 57.955 103.675 76.074 1.00 30.59 H new ATOM 0 HA ILE A 115 56.073 102.452 74.043 1.00 30.04 H new ATOM 0 HB ILE A 115 56.506 105.315 75.041 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.200 103.425 75.707 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.564 103.683 76.777 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.349 105.732 73.872 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.578 105.113 72.743 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.304 104.030 73.354 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.682 105.185 77.377 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.083 106.132 76.821 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.698 105.870 75.734 1.00 28.50 H new ATOM 1684 N ALA A 116 57.608 102.960 72.178 1.00 30.78 N ATOM 1685 CA ALA A 116 58.546 103.229 71.037 1.00 29.78 C ATOM 1686 C ALA A 116 58.660 104.727 70.741 1.00 29.57 C ATOM 1687 O ALA A 116 57.924 105.534 71.277 1.00 28.51 O ATOM 1688 CB ALA A 116 57.930 102.503 69.840 1.00 27.76 C ATOM 0 H ALA A 116 56.922 102.226 72.001 1.00 30.78 H new ATOM 0 HA ALA A 116 59.555 102.886 71.266 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.558 102.651 68.962 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.857 101.438 70.059 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.935 102.902 69.645 1.00 27.76 H new ATOM 1694 N ALA A 117 59.589 105.098 69.897 1.00 0.00 N ATOM 1695 CA ALA A 117 59.775 106.537 69.564 1.00 0.00 C ATOM 1696 C ALA A 117 59.102 106.877 68.234 1.00 0.00 C ATOM 1697 O ALA A 117 59.416 106.306 67.206 1.00 0.00 O ATOM 1698 CB ALA A 117 61.288 106.716 69.445 1.00 0.00 C ATOM 0 H ALA A 117 60.229 104.460 69.423 1.00 0.00 H new ATOM 0 HA ALA A 117 59.333 107.189 70.317 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.513 107.754 69.200 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.761 106.456 70.392 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.670 106.066 68.658 1.00 0.00 H new ATOM 1704 N PHE A 118 58.208 107.828 68.246 1.00 29.64 N ATOM 1705 CA PHE A 118 57.535 108.246 66.983 1.00 29.08 C ATOM 1706 C PHE A 118 58.010 109.655 66.631 1.00 30.66 C ATOM 1707 O PHE A 118 58.458 110.390 67.492 1.00 30.55 O ATOM 1708 CB PHE A 118 56.027 108.210 67.264 1.00 25.73 C ATOM 1709 CG PHE A 118 55.677 109.091 68.441 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.386 110.446 68.240 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.628 108.550 69.731 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.050 111.259 69.330 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.292 109.362 70.821 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.003 110.716 70.620 1.00 21.66 C ATOM 0 H PHE A 118 57.913 108.336 69.080 1.00 29.64 H new ATOM 0 HA PHE A 118 57.767 107.595 66.140 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.480 108.542 66.381 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.715 107.185 67.466 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.421 110.864 67.245 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.850 107.504 69.886 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.827 112.304 69.176 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.256 108.944 71.816 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.743 111.343 71.460 1.00 21.66 H new ATOM 1724 N VAL A 119 57.932 110.040 65.384 1.00 0.00 N ATOM 1725 CA VAL A 119 58.398 111.405 64.998 1.00 0.00 C ATOM 1726 C VAL A 119 57.228 112.249 64.487 1.00 0.00 C ATOM 1727 O VAL A 119 56.236 111.733 64.006 1.00 0.00 O ATOM 1728 CB VAL A 119 59.441 111.175 63.897 1.00 0.00 C ATOM 1729 CG1 VAL A 119 58.799 110.453 62.709 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.002 112.523 63.430 1.00 0.00 C ATOM 0 H VAL A 119 57.568 109.472 64.619 1.00 0.00 H new ATOM 0 HA VAL A 119 58.820 111.951 65.842 1.00 0.00 H new ATOM 0 HB VAL A 119 60.248 110.561 64.296 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.547 110.294 61.932 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.406 109.491 63.037 1.00 0.00 H new ATOM 0 HG13 VAL A 119 57.986 111.060 62.311 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.743 112.357 62.648 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.192 113.138 63.038 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.471 113.033 64.271 1.00 0.00 H new ATOM 1740 N LEU A 120 57.351 113.545 64.584 1.00 36.62 N ATOM 1741 CA LEU A 120 56.267 114.447 64.103 1.00 37.66 C ATOM 1742 C LEU A 120 56.765 115.233 62.893 1.00 38.64 C ATOM 1743 O LEU A 120 57.853 115.780 62.909 1.00 37.83 O ATOM 1744 CB LEU A 120 55.961 115.398 65.269 1.00 38.14 C ATOM 1745 CG LEU A 120 55.204 114.661 66.384 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.132 113.664 67.084 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.692 115.680 67.404 1.00 37.30 C ATOM 0 H LEU A 120 58.162 114.021 64.979 1.00 36.62 H new ATOM 0 HA LEU A 120 55.376 113.896 63.801 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.890 115.809 65.663 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.366 116.239 64.913 1.00 38.14 H new ATOM 0 HG LEU A 120 54.366 114.118 65.947 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.584 113.148 67.872 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.497 112.936 66.359 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.977 114.197 67.519 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.154 115.162 68.198 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.535 116.222 67.832 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.021 116.383 66.910 1.00 37.30 H new ATOM 1759 N SER A 121 55.985 115.284 61.845 1.00 0.00 N ATOM 1760 CA SER A 121 56.405 116.028 60.621 1.00 0.00 C ATOM 1761 C SER A 121 55.173 116.484 59.833 1.00 0.00 C ATOM 1762 O SER A 121 54.346 115.686 59.439 1.00 0.00 O ATOM 1763 CB SER A 121 57.221 115.025 59.808 1.00 0.00 C ATOM 1764 OG SER A 121 57.708 115.659 58.632 1.00 0.00 O ATOM 0 H SER A 121 55.069 114.839 61.784 1.00 0.00 H new ATOM 0 HA SER A 121 56.980 116.923 60.858 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.053 114.648 60.403 1.00 0.00 H new ATOM 0 HB3 SER A 121 56.604 114.166 59.543 1.00 0.00 H new ATOM 0 HG SER A 121 58.234 115.018 58.109 1.00 0.00 H new TER 1770 SER A 121