USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 GLN : amide:sc= -1.95 K(o=-0.61,f=-4.5!) USER MOD Set 1.2: A 121 SER OG : rot -31:sc= 1.33 USER MOD Set 2.1: A 33 TYR OH : rot -111:sc= 0.975 USER MOD Set 2.2: A 86 SER OG : rot -104:sc= 2.17 USER MOD Set 3.1: A 55 THR OG1 : rot -17:sc= 0.125 USER MOD Set 3.2: A 61 THR OG1 : rot 20:sc= 1.8 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0.441 USER MOD Set 4.2: A 109 THR OG1 : rot 162:sc= 0.474 USER MOD Single : A 14 SER OG : rot 51:sc= 1.12 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -112:sc= 0.992 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -87:sc= 0.249 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.41) USER MOD Single : A 39 ASN : amide:sc= -2.53 K(o=-2.5,f=-8.3!) USER MOD Single : A 51 HIS : no HE2:sc= -0.225 X(o=-0.23,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 58 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 83 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-2.1) USER MOD Single : A 84 TYR OH : rot 165:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 98:sc= 0.24 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -171:sc= -2.27 (180deg=-2.63!) USER MOD Single : A 98 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.3!) USER MOD Single : A 100 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-4.6!) USER MOD Single : A 101 TYR OH : rot 81:sc= -0.847 USER MOD Single : A 103 MET CE :methyl 146:sc= -0.925 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.361 86.922 81.700 1.00 0.00 N ATOM 2 CA ARG A 6 54.108 87.148 82.477 1.00 0.00 C ATOM 3 C ARG A 6 53.784 88.644 82.545 1.00 0.00 C ATOM 4 O ARG A 6 52.639 89.031 82.699 1.00 0.00 O ATOM 5 CB ARG A 6 54.402 86.598 83.874 1.00 0.00 C ATOM 6 CG ARG A 6 54.498 85.073 83.813 1.00 0.00 C ATOM 7 CD ARG A 6 54.793 84.522 85.209 1.00 0.00 C ATOM 8 NE ARG A 6 54.866 83.045 85.033 1.00 0.00 N ATOM 9 CZ ARG A 6 54.330 82.255 85.921 1.00 0.00 C ATOM 10 NH1 ARG A 6 55.005 81.915 86.985 1.00 0.00 N ATOM 11 NH2 ARG A 6 53.117 81.803 85.747 1.00 0.00 N ATOM 0 HA ARG A 6 53.247 86.660 82.019 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.335 87.017 84.252 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.615 86.896 84.567 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.565 84.654 83.435 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.285 84.775 83.120 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.729 84.920 85.600 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.010 84.797 85.915 1.00 0.00 H new ATOM 0 HE ARG A 6 55.335 82.651 84.218 1.00 0.00 H new ATOM 0 HH11 ARG A 6 55.952 82.267 87.122 1.00 0.00 H new ATOM 0 HH12 ARG A 6 54.585 81.297 87.679 1.00 0.00 H new ATOM 0 HH21 ARG A 6 52.588 82.068 84.916 1.00 0.00 H new ATOM 0 HH22 ARG A 6 52.698 81.185 86.442 1.00 0.00 H new ATOM 25 N TYR A 7 54.782 89.485 82.429 1.00 31.93 N ATOM 26 CA TYR A 7 54.537 90.959 82.485 1.00 29.59 C ATOM 27 C TYR A 7 54.900 91.603 81.142 1.00 29.68 C ATOM 28 O TYR A 7 56.061 91.729 80.799 1.00 30.50 O ATOM 29 CB TYR A 7 55.452 91.480 83.596 1.00 27.35 C ATOM 30 CG TYR A 7 55.096 90.812 84.906 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.778 90.851 85.378 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.085 90.154 85.646 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.451 90.232 86.591 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.758 89.534 86.858 1.00 22.47 C ATOM 35 CZ TYR A 7 54.440 89.574 87.330 1.00 22.87 C ATOM 36 OH TYR A 7 54.117 88.963 88.525 1.00 25.71 O ATOM 0 H TYR A 7 55.757 89.214 82.298 1.00 31.93 H new ATOM 0 HA TYR A 7 53.491 91.195 82.682 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.494 91.280 83.346 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.349 92.561 83.688 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.014 91.358 84.807 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.101 90.124 85.282 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.435 90.263 86.956 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.521 89.025 87.428 1.00 22.47 H new ATOM 0 HH TYR A 7 54.919 88.552 88.909 1.00 25.71 H new ATOM 46 N ARG A 8 53.913 92.008 80.384 1.00 0.00 N ATOM 47 CA ARG A 8 54.188 92.641 79.059 1.00 0.00 C ATOM 48 C ARG A 8 53.021 93.541 78.639 1.00 0.00 C ATOM 49 O ARG A 8 51.866 93.177 78.745 1.00 0.00 O ATOM 50 CB ARG A 8 54.347 91.472 78.085 1.00 0.00 C ATOM 51 CG ARG A 8 55.100 91.938 76.830 1.00 0.00 C ATOM 52 CD ARG A 8 56.235 90.958 76.510 1.00 0.00 C ATOM 53 NE ARG A 8 55.558 89.696 76.098 1.00 0.00 N ATOM 54 CZ ARG A 8 56.244 88.748 75.521 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.610 88.873 74.274 1.00 0.00 N ATOM 56 NH2 ARG A 8 56.564 87.674 76.190 1.00 0.00 N ATOM 0 H ARG A 8 52.926 91.927 80.627 1.00 0.00 H new ATOM 0 HA ARG A 8 55.075 93.274 79.084 1.00 0.00 H new ATOM 0 HB2 ARG A 8 54.891 90.658 78.565 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.368 91.082 77.808 1.00 0.00 H new ATOM 0 HG2 ARG A 8 54.414 92.002 75.986 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.504 92.938 76.988 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.873 91.341 75.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 56.873 90.797 77.379 1.00 0.00 H new ATOM 0 HE ARG A 8 54.560 89.573 76.267 1.00 0.00 H new ATOM 0 HH11 ARG A 8 56.360 89.712 73.751 1.00 0.00 H new ATOM 0 HH12 ARG A 8 57.146 88.132 73.823 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.278 87.576 77.164 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.100 86.933 75.739 1.00 0.00 H new ATOM 70 N VAL A 9 53.331 94.717 78.160 1.00 0.00 N ATOM 71 CA VAL A 9 52.276 95.680 77.716 1.00 0.00 C ATOM 72 C VAL A 9 52.855 96.595 76.629 1.00 0.00 C ATOM 73 O VAL A 9 53.768 97.362 76.866 1.00 0.00 O ATOM 74 CB VAL A 9 51.900 96.488 78.967 1.00 0.00 C ATOM 75 CG1 VAL A 9 50.845 97.538 78.604 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.326 95.549 80.031 1.00 0.00 C ATOM 0 H VAL A 9 54.287 95.058 78.055 1.00 0.00 H new ATOM 0 HA VAL A 9 51.403 95.181 77.296 1.00 0.00 H new ATOM 0 HB VAL A 9 52.791 96.982 79.355 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.580 98.110 79.493 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.247 98.211 77.846 1.00 0.00 H new ATOM 0 HG13 VAL A 9 49.957 97.041 78.214 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.060 96.124 80.918 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.437 95.055 79.639 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.072 94.799 80.295 1.00 0.00 H new ATOM 86 N GLU A 10 52.317 96.514 75.443 1.00 0.00 N ATOM 87 CA GLU A 10 52.794 97.363 74.310 1.00 0.00 C ATOM 88 C GLU A 10 51.754 98.432 73.962 1.00 0.00 C ATOM 89 O GLU A 10 50.580 98.158 73.825 1.00 0.00 O ATOM 90 CB GLU A 10 52.966 96.392 73.141 1.00 0.00 C ATOM 91 CG GLU A 10 54.159 95.472 73.412 1.00 0.00 C ATOM 92 CD GLU A 10 54.336 94.496 72.244 1.00 0.00 C ATOM 93 OE1 GLU A 10 54.000 94.864 71.130 1.00 0.00 O ATOM 94 OE2 GLU A 10 54.810 93.398 72.485 1.00 0.00 O ATOM 0 H GLU A 10 51.552 95.883 75.205 1.00 0.00 H new ATOM 0 HA GLU A 10 53.717 97.889 74.553 1.00 0.00 H new ATOM 0 HB2 GLU A 10 52.060 95.801 73.009 1.00 0.00 H new ATOM 0 HB3 GLU A 10 53.123 96.945 72.215 1.00 0.00 H new ATOM 0 HG2 GLU A 10 55.064 96.064 73.544 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.002 94.920 74.339 1.00 0.00 H new ATOM 101 N VAL A 11 52.200 99.652 73.816 1.00 26.88 N ATOM 102 CA VAL A 11 51.266 100.765 73.472 1.00 26.83 C ATOM 103 C VAL A 11 51.677 101.390 72.134 1.00 27.58 C ATOM 104 O VAL A 11 52.848 101.579 71.863 1.00 28.21 O ATOM 105 CB VAL A 11 51.406 101.782 74.610 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.461 102.961 74.361 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.041 101.117 75.941 1.00 25.75 C ATOM 0 H VAL A 11 53.177 99.927 73.921 1.00 26.88 H new ATOM 0 HA VAL A 11 50.236 100.424 73.367 1.00 26.83 H new ATOM 0 HB VAL A 11 52.435 102.138 74.649 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.561 103.684 75.170 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.716 103.438 73.415 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.433 102.601 74.321 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.141 101.841 76.749 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.012 100.760 75.899 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.710 100.276 76.123 1.00 25.75 H new ATOM 117 N GLU A 12 50.723 101.711 71.301 1.00 0.00 N ATOM 118 CA GLU A 12 51.039 102.326 69.977 1.00 0.00 C ATOM 119 C GLU A 12 50.382 103.702 69.878 1.00 0.00 C ATOM 120 O GLU A 12 49.249 103.889 70.277 1.00 0.00 O ATOM 121 CB GLU A 12 50.436 101.370 68.946 1.00 0.00 C ATOM 122 CG GLU A 12 51.240 100.068 68.924 1.00 0.00 C ATOM 123 CD GLU A 12 52.652 100.347 68.403 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.766 100.809 67.279 1.00 0.00 O ATOM 125 OE2 GLU A 12 53.593 100.094 69.135 1.00 0.00 O ATOM 0 H GLU A 12 49.729 101.572 71.482 1.00 0.00 H new ATOM 0 HA GLU A 12 52.109 102.467 69.824 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.395 101.162 69.192 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.444 101.831 67.958 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.289 99.641 69.926 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.745 99.334 68.289 1.00 0.00 H new ATOM 132 N VAL A 13 51.091 104.669 69.350 1.00 26.55 N ATOM 133 CA VAL A 13 50.519 106.042 69.226 1.00 26.45 C ATOM 134 C VAL A 13 50.688 106.567 67.796 1.00 27.95 C ATOM 135 O VAL A 13 51.729 106.420 67.185 1.00 27.94 O ATOM 136 CB VAL A 13 51.308 106.900 70.221 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.801 108.343 70.179 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.124 106.343 71.636 1.00 26.97 C ATOM 0 H VAL A 13 52.043 104.565 68.999 1.00 26.55 H new ATOM 0 HA VAL A 13 49.450 106.061 69.439 1.00 26.45 H new ATOM 0 HB VAL A 13 52.364 106.879 69.951 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.366 108.948 70.888 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.932 108.745 69.174 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.744 108.365 70.444 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.685 106.954 72.343 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.067 106.362 71.900 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.489 105.317 71.673 1.00 26.97 H new ATOM 148 N SER A 14 49.657 107.182 67.265 1.00 0.00 N ATOM 149 CA SER A 14 49.731 107.728 65.878 1.00 0.00 C ATOM 150 C SER A 14 49.393 109.229 65.877 1.00 0.00 C ATOM 151 O SER A 14 48.239 109.599 65.985 1.00 0.00 O ATOM 152 CB SER A 14 48.687 106.942 65.086 1.00 0.00 C ATOM 153 OG SER A 14 47.392 107.245 65.587 1.00 0.00 O ATOM 0 H SER A 14 48.765 107.328 67.738 1.00 0.00 H new ATOM 0 HA SER A 14 50.728 107.628 65.448 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.749 107.196 64.028 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.880 105.872 65.168 1.00 0.00 H new ATOM 0 HG SER A 14 47.275 108.217 65.626 1.00 0.00 H new ATOM 159 N PRO A 15 50.415 110.046 65.753 1.00 28.75 N ATOM 160 CA PRO A 15 50.170 111.517 65.740 1.00 30.20 C ATOM 161 C PRO A 15 49.763 111.996 64.340 1.00 33.00 C ATOM 162 O PRO A 15 49.902 111.292 63.359 1.00 32.76 O ATOM 163 CB PRO A 15 51.508 112.124 66.146 1.00 29.34 C ATOM 164 CG PRO A 15 52.524 111.103 65.765 1.00 29.59 C ATOM 165 CD PRO A 15 51.858 109.758 65.873 1.00 28.91 C ATOM 0 HA PRO A 15 49.357 111.806 66.407 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.685 113.069 65.632 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.539 112.332 67.215 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.882 111.276 64.750 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.391 111.158 66.423 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.195 109.085 65.085 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.088 109.277 66.823 1.00 28.91 H new ATOM 173 N ARG A 16 49.251 113.199 64.262 1.00 34.77 N ATOM 174 CA ARG A 16 48.812 113.770 62.952 1.00 37.64 C ATOM 175 C ARG A 16 48.790 115.302 63.034 1.00 38.99 C ATOM 176 O ARG A 16 48.282 115.882 63.976 1.00 38.96 O ATOM 177 CB ARG A 16 47.405 113.211 62.705 1.00 40.22 C ATOM 178 CG ARG A 16 46.476 113.592 63.861 1.00 43.41 C ATOM 179 CD ARG A 16 45.080 113.017 63.605 1.00 47.90 C ATOM 180 NE ARG A 16 44.448 113.958 62.640 1.00 51.85 N ATOM 181 CZ ARG A 16 43.174 114.227 62.730 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.679 114.668 63.855 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.396 114.056 61.698 1.00 54.10 N ATOM 0 H ARG A 16 49.117 113.818 65.062 1.00 34.77 H new ATOM 0 HA ARG A 16 49.487 113.503 62.139 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.010 113.601 61.767 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.449 112.126 62.606 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.872 113.209 64.801 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.422 114.677 63.956 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.137 112.009 63.194 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.504 112.952 64.528 1.00 47.90 H new ATOM 0 HE ARG A 16 45.011 114.393 61.908 1.00 51.85 H new ATOM 0 HH11 ARG A 16 43.288 114.802 64.662 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.684 114.879 63.926 1.00 53.27 H new ATOM 0 HH21 ARG A 16 42.783 113.712 60.819 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.401 114.266 61.769 1.00 54.10 H new ATOM 197 N PHE A 17 49.366 115.949 62.055 1.00 0.00 N ATOM 198 CA PHE A 17 49.421 117.446 62.048 1.00 0.00 C ATOM 199 C PHE A 17 48.014 118.060 62.051 1.00 0.00 C ATOM 200 O PHE A 17 47.119 117.591 61.373 1.00 0.00 O ATOM 201 CB PHE A 17 50.148 117.804 60.748 1.00 0.00 C ATOM 202 CG PHE A 17 50.368 119.298 60.683 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.353 119.894 61.480 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.591 120.084 59.825 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.560 121.277 61.419 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.799 121.468 59.764 1.00 0.00 C ATOM 207 CZ PHE A 17 50.784 122.064 60.561 1.00 0.00 C ATOM 0 H PHE A 17 49.806 115.502 61.251 1.00 0.00 H new ATOM 0 HA PHE A 17 49.925 117.831 62.935 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.104 117.283 60.699 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.562 117.475 59.890 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.953 119.287 62.142 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.831 119.624 59.210 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.319 121.737 62.034 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.200 122.075 59.102 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.945 123.131 60.513 1.00 0.00 H new ATOM 217 N LEU A 18 47.825 119.115 62.804 1.00 0.00 N ATOM 218 CA LEU A 18 46.486 119.785 62.855 1.00 0.00 C ATOM 219 C LEU A 18 46.581 121.206 62.288 1.00 0.00 C ATOM 220 O LEU A 18 46.620 122.182 63.008 1.00 0.00 O ATOM 221 CB LEU A 18 46.091 119.813 64.331 1.00 0.00 C ATOM 222 CG LEU A 18 45.816 118.390 64.818 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.564 118.407 66.328 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.580 117.838 64.102 1.00 0.00 C ATOM 0 H LEU A 18 48.543 119.544 63.388 1.00 0.00 H new ATOM 0 HA LEU A 18 45.744 119.255 62.257 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.889 120.262 64.922 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.205 120.432 64.469 1.00 0.00 H new ATOM 0 HG LEU A 18 46.677 117.758 64.600 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.368 117.393 66.676 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.442 118.802 66.839 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.702 119.038 66.546 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.382 116.823 64.448 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.720 118.470 64.321 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.757 117.827 63.027 1.00 0.00 H new ATOM 236 N ALA A 19 46.590 121.305 60.986 1.00 0.00 N ATOM 237 CA ALA A 19 46.651 122.637 60.302 1.00 0.00 C ATOM 238 C ALA A 19 45.381 123.452 60.564 1.00 0.00 C ATOM 239 O ALA A 19 45.431 124.663 60.679 1.00 0.00 O ATOM 240 CB ALA A 19 46.734 122.299 58.810 1.00 0.00 C ATOM 0 H ALA A 19 46.557 120.506 60.353 1.00 0.00 H new ATOM 0 HA ALA A 19 47.492 123.232 60.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.782 123.221 58.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.627 121.704 58.621 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.851 121.731 58.516 1.00 0.00 H new ATOM 246 N HIS A 20 44.246 122.807 60.643 1.00 0.00 N ATOM 247 CA HIS A 20 42.973 123.557 60.877 1.00 0.00 C ATOM 248 C HIS A 20 42.923 124.123 62.301 1.00 0.00 C ATOM 249 O HIS A 20 42.218 125.077 62.567 1.00 0.00 O ATOM 250 CB HIS A 20 41.851 122.540 60.659 1.00 0.00 C ATOM 251 CG HIS A 20 41.768 122.191 59.199 1.00 0.00 C ATOM 252 ND1 HIS A 20 41.136 123.011 58.278 1.00 0.00 N ATOM 253 CD2 HIS A 20 42.232 121.114 58.485 1.00 0.00 C ATOM 254 CE1 HIS A 20 41.235 122.420 57.073 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.894 121.260 57.144 1.00 0.00 N ATOM 0 H HIS A 20 44.144 121.796 60.556 1.00 0.00 H new ATOM 0 HA HIS A 20 42.882 124.409 60.203 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.039 121.643 61.248 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.901 122.952 61.000 1.00 0.00 H new ATOM 0 HD2 HIS A 20 42.777 120.280 58.902 1.00 0.00 H new ATOM 0 HE1 HIS A 20 40.831 122.833 56.160 1.00 0.00 H new ATOM 0 HE2 HIS A 20 42.104 120.619 56.379 1.00 0.00 H new ATOM 263 N GLN A 21 43.657 123.541 63.217 1.00 51.13 N ATOM 264 CA GLN A 21 43.638 124.050 64.623 1.00 51.59 C ATOM 265 C GLN A 21 45.041 124.471 65.073 1.00 51.55 C ATOM 266 O GLN A 21 45.369 124.392 66.243 1.00 51.24 O ATOM 267 CB GLN A 21 43.138 122.874 65.462 1.00 52.27 C ATOM 268 CG GLN A 21 41.658 122.627 65.164 1.00 52.27 C ATOM 269 CD GLN A 21 41.157 121.449 66.003 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.612 121.640 67.073 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.321 120.234 65.561 1.00 51.79 N ATOM 0 H GLN A 21 44.266 122.739 63.053 1.00 51.13 H new ATOM 0 HA GLN A 21 43.004 124.931 64.726 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.719 121.980 65.237 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.276 123.085 66.522 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.077 123.521 65.390 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.520 122.416 64.103 1.00 52.27 H new ATOM 0 HE21 GLN A 21 41.778 120.075 64.663 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.992 119.442 66.113 1.00 51.79 H new ATOM 280 N SER A 22 45.873 124.916 64.161 1.00 52.26 N ATOM 281 CA SER A 22 47.252 125.339 64.555 1.00 52.76 C ATOM 282 C SER A 22 47.796 126.406 63.599 1.00 51.68 C ATOM 283 O SER A 22 47.521 126.390 62.414 1.00 52.15 O ATOM 284 CB SER A 22 48.099 124.068 64.478 1.00 53.63 C ATOM 285 OG SER A 22 48.468 123.820 63.126 1.00 55.19 O ATOM 0 H SER A 22 45.658 125.004 63.168 1.00 52.26 H new ATOM 0 HA SER A 22 47.266 125.783 65.551 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.991 124.176 65.095 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.538 123.221 64.874 1.00 53.63 H new ATOM 0 HG SER A 22 48.017 123.010 62.807 1.00 55.19 H new ATOM 291 N THR A 23 48.585 127.318 64.108 1.00 0.00 N ATOM 292 CA THR A 23 49.179 128.380 63.237 1.00 0.00 C ATOM 293 C THR A 23 50.711 128.271 63.292 1.00 0.00 C ATOM 294 O THR A 23 51.342 128.825 64.172 1.00 0.00 O ATOM 295 CB THR A 23 48.692 129.719 63.813 1.00 0.00 C ATOM 296 OG1 THR A 23 49.292 130.785 63.090 1.00 0.00 O ATOM 297 CG2 THR A 23 49.065 129.840 65.296 1.00 0.00 C ATOM 0 H THR A 23 48.845 127.374 65.093 1.00 0.00 H new ATOM 0 HA THR A 23 48.881 128.285 62.193 1.00 0.00 H new ATOM 0 HB THR A 23 47.607 129.766 63.721 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.983 131.641 63.453 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.711 130.795 65.684 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.602 129.027 65.855 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.148 129.784 65.405 1.00 0.00 H new ATOM 305 N PRO A 24 51.257 127.530 62.353 1.00 49.88 N ATOM 306 CA PRO A 24 52.737 127.342 62.350 1.00 51.02 C ATOM 307 C PRO A 24 53.472 128.658 62.065 1.00 51.50 C ATOM 308 O PRO A 24 54.629 128.811 62.410 1.00 51.57 O ATOM 309 CB PRO A 24 52.979 126.345 61.221 1.00 51.23 C ATOM 310 CG PRO A 24 51.816 126.513 60.306 1.00 51.05 C ATOM 311 CD PRO A 24 50.647 126.909 61.161 1.00 49.44 C ATOM 0 HA PRO A 24 53.107 126.997 63.315 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.918 126.550 60.708 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.039 125.325 61.601 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.022 127.276 59.555 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.608 125.586 59.771 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.992 127.608 60.640 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.041 126.044 61.430 1.00 49.44 H new ATOM 319 N ASP A 25 52.820 129.598 61.430 1.00 0.00 N ATOM 320 CA ASP A 25 53.496 130.895 61.112 1.00 0.00 C ATOM 321 C ASP A 25 53.847 131.658 62.396 1.00 0.00 C ATOM 322 O ASP A 25 54.734 132.492 62.400 1.00 0.00 O ATOM 323 CB ASP A 25 52.502 131.683 60.258 1.00 0.00 C ATOM 324 CG ASP A 25 53.193 132.917 59.676 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.493 133.820 60.440 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.412 132.938 58.476 1.00 0.00 O ATOM 0 H ASP A 25 51.852 129.525 61.118 1.00 0.00 H new ATOM 0 HA ASP A 25 54.436 130.738 60.583 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.119 131.055 59.454 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.646 131.984 60.862 1.00 0.00 H new ATOM 331 N GLU A 26 53.161 131.387 63.479 1.00 0.00 N ATOM 332 CA GLU A 26 53.463 132.109 64.756 1.00 0.00 C ATOM 333 C GLU A 26 54.208 131.191 65.735 1.00 0.00 C ATOM 334 O GLU A 26 54.171 131.393 66.935 1.00 0.00 O ATOM 335 CB GLU A 26 52.096 132.496 65.319 1.00 0.00 C ATOM 336 CG GLU A 26 52.268 133.589 66.380 1.00 0.00 C ATOM 337 CD GLU A 26 50.902 133.988 66.954 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.900 133.727 66.306 1.00 0.00 O ATOM 339 OE2 GLU A 26 50.882 134.551 68.036 1.00 0.00 O ATOM 0 H GLU A 26 52.408 130.701 63.535 1.00 0.00 H new ATOM 0 HA GLU A 26 54.104 132.976 64.595 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.449 132.852 64.517 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.611 131.623 65.757 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.916 133.231 67.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 52.755 134.460 65.940 1.00 0.00 H new ATOM 346 N GLY A 27 54.879 130.183 65.234 1.00 0.00 N ATOM 347 CA GLY A 27 55.625 129.248 66.131 1.00 0.00 C ATOM 348 C GLY A 27 54.632 128.447 66.979 1.00 0.00 C ATOM 349 O GLY A 27 54.933 128.038 68.084 1.00 0.00 O ATOM 0 H GLY A 27 54.942 129.967 64.239 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.240 128.572 65.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.300 129.809 66.777 1.00 0.00 H new ATOM 353 N ARG A 28 53.450 128.228 66.465 1.00 0.00 N ATOM 354 CA ARG A 28 52.422 127.459 67.226 1.00 0.00 C ATOM 355 C ARG A 28 51.982 126.226 66.429 1.00 0.00 C ATOM 356 O ARG A 28 51.084 126.297 65.608 1.00 0.00 O ATOM 357 CB ARG A 28 51.262 128.435 67.409 1.00 0.00 C ATOM 358 CG ARG A 28 51.397 129.143 68.758 1.00 0.00 C ATOM 359 CD ARG A 28 50.235 130.121 68.941 1.00 0.00 C ATOM 360 NE ARG A 28 50.592 130.921 70.144 1.00 0.00 N ATOM 361 CZ ARG A 28 50.340 132.202 70.174 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.118 132.631 70.008 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.309 133.053 70.371 1.00 0.00 N ATOM 0 H ARG A 28 53.151 128.551 65.545 1.00 0.00 H new ATOM 0 HA ARG A 28 52.798 127.092 68.181 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.258 129.167 66.601 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.313 127.901 67.360 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.401 128.411 69.566 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.346 129.677 68.807 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.113 130.758 68.065 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.293 129.592 69.084 1.00 0.00 H new ATOM 0 HE ARG A 28 51.033 130.469 70.945 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.360 131.966 69.855 1.00 0.00 H new ATOM 0 HH12 ARG A 28 48.921 133.632 70.031 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.263 132.718 70.502 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.112 134.054 70.394 1.00 0.00 H new ATOM 377 N TYR A 29 52.599 125.097 66.677 1.00 46.07 N ATOM 378 CA TYR A 29 52.218 123.847 65.949 1.00 43.41 C ATOM 379 C TYR A 29 51.404 122.944 66.883 1.00 41.37 C ATOM 380 O TYR A 29 51.757 122.754 68.033 1.00 39.95 O ATOM 381 CB TYR A 29 53.539 123.168 65.573 1.00 43.56 C ATOM 382 CG TYR A 29 54.400 124.104 64.754 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.194 125.063 65.394 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.411 124.006 63.357 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.998 125.925 64.637 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.214 124.870 62.602 1.00 42.98 C ATOM 387 CZ TYR A 29 56.007 125.827 63.241 1.00 43.35 C ATOM 388 OH TYR A 29 56.800 126.677 62.496 1.00 43.13 O ATOM 0 H TYR A 29 53.353 124.987 67.355 1.00 46.07 H new ATOM 0 HA TYR A 29 51.611 124.051 65.067 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.072 122.870 66.476 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.339 122.259 65.006 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.187 125.138 66.471 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.801 123.265 62.862 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.611 126.665 65.131 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.220 124.797 61.525 1.00 42.98 H new ATOM 0 HH TYR A 29 56.309 127.505 62.311 1.00 43.13 H new ATOM 398 N ALA A 30 50.313 122.399 66.404 1.00 0.00 N ATOM 399 CA ALA A 30 49.475 121.522 67.278 1.00 0.00 C ATOM 400 C ALA A 30 49.417 120.089 66.736 1.00 0.00 C ATOM 401 O ALA A 30 48.969 119.854 65.630 1.00 0.00 O ATOM 402 CB ALA A 30 48.086 122.159 67.266 1.00 0.00 C ATOM 0 H ALA A 30 49.968 122.522 65.452 1.00 0.00 H new ATOM 0 HA ALA A 30 49.886 121.449 68.285 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.411 121.571 67.887 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.148 123.174 67.658 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.707 122.187 66.244 1.00 0.00 H new ATOM 408 N PHE A 31 49.855 119.131 67.515 1.00 36.58 N ATOM 409 CA PHE A 31 49.814 117.708 67.059 1.00 36.29 C ATOM 410 C PHE A 31 48.877 116.899 67.962 1.00 35.25 C ATOM 411 O PHE A 31 48.954 116.985 69.174 1.00 34.09 O ATOM 412 CB PHE A 31 51.245 117.188 67.200 1.00 36.39 C ATOM 413 CG PHE A 31 52.145 117.866 66.196 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.747 119.090 66.511 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.382 117.269 64.952 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.586 119.716 65.583 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.221 117.896 64.023 1.00 37.25 C ATOM 418 CZ PHE A 31 53.823 119.119 64.339 1.00 36.45 C ATOM 0 H PHE A 31 50.240 119.274 68.449 1.00 36.58 H new ATOM 0 HA PHE A 31 49.449 117.621 66.036 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.610 117.374 68.210 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.265 116.109 67.047 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.564 119.551 67.470 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.918 116.325 64.709 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.051 120.660 65.826 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.403 117.436 63.063 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.471 119.603 63.623 1.00 36.45 H new ATOM 428 N ALA A 32 48.011 116.098 67.392 1.00 34.06 N ATOM 429 CA ALA A 32 47.090 115.261 68.221 1.00 32.35 C ATOM 430 C ALA A 32 47.432 113.787 67.999 1.00 31.25 C ATOM 431 O ALA A 32 47.598 113.358 66.874 1.00 31.96 O ATOM 432 CB ALA A 32 45.687 115.573 67.699 1.00 32.65 C ATOM 0 H ALA A 32 47.902 115.988 66.384 1.00 34.06 H new ATOM 0 HA ALA A 32 47.170 115.466 69.289 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.953 114.995 68.260 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.481 116.636 67.821 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.625 115.311 66.643 1.00 32.65 H new ATOM 438 N TYR A 33 47.560 113.011 69.049 1.00 29.03 N ATOM 439 CA TYR A 33 47.918 111.570 68.853 1.00 27.15 C ATOM 440 C TYR A 33 46.940 110.638 69.578 1.00 26.72 C ATOM 441 O TYR A 33 46.445 110.949 70.645 1.00 28.24 O ATOM 442 CB TYR A 33 49.349 111.425 69.402 1.00 26.09 C ATOM 443 CG TYR A 33 49.369 111.558 70.911 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.095 110.442 71.712 1.00 25.37 C ATOM 445 CD2 TYR A 33 49.670 112.787 71.506 1.00 24.81 C ATOM 446 CE1 TYR A 33 49.122 110.556 73.106 1.00 25.85 C ATOM 447 CE2 TYR A 33 49.696 112.902 72.900 1.00 25.46 C ATOM 448 CZ TYR A 33 49.422 111.786 73.701 1.00 27.60 C ATOM 449 OH TYR A 33 49.450 111.899 75.076 1.00 28.81 O ATOM 0 H TYR A 33 47.435 113.306 70.017 1.00 29.03 H new ATOM 0 HA TYR A 33 47.860 111.285 67.802 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.756 110.456 69.114 1.00 26.09 H new ATOM 0 HB3 TYR A 33 49.991 112.186 68.958 1.00 26.09 H new ATOM 0 HD1 TYR A 33 48.863 109.492 71.253 1.00 25.37 H new ATOM 0 HD2 TYR A 33 49.882 113.648 70.889 1.00 24.81 H new ATOM 0 HE1 TYR A 33 48.911 109.695 73.723 1.00 25.85 H new ATOM 0 HE2 TYR A 33 49.927 113.852 73.359 1.00 25.46 H new ATOM 0 HH TYR A 33 48.693 112.446 75.375 1.00 28.81 H new ATOM 459 N SER A 34 46.681 109.490 69.007 1.00 0.00 N ATOM 460 CA SER A 34 45.758 108.514 69.655 1.00 0.00 C ATOM 461 C SER A 34 46.585 107.382 70.267 1.00 0.00 C ATOM 462 O SER A 34 47.491 106.868 69.649 1.00 0.00 O ATOM 463 CB SER A 34 44.871 107.990 68.527 1.00 0.00 C ATOM 464 OG SER A 34 43.994 109.024 68.100 1.00 0.00 O ATOM 0 H SER A 34 47.072 109.186 68.115 1.00 0.00 H new ATOM 0 HA SER A 34 45.161 108.956 70.452 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.486 107.651 67.693 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.297 107.129 68.870 1.00 0.00 H new ATOM 0 HG SER A 34 43.425 108.691 67.375 1.00 0.00 H new ATOM 470 N ILE A 35 46.286 107.007 71.480 1.00 0.00 N ATOM 471 CA ILE A 35 47.063 105.923 72.161 1.00 0.00 C ATOM 472 C ILE A 35 46.274 104.608 72.239 1.00 0.00 C ATOM 473 O ILE A 35 45.100 104.582 72.562 1.00 0.00 O ATOM 474 CB ILE A 35 47.316 106.472 73.574 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.220 105.500 74.340 1.00 0.00 C ATOM 476 CG2 ILE A 35 45.992 106.646 74.329 1.00 0.00 C ATOM 477 CD1 ILE A 35 48.632 106.128 75.672 1.00 0.00 C ATOM 0 H ILE A 35 45.530 107.407 72.037 1.00 0.00 H new ATOM 0 HA ILE A 35 47.978 105.686 71.618 1.00 0.00 H new ATOM 0 HB ILE A 35 47.801 107.445 73.494 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.696 104.561 74.516 1.00 0.00 H new ATOM 0 HG13 ILE A 35 49.104 105.266 73.747 1.00 0.00 H new ATOM 0 HG21 ILE A 35 46.191 107.036 75.327 1.00 0.00 H new ATOM 0 HG22 ILE A 35 45.353 107.344 73.788 1.00 0.00 H new ATOM 0 HG23 ILE A 35 45.489 105.682 74.409 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.275 105.437 76.217 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.173 107.056 75.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 47.742 106.340 76.265 1.00 0.00 H new ATOM 489 N ARG A 36 46.940 103.519 71.941 1.00 25.30 N ATOM 490 CA ARG A 36 46.282 102.181 71.982 1.00 25.64 C ATOM 491 C ARG A 36 47.069 101.240 72.904 1.00 23.79 C ATOM 492 O ARG A 36 48.088 100.692 72.533 1.00 25.11 O ATOM 493 CB ARG A 36 46.322 101.677 70.538 1.00 28.66 C ATOM 494 CG ARG A 36 45.475 100.410 70.414 1.00 34.24 C ATOM 495 CD ARG A 36 45.516 99.907 68.969 1.00 37.45 C ATOM 496 NE ARG A 36 44.659 98.691 68.960 1.00 40.12 N ATOM 497 CZ ARG A 36 43.370 98.803 68.789 1.00 40.24 C ATOM 498 NH1 ARG A 36 42.891 99.088 67.609 1.00 39.07 N ATOM 499 NH2 ARG A 36 42.559 98.630 69.797 1.00 39.81 N ATOM 0 H ARG A 36 47.923 103.503 71.668 1.00 25.30 H new ATOM 0 HA ARG A 36 45.263 102.228 72.367 1.00 25.64 H new ATOM 0 HB2 ARG A 36 45.946 102.446 69.863 1.00 28.66 H new ATOM 0 HB3 ARG A 36 47.351 101.469 70.243 1.00 28.66 H new ATOM 0 HG2 ARG A 36 45.851 99.641 71.089 1.00 34.24 H new ATOM 0 HG3 ARG A 36 44.446 100.617 70.709 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.139 100.661 68.278 1.00 37.45 H new ATOM 0 HD3 ARG A 36 46.535 99.674 68.661 1.00 37.45 H new ATOM 0 HE ARG A 36 45.079 97.770 69.087 1.00 40.12 H new ATOM 0 HH11 ARG A 36 43.524 99.223 66.821 1.00 39.07 H new ATOM 0 HH12 ARG A 36 41.884 99.176 67.475 1.00 39.07 H new ATOM 0 HH21 ARG A 36 42.932 98.407 70.720 1.00 39.81 H new ATOM 0 HH22 ARG A 36 41.552 98.718 69.662 1.00 39.81 H new ATOM 513 N ILE A 37 46.589 101.060 74.104 1.00 20.73 N ATOM 514 CA ILE A 37 47.276 100.167 75.088 1.00 18.17 C ATOM 515 C ILE A 37 46.743 98.732 74.982 1.00 17.71 C ATOM 516 O ILE A 37 45.580 98.479 75.227 1.00 15.34 O ATOM 517 CB ILE A 37 46.927 100.761 76.460 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.429 102.208 76.537 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.597 99.943 77.569 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.854 102.883 77.784 1.00 16.07 C ATOM 0 H ILE A 37 45.737 101.500 74.452 1.00 20.73 H new ATOM 0 HA ILE A 37 48.351 100.116 74.915 1.00 18.17 H new ATOM 0 HB ILE A 37 45.845 100.736 76.591 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.518 102.225 76.571 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.130 102.756 75.643 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.345 100.371 78.539 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.245 98.912 77.524 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.678 99.963 77.434 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.211 103.911 77.838 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.765 102.879 77.731 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.175 102.340 78.673 1.00 16.07 H new ATOM 532 N GLN A 38 47.593 97.788 74.650 1.00 0.00 N ATOM 533 CA GLN A 38 47.143 96.365 74.564 1.00 0.00 C ATOM 534 C GLN A 38 47.901 95.524 75.602 1.00 0.00 C ATOM 535 O GLN A 38 49.084 95.709 75.829 1.00 0.00 O ATOM 536 CB GLN A 38 47.434 95.909 73.123 1.00 0.00 C ATOM 537 CG GLN A 38 48.948 95.848 72.864 1.00 0.00 C ATOM 538 CD GLN A 38 49.298 96.652 71.608 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.942 97.808 71.494 1.00 0.00 O ATOM 540 NE2 GLN A 38 49.982 96.083 70.654 1.00 0.00 N ATOM 0 H GLN A 38 48.578 97.944 74.435 1.00 0.00 H new ATOM 0 HA GLN A 38 46.082 96.248 74.783 1.00 0.00 H new ATOM 0 HB2 GLN A 38 46.991 94.928 72.951 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.967 96.597 72.418 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.488 96.246 73.723 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.263 94.812 72.742 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.281 95.112 70.750 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.218 96.609 69.812 1.00 0.00 H new ATOM 549 N ASN A 39 47.211 94.616 76.246 1.00 15.86 N ATOM 550 CA ASN A 39 47.867 93.772 77.291 1.00 17.88 C ATOM 551 C ASN A 39 48.480 92.515 76.670 1.00 18.37 C ATOM 552 O ASN A 39 47.781 91.675 76.133 1.00 18.69 O ATOM 553 CB ASN A 39 46.756 93.406 78.274 1.00 19.10 C ATOM 554 CG ASN A 39 47.361 92.694 79.484 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.295 91.926 79.348 1.00 20.99 O ATOM 556 ND2 ASN A 39 46.870 92.917 80.672 1.00 19.13 N ATOM 0 H ASN A 39 46.221 94.423 76.093 1.00 15.86 H new ATOM 0 HA ASN A 39 48.683 94.301 77.783 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.228 94.304 78.594 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.023 92.762 77.788 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.269 92.448 81.485 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.087 93.560 80.788 1.00 19.13 H new ATOM 563 N ALA A 40 49.777 92.372 76.757 1.00 0.00 N ATOM 564 CA ALA A 40 50.445 91.159 76.195 1.00 0.00 C ATOM 565 C ALA A 40 51.055 90.306 77.320 1.00 0.00 C ATOM 566 O ALA A 40 51.687 89.298 77.060 1.00 0.00 O ATOM 567 CB ALA A 40 51.538 91.695 75.269 1.00 0.00 C ATOM 0 H ALA A 40 50.405 93.046 77.195 1.00 0.00 H new ATOM 0 HA ALA A 40 49.743 90.517 75.664 1.00 0.00 H new ATOM 0 HB1 ALA A 40 52.074 90.860 74.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.085 92.302 74.485 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.235 92.305 75.844 1.00 0.00 H new ATOM 573 N GLY A 41 50.865 90.688 78.565 1.00 27.60 N ATOM 574 CA GLY A 41 51.428 89.884 79.691 1.00 28.62 C ATOM 575 C GLY A 41 50.490 88.711 79.984 1.00 29.10 C ATOM 576 O GLY A 41 49.521 88.497 79.281 1.00 28.18 O ATOM 0 H GLY A 41 50.345 91.520 78.844 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.421 89.516 79.431 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.541 90.507 80.579 1.00 28.62 H new ATOM 580 N ALA A 42 50.769 87.950 81.013 1.00 0.00 N ATOM 581 CA ALA A 42 49.890 86.789 81.345 1.00 0.00 C ATOM 582 C ALA A 42 48.973 87.137 82.518 1.00 0.00 C ATOM 583 O ALA A 42 47.866 86.646 82.626 1.00 0.00 O ATOM 584 CB ALA A 42 50.849 85.662 81.728 1.00 0.00 C ATOM 0 H ALA A 42 51.566 88.083 81.636 1.00 0.00 H new ATOM 0 HA ALA A 42 49.245 86.509 80.512 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.278 84.770 81.986 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.505 85.441 80.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.449 85.970 82.585 1.00 0.00 H new ATOM 590 N VAL A 43 49.438 87.984 83.395 1.00 0.00 N ATOM 591 CA VAL A 43 48.618 88.386 84.578 1.00 0.00 C ATOM 592 C VAL A 43 48.077 89.810 84.372 1.00 0.00 C ATOM 593 O VAL A 43 48.769 90.662 83.849 1.00 0.00 O ATOM 594 CB VAL A 43 49.590 88.319 85.763 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.898 88.773 87.048 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.078 86.879 85.936 1.00 0.00 C ATOM 0 H VAL A 43 50.359 88.420 83.344 1.00 0.00 H new ATOM 0 HA VAL A 43 47.751 87.745 84.738 1.00 0.00 H new ATOM 0 HB VAL A 43 50.434 88.979 85.564 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.602 88.719 87.879 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.552 89.800 86.932 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.046 88.124 87.251 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.769 86.828 86.777 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.226 86.226 86.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.587 86.556 85.028 1.00 0.00 H new ATOM 606 N PRO A 44 46.840 90.020 84.780 1.00 21.08 N ATOM 607 CA PRO A 44 46.235 91.381 84.598 1.00 21.01 C ATOM 608 C PRO A 44 47.130 92.489 85.170 1.00 21.95 C ATOM 609 O PRO A 44 47.750 92.337 86.211 1.00 21.40 O ATOM 610 CB PRO A 44 44.907 91.302 85.350 1.00 20.53 C ATOM 611 CG PRO A 44 45.111 90.214 86.341 1.00 18.90 C ATOM 612 CD PRO A 44 45.973 89.199 85.648 1.00 19.89 C ATOM 0 HA PRO A 44 46.110 91.634 83.545 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.670 92.247 85.839 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.081 91.076 84.676 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.594 90.590 87.243 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.160 89.778 86.647 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.556 88.614 86.360 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.377 88.494 85.069 1.00 19.89 H new ATOM 620 N ALA A 45 47.196 93.598 84.481 1.00 20.91 N ATOM 621 CA ALA A 45 48.042 94.736 84.942 1.00 19.47 C ATOM 622 C ALA A 45 47.330 96.074 84.713 1.00 19.21 C ATOM 623 O ALA A 45 46.519 96.221 83.815 1.00 19.53 O ATOM 624 CB ALA A 45 49.299 94.656 84.077 1.00 18.37 C ATOM 0 H ALA A 45 46.694 93.764 83.609 1.00 20.91 H new ATOM 0 HA ALA A 45 48.260 94.676 86.008 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.981 95.461 84.351 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.789 93.696 84.236 1.00 18.37 H new ATOM 0 HB3 ALA A 45 49.025 94.754 83.027 1.00 18.37 H new ATOM 630 N ARG A 46 47.635 97.048 85.530 1.00 0.00 N ATOM 631 CA ARG A 46 46.995 98.389 85.387 1.00 0.00 C ATOM 632 C ARG A 46 48.073 99.474 85.326 1.00 0.00 C ATOM 633 O ARG A 46 49.198 99.262 85.740 1.00 0.00 O ATOM 634 CB ARG A 46 46.122 98.559 86.636 1.00 0.00 C ATOM 635 CG ARG A 46 46.984 98.455 87.904 1.00 0.00 C ATOM 636 CD ARG A 46 46.579 99.549 88.896 1.00 0.00 C ATOM 637 NE ARG A 46 45.202 99.186 89.330 1.00 0.00 N ATOM 638 CZ ARG A 46 44.973 98.861 90.573 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.386 99.639 91.536 1.00 0.00 N ATOM 640 NH2 ARG A 46 44.333 97.759 90.853 1.00 0.00 N ATOM 0 H ARG A 46 48.305 96.971 86.295 1.00 0.00 H new ATOM 0 HA ARG A 46 46.404 98.471 84.475 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.619 99.525 86.608 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.345 97.795 86.652 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.859 97.473 88.360 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.039 98.556 87.647 1.00 0.00 H new ATOM 0 HD2 ARG A 46 47.263 99.586 89.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.599 100.533 88.428 1.00 0.00 H new ATOM 0 HE ARG A 46 44.437 99.191 88.655 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.887 100.500 91.317 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.208 99.386 92.508 1.00 0.00 H new ATOM 0 HH21 ARG A 46 44.011 97.151 90.100 1.00 0.00 H new ATOM 0 HH22 ARG A 46 44.154 97.506 91.825 1.00 0.00 H new ATOM 654 N LEU A 47 47.740 100.635 84.821 1.00 0.00 N ATOM 655 CA LEU A 47 48.749 101.733 84.742 1.00 0.00 C ATOM 656 C LEU A 47 48.577 102.670 85.939 1.00 0.00 C ATOM 657 O LEU A 47 47.539 103.283 86.111 1.00 0.00 O ATOM 658 CB LEU A 47 48.443 102.465 83.434 1.00 0.00 C ATOM 659 CG LEU A 47 49.603 103.399 83.084 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.535 103.764 81.600 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.505 104.674 83.925 1.00 0.00 C ATOM 0 H LEU A 47 46.815 100.869 84.461 1.00 0.00 H new ATOM 0 HA LEU A 47 49.774 101.364 84.762 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.288 101.745 82.631 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.520 103.036 83.533 1.00 0.00 H new ATOM 0 HG LEU A 47 50.547 102.897 83.293 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.362 104.429 81.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.605 102.858 80.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.590 104.265 81.392 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.332 105.339 83.675 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.560 105.176 83.717 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.553 104.417 84.983 1.00 0.00 H new ATOM 673 N VAL A 48 49.583 102.777 86.773 1.00 0.00 N ATOM 674 CA VAL A 48 49.474 103.668 87.967 1.00 0.00 C ATOM 675 C VAL A 48 50.206 104.990 87.722 1.00 0.00 C ATOM 676 O VAL A 48 49.871 106.000 88.310 1.00 0.00 O ATOM 677 CB VAL A 48 50.126 102.890 89.115 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.061 103.716 90.404 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.379 101.573 89.328 1.00 0.00 C ATOM 0 H VAL A 48 50.472 102.286 86.678 1.00 0.00 H new ATOM 0 HA VAL A 48 48.438 103.923 88.190 1.00 0.00 H new ATOM 0 HB VAL A 48 51.167 102.688 88.863 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.526 103.159 91.217 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.591 104.657 90.260 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.020 103.920 90.653 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.843 101.020 90.145 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.338 101.781 89.576 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.423 100.978 88.416 1.00 0.00 H new ATOM 689 N ALA A 49 51.210 104.994 86.876 1.00 0.00 N ATOM 690 CA ALA A 49 51.952 106.268 86.630 1.00 0.00 C ATOM 691 C ALA A 49 52.318 106.430 85.150 1.00 0.00 C ATOM 692 O ALA A 49 52.298 105.490 84.380 1.00 0.00 O ATOM 693 CB ALA A 49 53.212 106.166 87.489 1.00 0.00 C ATOM 0 H ALA A 49 51.542 104.183 86.354 1.00 0.00 H new ATOM 0 HA ALA A 49 51.346 107.137 86.885 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.812 107.067 87.363 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.931 106.061 88.537 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.793 105.297 87.181 1.00 0.00 H new ATOM 699 N ARG A 50 52.648 107.632 84.764 1.00 18.13 N ATOM 700 CA ARG A 50 53.022 107.916 83.348 1.00 20.89 C ATOM 701 C ARG A 50 54.178 108.923 83.291 1.00 22.46 C ATOM 702 O ARG A 50 54.216 109.887 84.035 1.00 23.35 O ATOM 703 CB ARG A 50 51.750 108.507 82.721 1.00 21.09 C ATOM 704 CG ARG A 50 51.372 109.819 83.419 1.00 22.20 C ATOM 705 CD ARG A 50 49.934 110.198 83.054 1.00 26.75 C ATOM 706 NE ARG A 50 50.066 111.177 81.939 1.00 26.68 N ATOM 707 CZ ARG A 50 49.349 111.035 80.858 1.00 28.58 C ATOM 708 NH1 ARG A 50 49.482 109.965 80.123 1.00 29.05 N ATOM 709 NH2 ARG A 50 48.499 111.963 80.513 1.00 27.75 N ATOM 0 H ARG A 50 52.675 108.444 85.381 1.00 18.13 H new ATOM 0 HA ARG A 50 53.362 107.025 82.820 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.910 108.686 81.658 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.930 107.794 82.804 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.467 109.709 84.499 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.056 110.613 83.118 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.361 109.323 82.746 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.413 110.637 83.905 1.00 26.75 H new ATOM 0 HE ARG A 50 50.717 111.958 82.020 1.00 26.68 H new ATOM 0 HH11 ARG A 50 50.146 109.240 80.394 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.922 109.854 79.278 1.00 29.05 H new ATOM 0 HH21 ARG A 50 48.395 112.799 81.088 1.00 27.75 H new ATOM 0 HH22 ARG A 50 47.938 111.852 79.668 1.00 27.75 H new ATOM 723 N HIS A 51 55.118 108.694 82.411 1.00 22.89 N ATOM 724 CA HIS A 51 56.285 109.617 82.285 1.00 23.99 C ATOM 725 C HIS A 51 56.681 109.752 80.810 1.00 24.58 C ATOM 726 O HIS A 51 57.130 108.809 80.187 1.00 24.14 O ATOM 727 CB HIS A 51 57.405 108.960 83.098 1.00 22.92 C ATOM 728 CG HIS A 51 58.644 109.813 83.043 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.910 109.294 83.270 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.827 111.149 82.791 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.789 110.305 83.149 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.182 111.458 82.858 1.00 25.48 N ATOM 0 H HIS A 51 55.127 107.901 81.770 1.00 22.89 H new ATOM 0 HA HIS A 51 56.067 110.621 82.648 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.088 108.830 84.133 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.619 107.967 82.703 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.134 108.323 83.489 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.039 111.854 82.573 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.856 110.197 83.272 1.00 26.28 H new ATOM 740 N TRP A 52 56.507 110.923 80.252 1.00 24.73 N ATOM 741 CA TRP A 52 56.860 111.145 78.819 1.00 24.73 C ATOM 742 C TRP A 52 58.207 111.863 78.689 1.00 25.24 C ATOM 743 O TRP A 52 58.466 112.842 79.363 1.00 25.25 O ATOM 744 CB TRP A 52 55.748 112.048 78.284 1.00 22.37 C ATOM 745 CG TRP A 52 54.507 111.250 78.048 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.382 111.325 78.795 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.244 110.266 77.008 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.444 110.450 78.278 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.929 109.774 77.175 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.012 109.758 75.944 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.392 108.813 76.320 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.475 108.789 75.080 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.168 108.318 75.267 1.00 18.33 C ATOM 0 H TRP A 52 56.132 111.741 80.733 1.00 24.73 H new ATOM 0 HA TRP A 52 56.947 110.204 78.276 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.545 112.848 78.995 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.068 112.521 77.355 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.240 111.963 79.654 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.509 110.320 78.664 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.020 110.115 75.791 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.385 108.453 76.469 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.073 108.405 74.267 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.761 107.574 74.599 1.00 18.33 H new ATOM 764 N GLN A 53 59.059 111.383 77.821 1.00 0.00 N ATOM 765 CA GLN A 53 60.392 112.028 77.627 1.00 0.00 C ATOM 766 C GLN A 53 60.488 112.576 76.198 1.00 0.00 C ATOM 767 O GLN A 53 61.121 111.988 75.340 1.00 0.00 O ATOM 768 CB GLN A 53 61.408 110.903 77.843 1.00 0.00 C ATOM 769 CG GLN A 53 62.828 111.452 77.679 1.00 0.00 C ATOM 770 CD GLN A 53 63.848 110.329 77.894 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.513 109.266 78.383 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.091 110.520 77.546 1.00 0.00 N ATOM 0 H GLN A 53 58.887 110.566 77.234 1.00 0.00 H new ATOM 0 HA GLN A 53 60.563 112.862 78.308 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.286 110.475 78.838 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.233 110.100 77.127 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.949 111.880 76.684 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.002 112.255 78.395 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.375 111.410 77.136 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.779 109.780 77.684 1.00 0.00 H new ATOM 781 N ILE A 54 59.848 113.687 75.936 1.00 28.56 N ATOM 782 CA ILE A 54 59.879 114.274 74.558 1.00 31.69 C ATOM 783 C ILE A 54 61.114 115.164 74.345 1.00 31.35 C ATOM 784 O ILE A 54 61.401 116.057 75.119 1.00 31.20 O ATOM 785 CB ILE A 54 58.558 115.071 74.412 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.562 116.329 75.295 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.363 114.188 74.796 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.324 117.173 74.982 1.00 36.11 C ATOM 0 H ILE A 54 59.303 114.216 76.617 1.00 28.56 H new ATOM 0 HA ILE A 54 59.956 113.497 73.797 1.00 31.69 H new ATOM 0 HB ILE A 54 58.471 115.379 73.370 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.567 116.048 76.348 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.467 116.910 75.116 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.440 114.758 74.690 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.329 113.317 74.141 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.470 113.861 75.830 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.325 118.066 75.607 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.339 117.465 73.932 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.426 116.590 75.184 1.00 36.11 H new ATOM 800 N THR A 55 61.833 114.928 73.277 1.00 32.39 N ATOM 801 CA THR A 55 63.032 115.761 72.960 1.00 32.79 C ATOM 802 C THR A 55 62.820 116.413 71.593 1.00 33.98 C ATOM 803 O THR A 55 62.419 115.770 70.641 1.00 33.62 O ATOM 804 CB THR A 55 64.231 114.809 72.960 1.00 32.44 C ATOM 805 OG1 THR A 55 64.352 114.204 74.240 1.00 30.14 O ATOM 806 CG2 THR A 55 65.506 115.589 72.639 1.00 31.51 C ATOM 0 H THR A 55 61.638 114.186 72.605 1.00 32.39 H new ATOM 0 HA THR A 55 63.200 116.559 73.683 1.00 32.79 H new ATOM 0 HB THR A 55 64.082 114.037 72.205 1.00 32.44 H new ATOM 0 HG1 THR A 55 63.829 114.714 74.894 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.358 114.909 72.640 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.412 116.052 71.657 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.658 116.363 73.392 1.00 31.51 H new ATOM 814 N ASP A 56 63.058 117.699 71.505 1.00 36.19 N ATOM 815 CA ASP A 56 62.838 118.417 70.216 1.00 38.66 C ATOM 816 C ASP A 56 64.090 118.381 69.333 1.00 38.50 C ATOM 817 O ASP A 56 65.156 117.970 69.748 1.00 37.75 O ATOM 818 CB ASP A 56 62.489 119.852 70.614 1.00 41.21 C ATOM 819 CG ASP A 56 61.889 120.587 69.414 1.00 42.74 C ATOM 820 OD1 ASP A 56 61.195 119.950 68.639 1.00 45.04 O ATOM 821 OD2 ASP A 56 62.134 121.776 69.291 1.00 43.86 O ATOM 0 H ASP A 56 63.395 118.281 72.272 1.00 36.19 H new ATOM 0 HA ASP A 56 62.047 117.952 69.627 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.780 119.848 71.442 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.382 120.371 70.961 1.00 41.21 H new ATOM 826 N GLY A 57 63.946 118.802 68.102 1.00 37.51 N ATOM 827 CA GLY A 57 65.089 118.800 67.138 1.00 38.01 C ATOM 828 C GLY A 57 66.241 119.713 67.599 1.00 39.47 C ATOM 829 O GLY A 57 67.301 119.701 67.001 1.00 38.99 O ATOM 0 H GLY A 57 63.069 119.153 67.718 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.460 117.782 67.019 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.737 119.128 66.160 1.00 38.01 H new ATOM 833 N ASN A 58 66.074 120.483 68.655 1.00 0.00 N ATOM 834 CA ASN A 58 67.199 121.352 69.122 1.00 0.00 C ATOM 835 C ASN A 58 67.910 120.715 70.332 1.00 0.00 C ATOM 836 O ASN A 58 68.783 121.315 70.930 1.00 0.00 O ATOM 837 CB ASN A 58 66.555 122.685 69.503 1.00 0.00 C ATOM 838 CG ASN A 58 65.990 123.357 68.250 1.00 0.00 C ATOM 839 OD1 ASN A 58 64.824 123.692 68.199 1.00 0.00 O ATOM 840 ND2 ASN A 58 66.776 123.570 67.229 1.00 0.00 N ATOM 0 H ASN A 58 65.217 120.544 69.205 1.00 0.00 H new ATOM 0 HA ASN A 58 67.959 121.482 68.351 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.760 122.522 70.231 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.292 123.335 69.976 1.00 0.00 H new ATOM 0 HD21 ASN A 58 66.410 124.018 66.389 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.755 123.289 67.272 1.00 0.00 H new ATOM 847 N GLY A 59 67.556 119.498 70.683 1.00 0.00 N ATOM 848 CA GLY A 59 68.221 118.816 71.833 1.00 0.00 C ATOM 849 C GLY A 59 67.437 119.049 73.129 1.00 0.00 C ATOM 850 O GLY A 59 67.461 118.225 74.025 1.00 0.00 O ATOM 0 H GLY A 59 66.832 118.950 70.218 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.295 117.747 71.634 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.238 119.191 71.945 1.00 0.00 H new ATOM 854 N ARG A 60 66.746 120.157 73.243 1.00 49.10 N ATOM 855 CA ARG A 60 65.966 120.424 74.493 1.00 50.05 C ATOM 856 C ARG A 60 64.865 119.372 74.648 1.00 49.79 C ATOM 857 O ARG A 60 64.252 118.963 73.678 1.00 48.27 O ATOM 858 CB ARG A 60 65.357 121.821 74.305 1.00 52.38 C ATOM 859 CG ARG A 60 66.073 122.834 75.212 1.00 55.08 C ATOM 860 CD ARG A 60 66.959 123.755 74.366 1.00 57.97 C ATOM 861 NE ARG A 60 66.022 124.442 73.433 1.00 60.72 N ATOM 862 CZ ARG A 60 65.349 125.486 73.834 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.904 126.667 73.815 1.00 62.78 N ATOM 864 NH2 ARG A 60 64.121 125.348 74.255 1.00 61.80 N ATOM 0 H ARG A 60 66.688 120.884 72.530 1.00 49.10 H new ATOM 0 HA ARG A 60 66.588 120.378 75.387 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.445 122.128 73.263 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.293 121.798 74.541 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.340 123.424 75.762 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.679 122.309 75.951 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.491 124.473 74.990 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.712 123.186 73.821 1.00 57.97 H new ATOM 0 HE ARG A 60 65.906 124.096 72.480 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.864 126.774 73.487 1.00 62.78 H new ATOM 0 HH12 ARG A 60 65.378 127.483 74.128 1.00 62.78 H new ATOM 0 HH21 ARG A 60 63.688 124.425 74.270 1.00 61.80 H new ATOM 0 HH22 ARG A 60 63.595 126.164 74.568 1.00 61.80 H new ATOM 878 N THR A 61 64.613 118.929 75.855 1.00 0.00 N ATOM 879 CA THR A 61 63.551 117.897 76.060 1.00 0.00 C ATOM 880 C THR A 61 62.665 118.265 77.252 1.00 0.00 C ATOM 881 O THR A 61 63.091 118.948 78.166 1.00 0.00 O ATOM 882 CB THR A 61 64.304 116.586 76.318 1.00 0.00 C ATOM 883 OG1 THR A 61 63.367 115.542 76.545 1.00 0.00 O ATOM 884 CG2 THR A 61 65.210 116.734 77.544 1.00 0.00 C ATOM 0 H THR A 61 65.093 119.235 76.701 1.00 0.00 H new ATOM 0 HA THR A 61 62.889 117.816 75.198 1.00 0.00 H new ATOM 0 HB THR A 61 64.917 116.348 75.449 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.493 115.804 76.188 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.741 115.798 77.719 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.931 117.533 77.369 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.604 116.977 78.417 1.00 0.00 H new ATOM 892 N GLU A 62 61.435 117.820 77.246 1.00 0.00 N ATOM 893 CA GLU A 62 60.512 118.144 78.374 1.00 0.00 C ATOM 894 C GLU A 62 60.006 116.856 79.028 1.00 0.00 C ATOM 895 O GLU A 62 59.415 116.006 78.385 1.00 0.00 O ATOM 896 CB GLU A 62 59.355 118.910 77.730 1.00 0.00 C ATOM 897 CG GLU A 62 58.449 119.484 78.823 1.00 0.00 C ATOM 898 CD GLU A 62 59.218 120.534 79.631 1.00 0.00 C ATOM 899 OE1 GLU A 62 60.062 121.200 79.052 1.00 0.00 O ATOM 900 OE2 GLU A 62 58.947 120.658 80.814 1.00 0.00 O ATOM 0 H GLU A 62 61.030 117.245 76.507 1.00 0.00 H new ATOM 0 HA GLU A 62 61.001 118.726 79.155 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.742 119.714 77.104 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.783 118.247 77.080 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.562 119.933 78.375 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.105 118.685 79.480 1.00 0.00 H new ATOM 907 N GLN A 63 60.245 116.709 80.305 1.00 0.00 N ATOM 908 CA GLN A 63 59.793 115.484 81.027 1.00 0.00 C ATOM 909 C GLN A 63 58.541 115.783 81.855 1.00 0.00 C ATOM 910 O GLN A 63 58.466 116.787 82.540 1.00 0.00 O ATOM 911 CB GLN A 63 60.958 115.135 81.953 1.00 0.00 C ATOM 912 CG GLN A 63 62.140 114.635 81.120 1.00 0.00 C ATOM 913 CD GLN A 63 63.306 114.286 82.047 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.602 113.127 82.261 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.986 115.247 82.611 1.00 0.00 N ATOM 0 H GLN A 63 60.738 117.390 80.882 1.00 0.00 H new ATOM 0 HA GLN A 63 59.539 114.673 80.345 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.252 116.011 82.531 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.653 114.370 82.667 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.846 113.759 80.542 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.445 115.400 80.406 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.738 116.220 82.432 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.765 115.025 83.231 1.00 0.00 H new ATOM 924 N VAL A 64 57.560 114.921 81.794 1.00 37.94 N ATOM 925 CA VAL A 64 56.307 115.150 82.574 1.00 37.05 C ATOM 926 C VAL A 64 55.973 113.910 83.407 1.00 36.89 C ATOM 927 O VAL A 64 55.969 112.798 82.918 1.00 36.32 O ATOM 928 CB VAL A 64 55.220 115.422 81.529 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.881 115.673 82.228 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.599 116.657 80.706 1.00 35.74 C ATOM 0 H VAL A 64 57.572 114.067 81.237 1.00 37.94 H new ATOM 0 HA VAL A 64 56.401 115.982 83.272 1.00 37.05 H new ATOM 0 HB VAL A 64 55.130 114.557 80.873 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.111 115.866 81.481 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.606 114.796 82.814 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.971 116.536 82.888 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.826 116.850 79.963 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.692 117.520 81.366 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.550 116.481 80.203 1.00 35.74 H new ATOM 940 N ASP A 65 55.701 114.109 84.669 1.00 0.00 N ATOM 941 CA ASP A 65 55.371 112.969 85.575 1.00 0.00 C ATOM 942 C ASP A 65 54.032 113.224 86.273 1.00 0.00 C ATOM 943 O ASP A 65 53.832 114.254 86.889 1.00 0.00 O ATOM 944 CB ASP A 65 56.516 112.925 86.597 1.00 0.00 C ATOM 945 CG ASP A 65 56.603 114.258 87.350 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.810 115.271 86.702 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.464 114.240 88.562 1.00 0.00 O ATOM 0 H ASP A 65 55.693 115.025 85.117 1.00 0.00 H new ATOM 0 HA ASP A 65 55.274 112.026 85.037 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.353 112.110 87.302 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.459 112.723 86.089 1.00 0.00 H new ATOM 952 N GLY A 66 53.118 112.291 86.186 1.00 31.82 N ATOM 953 CA GLY A 66 51.792 112.472 86.849 1.00 29.07 C ATOM 954 C GLY A 66 51.226 111.103 87.227 1.00 27.67 C ATOM 955 O GLY A 66 51.608 110.092 86.671 1.00 27.18 O ATOM 0 H GLY A 66 53.233 111.411 85.684 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.899 113.093 87.739 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.105 112.990 86.180 1.00 29.07 H new ATOM 959 N GLU A 67 50.320 111.062 88.172 1.00 0.00 N ATOM 960 CA GLU A 67 49.730 109.755 88.592 1.00 0.00 C ATOM 961 C GLU A 67 48.631 109.327 87.614 1.00 0.00 C ATOM 962 O GLU A 67 48.007 110.145 86.967 1.00 0.00 O ATOM 963 CB GLU A 67 49.142 110.012 89.982 1.00 0.00 C ATOM 964 CG GLU A 67 48.567 108.707 90.544 1.00 0.00 C ATOM 965 CD GLU A 67 47.973 108.951 91.938 1.00 0.00 C ATOM 966 OE1 GLU A 67 48.339 109.936 92.562 1.00 0.00 O ATOM 967 OE2 GLU A 67 47.165 108.140 92.362 1.00 0.00 O ATOM 0 H GLU A 67 49.964 111.878 88.670 1.00 0.00 H new ATOM 0 HA GLU A 67 50.470 108.955 88.604 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.913 110.399 90.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.361 110.770 89.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 47.798 108.321 89.875 1.00 0.00 H new ATOM 0 HG3 GLU A 67 49.349 107.950 90.601 1.00 0.00 H new ATOM 974 N GLY A 68 48.382 108.044 87.518 1.00 22.62 N ATOM 975 CA GLY A 68 47.314 107.526 86.605 1.00 22.36 C ATOM 976 C GLY A 68 47.432 108.128 85.199 1.00 20.38 C ATOM 977 O GLY A 68 48.419 108.740 84.845 1.00 21.93 O ATOM 0 H GLY A 68 48.880 107.323 88.041 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.383 106.440 86.543 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.334 107.760 87.021 1.00 22.36 H new ATOM 981 N VAL A 69 46.408 107.949 84.407 1.00 17.51 N ATOM 982 CA VAL A 69 46.400 108.493 83.014 1.00 15.40 C ATOM 983 C VAL A 69 45.083 109.226 82.759 1.00 17.02 C ATOM 984 O VAL A 69 44.016 108.715 83.016 1.00 17.35 O ATOM 985 CB VAL A 69 46.536 107.281 82.079 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.942 106.695 82.207 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.499 106.208 82.436 1.00 8.21 C ATOM 0 H VAL A 69 45.563 107.441 84.669 1.00 17.51 H new ATOM 0 HA VAL A 69 47.210 109.203 82.849 1.00 15.40 H new ATOM 0 HB VAL A 69 46.364 107.607 81.053 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.040 105.835 81.544 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.678 107.451 81.932 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.113 106.381 83.237 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.610 105.357 81.764 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.653 105.881 83.464 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.496 106.623 82.334 1.00 8.21 H new ATOM 997 N VAL A 70 45.178 110.435 82.265 1.00 17.68 N ATOM 998 CA VAL A 70 43.974 111.294 81.973 1.00 16.81 C ATOM 999 C VAL A 70 42.905 111.180 83.084 1.00 17.08 C ATOM 1000 O VAL A 70 41.718 111.265 82.835 1.00 16.77 O ATOM 1001 CB VAL A 70 43.435 110.861 80.592 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.566 110.886 79.556 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.834 109.455 80.659 1.00 20.55 C ATOM 0 H VAL A 70 46.068 110.882 82.043 1.00 17.68 H new ATOM 0 HA VAL A 70 44.250 112.348 81.952 1.00 16.81 H new ATOM 0 HB VAL A 70 42.654 111.561 80.296 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.177 110.579 78.585 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.970 111.896 79.483 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.356 110.201 79.863 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.461 109.172 79.675 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.600 108.747 80.975 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.013 109.444 81.375 1.00 20.55 H new ATOM 1013 N GLY A 71 43.341 111.038 84.313 1.00 17.30 N ATOM 1014 CA GLY A 71 42.394 110.971 85.472 1.00 16.44 C ATOM 1015 C GLY A 71 41.817 109.562 85.696 1.00 18.03 C ATOM 1016 O GLY A 71 40.820 109.416 86.380 1.00 18.29 O ATOM 0 H GLY A 71 44.326 110.965 84.566 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.911 111.294 86.376 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.575 111.671 85.306 1.00 16.44 H new ATOM 1020 N GLU A 72 42.419 108.530 85.154 1.00 0.00 N ATOM 1021 CA GLU A 72 41.860 107.154 85.387 1.00 0.00 C ATOM 1022 C GLU A 72 42.963 106.095 85.487 1.00 0.00 C ATOM 1023 O GLU A 72 44.019 106.210 84.897 1.00 0.00 O ATOM 1024 CB GLU A 72 40.937 106.861 84.200 1.00 0.00 C ATOM 1025 CG GLU A 72 41.724 106.931 82.896 1.00 0.00 C ATOM 1026 CD GLU A 72 40.863 106.390 81.754 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.610 105.197 81.743 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.471 107.180 80.910 1.00 0.00 O ATOM 0 H GLU A 72 43.256 108.574 84.572 1.00 0.00 H new ATOM 0 HA GLU A 72 41.324 107.118 86.335 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.490 105.873 84.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.119 107.581 84.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.016 107.961 82.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.642 106.350 82.981 1.00 0.00 H new ATOM 1035 N GLN A 73 42.700 105.057 86.238 1.00 13.09 N ATOM 1036 CA GLN A 73 43.686 103.950 86.412 1.00 15.45 C ATOM 1037 C GLN A 73 43.104 102.664 85.804 1.00 15.30 C ATOM 1038 O GLN A 73 42.657 101.786 86.519 1.00 16.40 O ATOM 1039 CB GLN A 73 43.837 103.803 87.929 1.00 18.12 C ATOM 1040 CG GLN A 73 44.594 105.009 88.486 1.00 18.21 C ATOM 1041 CD GLN A 73 44.544 104.981 90.015 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.714 103.942 90.621 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.315 106.088 90.668 1.00 14.04 N ATOM 0 H GLN A 73 41.826 104.928 86.748 1.00 13.09 H new ATOM 0 HA GLN A 73 44.642 104.144 85.926 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.855 103.729 88.397 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.373 102.884 88.164 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.629 104.991 88.145 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.152 105.933 88.114 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.172 106.960 90.159 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.279 106.081 91.687 1.00 14.04 H new ATOM 1052 N PRO A 74 43.104 102.608 84.491 1.00 15.25 N ATOM 1053 CA PRO A 74 42.525 101.408 83.816 1.00 16.63 C ATOM 1054 C PRO A 74 43.201 100.106 84.268 1.00 17.41 C ATOM 1055 O PRO A 74 44.404 100.036 84.444 1.00 17.61 O ATOM 1056 CB PRO A 74 42.785 101.653 82.332 1.00 16.18 C ATOM 1057 CG PRO A 74 43.958 102.569 82.296 1.00 16.38 C ATOM 1058 CD PRO A 74 43.874 103.423 83.530 1.00 13.89 C ATOM 0 HA PRO A 74 41.469 101.285 84.055 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.995 100.720 81.808 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.918 102.102 81.848 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.890 102.004 82.278 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.941 103.185 81.397 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.865 103.661 83.916 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.376 104.370 83.324 1.00 13.89 H new ATOM 1066 N TRP A 75 42.415 99.073 84.432 1.00 0.00 N ATOM 1067 CA TRP A 75 42.958 97.744 84.845 1.00 0.00 C ATOM 1068 C TRP A 75 42.986 96.827 83.619 1.00 0.00 C ATOM 1069 O TRP A 75 42.121 95.989 83.442 1.00 0.00 O ATOM 1070 CB TRP A 75 41.968 97.222 85.888 1.00 0.00 C ATOM 1071 CG TRP A 75 42.631 96.183 86.737 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.551 96.437 87.696 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.439 94.738 86.726 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.940 95.240 88.270 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.281 94.165 87.707 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.625 93.880 85.965 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.315 92.787 87.927 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.656 92.492 86.185 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.500 91.947 87.164 1.00 0.00 C ATOM 0 H TRP A 75 41.404 99.095 84.295 1.00 0.00 H new ATOM 0 HA TRP A 75 43.969 97.795 85.248 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.615 98.043 86.511 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.094 96.798 85.394 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.921 97.414 87.969 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.629 95.161 89.018 1.00 0.00 H new ATOM 0 HE3 TRP A 75 40.973 94.290 85.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.967 92.373 88.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.026 91.841 85.597 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.520 90.880 87.328 1.00 0.00 H new ATOM 1090 N LEU A 76 43.952 97.005 82.756 1.00 18.07 N ATOM 1091 CA LEU A 76 44.019 96.172 81.516 1.00 17.96 C ATOM 1092 C LEU A 76 44.174 94.686 81.843 1.00 19.47 C ATOM 1093 O LEU A 76 45.155 94.264 82.425 1.00 20.57 O ATOM 1094 CB LEU A 76 45.244 96.680 80.752 1.00 16.79 C ATOM 1095 CG LEU A 76 44.965 96.612 79.249 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.893 97.644 78.877 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.252 96.911 78.476 1.00 15.14 C ATOM 0 H LEU A 76 44.699 97.692 82.856 1.00 18.07 H new ATOM 0 HA LEU A 76 43.102 96.260 80.934 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.471 97.705 81.046 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.117 96.077 80.999 1.00 16.79 H new ATOM 0 HG LEU A 76 44.610 95.614 78.992 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.696 97.594 77.806 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.976 97.430 79.425 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.245 98.643 79.135 1.00 13.86 H new ATOM 0 HD21 LEU A 76 46.053 96.862 77.405 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.608 97.908 78.734 1.00 15.14 H new ATOM 0 HD23 LEU A 76 47.013 96.175 78.737 1.00 15.14 H new ATOM 1109 N ARG A 77 43.214 93.891 81.445 1.00 0.00 N ATOM 1110 CA ARG A 77 43.291 92.423 81.695 1.00 0.00 C ATOM 1111 C ARG A 77 44.074 91.762 80.554 1.00 0.00 C ATOM 1112 O ARG A 77 44.191 92.334 79.487 1.00 0.00 O ATOM 1113 CB ARG A 77 41.840 91.942 81.699 1.00 0.00 C ATOM 1114 CG ARG A 77 41.280 92.013 83.121 1.00 0.00 C ATOM 1115 CD ARG A 77 40.138 91.006 83.271 1.00 0.00 C ATOM 1116 NE ARG A 77 39.079 91.483 82.340 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.492 90.643 81.532 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.618 89.793 81.996 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.780 90.654 80.259 1.00 0.00 N ATOM 0 H ARG A 77 42.375 94.200 80.954 1.00 0.00 H new ATOM 0 HA ARG A 77 43.795 92.177 82.630 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.240 92.559 81.030 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.784 90.919 81.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.067 91.797 83.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.921 93.020 83.332 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.464 89.998 83.014 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.774 90.972 84.298 1.00 0.00 H new ATOM 0 HE ARG A 77 38.812 92.467 82.334 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.393 89.785 82.991 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.160 89.137 81.364 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.463 91.319 79.896 1.00 0.00 H new ATOM 0 HH22 ARG A 77 38.322 89.998 79.627 1.00 0.00 H new ATOM 1133 N PRO A 78 44.596 90.581 80.809 1.00 23.86 N ATOM 1134 CA PRO A 78 45.376 89.898 79.731 1.00 24.22 C ATOM 1135 C PRO A 78 44.545 89.774 78.444 1.00 24.36 C ATOM 1136 O PRO A 78 43.440 89.267 78.446 1.00 22.27 O ATOM 1137 CB PRO A 78 45.706 88.528 80.311 1.00 25.39 C ATOM 1138 CG PRO A 78 44.645 88.282 81.330 1.00 27.04 C ATOM 1139 CD PRO A 78 44.249 89.627 81.880 1.00 25.13 C ATOM 0 HA PRO A 78 46.272 90.452 79.451 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.699 87.759 79.539 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.698 88.518 80.762 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.788 87.780 80.882 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.015 87.633 82.124 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.185 89.663 82.114 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.786 89.853 82.802 1.00 25.13 H new ATOM 1147 N GLY A 79 45.091 90.237 77.348 1.00 24.74 N ATOM 1148 CA GLY A 79 44.368 90.159 76.044 1.00 23.79 C ATOM 1149 C GLY A 79 43.487 91.401 75.830 1.00 23.44 C ATOM 1150 O GLY A 79 43.094 91.696 74.717 1.00 22.44 O ATOM 0 H GLY A 79 46.014 90.669 77.301 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.087 90.074 75.229 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.750 89.261 76.019 1.00 23.79 H new ATOM 1154 N GLU A 80 43.177 92.135 76.876 1.00 23.31 N ATOM 1155 CA GLU A 80 42.328 93.357 76.713 1.00 21.90 C ATOM 1156 C GLU A 80 43.204 94.573 76.397 1.00 20.95 C ATOM 1157 O GLU A 80 44.410 94.534 76.549 1.00 19.52 O ATOM 1158 CB GLU A 80 41.611 93.531 78.053 1.00 23.06 C ATOM 1159 CG GLU A 80 40.616 94.692 77.957 1.00 23.88 C ATOM 1160 CD GLU A 80 39.813 94.803 79.259 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.722 93.816 79.972 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.294 95.878 79.518 1.00 29.38 O ATOM 0 H GLU A 80 43.475 91.940 77.832 1.00 23.31 H new ATOM 0 HA GLU A 80 41.620 93.261 75.890 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.089 92.612 78.319 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.337 93.725 78.843 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.149 95.624 77.768 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.941 94.535 77.116 1.00 23.88 H new ATOM 1169 N ALA A 81 42.604 95.648 75.948 1.00 0.00 N ATOM 1170 CA ALA A 81 43.394 96.868 75.605 1.00 0.00 C ATOM 1171 C ALA A 81 42.590 98.134 75.929 1.00 0.00 C ATOM 1172 O ALA A 81 41.376 98.141 75.864 1.00 0.00 O ATOM 1173 CB ALA A 81 43.653 96.764 74.102 1.00 0.00 C ATOM 0 H ALA A 81 41.598 95.732 75.804 1.00 0.00 H new ATOM 0 HA ALA A 81 44.321 96.931 76.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.231 97.627 73.772 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.211 95.852 73.891 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.702 96.739 73.570 1.00 0.00 H new ATOM 1179 N PHE A 82 43.265 99.208 76.258 1.00 18.56 N ATOM 1180 CA PHE A 82 42.557 100.487 76.565 1.00 17.00 C ATOM 1181 C PHE A 82 42.999 101.558 75.558 1.00 16.61 C ATOM 1182 O PHE A 82 44.136 101.568 75.126 1.00 15.77 O ATOM 1183 CB PHE A 82 42.998 100.856 77.986 1.00 13.41 C ATOM 1184 CG PHE A 82 42.363 102.167 78.390 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.009 102.208 78.744 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.127 103.340 78.407 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.419 103.423 79.113 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.536 104.554 78.776 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.182 104.595 79.129 1.00 9.06 C ATOM 0 H PHE A 82 44.282 99.253 76.327 1.00 18.56 H new ATOM 0 HA PHE A 82 41.472 100.402 76.497 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.708 100.070 78.683 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.084 100.937 78.031 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.420 101.303 78.732 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.172 103.308 78.136 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.374 103.455 79.385 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.125 105.459 78.788 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.726 105.532 79.414 1.00 9.06 H new ATOM 1199 N HIS A 83 42.118 102.453 75.176 1.00 0.00 N ATOM 1200 CA HIS A 83 42.512 103.508 74.189 1.00 0.00 C ATOM 1201 C HIS A 83 41.788 104.832 74.467 1.00 0.00 C ATOM 1202 O HIS A 83 40.617 104.859 74.795 1.00 0.00 O ATOM 1203 CB HIS A 83 42.106 102.947 72.820 1.00 0.00 C ATOM 1204 CG HIS A 83 40.625 102.666 72.790 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.690 103.659 72.546 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.907 101.512 72.973 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.472 103.088 72.587 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.547 101.780 72.844 1.00 0.00 N ATOM 0 H HIS A 83 41.152 102.499 75.502 1.00 0.00 H new ATOM 0 HA HIS A 83 43.578 103.729 74.244 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.364 103.659 72.036 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.661 102.032 72.615 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.332 100.542 73.185 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.547 103.623 72.431 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.774 101.119 72.928 1.00 0.00 H new ATOM 1216 N TYR A 84 42.482 105.931 74.305 1.00 21.96 N ATOM 1217 CA TYR A 84 41.855 107.273 74.518 1.00 22.81 C ATOM 1218 C TYR A 84 42.565 108.318 73.641 1.00 25.11 C ATOM 1219 O TYR A 84 43.649 108.081 73.144 1.00 26.65 O ATOM 1220 CB TYR A 84 41.991 107.589 76.022 1.00 19.35 C ATOM 1221 CG TYR A 84 43.434 107.837 76.414 1.00 16.39 C ATOM 1222 CD1 TYR A 84 43.965 109.131 76.333 1.00 15.59 C ATOM 1223 CD2 TYR A 84 44.228 106.785 76.882 1.00 12.01 C ATOM 1224 CE1 TYR A 84 45.290 109.370 76.717 1.00 14.00 C ATOM 1225 CE2 TYR A 84 45.555 107.023 77.264 1.00 9.20 C ATOM 1226 CZ TYR A 84 46.085 108.316 77.181 1.00 12.19 C ATOM 1227 OH TYR A 84 47.391 108.551 77.560 1.00 13.46 O ATOM 0 H TYR A 84 43.464 105.956 74.032 1.00 21.96 H new ATOM 0 HA TYR A 84 40.803 107.287 74.233 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.392 108.466 76.265 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.593 106.759 76.606 1.00 19.35 H new ATOM 0 HD1 TYR A 84 43.352 109.945 75.974 1.00 15.59 H new ATOM 0 HD2 TYR A 84 43.818 105.788 76.949 1.00 12.01 H new ATOM 0 HE1 TYR A 84 45.699 110.368 76.655 1.00 14.00 H new ATOM 0 HE2 TYR A 84 46.168 106.209 77.622 1.00 9.20 H new ATOM 0 HH TYR A 84 47.725 107.787 78.074 1.00 13.46 H new ATOM 1237 N THR A 85 41.960 109.462 73.435 1.00 26.58 N ATOM 1238 CA THR A 85 42.603 110.505 72.574 1.00 26.99 C ATOM 1239 C THR A 85 43.306 111.569 73.426 1.00 28.14 C ATOM 1240 O THR A 85 42.792 112.008 74.438 1.00 27.02 O ATOM 1241 CB THR A 85 41.453 111.127 71.781 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.757 110.106 71.079 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.009 112.145 70.784 1.00 21.76 C ATOM 0 H THR A 85 41.053 109.719 73.824 1.00 26.58 H new ATOM 0 HA THR A 85 43.368 110.077 71.926 1.00 26.99 H new ATOM 0 HB THR A 85 40.770 111.629 72.466 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.019 110.503 70.572 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.188 112.587 70.220 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.542 112.928 71.323 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.693 111.646 70.098 1.00 21.76 H new ATOM 1251 N SER A 86 44.480 111.985 73.015 1.00 29.06 N ATOM 1252 CA SER A 86 45.229 113.024 73.785 1.00 29.05 C ATOM 1253 C SER A 86 45.603 114.191 72.861 1.00 29.43 C ATOM 1254 O SER A 86 45.525 114.072 71.647 1.00 29.12 O ATOM 1255 CB SER A 86 46.486 112.312 74.279 1.00 29.12 C ATOM 1256 OG SER A 86 47.397 113.276 74.791 1.00 33.88 O ATOM 0 H SER A 86 44.952 111.647 72.176 1.00 29.06 H new ATOM 0 HA SER A 86 44.644 113.439 74.606 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.229 111.589 75.053 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.947 111.755 73.464 1.00 29.12 H new ATOM 0 HG SER A 86 48.122 113.415 74.147 1.00 33.88 H new ATOM 1262 N GLY A 87 46.019 115.309 73.409 1.00 29.08 N ATOM 1263 CA GLY A 87 46.396 116.467 72.540 1.00 29.89 C ATOM 1264 C GLY A 87 47.585 117.228 73.138 1.00 31.80 C ATOM 1265 O GLY A 87 47.545 117.678 74.267 1.00 31.40 O ATOM 0 H GLY A 87 46.113 115.468 74.412 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.650 116.111 71.542 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.545 117.139 72.432 1.00 29.89 H new ATOM 1269 N VAL A 88 48.636 117.382 72.374 1.00 0.00 N ATOM 1270 CA VAL A 88 49.840 118.125 72.865 1.00 0.00 C ATOM 1271 C VAL A 88 50.289 119.141 71.810 1.00 0.00 C ATOM 1272 O VAL A 88 50.049 118.968 70.629 1.00 0.00 O ATOM 1273 CB VAL A 88 50.924 117.066 73.090 1.00 0.00 C ATOM 1274 CG1 VAL A 88 50.481 116.114 74.200 1.00 0.00 C ATOM 1275 CG2 VAL A 88 51.158 116.274 71.798 1.00 0.00 C ATOM 0 H VAL A 88 48.714 117.022 71.423 1.00 0.00 H new ATOM 0 HA VAL A 88 49.633 118.677 73.782 1.00 0.00 H new ATOM 0 HB VAL A 88 51.852 117.559 73.379 1.00 0.00 H new ATOM 0 HG11 VAL A 88 51.251 115.360 74.361 1.00 0.00 H new ATOM 0 HG12 VAL A 88 50.325 116.676 75.121 1.00 0.00 H new ATOM 0 HG13 VAL A 88 49.550 115.626 73.911 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.930 115.523 71.966 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.232 115.782 71.500 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.478 116.953 71.008 1.00 0.00 H new ATOM 1285 N LEU A 89 50.925 120.207 72.232 1.00 0.00 N ATOM 1286 CA LEU A 89 51.377 121.246 71.256 1.00 0.00 C ATOM 1287 C LEU A 89 52.907 121.273 71.152 1.00 0.00 C ATOM 1288 O LEU A 89 53.609 121.058 72.122 1.00 0.00 O ATOM 1289 CB LEU A 89 50.857 122.568 71.820 1.00 0.00 C ATOM 1290 CG LEU A 89 49.329 122.539 71.870 1.00 0.00 C ATOM 1291 CD1 LEU A 89 48.820 123.750 72.653 1.00 0.00 C ATOM 1292 CD2 LEU A 89 48.773 122.585 70.445 1.00 0.00 C ATOM 0 H LEU A 89 51.150 120.402 73.208 1.00 0.00 H new ATOM 0 HA LEU A 89 51.003 121.048 70.251 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.260 122.732 72.819 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.195 123.398 71.199 1.00 0.00 H new ATOM 0 HG LEU A 89 48.999 121.624 72.362 1.00 0.00 H new ATOM 0 HD11 LEU A 89 47.731 123.729 72.688 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.217 123.720 73.668 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.149 124.666 72.162 1.00 0.00 H new ATOM 0 HD21 LEU A 89 47.684 122.564 70.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.104 123.501 69.955 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.135 121.723 69.885 1.00 0.00 H new ATOM 1304 N LEU A 90 53.420 121.539 69.977 1.00 37.85 N ATOM 1305 CA LEU A 90 54.903 121.588 69.790 1.00 36.74 C ATOM 1306 C LEU A 90 55.317 122.967 69.273 1.00 35.30 C ATOM 1307 O LEU A 90 54.590 123.600 68.531 1.00 35.10 O ATOM 1308 CB LEU A 90 55.208 120.508 68.751 1.00 38.41 C ATOM 1309 CG LEU A 90 55.033 119.127 69.384 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.179 118.045 68.309 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.099 118.924 70.464 1.00 38.08 C ATOM 0 H LEU A 90 52.874 121.725 69.136 1.00 37.85 H new ATOM 0 HA LEU A 90 55.446 121.419 70.720 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.542 120.614 67.894 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.226 120.623 68.379 1.00 38.41 H new ATOM 0 HG LEU A 90 54.042 119.057 69.833 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.054 117.062 68.763 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.419 118.190 67.541 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.168 118.113 67.857 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.976 117.940 70.916 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.090 118.996 70.015 1.00 38.08 H new ATOM 0 HD23 LEU A 90 55.991 119.692 71.230 1.00 38.08 H new ATOM 1323 N GLU A 91 56.471 123.446 69.667 1.00 0.00 N ATOM 1324 CA GLU A 91 56.926 124.796 69.205 1.00 0.00 C ATOM 1325 C GLU A 91 57.359 124.761 67.734 1.00 0.00 C ATOM 1326 O GLU A 91 57.323 125.768 67.053 1.00 0.00 O ATOM 1327 CB GLU A 91 58.115 125.147 70.104 1.00 0.00 C ATOM 1328 CG GLU A 91 58.613 126.557 69.773 1.00 0.00 C ATOM 1329 CD GLU A 91 59.806 126.919 70.669 1.00 0.00 C ATOM 1330 OE1 GLU A 91 59.959 126.299 71.710 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.543 127.818 70.298 1.00 0.00 O ATOM 0 H GLU A 91 57.118 122.961 70.289 1.00 0.00 H new ATOM 0 HA GLU A 91 56.126 125.533 69.272 1.00 0.00 H new ATOM 0 HB2 GLU A 91 57.820 125.092 71.152 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.918 124.424 69.960 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.906 126.611 68.725 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.808 127.278 69.916 1.00 0.00 H new ATOM 1338 N THR A 92 57.776 123.619 67.242 1.00 31.63 N ATOM 1339 CA THR A 92 58.219 123.540 65.814 1.00 28.98 C ATOM 1340 C THR A 92 57.418 122.477 65.055 1.00 28.33 C ATOM 1341 O THR A 92 56.651 121.732 65.633 1.00 29.20 O ATOM 1342 CB THR A 92 59.701 123.163 65.871 1.00 29.53 C ATOM 1343 OG1 THR A 92 59.845 121.927 66.555 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.479 124.253 66.611 1.00 25.50 C ATOM 0 H THR A 92 57.829 122.744 67.763 1.00 31.63 H new ATOM 0 HA THR A 92 58.060 124.481 65.288 1.00 28.98 H new ATOM 0 HB THR A 92 60.092 123.067 64.858 1.00 29.53 H new ATOM 0 HG1 THR A 92 59.925 121.200 65.903 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.534 123.983 66.651 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.366 125.201 66.085 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.091 124.352 67.625 1.00 25.50 H new ATOM 1352 N GLU A 93 57.587 122.419 63.757 1.00 0.00 N ATOM 1353 CA GLU A 93 56.833 121.423 62.936 1.00 0.00 C ATOM 1354 C GLU A 93 57.561 120.071 62.882 1.00 0.00 C ATOM 1355 O GLU A 93 57.158 119.182 62.154 1.00 0.00 O ATOM 1356 CB GLU A 93 56.777 122.037 61.537 1.00 0.00 C ATOM 1357 CG GLU A 93 55.573 121.472 60.778 1.00 0.00 C ATOM 1358 CD GLU A 93 55.513 122.071 59.367 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.059 123.147 59.170 1.00 0.00 O ATOM 1360 OE2 GLU A 93 54.917 121.445 58.507 1.00 0.00 O ATOM 0 H GLU A 93 58.218 123.022 63.229 1.00 0.00 H new ATOM 0 HA GLU A 93 55.847 121.226 63.356 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.699 123.122 61.608 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.697 121.818 60.995 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.648 120.386 60.718 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.654 121.699 61.318 1.00 0.00 H new ATOM 1367 N GLN A 94 58.619 119.899 63.641 1.00 0.00 N ATOM 1368 CA GLN A 94 59.351 118.597 63.620 1.00 0.00 C ATOM 1369 C GLN A 94 59.745 118.209 65.046 1.00 0.00 C ATOM 1370 O GLN A 94 59.997 119.074 65.868 1.00 0.00 O ATOM 1371 CB GLN A 94 60.603 118.855 62.777 1.00 0.00 C ATOM 1372 CG GLN A 94 60.202 119.261 61.355 1.00 0.00 C ATOM 1373 CD GLN A 94 59.474 118.101 60.673 1.00 0.00 C ATOM 1374 OE1 GLN A 94 59.690 116.952 61.007 1.00 0.00 O ATOM 1375 NE2 GLN A 94 58.616 118.354 59.723 1.00 0.00 N ATOM 0 H GLN A 94 59.004 120.603 64.271 1.00 0.00 H new ATOM 0 HA GLN A 94 58.748 117.786 63.212 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.203 119.642 63.233 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.223 117.959 62.747 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.558 120.140 61.385 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.087 119.535 60.781 1.00 0.00 H new ATOM 0 HE21 GLN A 94 58.435 119.318 59.443 1.00 0.00 H new ATOM 0 HE22 GLN A 94 58.126 117.588 59.261 1.00 0.00 H new ATOM 1384 N GLY A 95 59.810 116.934 65.360 1.00 27.89 N ATOM 1385 CA GLY A 95 60.202 116.555 66.753 1.00 28.05 C ATOM 1386 C GLY A 95 60.103 115.046 66.993 1.00 27.70 C ATOM 1387 O GLY A 95 59.374 114.333 66.335 1.00 25.89 O ATOM 0 H GLY A 95 59.613 116.158 64.728 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.223 116.885 66.943 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.561 117.077 67.463 1.00 28.05 H new ATOM 1391 N GLN A 96 60.843 114.579 67.964 1.00 0.00 N ATOM 1392 CA GLN A 96 60.834 113.130 68.326 1.00 0.00 C ATOM 1393 C GLN A 96 60.344 112.973 69.769 1.00 0.00 C ATOM 1394 O GLN A 96 60.816 113.651 70.663 1.00 0.00 O ATOM 1395 CB GLN A 96 62.297 112.695 68.212 1.00 0.00 C ATOM 1396 CG GLN A 96 62.414 111.202 68.524 1.00 0.00 C ATOM 1397 CD GLN A 96 63.877 110.770 68.410 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.643 110.926 69.340 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.300 110.232 67.300 1.00 0.00 N ATOM 0 H GLN A 96 61.466 115.152 68.533 1.00 0.00 H new ATOM 0 HA GLN A 96 60.180 112.535 67.689 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.670 112.897 67.208 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.913 113.271 68.903 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.041 110.999 69.528 1.00 0.00 H new ATOM 0 HG3 GLN A 96 61.799 110.626 67.833 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.657 110.101 66.519 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.274 109.942 67.213 1.00 0.00 H new ATOM 1408 N MET A 97 59.391 112.104 70.002 1.00 0.00 N ATOM 1409 CA MET A 97 58.861 111.930 71.390 1.00 0.00 C ATOM 1410 C MET A 97 58.916 110.462 71.830 1.00 0.00 C ATOM 1411 O MET A 97 58.310 109.600 71.222 1.00 0.00 O ATOM 1412 CB MET A 97 57.409 112.400 71.308 1.00 0.00 C ATOM 1413 CG MET A 97 57.370 113.882 70.924 1.00 0.00 C ATOM 1414 SD MET A 97 55.654 114.398 70.671 1.00 0.00 S ATOM 1415 CE MET A 97 55.154 114.402 72.412 1.00 0.00 C ATOM 0 H MET A 97 58.959 111.510 69.294 1.00 0.00 H new ATOM 0 HA MET A 97 59.448 112.489 72.118 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.866 111.809 70.571 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.913 112.249 72.267 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.829 114.484 71.708 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.948 114.048 70.015 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.075 114.540 72.480 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.428 113.452 72.871 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.658 115.216 72.933 1.00 0.00 H new ATOM 1425 N GLN A 98 59.619 110.177 72.896 1.00 0.00 N ATOM 1426 CA GLN A 98 59.708 108.779 73.415 1.00 0.00 C ATOM 1427 C GLN A 98 59.410 108.807 74.916 1.00 0.00 C ATOM 1428 O GLN A 98 59.644 109.808 75.568 1.00 0.00 O ATOM 1429 CB GLN A 98 61.156 108.355 73.163 1.00 0.00 C ATOM 1430 CG GLN A 98 61.335 106.886 73.553 1.00 0.00 C ATOM 1431 CD GLN A 98 62.785 106.461 73.302 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.479 107.063 72.507 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.273 105.439 73.951 1.00 0.00 N ATOM 0 H GLN A 98 60.143 110.865 73.437 1.00 0.00 H new ATOM 0 HA GLN A 98 59.006 108.093 72.940 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.410 108.496 72.112 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.835 108.981 73.742 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.081 106.744 74.603 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.656 106.260 72.974 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.691 104.933 74.619 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.237 105.146 73.791 1.00 0.00 H new ATOM 1442 N GLY A 99 58.886 107.740 75.479 1.00 29.62 N ATOM 1443 CA GLY A 99 58.578 107.770 76.947 1.00 28.62 C ATOM 1444 C GLY A 99 58.341 106.360 77.480 1.00 28.62 C ATOM 1445 O GLY A 99 58.524 105.383 76.781 1.00 29.22 O ATOM 0 H GLY A 99 58.663 106.869 74.998 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.404 108.234 77.487 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.695 108.384 77.125 1.00 28.62 H new ATOM 1449 N HIS A 100 57.936 106.251 78.724 1.00 0.00 N ATOM 1450 CA HIS A 100 57.683 104.903 79.315 1.00 0.00 C ATOM 1451 C HIS A 100 56.389 104.911 80.142 1.00 0.00 C ATOM 1452 O HIS A 100 55.903 105.949 80.551 1.00 0.00 O ATOM 1453 CB HIS A 100 58.893 104.619 80.208 1.00 0.00 C ATOM 1454 CG HIS A 100 60.139 104.538 79.369 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.744 105.664 78.831 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.910 103.474 78.974 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.827 105.254 78.147 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.975 103.928 78.202 1.00 0.00 N ATOM 0 H HIS A 100 57.771 107.037 79.352 1.00 0.00 H new ATOM 0 HA HIS A 100 57.559 104.139 78.547 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.997 105.406 80.955 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.746 103.684 80.748 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.719 102.441 79.224 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.496 105.917 77.618 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.711 103.368 77.771 1.00 0.00 H new ATOM 1466 N TYR A 101 55.834 103.749 80.380 1.00 25.77 N ATOM 1467 CA TYR A 101 54.567 103.655 81.173 1.00 25.79 C ATOM 1468 C TYR A 101 54.809 102.868 82.464 1.00 26.52 C ATOM 1469 O TYR A 101 55.300 101.758 82.427 1.00 27.05 O ATOM 1470 CB TYR A 101 53.588 102.888 80.278 1.00 24.67 C ATOM 1471 CG TYR A 101 52.984 103.792 79.223 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.533 105.082 79.551 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.871 103.329 77.907 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.972 105.899 78.562 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.311 104.147 76.920 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.861 105.432 77.246 1.00 23.58 C ATOM 1477 OH TYR A 101 51.306 106.237 76.272 1.00 25.91 O ATOM 0 H TYR A 101 56.205 102.855 80.058 1.00 25.77 H new ATOM 0 HA TYR A 101 54.190 104.639 81.453 1.00 25.79 H new ATOM 0 HB2 TYR A 101 54.106 102.058 79.796 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.795 102.457 80.889 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.619 105.443 80.565 1.00 20.31 H new ATOM 0 HD2 TYR A 101 53.217 102.338 77.653 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.625 106.890 78.814 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.226 103.787 75.905 1.00 24.17 H new ATOM 0 HH TYR A 101 51.980 106.870 75.948 1.00 25.91 H new ATOM 1487 N ASP A 102 54.431 103.402 83.600 1.00 0.00 N ATOM 1488 CA ASP A 102 54.603 102.642 84.876 1.00 0.00 C ATOM 1489 C ASP A 102 53.372 101.758 85.095 1.00 0.00 C ATOM 1490 O ASP A 102 52.252 102.228 85.156 1.00 0.00 O ATOM 1491 CB ASP A 102 54.741 103.695 85.975 1.00 0.00 C ATOM 1492 CG ASP A 102 56.083 104.416 85.833 1.00 0.00 C ATOM 1493 OD1 ASP A 102 57.035 103.779 85.409 1.00 0.00 O ATOM 1494 OD2 ASP A 102 56.138 105.593 86.151 1.00 0.00 O ATOM 0 H ASP A 102 54.013 104.327 83.698 1.00 0.00 H new ATOM 0 HA ASP A 102 55.476 101.989 84.867 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.923 104.412 85.909 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.673 103.223 86.955 1.00 0.00 H new ATOM 1499 N MET A 103 53.589 100.473 85.195 1.00 0.00 N ATOM 1500 CA MET A 103 52.459 99.514 85.388 1.00 0.00 C ATOM 1501 C MET A 103 52.707 98.628 86.610 1.00 0.00 C ATOM 1502 O MET A 103 53.819 98.514 87.091 1.00 0.00 O ATOM 1503 CB MET A 103 52.454 98.662 84.117 1.00 0.00 C ATOM 1504 CG MET A 103 52.236 99.557 82.895 1.00 0.00 C ATOM 1505 SD MET A 103 51.688 98.547 81.497 1.00 0.00 S ATOM 1506 CE MET A 103 50.002 98.248 82.081 1.00 0.00 C ATOM 0 H MET A 103 54.512 100.041 85.151 1.00 0.00 H new ATOM 0 HA MET A 103 51.511 100.026 85.555 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.399 98.126 84.023 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.666 97.911 84.175 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.492 100.321 83.119 1.00 0.00 H new ATOM 0 HG3 MET A 103 53.160 100.076 82.642 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.325 98.200 81.228 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.968 97.304 82.625 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.697 99.059 82.742 1.00 0.00 H new ATOM 1516 N VAL A 104 51.676 97.991 87.108 1.00 21.01 N ATOM 1517 CA VAL A 104 51.842 97.099 88.298 1.00 21.69 C ATOM 1518 C VAL A 104 50.985 95.839 88.141 1.00 22.60 C ATOM 1519 O VAL A 104 49.810 95.912 87.834 1.00 22.32 O ATOM 1520 CB VAL A 104 51.365 97.911 89.514 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.381 99.010 89.825 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.990 98.539 89.245 1.00 23.28 C ATOM 0 H VAL A 104 50.726 98.050 86.742 1.00 21.01 H new ATOM 0 HA VAL A 104 52.878 96.780 88.411 1.00 21.69 H new ATOM 0 HB VAL A 104 51.276 97.239 90.368 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.042 99.585 90.687 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.348 98.559 90.047 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.478 99.670 88.963 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.673 99.108 90.119 1.00 23.28 H new ATOM 0 HG22 VAL A 104 50.056 99.203 88.383 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.264 97.752 89.042 1.00 23.28 H new ATOM 1532 N ALA A 105 51.560 94.686 88.361 1.00 0.00 N ATOM 1533 CA ALA A 105 50.777 93.418 88.241 1.00 0.00 C ATOM 1534 C ALA A 105 49.834 93.288 89.438 1.00 0.00 C ATOM 1535 O ALA A 105 49.972 93.993 90.422 1.00 0.00 O ATOM 1536 CB ALA A 105 51.819 92.299 88.257 1.00 0.00 C ATOM 0 H ALA A 105 52.540 94.566 88.619 1.00 0.00 H new ATOM 0 HA ALA A 105 50.168 93.386 87.337 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.318 91.334 88.172 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.504 92.427 87.419 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.379 92.336 89.191 1.00 0.00 H new ATOM 1542 N ASP A 106 48.874 92.400 89.361 1.00 0.00 N ATOM 1543 CA ASP A 106 47.919 92.238 90.502 1.00 0.00 C ATOM 1544 C ASP A 106 48.667 91.754 91.747 1.00 0.00 C ATOM 1545 O ASP A 106 48.275 92.038 92.864 1.00 0.00 O ATOM 1546 CB ASP A 106 46.911 91.182 90.039 1.00 0.00 C ATOM 1547 CG ASP A 106 45.744 91.116 91.027 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.974 91.341 92.204 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.638 90.843 90.590 1.00 0.00 O ATOM 0 H ASP A 106 48.710 91.784 88.564 1.00 0.00 H new ATOM 0 HA ASP A 106 47.429 93.176 90.765 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.543 91.428 89.043 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.396 90.208 89.968 1.00 0.00 H new ATOM 1554 N ASP A 107 49.738 91.022 91.563 1.00 0.00 N ATOM 1555 CA ASP A 107 50.514 90.512 92.735 1.00 0.00 C ATOM 1556 C ASP A 107 51.348 91.629 93.377 1.00 0.00 C ATOM 1557 O ASP A 107 51.907 91.450 94.444 1.00 0.00 O ATOM 1558 CB ASP A 107 51.429 89.425 92.166 1.00 0.00 C ATOM 1559 CG ASP A 107 50.592 88.211 91.754 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.595 87.953 92.409 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.963 87.560 90.792 1.00 0.00 O ATOM 0 H ASP A 107 50.108 90.756 90.651 1.00 0.00 H new ATOM 0 HA ASP A 107 49.855 90.132 93.516 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.977 89.810 91.306 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.170 89.133 92.911 1.00 0.00 H new ATOM 1566 N GLY A 108 51.440 92.776 92.746 1.00 30.43 N ATOM 1567 CA GLY A 108 52.241 93.890 93.333 1.00 29.11 C ATOM 1568 C GLY A 108 53.582 94.031 92.600 1.00 29.35 C ATOM 1569 O GLY A 108 54.319 94.971 92.834 1.00 30.17 O ATOM 0 H GLY A 108 50.995 92.986 91.852 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.682 94.823 93.264 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.417 93.701 94.392 1.00 29.11 H new ATOM 1573 N THR A 109 53.914 93.111 91.718 1.00 0.00 N ATOM 1574 CA THR A 109 55.218 93.211 90.982 1.00 0.00 C ATOM 1575 C THR A 109 55.291 94.542 90.225 1.00 0.00 C ATOM 1576 O THR A 109 54.335 94.949 89.591 1.00 0.00 O ATOM 1577 CB THR A 109 55.215 92.037 89.999 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.964 90.830 90.704 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.575 91.951 89.302 1.00 0.00 C ATOM 0 H THR A 109 53.342 92.301 91.478 1.00 0.00 H new ATOM 0 HA THR A 109 56.075 93.175 91.654 1.00 0.00 H new ATOM 0 HB THR A 109 54.435 92.189 89.253 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.685 90.134 90.073 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.573 91.115 88.602 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.765 92.877 88.760 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.356 91.799 90.047 1.00 0.00 H new ATOM 1587 N GLU A 110 56.407 95.225 90.289 1.00 0.00 N ATOM 1588 CA GLU A 110 56.519 96.534 89.575 1.00 0.00 C ATOM 1589 C GLU A 110 57.297 96.372 88.264 1.00 0.00 C ATOM 1590 O GLU A 110 58.284 95.665 88.196 1.00 0.00 O ATOM 1591 CB GLU A 110 57.266 97.455 90.538 1.00 0.00 C ATOM 1592 CG GLU A 110 56.404 97.708 91.776 1.00 0.00 C ATOM 1593 CD GLU A 110 55.170 98.522 91.382 1.00 0.00 C ATOM 1594 OE1 GLU A 110 55.299 99.373 90.518 1.00 0.00 O ATOM 1595 OE2 GLU A 110 54.118 98.279 91.951 1.00 0.00 O ATOM 0 H GLU A 110 57.240 94.935 90.801 1.00 0.00 H new ATOM 0 HA GLU A 110 55.542 96.935 89.307 1.00 0.00 H new ATOM 0 HB2 GLU A 110 58.214 97.003 90.829 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.501 98.399 90.046 1.00 0.00 H new ATOM 0 HG2 GLU A 110 56.101 96.760 92.221 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.980 98.244 92.530 1.00 0.00 H new ATOM 1602 N PHE A 111 56.854 97.035 87.227 1.00 27.41 N ATOM 1603 CA PHE A 111 57.551 96.946 85.910 1.00 27.50 C ATOM 1604 C PHE A 111 57.098 98.094 84.998 1.00 28.03 C ATOM 1605 O PHE A 111 55.950 98.497 85.013 1.00 27.72 O ATOM 1606 CB PHE A 111 57.170 95.571 85.332 1.00 26.12 C ATOM 1607 CG PHE A 111 55.700 95.527 84.965 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.751 95.134 85.916 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.292 95.872 83.671 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.395 95.088 85.573 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.937 95.823 83.327 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.988 95.432 84.278 1.00 23.73 C ATOM 0 H PHE A 111 56.032 97.639 87.237 1.00 27.41 H new ATOM 0 HA PHE A 111 58.633 97.038 86.004 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.776 95.362 84.450 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.390 94.792 86.062 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.065 94.866 86.914 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.024 96.176 82.938 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.662 94.787 86.307 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.623 96.087 82.328 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.942 95.396 84.013 1.00 23.73 H new ATOM 1622 N ILE A 112 58.002 98.624 84.217 1.00 0.00 N ATOM 1623 CA ILE A 112 57.653 99.756 83.309 1.00 0.00 C ATOM 1624 C ILE A 112 57.450 99.250 81.877 1.00 0.00 C ATOM 1625 O ILE A 112 57.968 98.221 81.489 1.00 0.00 O ATOM 1626 CB ILE A 112 58.852 100.709 83.380 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.051 101.180 84.825 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.596 101.926 82.489 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.383 101.923 84.941 1.00 0.00 C ATOM 0 H ILE A 112 58.974 98.319 84.169 1.00 0.00 H new ATOM 0 HA ILE A 112 56.725 100.247 83.603 1.00 0.00 H new ATOM 0 HB ILE A 112 59.744 100.185 83.038 1.00 0.00 H new ATOM 0 HG12 ILE A 112 58.231 101.834 85.122 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.039 100.326 85.502 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.450 102.601 82.542 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.455 101.599 81.459 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.701 102.445 82.831 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.524 102.258 85.969 1.00 0.00 H new ATOM 0 HD12 ILE A 112 61.198 101.255 84.662 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.377 102.786 84.276 1.00 0.00 H new ATOM 1641 N ALA A 113 56.711 99.986 81.088 1.00 0.00 N ATOM 1642 CA ALA A 113 56.474 99.586 79.671 1.00 0.00 C ATOM 1643 C ALA A 113 56.986 100.699 78.744 1.00 0.00 C ATOM 1644 O ALA A 113 56.314 101.691 78.544 1.00 0.00 O ATOM 1645 CB ALA A 113 54.959 99.428 79.545 1.00 0.00 C ATOM 0 H ALA A 113 56.258 100.855 81.369 1.00 0.00 H new ATOM 0 HA ALA A 113 56.990 98.666 79.398 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.707 99.134 78.526 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.614 98.662 80.240 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.474 100.375 79.779 1.00 0.00 H new ATOM 1651 N PRO A 114 58.176 100.502 78.223 1.00 31.26 N ATOM 1652 CA PRO A 114 58.756 101.547 77.327 1.00 32.26 C ATOM 1653 C PRO A 114 57.861 101.828 76.116 1.00 31.77 C ATOM 1654 O PRO A 114 57.245 100.950 75.546 1.00 33.24 O ATOM 1655 CB PRO A 114 60.093 100.963 76.882 1.00 32.64 C ATOM 1656 CG PRO A 114 59.925 99.491 77.012 1.00 33.31 C ATOM 1657 CD PRO A 114 58.985 99.267 78.161 1.00 32.61 C ATOM 0 HA PRO A 114 58.858 102.503 77.840 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.326 101.246 75.855 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.910 101.325 77.506 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.523 99.064 76.093 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.884 99.006 77.195 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.359 98.390 77.996 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.528 99.101 79.091 1.00 32.61 H new ATOM 1665 N ILE A 115 57.816 103.077 75.730 1.00 30.59 N ATOM 1666 CA ILE A 115 56.998 103.500 74.556 1.00 30.04 C ATOM 1667 C ILE A 115 57.934 103.845 73.399 1.00 30.45 C ATOM 1668 O ILE A 115 58.810 104.687 73.526 1.00 30.15 O ATOM 1669 CB ILE A 115 56.237 104.750 75.010 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.409 104.431 76.259 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.302 105.209 73.890 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.854 105.728 76.848 1.00 28.50 C ATOM 0 H ILE A 115 58.322 103.835 76.188 1.00 30.59 H new ATOM 0 HA ILE A 115 56.314 102.720 74.221 1.00 30.04 H new ATOM 0 HB ILE A 115 56.952 105.540 75.243 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.592 103.756 76.004 1.00 29.23 H new ATOM 0 HG13 ILE A 115 56.027 103.919 76.997 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.759 106.098 74.211 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.887 105.442 73.000 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.592 104.414 73.660 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.265 105.501 77.737 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.679 106.387 77.118 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.222 106.222 76.110 1.00 28.50 H new ATOM 1684 N ALA A 116 57.755 103.196 72.274 1.00 30.78 N ATOM 1685 CA ALA A 116 58.630 103.456 71.085 1.00 29.78 C ATOM 1686 C ALA A 116 58.694 104.950 70.761 1.00 29.57 C ATOM 1687 O ALA A 116 57.756 105.687 71.000 1.00 28.51 O ATOM 1688 CB ALA A 116 57.969 102.698 69.932 1.00 27.76 C ATOM 0 H ALA A 116 57.033 102.490 72.126 1.00 30.78 H new ATOM 0 HA ALA A 116 59.655 103.132 71.266 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.552 102.839 69.022 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.924 101.636 70.173 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.959 103.078 69.778 1.00 27.76 H new ATOM 1694 N ALA A 117 59.796 105.398 70.218 1.00 0.00 N ATOM 1695 CA ALA A 117 59.934 106.840 69.873 1.00 0.00 C ATOM 1696 C ALA A 117 59.475 107.083 68.433 1.00 0.00 C ATOM 1697 O ALA A 117 60.021 106.529 67.497 1.00 0.00 O ATOM 1698 CB ALA A 117 61.426 107.139 70.016 1.00 0.00 C ATOM 0 H ALA A 117 60.609 104.822 69.999 1.00 0.00 H new ATOM 0 HA ALA A 117 59.326 107.479 70.514 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.612 108.186 69.778 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.741 106.938 71.040 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.991 106.506 69.332 1.00 0.00 H new ATOM 1704 N PHE A 118 58.492 107.924 68.253 1.00 29.64 N ATOM 1705 CA PHE A 118 58.003 108.234 66.877 1.00 29.08 C ATOM 1706 C PHE A 118 58.391 109.671 66.532 1.00 30.66 C ATOM 1707 O PHE A 118 58.759 110.439 67.403 1.00 30.55 O ATOM 1708 CB PHE A 118 56.478 108.051 66.916 1.00 25.73 C ATOM 1709 CG PHE A 118 55.858 108.953 67.959 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.492 110.261 67.623 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.641 108.477 69.259 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.911 111.094 68.586 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.059 109.310 70.221 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.693 110.619 69.885 1.00 21.66 C ATOM 0 H PHE A 118 58.004 108.412 69.004 1.00 29.64 H new ATOM 0 HA PHE A 118 58.437 107.586 66.115 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.055 108.275 65.937 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.237 107.011 67.138 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.658 110.628 66.621 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.923 107.467 69.518 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.631 112.104 68.327 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.892 108.943 71.223 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.243 111.262 70.627 1.00 21.66 H new ATOM 1724 N VAL A 119 58.326 110.048 65.279 1.00 0.00 N ATOM 1725 CA VAL A 119 58.709 111.442 64.901 1.00 0.00 C ATOM 1726 C VAL A 119 57.503 112.201 64.341 1.00 0.00 C ATOM 1727 O VAL A 119 56.586 111.619 63.792 1.00 0.00 O ATOM 1728 CB VAL A 119 59.794 111.282 63.829 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.279 112.662 63.375 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.977 110.500 64.408 1.00 0.00 C ATOM 0 H VAL A 119 58.026 109.454 64.506 1.00 0.00 H new ATOM 0 HA VAL A 119 59.064 112.014 65.758 1.00 0.00 H new ATOM 0 HB VAL A 119 59.378 110.743 62.978 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.050 112.544 62.613 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.442 113.224 62.960 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.691 113.202 64.228 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.747 110.387 63.645 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.388 111.040 65.261 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.639 109.515 64.731 1.00 0.00 H new ATOM 1740 N LEU A 120 57.513 113.500 64.474 1.00 36.62 N ATOM 1741 CA LEU A 120 56.388 114.327 63.949 1.00 37.66 C ATOM 1742 C LEU A 120 56.894 115.194 62.796 1.00 38.64 C ATOM 1743 O LEU A 120 57.944 115.802 62.885 1.00 37.83 O ATOM 1744 CB LEU A 120 55.925 115.209 65.116 1.00 38.14 C ATOM 1745 CG LEU A 120 55.221 114.362 66.186 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.248 113.528 66.960 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.474 115.283 67.154 1.00 37.30 C ATOM 0 H LEU A 120 58.259 114.028 64.928 1.00 36.62 H new ATOM 0 HA LEU A 120 55.569 113.713 63.574 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.782 115.721 65.555 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.247 115.980 64.750 1.00 38.14 H new ATOM 0 HG LEU A 120 54.514 113.690 65.700 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.737 112.932 67.716 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.774 112.867 66.271 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.965 114.191 67.444 1.00 39.15 H new ATOM 0 HD21 LEU A 120 53.974 114.683 67.914 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.182 115.959 67.633 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.733 115.864 66.605 1.00 37.30 H new ATOM 1759 N SER A 121 56.159 115.249 61.715 1.00 0.00 N ATOM 1760 CA SER A 121 56.590 116.071 60.547 1.00 0.00 C ATOM 1761 C SER A 121 55.371 116.488 59.719 1.00 0.00 C ATOM 1762 O SER A 121 54.842 115.718 58.942 1.00 0.00 O ATOM 1763 CB SER A 121 57.502 115.155 59.733 1.00 0.00 C ATOM 1764 OG SER A 121 58.606 114.758 60.536 1.00 0.00 O ATOM 0 H SER A 121 55.274 114.757 61.592 1.00 0.00 H new ATOM 0 HA SER A 121 57.098 116.986 60.850 1.00 0.00 H new ATOM 0 HB2 SER A 121 56.949 114.278 59.396 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.854 115.673 58.841 1.00 0.00 H new ATOM 0 HG SER A 121 58.820 115.471 61.173 1.00 0.00 H new TER 1770 SER A 121