USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HE2:sc= -5.9 K(o=-8.8,f=-19!) USER MOD Set 1.2: A 53 GLN : amide:sc= 0 X(o=-8.8,f=-8.8) USER MOD Set 1.3: A 63 GLN :FLIP amide:sc= -0.184 F(o=-9.3,f=-8.8) USER MOD Set 1.4: A 100 HIS : no HE2:sc= -2.72! C(o=-8.8!,f=-11!) USER MOD Set 2.1: A 33 TYR OH : rot 80:sc= 0.562! USER MOD Set 2.2: A 86 SER OG : rot -126:sc= 1.49! USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -1.11 USER MOD Set 3.2: A 101 TYR OH : rot 50:sc= -0.73 USER MOD Set 4.1: A 7 TYR OH : rot 165:sc= 1.1 USER MOD Set 4.2: A 109 THR OG1 : rot 156:sc= 1.16 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 SER OG : rot -123:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -97:sc= 0.6 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 39 ASN : amide:sc= -2.53 K(o=-2.5,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 58 ASN : amide:sc= -0.159 K(o=-0.16,f=-2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 83 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-1.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 101:sc= 0.1 USER MOD Single : A 94 GLN : amide:sc=-0.000738 K(o=-0.00074,f=-0.75) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 97 MET CE :methyl -131:sc= -0.087 (180deg=-2.43) USER MOD Single : A 98 GLN : amide:sc= -4.51! C(o=-4.5!,f=-6.4!) USER MOD Single : A 103 MET CE :methyl 155:sc= -0.481 (180deg=-0.723) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.892 86.596 82.758 1.00 0.00 N ATOM 2 CA ARG A 6 54.407 86.737 82.715 1.00 0.00 C ATOM 3 C ARG A 6 54.001 88.214 82.599 1.00 0.00 C ATOM 4 O ARG A 6 52.860 88.568 82.845 1.00 0.00 O ATOM 5 CB ARG A 6 53.922 86.154 84.042 1.00 0.00 C ATOM 6 CG ARG A 6 54.270 84.665 84.103 1.00 0.00 C ATOM 7 CD ARG A 6 53.784 84.081 85.432 1.00 0.00 C ATOM 8 NE ARG A 6 54.383 82.719 85.496 1.00 0.00 N ATOM 9 CZ ARG A 6 55.119 82.378 86.518 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.352 82.800 86.604 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.624 81.617 87.455 1.00 0.00 N ATOM 0 HA ARG A 6 53.974 86.228 81.854 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.387 86.681 84.875 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.845 86.291 84.140 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.805 84.138 83.270 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.347 84.528 84.006 1.00 0.00 H new ATOM 0 HD2 ARG A 6 54.106 84.694 86.274 1.00 0.00 H new ATOM 0 HD3 ARG A 6 52.696 84.036 85.469 1.00 0.00 H new ATOM 0 HE ARG A 6 54.218 82.053 84.741 1.00 0.00 H new ATOM 0 HH11 ARG A 6 56.739 83.396 85.872 1.00 0.00 H new ATOM 0 HH12 ARG A 6 56.928 82.534 87.403 1.00 0.00 H new ATOM 0 HH21 ARG A 6 53.661 81.288 87.389 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.200 81.351 88.253 1.00 0.00 H new ATOM 25 N TYR A 7 54.924 89.076 82.232 1.00 31.93 N ATOM 26 CA TYR A 7 54.590 90.527 82.105 1.00 29.59 C ATOM 27 C TYR A 7 54.925 91.034 80.697 1.00 29.68 C ATOM 28 O TYR A 7 56.059 90.989 80.261 1.00 30.50 O ATOM 29 CB TYR A 7 55.464 91.228 83.148 1.00 27.35 C ATOM 30 CG TYR A 7 55.094 90.737 84.527 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.779 90.869 84.989 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.066 90.146 85.343 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.437 90.411 86.267 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.724 89.689 86.621 1.00 22.47 C ATOM 35 CZ TYR A 7 54.409 89.821 87.083 1.00 22.87 C ATOM 36 OH TYR A 7 54.072 89.370 88.343 1.00 25.71 O ATOM 0 H TYR A 7 55.891 88.834 82.016 1.00 31.93 H new ATOM 0 HA TYR A 7 53.529 90.718 82.264 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.517 91.028 82.949 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.328 92.308 83.086 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.029 91.324 84.360 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.080 90.043 84.986 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.423 90.513 86.623 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.475 89.235 87.251 1.00 22.47 H new ATOM 0 HH TYR A 7 54.780 88.783 88.681 1.00 25.71 H new ATOM 46 N ARG A 8 53.936 91.512 79.990 1.00 0.00 N ATOM 47 CA ARG A 8 54.167 92.027 78.606 1.00 0.00 C ATOM 48 C ARG A 8 53.063 93.016 78.222 1.00 0.00 C ATOM 49 O ARG A 8 51.890 92.765 78.420 1.00 0.00 O ATOM 50 CB ARG A 8 54.126 90.791 77.707 1.00 0.00 C ATOM 51 CG ARG A 8 54.555 91.175 76.289 1.00 0.00 C ATOM 52 CD ARG A 8 54.559 89.930 75.401 1.00 0.00 C ATOM 53 NE ARG A 8 55.739 89.142 75.851 1.00 0.00 N ATOM 54 CZ ARG A 8 56.355 88.352 75.014 1.00 0.00 C ATOM 55 NH1 ARG A 8 55.904 87.147 74.800 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.423 88.769 74.391 1.00 0.00 N ATOM 0 H ARG A 8 52.970 91.569 80.313 1.00 0.00 H new ATOM 0 HA ARG A 8 55.114 92.559 78.515 1.00 0.00 H new ATOM 0 HB2 ARG A 8 54.787 90.019 78.102 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.120 90.372 77.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 53.874 91.923 75.882 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.548 91.624 76.307 1.00 0.00 H new ATOM 0 HD2 ARG A 8 53.637 89.360 75.515 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.641 90.197 74.347 1.00 0.00 H new ATOM 0 HE ARG A 8 56.066 89.219 76.814 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.069 86.821 75.287 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.386 86.531 74.146 1.00 0.00 H new ATOM 0 HH21 ARG A 8 57.776 89.711 74.558 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.905 88.153 73.737 1.00 0.00 H new ATOM 70 N VAL A 9 53.441 94.146 77.680 1.00 0.00 N ATOM 71 CA VAL A 9 52.440 95.181 77.279 1.00 0.00 C ATOM 72 C VAL A 9 52.990 96.009 76.109 1.00 0.00 C ATOM 73 O VAL A 9 53.958 96.731 76.242 1.00 0.00 O ATOM 74 CB VAL A 9 52.247 96.062 78.522 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.264 97.197 78.213 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.687 95.214 79.668 1.00 0.00 C ATOM 0 H VAL A 9 54.412 94.398 77.496 1.00 0.00 H new ATOM 0 HA VAL A 9 51.498 94.742 76.950 1.00 0.00 H new ATOM 0 HB VAL A 9 53.210 96.485 78.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.133 97.817 79.100 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.656 97.807 77.399 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.302 96.776 77.920 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.550 95.839 80.550 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.728 94.790 79.372 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.384 94.409 79.899 1.00 0.00 H new ATOM 86 N GLU A 10 52.352 95.920 74.973 1.00 0.00 N ATOM 87 CA GLU A 10 52.778 96.700 73.775 1.00 0.00 C ATOM 88 C GLU A 10 51.799 97.851 73.530 1.00 0.00 C ATOM 89 O GLU A 10 50.598 97.662 73.477 1.00 0.00 O ATOM 90 CB GLU A 10 52.722 95.703 72.617 1.00 0.00 C ATOM 91 CG GLU A 10 53.228 96.375 71.339 1.00 0.00 C ATOM 92 CD GLU A 10 54.715 96.709 71.487 1.00 0.00 C ATOM 93 OE1 GLU A 10 55.406 95.969 72.168 1.00 0.00 O ATOM 94 OE2 GLU A 10 55.138 97.701 70.915 1.00 0.00 O ATOM 0 H GLU A 10 51.536 95.327 74.822 1.00 0.00 H new ATOM 0 HA GLU A 10 53.770 97.136 73.893 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.331 94.829 72.846 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.700 95.351 72.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 53.077 95.715 70.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 52.659 97.284 71.144 1.00 0.00 H new ATOM 101 N VAL A 11 52.318 99.041 73.385 1.00 26.88 N ATOM 102 CA VAL A 11 51.444 100.229 73.144 1.00 26.83 C ATOM 103 C VAL A 11 51.788 100.864 71.792 1.00 27.58 C ATOM 104 O VAL A 11 52.944 100.979 71.431 1.00 28.21 O ATOM 105 CB VAL A 11 51.758 101.196 74.292 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.910 102.462 74.148 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.435 100.524 75.630 1.00 25.75 C ATOM 0 H VAL A 11 53.317 99.244 73.423 1.00 26.88 H new ATOM 0 HA VAL A 11 50.386 99.968 73.115 1.00 26.83 H new ATOM 0 HB VAL A 11 52.815 101.460 74.258 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.136 103.146 74.966 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.136 102.945 73.197 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.853 102.197 74.178 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.658 101.212 76.446 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.378 100.259 75.658 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.038 99.623 75.740 1.00 25.75 H new ATOM 117 N GLU A 12 50.795 101.278 71.044 1.00 0.00 N ATOM 118 CA GLU A 12 51.058 101.909 69.716 1.00 0.00 C ATOM 119 C GLU A 12 50.445 103.313 69.674 1.00 0.00 C ATOM 120 O GLU A 12 49.329 103.526 70.107 1.00 0.00 O ATOM 121 CB GLU A 12 50.369 100.993 68.702 1.00 0.00 C ATOM 122 CG GLU A 12 50.616 101.521 67.284 1.00 0.00 C ATOM 123 CD GLU A 12 49.931 100.609 66.256 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.645 99.470 66.589 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.710 101.069 65.148 1.00 0.00 O ATOM 0 H GLU A 12 49.810 101.205 71.298 1.00 0.00 H new ATOM 0 HA GLU A 12 52.123 102.018 69.509 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.752 99.977 68.795 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.299 100.950 68.904 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.232 102.537 67.194 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.687 101.566 67.086 1.00 0.00 H new ATOM 132 N VAL A 13 51.177 104.270 69.161 1.00 26.55 N ATOM 133 CA VAL A 13 50.654 105.669 69.091 1.00 26.45 C ATOM 134 C VAL A 13 50.816 106.229 67.672 1.00 27.95 C ATOM 135 O VAL A 13 51.838 106.054 67.036 1.00 27.94 O ATOM 136 CB VAL A 13 51.503 106.464 70.090 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.056 107.926 70.103 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.332 105.872 71.492 1.00 26.97 C ATOM 0 H VAL A 13 52.117 104.142 68.787 1.00 26.55 H new ATOM 0 HA VAL A 13 49.592 105.724 69.330 1.00 26.45 H new ATOM 0 HB VAL A 13 52.550 106.408 69.792 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.663 108.486 70.815 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.178 108.353 69.107 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.008 107.983 70.396 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.936 106.437 72.202 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.283 105.926 71.784 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.655 104.831 71.489 1.00 26.97 H new ATOM 148 N SER A 14 49.803 106.903 67.178 1.00 0.00 N ATOM 149 CA SER A 14 49.877 107.481 65.802 1.00 0.00 C ATOM 150 C SER A 14 49.545 108.984 65.823 1.00 0.00 C ATOM 151 O SER A 14 48.396 109.359 65.955 1.00 0.00 O ATOM 152 CB SER A 14 48.834 106.712 64.993 1.00 0.00 C ATOM 153 OG SER A 14 48.829 107.194 63.655 1.00 0.00 O ATOM 0 H SER A 14 48.927 107.077 67.672 1.00 0.00 H new ATOM 0 HA SER A 14 50.876 107.390 65.375 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.060 105.646 65.007 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.847 106.835 65.440 1.00 0.00 H new ATOM 0 HG SER A 14 48.162 106.702 63.132 1.00 0.00 H new ATOM 159 N PRO A 15 50.568 109.797 65.687 1.00 28.75 N ATOM 160 CA PRO A 15 50.332 111.272 65.686 1.00 30.20 C ATOM 161 C PRO A 15 49.906 111.755 64.293 1.00 33.00 C ATOM 162 O PRO A 15 50.042 111.055 63.308 1.00 32.76 O ATOM 163 CB PRO A 15 51.681 111.868 66.070 1.00 29.34 C ATOM 164 CG PRO A 15 52.685 110.842 65.667 1.00 29.59 C ATOM 165 CD PRO A 15 52.012 109.502 65.783 1.00 28.91 C ATOM 0 HA PRO A 15 49.534 111.565 66.368 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.855 112.814 65.557 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.732 112.072 67.140 1.00 29.34 H new ATOM 0 HG2 PRO A 15 53.026 111.016 64.646 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.564 110.889 66.309 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.332 108.828 64.988 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.255 109.018 66.729 1.00 28.91 H new ATOM 173 N ARG A 16 49.380 112.954 64.220 1.00 34.77 N ATOM 174 CA ARG A 16 48.921 113.516 62.911 1.00 37.64 C ATOM 175 C ARG A 16 48.877 115.049 62.978 1.00 38.99 C ATOM 176 O ARG A 16 48.358 115.634 63.910 1.00 38.96 O ATOM 177 CB ARG A 16 47.518 112.938 62.683 1.00 40.22 C ATOM 178 CG ARG A 16 46.599 113.312 63.851 1.00 43.41 C ATOM 179 CD ARG A 16 45.214 112.700 63.625 1.00 47.90 C ATOM 180 NE ARG A 16 44.559 113.588 62.625 1.00 51.85 N ATOM 181 CZ ARG A 16 43.576 113.135 61.896 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.392 112.976 62.422 1.00 53.27 N ATOM 183 NH2 ARG A 16 43.775 112.841 60.640 1.00 54.10 N ATOM 0 H ARG A 16 49.248 113.573 65.020 1.00 34.77 H new ATOM 0 HA ARG A 16 49.595 113.255 62.095 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.106 113.320 61.749 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.574 111.854 62.587 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.020 112.950 64.789 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.521 114.396 63.934 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.290 111.678 63.255 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.643 112.662 64.553 1.00 47.90 H new ATOM 0 HE ARG A 16 44.879 114.550 62.510 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.235 113.206 63.403 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.624 112.622 61.852 1.00 53.27 H new ATOM 0 HH21 ARG A 16 44.700 112.965 60.227 1.00 54.10 H new ATOM 0 HH22 ARG A 16 43.006 112.487 60.071 1.00 54.10 H new ATOM 197 N PHE A 17 49.444 115.694 61.991 1.00 0.00 N ATOM 198 CA PHE A 17 49.478 117.193 61.962 1.00 0.00 C ATOM 199 C PHE A 17 48.062 117.788 61.932 1.00 0.00 C ATOM 200 O PHE A 17 47.184 117.291 61.251 1.00 0.00 O ATOM 201 CB PHE A 17 50.222 117.539 60.669 1.00 0.00 C ATOM 202 CG PHE A 17 50.410 119.036 60.572 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.368 119.673 61.370 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.629 119.786 59.686 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.545 121.059 61.281 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.805 121.172 59.597 1.00 0.00 C ATOM 207 CZ PHE A 17 50.763 121.808 60.395 1.00 0.00 C ATOM 0 H PHE A 17 49.891 115.243 61.193 1.00 0.00 H new ATOM 0 HA PHE A 17 49.961 117.600 62.851 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.191 117.040 60.651 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.661 117.177 59.808 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.971 119.095 62.055 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.890 119.295 59.070 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.285 121.550 61.896 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.202 121.750 58.913 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.899 122.877 60.327 1.00 0.00 H new ATOM 217 N LEU A 18 47.845 118.859 62.655 1.00 0.00 N ATOM 218 CA LEU A 18 46.497 119.511 62.665 1.00 0.00 C ATOM 219 C LEU A 18 46.587 120.931 62.096 1.00 0.00 C ATOM 220 O LEU A 18 46.648 121.908 62.814 1.00 0.00 O ATOM 221 CB LEU A 18 46.052 119.543 64.128 1.00 0.00 C ATOM 222 CG LEU A 18 45.762 118.123 64.615 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.435 118.155 66.110 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.569 117.551 63.844 1.00 0.00 C ATOM 0 H LEU A 18 48.546 119.312 63.241 1.00 0.00 H new ATOM 0 HA LEU A 18 45.784 118.964 62.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.829 119.996 64.744 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.161 120.162 64.233 1.00 0.00 H new ATOM 0 HG LEU A 18 46.637 117.495 64.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.228 117.143 66.459 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.284 118.562 66.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.560 118.783 66.278 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.363 116.539 64.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.693 118.178 64.012 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.801 117.529 62.779 1.00 0.00 H new ATOM 236 N ALA A 19 46.565 121.029 60.795 1.00 0.00 N ATOM 237 CA ALA A 19 46.619 122.359 60.107 1.00 0.00 C ATOM 238 C ALA A 19 45.329 123.152 60.336 1.00 0.00 C ATOM 239 O ALA A 19 45.352 124.366 60.429 1.00 0.00 O ATOM 240 CB ALA A 19 46.741 122.015 58.620 1.00 0.00 C ATOM 0 H ALA A 19 46.511 120.229 60.164 1.00 0.00 H new ATOM 0 HA ALA A 19 47.441 122.971 60.480 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.787 122.934 58.036 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.648 121.434 58.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.875 121.431 58.309 1.00 0.00 H new ATOM 246 N HIS A 20 44.205 122.485 60.411 1.00 0.00 N ATOM 247 CA HIS A 20 42.914 123.214 60.613 1.00 0.00 C ATOM 248 C HIS A 20 42.829 123.808 62.024 1.00 0.00 C ATOM 249 O HIS A 20 42.098 124.752 62.259 1.00 0.00 O ATOM 250 CB HIS A 20 41.817 122.170 60.395 1.00 0.00 C ATOM 251 CG HIS A 20 40.470 122.837 60.453 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.033 123.706 59.466 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.453 122.773 61.373 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.802 124.127 59.812 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.401 123.588 60.967 1.00 0.00 N ATOM 0 H HIS A 20 44.124 121.471 60.341 1.00 0.00 H new ATOM 0 HA HIS A 20 42.817 124.053 59.924 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.952 121.682 59.430 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.883 121.393 61.157 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.467 122.180 62.275 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.211 124.816 59.227 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.514 123.741 61.448 1.00 0.00 H new ATOM 263 N GLN A 21 43.560 123.263 62.965 1.00 51.13 N ATOM 264 CA GLN A 21 43.505 123.802 64.359 1.00 51.59 C ATOM 265 C GLN A 21 44.892 124.256 64.827 1.00 51.55 C ATOM 266 O GLN A 21 45.258 124.061 65.972 1.00 51.24 O ATOM 267 CB GLN A 21 43.006 122.635 65.212 1.00 52.27 C ATOM 268 CG GLN A 21 42.535 123.156 66.572 1.00 52.27 C ATOM 269 CD GLN A 21 42.024 121.989 67.418 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.584 120.988 66.889 1.00 52.37 O ATOM 271 NE2 GLN A 21 42.065 122.075 68.720 1.00 51.79 N ATOM 0 H GLN A 21 44.190 122.472 62.829 1.00 51.13 H new ATOM 0 HA GLN A 21 42.856 124.675 64.432 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.188 122.124 64.704 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.803 121.904 65.348 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.355 123.658 67.085 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.744 123.894 66.436 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.435 122.916 69.164 1.00 51.79 H new ATOM 0 HE22 GLN A 21 41.728 121.302 69.293 1.00 51.79 H new ATOM 280 N SER A 22 45.665 124.862 63.959 1.00 52.26 N ATOM 281 CA SER A 22 47.026 125.328 64.369 1.00 52.76 C ATOM 282 C SER A 22 47.537 126.425 63.430 1.00 51.68 C ATOM 283 O SER A 22 47.220 126.447 62.255 1.00 52.15 O ATOM 284 CB SER A 22 47.916 124.093 64.274 1.00 53.63 C ATOM 285 OG SER A 22 48.213 123.828 62.909 1.00 55.19 O ATOM 0 H SER A 22 45.414 125.053 62.989 1.00 52.26 H new ATOM 0 HA SER A 22 47.018 125.756 65.372 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.838 124.252 64.834 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.415 123.235 64.722 1.00 53.63 H new ATOM 0 HG SER A 22 47.928 122.918 62.683 1.00 55.19 H new ATOM 291 N THR A 23 48.345 127.320 63.939 1.00 0.00 N ATOM 292 CA THR A 23 48.910 128.410 63.084 1.00 0.00 C ATOM 293 C THR A 23 50.444 128.315 63.097 1.00 0.00 C ATOM 294 O THR A 23 51.090 128.851 63.976 1.00 0.00 O ATOM 295 CB THR A 23 48.429 129.729 63.710 1.00 0.00 C ATOM 296 OG1 THR A 23 49.016 130.819 63.013 1.00 0.00 O ATOM 297 CG2 THR A 23 48.825 129.804 65.191 1.00 0.00 C ATOM 0 H THR A 23 48.640 127.343 64.915 1.00 0.00 H new ATOM 0 HA THR A 23 48.587 128.339 62.046 1.00 0.00 H new ATOM 0 HB THR A 23 47.343 129.775 63.636 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.711 131.662 63.408 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.475 130.746 65.614 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.372 128.973 65.731 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.910 129.747 65.281 1.00 0.00 H new ATOM 305 N PRO A 24 50.974 127.609 62.125 1.00 49.88 N ATOM 306 CA PRO A 24 52.456 127.439 62.081 1.00 51.02 C ATOM 307 C PRO A 24 53.176 128.766 61.814 1.00 51.50 C ATOM 308 O PRO A 24 54.341 128.914 62.133 1.00 51.57 O ATOM 309 CB PRO A 24 52.681 126.473 60.921 1.00 51.23 C ATOM 310 CG PRO A 24 51.492 126.646 60.040 1.00 51.05 C ATOM 311 CD PRO A 24 50.341 127.006 60.936 1.00 49.44 C ATOM 0 HA PRO A 24 52.850 127.076 63.030 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.604 126.704 60.389 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.765 125.445 61.274 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.668 127.429 59.302 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.282 125.729 59.489 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.663 127.707 60.449 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.754 126.127 61.201 1.00 49.44 H new ATOM 319 N ASP A 25 52.507 129.723 61.221 1.00 0.00 N ATOM 320 CA ASP A 25 53.176 131.030 60.924 1.00 0.00 C ATOM 321 C ASP A 25 53.511 131.787 62.217 1.00 0.00 C ATOM 322 O ASP A 25 54.377 132.643 62.228 1.00 0.00 O ATOM 323 CB ASP A 25 52.185 131.816 60.066 1.00 0.00 C ATOM 324 CG ASP A 25 52.077 131.171 58.682 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.073 130.643 58.216 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.000 131.217 58.111 1.00 0.00 O ATOM 0 H ASP A 25 51.531 129.658 60.930 1.00 0.00 H new ATOM 0 HA ASP A 25 54.124 130.884 60.406 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.207 131.834 60.547 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.513 132.851 59.971 1.00 0.00 H new ATOM 331 N GLU A 26 52.834 131.490 63.300 1.00 0.00 N ATOM 332 CA GLU A 26 53.121 132.209 64.582 1.00 0.00 C ATOM 333 C GLU A 26 53.895 131.308 65.555 1.00 0.00 C ATOM 334 O GLU A 26 53.864 131.512 66.754 1.00 0.00 O ATOM 335 CB GLU A 26 51.747 132.555 65.153 1.00 0.00 C ATOM 336 CG GLU A 26 51.092 133.638 64.289 1.00 0.00 C ATOM 337 CD GLU A 26 49.709 133.997 64.850 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.160 133.199 65.595 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.223 135.067 64.524 1.00 0.00 O ATOM 0 H GLU A 26 52.099 130.785 63.352 1.00 0.00 H new ATOM 0 HA GLU A 26 53.738 133.093 64.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.118 131.665 65.179 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.846 132.905 66.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.724 134.526 64.264 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.996 133.286 63.262 1.00 0.00 H new ATOM 346 N GLY A 27 54.584 130.315 65.049 1.00 0.00 N ATOM 347 CA GLY A 27 55.359 129.398 65.941 1.00 0.00 C ATOM 348 C GLY A 27 54.396 128.581 66.806 1.00 0.00 C ATOM 349 O GLY A 27 54.731 128.158 67.897 1.00 0.00 O ATOM 0 H GLY A 27 54.643 130.100 64.054 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.979 128.731 65.342 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.032 129.975 66.575 1.00 0.00 H new ATOM 353 N ARG A 28 53.202 128.357 66.323 1.00 0.00 N ATOM 354 CA ARG A 28 52.203 127.567 67.101 1.00 0.00 C ATOM 355 C ARG A 28 51.768 126.339 66.300 1.00 0.00 C ATOM 356 O ARG A 28 50.862 126.408 65.488 1.00 0.00 O ATOM 357 CB ARG A 28 51.028 128.520 67.318 1.00 0.00 C ATOM 358 CG ARG A 28 51.164 129.197 68.683 1.00 0.00 C ATOM 359 CD ARG A 28 49.986 130.150 68.901 1.00 0.00 C ATOM 360 NE ARG A 28 50.342 130.926 70.121 1.00 0.00 N ATOM 361 CZ ARG A 28 50.824 132.134 70.008 1.00 0.00 C ATOM 362 NH1 ARG A 28 50.100 133.077 69.471 1.00 0.00 N ATOM 363 NH2 ARG A 28 52.030 132.397 70.432 1.00 0.00 N ATOM 0 H ARG A 28 52.874 128.690 65.416 1.00 0.00 H new ATOM 0 HA ARG A 28 52.605 127.201 68.046 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.005 129.271 66.529 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.087 127.972 67.264 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.188 128.446 69.472 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.104 129.746 68.736 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.845 130.806 68.042 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.054 129.601 69.040 1.00 0.00 H new ATOM 0 HE ARG A 28 50.209 130.514 71.045 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.158 132.870 69.140 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.476 134.021 69.383 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.595 131.659 70.851 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.407 133.341 70.344 1.00 0.00 H new ATOM 377 N TYR A 29 52.399 125.213 66.528 1.00 46.07 N ATOM 378 CA TYR A 29 52.020 123.972 65.786 1.00 43.41 C ATOM 379 C TYR A 29 51.237 123.043 66.721 1.00 41.37 C ATOM 380 O TYR A 29 51.608 122.851 67.864 1.00 39.95 O ATOM 381 CB TYR A 29 53.342 123.319 65.366 1.00 43.56 C ATOM 382 CG TYR A 29 54.181 124.300 64.576 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.010 125.207 65.247 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.133 124.301 63.177 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.789 126.115 64.521 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.913 125.210 62.451 1.00 42.98 C ATOM 387 CZ TYR A 29 55.740 126.116 63.123 1.00 43.35 C ATOM 388 OH TYR A 29 56.509 127.011 62.406 1.00 43.13 O ATOM 0 H TYR A 29 53.161 125.101 67.197 1.00 46.07 H new ATOM 0 HA TYR A 29 51.391 124.182 64.921 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.890 122.989 66.249 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.143 122.432 64.764 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.048 125.206 66.326 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.495 123.601 62.658 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.428 126.815 65.040 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.876 125.211 61.372 1.00 42.98 H new ATOM 0 HH TYR A 29 55.964 127.788 62.162 1.00 43.13 H new ATOM 398 N ALA A 30 50.152 122.485 66.249 1.00 0.00 N ATOM 399 CA ALA A 30 49.339 121.586 67.125 1.00 0.00 C ATOM 400 C ALA A 30 49.336 120.151 66.590 1.00 0.00 C ATOM 401 O ALA A 30 48.914 119.894 65.480 1.00 0.00 O ATOM 402 CB ALA A 30 47.929 122.175 67.101 1.00 0.00 C ATOM 0 H ALA A 30 49.795 122.611 65.302 1.00 0.00 H new ATOM 0 HA ALA A 30 49.744 121.533 68.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.271 121.569 67.723 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.954 123.195 67.486 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.555 122.183 66.077 1.00 0.00 H new ATOM 408 N PHE A 31 49.794 119.214 67.382 1.00 36.58 N ATOM 409 CA PHE A 31 49.806 117.789 66.938 1.00 36.29 C ATOM 410 C PHE A 31 48.889 116.959 67.840 1.00 35.25 C ATOM 411 O PHE A 31 48.958 117.056 69.051 1.00 34.09 O ATOM 412 CB PHE A 31 51.254 117.324 67.097 1.00 36.39 C ATOM 413 CG PHE A 31 52.136 118.023 66.090 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.665 119.284 66.382 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.426 117.407 64.867 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.487 119.930 65.450 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.247 118.052 63.936 1.00 37.25 C ATOM 418 CZ PHE A 31 53.777 119.315 64.228 1.00 36.45 C ATOM 0 H PHE A 31 50.161 119.377 68.320 1.00 36.58 H new ATOM 0 HA PHE A 31 49.454 117.677 65.912 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.603 117.536 68.107 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.315 116.245 66.958 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.440 119.759 67.325 1.00 38.88 H new ATOM 0 HD2 PHE A 31 52.016 116.434 64.642 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.897 120.903 65.675 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.472 117.576 62.993 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.410 119.814 63.509 1.00 36.45 H new ATOM 428 N ALA A 32 48.050 116.130 67.271 1.00 34.06 N ATOM 429 CA ALA A 32 47.149 115.276 68.102 1.00 32.35 C ATOM 430 C ALA A 32 47.571 113.817 67.937 1.00 31.25 C ATOM 431 O ALA A 32 47.777 113.357 66.830 1.00 31.96 O ATOM 432 CB ALA A 32 45.748 115.496 67.535 1.00 32.65 C ATOM 0 H ALA A 32 47.951 116.008 66.263 1.00 34.06 H new ATOM 0 HA ALA A 32 47.188 115.521 69.163 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.030 114.899 68.097 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.484 116.551 67.615 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.728 115.196 66.487 1.00 32.65 H new ATOM 438 N TYR A 33 47.722 113.090 69.015 1.00 29.03 N ATOM 439 CA TYR A 33 48.156 111.664 68.882 1.00 27.15 C ATOM 440 C TYR A 33 47.203 110.719 69.620 1.00 26.72 C ATOM 441 O TYR A 33 46.680 111.042 70.670 1.00 28.24 O ATOM 442 CB TYR A 33 49.581 111.614 69.463 1.00 26.09 C ATOM 443 CG TYR A 33 49.574 111.801 70.968 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.394 113.072 71.523 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.766 110.695 71.804 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.400 113.236 72.913 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.776 110.859 73.192 1.00 25.85 C ATOM 448 CZ TYR A 33 49.593 112.129 73.749 1.00 27.60 C ATOM 449 OH TYR A 33 49.607 112.289 75.119 1.00 28.81 O ATOM 0 H TYR A 33 47.566 113.415 69.969 1.00 29.03 H new ATOM 0 HA TYR A 33 48.141 111.332 67.844 1.00 27.15 H new ATOM 0 HB2 TYR A 33 50.042 110.658 69.216 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.191 112.391 69.002 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.250 113.927 70.879 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.907 109.713 71.376 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.256 114.217 73.341 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.925 110.004 73.835 1.00 25.85 H new ATOM 0 HH TYR A 33 48.687 112.352 75.450 1.00 28.81 H new ATOM 459 N SER A 34 46.986 109.549 69.075 1.00 0.00 N ATOM 460 CA SER A 34 46.080 108.565 69.733 1.00 0.00 C ATOM 461 C SER A 34 46.916 107.471 70.398 1.00 0.00 C ATOM 462 O SER A 34 47.903 107.020 69.854 1.00 0.00 O ATOM 463 CB SER A 34 45.230 107.985 68.603 1.00 0.00 C ATOM 464 OG SER A 34 44.325 107.029 69.140 1.00 0.00 O ATOM 0 H SER A 34 47.400 109.233 68.198 1.00 0.00 H new ATOM 0 HA SER A 34 45.459 109.016 70.507 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.680 108.781 68.100 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.870 107.517 67.854 1.00 0.00 H new ATOM 0 HG SER A 34 43.777 106.656 68.418 1.00 0.00 H new ATOM 470 N ILE A 35 46.534 107.058 71.575 1.00 0.00 N ATOM 471 CA ILE A 35 47.307 106.005 72.301 1.00 0.00 C ATOM 472 C ILE A 35 46.550 104.677 72.334 1.00 0.00 C ATOM 473 O ILE A 35 45.369 104.620 72.629 1.00 0.00 O ATOM 474 CB ILE A 35 47.451 106.548 73.727 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.213 107.878 73.693 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.231 105.544 74.589 1.00 0.00 C ATOM 477 CD1 ILE A 35 48.269 108.474 75.100 1.00 0.00 C ATOM 0 H ILE A 35 45.713 107.406 72.071 1.00 0.00 H new ATOM 0 HA ILE A 35 48.263 105.807 71.816 1.00 0.00 H new ATOM 0 HB ILE A 35 46.459 106.701 74.153 1.00 0.00 H new ATOM 0 HG12 ILE A 35 49.223 107.721 73.314 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.721 108.573 73.012 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.331 105.934 75.602 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.695 104.595 74.617 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.221 105.389 74.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 48.811 109.419 75.073 1.00 0.00 H new ATOM 0 HD12 ILE A 35 47.256 108.647 75.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 48.780 107.781 75.768 1.00 0.00 H new ATOM 489 N ARG A 36 47.246 103.613 72.040 1.00 25.30 N ATOM 490 CA ARG A 36 46.617 102.266 72.052 1.00 25.64 C ATOM 491 C ARG A 36 47.393 101.342 72.994 1.00 23.79 C ATOM 492 O ARG A 36 48.419 100.795 72.644 1.00 25.11 O ATOM 493 CB ARG A 36 46.702 101.767 70.609 1.00 28.66 C ATOM 494 CG ARG A 36 45.753 102.581 69.729 1.00 34.24 C ATOM 495 CD ARG A 36 45.840 102.081 68.286 1.00 37.45 C ATOM 496 NE ARG A 36 44.888 102.935 67.525 1.00 40.12 N ATOM 497 CZ ARG A 36 45.021 103.070 66.233 1.00 40.24 C ATOM 498 NH1 ARG A 36 44.624 102.119 65.433 1.00 39.07 N ATOM 499 NH2 ARG A 36 45.552 104.157 65.742 1.00 39.81 N ATOM 0 H ARG A 36 48.235 103.622 71.789 1.00 25.30 H new ATOM 0 HA ARG A 36 45.586 102.291 72.404 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.724 101.859 70.241 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.440 100.710 70.563 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.731 102.489 70.096 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.014 103.638 69.775 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.853 102.175 67.896 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.568 101.028 68.216 1.00 37.45 H new ATOM 0 HE ARG A 36 44.132 103.415 68.013 1.00 40.12 H new ATOM 0 HH11 ARG A 36 44.210 101.270 65.817 1.00 39.07 H new ATOM 0 HH12 ARG A 36 44.728 102.225 64.424 1.00 39.07 H new ATOM 0 HH21 ARG A 36 45.863 104.900 66.368 1.00 39.81 H new ATOM 0 HH22 ARG A 36 45.656 104.263 64.733 1.00 39.81 H new ATOM 513 N ILE A 37 46.898 101.177 74.188 1.00 20.73 N ATOM 514 CA ILE A 37 47.575 100.302 75.191 1.00 18.17 C ATOM 515 C ILE A 37 47.040 98.870 75.101 1.00 17.71 C ATOM 516 O ILE A 37 45.876 98.619 75.343 1.00 15.34 O ATOM 517 CB ILE A 37 47.218 100.919 76.550 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.731 102.363 76.610 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.871 100.110 77.674 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.158 103.061 77.844 1.00 16.07 C ATOM 0 H ILE A 37 46.039 101.617 74.519 1.00 20.73 H new ATOM 0 HA ILE A 37 48.652 100.247 75.030 1.00 18.17 H new ATOM 0 HB ILE A 37 46.135 100.907 76.672 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.820 102.371 76.648 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.440 102.901 75.708 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.615 100.552 78.637 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.510 99.082 77.639 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.954 100.119 77.547 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.524 104.087 77.884 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.070 103.066 77.787 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.472 102.528 78.742 1.00 16.07 H new ATOM 532 N GLN A 38 47.888 97.928 74.775 1.00 0.00 N ATOM 533 CA GLN A 38 47.443 96.504 74.694 1.00 0.00 C ATOM 534 C GLN A 38 48.202 95.675 75.735 1.00 0.00 C ATOM 535 O GLN A 38 49.410 95.758 75.852 1.00 0.00 O ATOM 536 CB GLN A 38 47.780 96.049 73.272 1.00 0.00 C ATOM 537 CG GLN A 38 47.347 94.593 73.083 1.00 0.00 C ATOM 538 CD GLN A 38 47.684 94.140 71.661 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.754 94.426 71.159 1.00 0.00 O ATOM 540 NE2 GLN A 38 46.813 93.440 70.988 1.00 0.00 N ATOM 0 H GLN A 38 48.873 98.085 74.561 1.00 0.00 H new ATOM 0 HA GLN A 38 46.379 96.384 74.899 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.275 96.686 72.546 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.851 96.147 73.092 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.852 93.955 73.808 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.276 94.495 73.263 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.916 93.201 71.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.029 93.132 70.040 1.00 0.00 H new ATOM 549 N ASN A 39 47.488 94.883 76.495 1.00 15.86 N ATOM 550 CA ASN A 39 48.149 94.047 77.542 1.00 17.88 C ATOM 551 C ASN A 39 48.404 92.635 77.009 1.00 18.37 C ATOM 552 O ASN A 39 47.480 91.911 76.691 1.00 18.69 O ATOM 553 CB ASN A 39 47.177 94.024 78.721 1.00 19.10 C ATOM 554 CG ASN A 39 47.849 93.364 79.925 1.00 21.34 C ATOM 555 OD1 ASN A 39 47.478 92.277 80.323 1.00 20.99 O ATOM 556 ND2 ASN A 39 48.830 93.978 80.527 1.00 19.13 N ATOM 0 H ASN A 39 46.475 94.780 76.435 1.00 15.86 H new ATOM 0 HA ASN A 39 49.118 94.449 77.837 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.871 95.039 78.973 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.274 93.477 78.450 1.00 19.10 H new ATOM 0 HD21 ASN A 39 49.285 93.546 81.331 1.00 19.13 H new ATOM 0 HD22 ASN A 39 49.142 94.890 80.194 1.00 19.13 H new ATOM 563 N ALA A 40 49.646 92.231 76.922 1.00 0.00 N ATOM 564 CA ALA A 40 49.960 90.858 76.423 1.00 0.00 C ATOM 565 C ALA A 40 50.671 90.039 77.511 1.00 0.00 C ATOM 566 O ALA A 40 51.289 89.030 77.225 1.00 0.00 O ATOM 567 CB ALA A 40 50.877 91.069 75.219 1.00 0.00 C ATOM 0 H ALA A 40 50.458 92.794 77.176 1.00 0.00 H new ATOM 0 HA ALA A 40 49.060 90.305 76.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.151 90.102 74.797 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.357 91.660 74.465 1.00 0.00 H new ATOM 0 HB3 ALA A 40 51.777 91.596 75.535 1.00 0.00 H new ATOM 573 N GLY A 41 50.592 90.463 78.750 1.00 27.60 N ATOM 574 CA GLY A 41 51.266 89.707 79.849 1.00 28.62 C ATOM 575 C GLY A 41 50.389 88.527 80.270 1.00 29.10 C ATOM 576 O GLY A 41 49.305 88.334 79.752 1.00 28.18 O ATOM 0 H GLY A 41 50.090 91.300 79.046 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.240 89.349 79.514 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.444 90.364 80.701 1.00 28.62 H new ATOM 580 N ALA A 42 50.852 87.737 81.205 1.00 0.00 N ATOM 581 CA ALA A 42 50.052 86.562 81.666 1.00 0.00 C ATOM 582 C ALA A 42 49.091 86.979 82.777 1.00 0.00 C ATOM 583 O ALA A 42 47.944 86.576 82.808 1.00 0.00 O ATOM 584 CB ALA A 42 51.085 85.571 82.201 1.00 0.00 C ATOM 0 H ALA A 42 51.752 87.855 81.670 1.00 0.00 H new ATOM 0 HA ALA A 42 49.447 86.135 80.866 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.578 84.676 82.561 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.777 85.300 81.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.638 86.029 83.021 1.00 0.00 H new ATOM 590 N VAL A 43 49.565 87.780 83.688 1.00 0.00 N ATOM 591 CA VAL A 43 48.702 88.239 84.821 1.00 0.00 C ATOM 592 C VAL A 43 48.149 89.643 84.525 1.00 0.00 C ATOM 593 O VAL A 43 48.849 90.483 83.994 1.00 0.00 O ATOM 594 CB VAL A 43 49.633 88.247 86.041 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.888 88.758 87.276 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.131 86.824 86.306 1.00 0.00 C ATOM 0 H VAL A 43 50.519 88.141 83.700 1.00 0.00 H new ATOM 0 HA VAL A 43 47.837 87.597 84.984 1.00 0.00 H new ATOM 0 HB VAL A 43 50.476 88.907 85.838 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.561 88.758 88.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.534 89.772 87.093 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.038 88.108 87.483 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.793 86.826 87.172 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.280 86.171 86.501 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.675 86.461 85.434 1.00 0.00 H new ATOM 606 N PRO A 44 46.891 89.848 84.874 1.00 21.08 N ATOM 607 CA PRO A 44 46.272 91.186 84.608 1.00 21.01 C ATOM 608 C PRO A 44 47.118 92.327 85.188 1.00 21.95 C ATOM 609 O PRO A 44 47.749 92.188 86.221 1.00 21.40 O ATOM 610 CB PRO A 44 44.908 91.109 85.295 1.00 20.53 C ATOM 611 CG PRO A 44 45.082 90.067 86.340 1.00 18.90 C ATOM 612 CD PRO A 44 46.005 89.047 85.742 1.00 19.89 C ATOM 0 HA PRO A 44 46.195 91.398 83.542 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.628 92.068 85.732 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.122 90.838 84.590 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.504 90.492 87.251 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.126 89.620 86.611 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.568 88.517 86.510 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.458 88.296 85.172 1.00 19.89 H new ATOM 620 N ALA A 45 47.135 93.447 84.514 1.00 20.91 N ATOM 621 CA ALA A 45 47.939 94.609 84.992 1.00 19.47 C ATOM 622 C ALA A 45 47.190 95.928 84.776 1.00 19.21 C ATOM 623 O ALA A 45 46.375 96.062 83.880 1.00 19.53 O ATOM 624 CB ALA A 45 49.205 94.577 84.134 1.00 18.37 C ATOM 0 H ALA A 45 46.622 93.607 83.647 1.00 20.91 H new ATOM 0 HA ALA A 45 48.148 94.545 86.060 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.858 95.402 84.419 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.725 93.632 84.288 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.935 94.675 83.083 1.00 18.37 H new ATOM 630 N ARG A 46 47.474 96.901 85.599 1.00 0.00 N ATOM 631 CA ARG A 46 46.803 98.226 85.470 1.00 0.00 C ATOM 632 C ARG A 46 47.858 99.335 85.417 1.00 0.00 C ATOM 633 O ARG A 46 48.949 99.182 85.935 1.00 0.00 O ATOM 634 CB ARG A 46 45.933 98.356 86.728 1.00 0.00 C ATOM 635 CG ARG A 46 46.809 98.303 87.986 1.00 0.00 C ATOM 636 CD ARG A 46 45.930 98.468 89.228 1.00 0.00 C ATOM 637 NE ARG A 46 46.887 98.592 90.361 1.00 0.00 N ATOM 638 CZ ARG A 46 46.965 97.644 91.255 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.450 96.477 90.927 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.560 97.863 92.476 1.00 0.00 N ATOM 0 H ARG A 46 48.148 96.834 86.362 1.00 0.00 H new ATOM 0 HA ARG A 46 46.207 98.309 84.562 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.380 99.295 86.701 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.197 97.553 86.755 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.344 97.354 88.030 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.561 99.092 87.952 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.295 99.351 89.148 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.269 97.611 89.361 1.00 0.00 H new ATOM 0 HE ARG A 46 47.482 99.417 90.439 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.768 96.307 89.973 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.511 95.736 91.625 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.182 98.775 92.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.621 97.122 93.174 1.00 0.00 H new ATOM 654 N LEU A 47 47.544 100.449 84.805 1.00 0.00 N ATOM 655 CA LEU A 47 48.535 101.562 84.726 1.00 0.00 C ATOM 656 C LEU A 47 48.288 102.539 85.875 1.00 0.00 C ATOM 657 O LEU A 47 47.239 103.148 85.969 1.00 0.00 O ATOM 658 CB LEU A 47 48.279 102.235 83.377 1.00 0.00 C ATOM 659 CG LEU A 47 49.458 103.145 83.025 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.415 103.485 81.535 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.373 104.436 83.843 1.00 0.00 C ATOM 0 H LEU A 47 46.646 100.635 84.358 1.00 0.00 H new ATOM 0 HA LEU A 47 49.565 101.216 84.806 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.145 101.480 82.602 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.358 102.816 83.418 1.00 0.00 H new ATOM 0 HG LEU A 47 50.391 102.630 83.255 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.255 104.133 81.285 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.478 102.567 80.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.481 103.997 81.306 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.214 105.083 83.591 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.439 104.950 83.616 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.406 104.196 84.906 1.00 0.00 H new ATOM 673 N VAL A 48 49.246 102.681 86.752 1.00 0.00 N ATOM 674 CA VAL A 48 49.073 103.609 87.910 1.00 0.00 C ATOM 675 C VAL A 48 49.797 104.938 87.668 1.00 0.00 C ATOM 676 O VAL A 48 49.449 105.943 88.256 1.00 0.00 O ATOM 677 CB VAL A 48 49.671 102.876 89.116 1.00 0.00 C ATOM 678 CG1 VAL A 48 48.897 101.580 89.358 1.00 0.00 C ATOM 679 CG2 VAL A 48 51.141 102.545 88.852 1.00 0.00 C ATOM 0 H VAL A 48 50.142 102.195 86.717 1.00 0.00 H new ATOM 0 HA VAL A 48 48.024 103.858 88.067 1.00 0.00 H new ATOM 0 HB VAL A 48 49.600 103.518 89.994 1.00 0.00 H new ATOM 0 HG11 VAL A 48 49.321 101.058 90.215 1.00 0.00 H new ATOM 0 HG12 VAL A 48 47.851 101.813 89.556 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.966 100.944 88.475 1.00 0.00 H new ATOM 0 HG21 VAL A 48 51.557 102.024 89.714 1.00 0.00 H new ATOM 0 HG22 VAL A 48 51.218 101.907 87.971 1.00 0.00 H new ATOM 0 HG23 VAL A 48 51.697 103.467 88.682 1.00 0.00 H new ATOM 689 N ALA A 49 50.812 104.954 86.831 1.00 0.00 N ATOM 690 CA ALA A 49 51.547 106.239 86.598 1.00 0.00 C ATOM 691 C ALA A 49 51.977 106.400 85.135 1.00 0.00 C ATOM 692 O ALA A 49 52.007 105.457 84.368 1.00 0.00 O ATOM 693 CB ALA A 49 52.772 106.163 87.511 1.00 0.00 C ATOM 0 H ALA A 49 51.157 104.148 86.309 1.00 0.00 H new ATOM 0 HA ALA A 49 50.913 107.099 86.814 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.366 107.070 87.399 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.448 106.066 88.547 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.376 105.298 87.238 1.00 0.00 H new ATOM 699 N ARG A 50 52.311 107.608 84.758 1.00 18.13 N ATOM 700 CA ARG A 50 52.751 107.892 83.359 1.00 20.89 C ATOM 701 C ARG A 50 53.883 108.929 83.351 1.00 22.46 C ATOM 702 O ARG A 50 53.873 109.887 84.099 1.00 23.35 O ATOM 703 CB ARG A 50 51.503 108.448 82.657 1.00 21.09 C ATOM 704 CG ARG A 50 51.065 109.768 83.305 1.00 22.20 C ATOM 705 CD ARG A 50 49.682 110.161 82.779 1.00 26.75 C ATOM 706 NE ARG A 50 49.945 111.211 81.757 1.00 26.68 N ATOM 707 CZ ARG A 50 49.762 112.469 82.052 1.00 28.58 C ATOM 708 NH1 ARG A 50 50.501 113.039 82.964 1.00 29.05 N ATOM 709 NH2 ARG A 50 48.841 113.158 81.436 1.00 27.75 N ATOM 0 H ARG A 50 52.297 108.423 85.371 1.00 18.13 H new ATOM 0 HA ARG A 50 53.139 107.003 82.861 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.714 108.608 81.600 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.692 107.721 82.714 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.036 109.661 84.389 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.788 110.553 83.081 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.167 109.305 82.343 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.048 110.540 83.580 1.00 26.75 H new ATOM 0 HE ARG A 50 50.268 110.947 80.826 1.00 26.68 H new ATOM 0 HH11 ARG A 50 51.221 112.501 83.446 1.00 29.05 H new ATOM 0 HH12 ARG A 50 50.358 114.022 83.195 1.00 29.05 H new ATOM 0 HH21 ARG A 50 48.263 112.713 80.723 1.00 27.75 H new ATOM 0 HH22 ARG A 50 48.699 114.141 81.668 1.00 27.75 H new ATOM 723 N HIS A 51 54.858 108.729 82.500 1.00 22.89 N ATOM 724 CA HIS A 51 56.007 109.678 82.417 1.00 23.99 C ATOM 725 C HIS A 51 56.473 109.804 80.961 1.00 24.58 C ATOM 726 O HIS A 51 56.981 108.868 80.375 1.00 24.14 O ATOM 727 CB HIS A 51 57.089 109.057 83.306 1.00 22.92 C ATOM 728 CG HIS A 51 58.348 109.883 83.257 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.572 109.385 83.673 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.589 111.168 82.838 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.486 110.356 83.498 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.939 111.464 82.992 1.00 25.48 N ATOM 0 H HIS A 51 54.906 107.941 81.854 1.00 22.89 H new ATOM 0 HA HIS A 51 55.754 110.686 82.746 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.730 108.990 84.333 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.301 108.040 82.975 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.748 108.452 84.045 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.844 111.846 82.448 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.534 110.252 83.737 1.00 26.28 H new ATOM 740 N TRP A 52 56.291 110.962 80.379 1.00 24.73 N ATOM 741 CA TRP A 52 56.703 111.181 78.958 1.00 24.73 C ATOM 742 C TRP A 52 58.002 111.992 78.867 1.00 25.24 C ATOM 743 O TRP A 52 58.181 112.984 79.548 1.00 25.25 O ATOM 744 CB TRP A 52 55.552 111.980 78.345 1.00 22.37 C ATOM 745 CG TRP A 52 54.481 111.048 77.882 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.311 110.824 78.520 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.470 110.205 76.694 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.579 109.898 77.798 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.252 109.488 76.662 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.388 109.999 75.648 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.955 108.596 75.632 1.00 19.14 C ATOM 752 CZ3 TRP A 52 55.093 109.102 74.609 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.878 108.402 74.601 1.00 18.33 C ATOM 0 H TRP A 52 55.870 111.773 80.832 1.00 24.73 H new ATOM 0 HA TRP A 52 56.892 110.237 78.447 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.148 112.676 79.080 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.916 112.576 77.508 1.00 22.37 H new ATOM 0 HD1 TRP A 52 52.999 111.291 79.442 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.656 109.559 78.070 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.326 110.534 75.644 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 52.018 108.059 75.631 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.806 108.950 73.812 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.656 107.714 73.799 1.00 18.33 H new ATOM 764 N GLN A 53 58.899 111.572 78.014 1.00 0.00 N ATOM 765 CA GLN A 53 60.192 112.299 77.838 1.00 0.00 C ATOM 766 C GLN A 53 60.260 112.857 76.414 1.00 0.00 C ATOM 767 O GLN A 53 60.838 112.253 75.529 1.00 0.00 O ATOM 768 CB GLN A 53 61.273 111.238 78.047 1.00 0.00 C ATOM 769 CG GLN A 53 61.309 110.826 79.520 1.00 0.00 C ATOM 770 CD GLN A 53 62.391 109.764 79.729 1.00 0.00 C ATOM 771 OE1 GLN A 53 62.101 108.652 80.119 1.00 0.00 O ATOM 772 NE2 GLN A 53 63.637 110.065 79.485 1.00 0.00 N ATOM 0 H GLN A 53 58.790 110.747 77.425 1.00 0.00 H new ATOM 0 HA GLN A 53 60.309 113.134 78.529 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.070 110.369 77.421 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.244 111.629 77.744 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.512 111.695 80.146 1.00 0.00 H new ATOM 0 HG3 GLN A 53 60.338 110.435 79.823 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.881 111.000 79.157 1.00 0.00 H new ATOM 0 HE22 GLN A 53 64.367 109.366 79.622 1.00 0.00 H new ATOM 781 N ILE A 54 59.647 113.992 76.180 1.00 28.56 N ATOM 782 CA ILE A 54 59.645 114.578 74.801 1.00 31.69 C ATOM 783 C ILE A 54 60.935 115.375 74.522 1.00 31.35 C ATOM 784 O ILE A 54 61.312 116.261 75.263 1.00 31.20 O ATOM 785 CB ILE A 54 58.370 115.472 74.716 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.558 116.799 75.472 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.155 114.731 75.298 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.352 117.708 75.213 1.00 36.11 C ATOM 0 H ILE A 54 59.148 114.538 76.883 1.00 28.56 H new ATOM 0 HA ILE A 54 59.622 113.800 74.038 1.00 31.69 H new ATOM 0 HB ILE A 54 58.200 115.692 73.662 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.662 116.610 76.540 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.474 117.290 75.145 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.274 115.369 75.231 1.00 31.08 H new ATOM 0 HG22 ILE A 54 56.983 113.814 74.734 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.346 114.484 76.342 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.484 118.649 75.748 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.269 117.907 74.145 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.444 117.216 75.562 1.00 36.11 H new ATOM 800 N THR A 55 61.600 115.060 73.439 1.00 32.39 N ATOM 801 CA THR A 55 62.847 115.796 73.064 1.00 32.79 C ATOM 802 C THR A 55 62.660 116.402 71.671 1.00 33.98 C ATOM 803 O THR A 55 62.238 115.737 70.741 1.00 33.62 O ATOM 804 CB THR A 55 63.975 114.762 73.087 1.00 32.44 C ATOM 805 OG1 THR A 55 64.082 114.212 74.393 1.00 30.14 O ATOM 806 CG2 THR A 55 65.302 115.420 72.694 1.00 31.51 C ATOM 0 H THR A 55 61.330 114.318 72.793 1.00 32.39 H new ATOM 0 HA THR A 55 63.079 116.614 73.747 1.00 32.79 H new ATOM 0 HB THR A 55 63.750 113.970 72.373 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.803 113.548 74.410 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.097 114.675 72.714 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.219 115.835 71.690 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.535 116.218 73.399 1.00 31.51 H new ATOM 814 N ASP A 56 62.952 117.674 71.535 1.00 36.19 N ATOM 815 CA ASP A 56 62.769 118.352 70.217 1.00 38.66 C ATOM 816 C ASP A 56 64.049 118.295 69.373 1.00 38.50 C ATOM 817 O ASP A 56 65.103 117.904 69.835 1.00 37.75 O ATOM 818 CB ASP A 56 62.402 119.797 70.560 1.00 41.21 C ATOM 819 CG ASP A 56 61.842 120.494 69.318 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.632 120.886 68.476 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.632 120.625 69.232 1.00 45.04 O ATOM 0 H ASP A 56 63.309 118.270 72.282 1.00 36.19 H new ATOM 0 HA ASP A 56 61.999 117.865 69.619 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.665 119.815 71.363 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.281 120.330 70.923 1.00 41.21 H new ATOM 826 N GLY A 57 63.940 118.673 68.126 1.00 37.51 N ATOM 827 CA GLY A 57 65.111 118.646 67.195 1.00 38.01 C ATOM 828 C GLY A 57 66.227 119.616 67.629 1.00 39.47 C ATOM 829 O GLY A 57 67.293 119.614 67.042 1.00 38.99 O ATOM 0 H GLY A 57 63.073 119.006 67.704 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.511 117.633 67.148 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.779 118.905 66.190 1.00 38.01 H new ATOM 833 N ASN A 58 66.022 120.427 68.646 1.00 0.00 N ATOM 834 CA ASN A 58 67.117 121.355 69.082 1.00 0.00 C ATOM 835 C ASN A 58 67.849 120.790 70.316 1.00 0.00 C ATOM 836 O ASN A 58 68.719 121.431 70.874 1.00 0.00 O ATOM 837 CB ASN A 58 66.425 122.679 69.410 1.00 0.00 C ATOM 838 CG ASN A 58 67.466 123.798 69.467 1.00 0.00 C ATOM 839 OD1 ASN A 58 68.506 123.710 68.844 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.228 124.856 70.193 1.00 0.00 N ATOM 0 H ASN A 58 65.158 120.485 69.184 1.00 0.00 H new ATOM 0 HA ASN A 58 67.874 121.483 68.308 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.673 122.906 68.654 1.00 0.00 H new ATOM 0 HB3 ASN A 58 65.905 122.603 70.365 1.00 0.00 H new ATOM 0 HD21 ASN A 58 67.915 125.609 70.238 1.00 0.00 H new ATOM 0 HD22 ASN A 58 66.355 124.930 70.716 1.00 0.00 H new ATOM 847 N GLY A 59 67.517 119.587 70.728 1.00 0.00 N ATOM 848 CA GLY A 59 68.204 118.969 71.903 1.00 0.00 C ATOM 849 C GLY A 59 67.447 119.274 73.200 1.00 0.00 C ATOM 850 O GLY A 59 67.511 118.511 74.147 1.00 0.00 O ATOM 0 H GLY A 59 66.797 119.007 70.297 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.274 117.890 71.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.224 119.348 71.974 1.00 0.00 H new ATOM 854 N ARG A 60 66.729 120.371 73.259 1.00 49.10 N ATOM 855 CA ARG A 60 65.972 120.698 74.510 1.00 50.05 C ATOM 856 C ARG A 60 64.914 119.622 74.754 1.00 49.79 C ATOM 857 O ARG A 60 64.304 119.129 73.822 1.00 48.27 O ATOM 858 CB ARG A 60 65.310 122.058 74.243 1.00 52.38 C ATOM 859 CG ARG A 60 66.018 123.156 75.052 1.00 55.08 C ATOM 860 CD ARG A 60 66.849 124.039 74.116 1.00 57.97 C ATOM 861 NE ARG A 60 65.865 124.626 73.163 1.00 60.72 N ATOM 862 CZ ARG A 60 65.344 125.799 73.402 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.995 126.882 73.074 1.00 62.78 N ATOM 864 NH2 ARG A 60 64.172 125.888 73.968 1.00 61.80 N ATOM 0 H ARG A 60 66.635 121.049 72.502 1.00 49.10 H new ATOM 0 HA ARG A 60 66.613 120.736 75.391 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.356 122.292 73.179 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.255 122.018 74.515 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.282 123.762 75.580 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.661 122.705 75.808 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.374 124.817 74.670 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.606 123.455 73.592 1.00 57.97 H new ATOM 0 HE ARG A 60 65.598 124.111 72.324 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.911 126.812 72.631 1.00 62.78 H new ATOM 0 HH12 ARG A 60 65.588 127.798 73.261 1.00 62.78 H new ATOM 0 HH21 ARG A 60 63.663 125.042 74.223 1.00 61.80 H new ATOM 0 HH22 ARG A 60 63.764 126.804 74.155 1.00 61.80 H new ATOM 878 N THR A 61 64.697 119.239 75.990 1.00 0.00 N ATOM 879 CA THR A 61 63.681 118.176 76.261 1.00 0.00 C ATOM 880 C THR A 61 62.773 118.581 77.423 1.00 0.00 C ATOM 881 O THR A 61 63.185 119.292 78.321 1.00 0.00 O ATOM 882 CB THR A 61 64.486 116.923 76.625 1.00 0.00 C ATOM 883 OG1 THR A 61 65.190 117.154 77.838 1.00 0.00 O ATOM 884 CG2 THR A 61 65.484 116.596 75.510 1.00 0.00 C ATOM 0 H THR A 61 65.173 119.611 76.812 1.00 0.00 H new ATOM 0 HA THR A 61 63.036 118.009 75.399 1.00 0.00 H new ATOM 0 HB THR A 61 63.804 116.082 76.748 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.705 116.354 78.075 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.051 115.704 75.779 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.945 116.417 74.580 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.168 117.434 75.377 1.00 0.00 H new ATOM 892 N GLU A 62 61.545 118.130 77.417 1.00 0.00 N ATOM 893 CA GLU A 62 60.611 118.480 78.525 1.00 0.00 C ATOM 894 C GLU A 62 60.101 117.200 79.190 1.00 0.00 C ATOM 895 O GLU A 62 59.524 116.339 78.550 1.00 0.00 O ATOM 896 CB GLU A 62 59.463 119.239 77.859 1.00 0.00 C ATOM 897 CG GLU A 62 59.963 120.605 77.383 1.00 0.00 C ATOM 898 CD GLU A 62 60.327 121.466 78.593 1.00 0.00 C ATOM 899 OE1 GLU A 62 59.450 121.716 79.404 1.00 0.00 O ATOM 900 OE2 GLU A 62 61.478 121.863 78.690 1.00 0.00 O ATOM 0 H GLU A 62 61.150 117.533 76.690 1.00 0.00 H new ATOM 0 HA GLU A 62 61.088 119.079 79.301 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.076 118.667 77.016 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.640 119.366 78.563 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.832 120.481 76.737 1.00 0.00 H new ATOM 0 HG3 GLU A 62 59.193 121.099 76.790 1.00 0.00 H new ATOM 907 N GLN A 63 60.328 117.067 80.470 1.00 0.00 N ATOM 908 CA GLN A 63 59.879 115.843 81.193 1.00 0.00 C ATOM 909 C GLN A 63 58.583 116.113 81.961 1.00 0.00 C ATOM 910 O GLN A 63 58.444 117.125 82.623 1.00 0.00 O ATOM 911 CB GLN A 63 61.014 115.544 82.173 1.00 0.00 C ATOM 912 CG GLN A 63 60.799 114.165 82.796 1.00 0.00 C ATOM 913 CD GLN A 63 61.932 113.867 83.779 1.00 0.00 C ATOM 914 OE1 GLN A 63 62.564 112.728 83.703 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 62.244 114.679 84.628 1.00 0.00 N flip ATOM 0 H GLN A 63 60.807 117.757 81.048 1.00 0.00 H new ATOM 0 HA GLN A 63 59.676 115.015 80.514 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.973 115.576 81.656 1.00 0.00 H new ATOM 0 HB3 GLN A 63 61.046 116.306 82.952 1.00 0.00 H new ATOM 0 HG2 GLN A 63 59.839 114.132 83.311 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.769 113.403 82.017 1.00 0.00 H new ATOM 0 HE21 GLN A 63 61.750 115.570 84.688 1.00 0.00 H new ATOM 0 HE22 GLN A 63 63.000 114.470 85.281 1.00 0.00 H new ATOM 924 N VAL A 64 57.637 115.215 81.871 1.00 37.94 N ATOM 925 CA VAL A 64 56.342 115.412 82.590 1.00 37.05 C ATOM 926 C VAL A 64 55.999 114.167 83.413 1.00 36.89 C ATOM 927 O VAL A 64 56.028 113.052 82.928 1.00 36.32 O ATOM 928 CB VAL A 64 55.301 115.655 81.493 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.923 115.871 82.128 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.686 116.900 80.689 1.00 35.74 C ATOM 0 H VAL A 64 57.705 114.353 81.330 1.00 37.94 H new ATOM 0 HA VAL A 64 56.381 116.246 83.290 1.00 37.05 H new ATOM 0 HB VAL A 64 55.266 114.788 80.833 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.185 116.044 81.345 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.644 114.987 82.701 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.959 116.736 82.790 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.945 117.073 79.908 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.723 117.764 81.352 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.665 116.751 80.233 1.00 35.74 H new ATOM 940 N ASP A 65 55.678 114.367 84.664 1.00 0.00 N ATOM 941 CA ASP A 65 55.330 113.228 85.562 1.00 0.00 C ATOM 942 C ASP A 65 53.961 113.471 86.201 1.00 0.00 C ATOM 943 O ASP A 65 53.725 114.504 86.799 1.00 0.00 O ATOM 944 CB ASP A 65 56.421 113.226 86.633 1.00 0.00 C ATOM 945 CG ASP A 65 57.747 112.785 86.014 1.00 0.00 C ATOM 946 OD1 ASP A 65 57.766 111.739 85.387 1.00 0.00 O ATOM 947 OD2 ASP A 65 58.723 113.499 86.177 1.00 0.00 O ATOM 0 H ASP A 65 55.642 115.285 85.107 1.00 0.00 H new ATOM 0 HA ASP A 65 55.276 112.278 85.030 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.523 114.222 87.064 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.146 112.553 87.445 1.00 0.00 H new ATOM 952 N GLY A 66 53.061 112.528 86.085 1.00 31.82 N ATOM 953 CA GLY A 66 51.709 112.704 86.690 1.00 29.07 C ATOM 954 C GLY A 66 51.156 111.342 87.109 1.00 27.67 C ATOM 955 O GLY A 66 51.409 110.337 86.471 1.00 27.18 O ATOM 0 H GLY A 66 53.205 111.644 85.597 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.769 113.365 87.554 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.037 113.176 85.973 1.00 29.07 H new ATOM 959 N GLU A 67 50.403 111.304 88.178 1.00 0.00 N ATOM 960 CA GLU A 67 49.826 110.008 88.649 1.00 0.00 C ATOM 961 C GLU A 67 48.714 109.550 87.703 1.00 0.00 C ATOM 962 O GLU A 67 48.079 110.350 87.043 1.00 0.00 O ATOM 963 CB GLU A 67 49.258 110.301 90.040 1.00 0.00 C ATOM 964 CG GLU A 67 48.767 108.998 90.676 1.00 0.00 C ATOM 965 CD GLU A 67 49.956 108.067 90.929 1.00 0.00 C ATOM 966 OE1 GLU A 67 51.036 108.572 91.194 1.00 0.00 O ATOM 967 OE2 GLU A 67 49.767 106.864 90.852 1.00 0.00 O ATOM 0 H GLU A 67 50.162 112.116 88.747 1.00 0.00 H new ATOM 0 HA GLU A 67 50.571 109.213 88.675 1.00 0.00 H new ATOM 0 HB2 GLU A 67 50.023 110.759 90.668 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.437 111.014 89.966 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.253 109.211 91.614 1.00 0.00 H new ATOM 0 HG3 GLU A 67 48.045 108.511 90.020 1.00 0.00 H new ATOM 974 N GLY A 68 48.464 108.265 87.643 1.00 22.62 N ATOM 975 CA GLY A 68 47.382 107.728 86.758 1.00 22.36 C ATOM 976 C GLY A 68 47.505 108.279 85.332 1.00 20.38 C ATOM 977 O GLY A 68 48.474 108.924 84.980 1.00 21.93 O ATOM 0 H GLY A 68 48.969 107.557 88.176 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.434 106.639 86.735 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.408 107.992 87.170 1.00 22.36 H new ATOM 981 N VAL A 69 46.512 108.031 84.524 1.00 17.51 N ATOM 982 CA VAL A 69 46.516 108.532 83.115 1.00 15.40 C ATOM 983 C VAL A 69 45.192 109.236 82.830 1.00 17.02 C ATOM 984 O VAL A 69 44.131 108.706 83.074 1.00 17.35 O ATOM 985 CB VAL A 69 46.686 107.300 82.211 1.00 12.26 C ATOM 986 CG1 VAL A 69 48.112 106.768 82.343 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.692 106.199 82.604 1.00 8.21 C ATOM 0 H VAL A 69 45.684 107.494 84.782 1.00 17.51 H new ATOM 0 HA VAL A 69 47.320 109.246 82.938 1.00 15.40 H new ATOM 0 HB VAL A 69 46.492 107.593 81.179 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.235 105.894 81.703 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.818 107.541 82.041 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.301 106.488 83.379 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.829 105.336 81.952 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.866 105.904 83.639 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.674 106.574 82.501 1.00 8.21 H new ATOM 997 N VAL A 70 45.271 110.446 82.333 1.00 17.68 N ATOM 998 CA VAL A 70 44.055 111.278 82.020 1.00 16.81 C ATOM 999 C VAL A 70 42.984 111.150 83.127 1.00 17.08 C ATOM 1000 O VAL A 70 41.797 111.235 82.879 1.00 16.77 O ATOM 1001 CB VAL A 70 43.537 110.823 80.638 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.678 110.862 79.614 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.968 109.405 80.711 1.00 20.55 C ATOM 0 H VAL A 70 46.155 110.910 82.123 1.00 17.68 H new ATOM 0 HA VAL A 70 44.307 112.338 81.987 1.00 16.81 H new ATOM 0 HB VAL A 70 42.744 111.504 80.330 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.305 110.540 78.642 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.063 111.879 79.536 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.478 110.195 79.935 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.609 109.106 79.726 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.747 108.717 81.038 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.141 109.381 81.421 1.00 20.55 H new ATOM 1013 N GLY A 71 43.424 110.991 84.353 1.00 17.30 N ATOM 1014 CA GLY A 71 42.482 110.906 85.514 1.00 16.44 C ATOM 1015 C GLY A 71 41.931 109.487 85.742 1.00 18.03 C ATOM 1016 O GLY A 71 40.926 109.328 86.411 1.00 18.29 O ATOM 0 H GLY A 71 44.410 110.915 84.601 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.995 111.239 86.416 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.650 111.590 85.350 1.00 16.44 H new ATOM 1020 N GLU A 72 42.559 108.459 85.216 1.00 0.00 N ATOM 1021 CA GLU A 72 42.017 107.077 85.455 1.00 0.00 C ATOM 1022 C GLU A 72 43.123 106.017 85.547 1.00 0.00 C ATOM 1023 O GLU A 72 44.166 106.119 84.935 1.00 0.00 O ATOM 1024 CB GLU A 72 41.088 106.780 84.275 1.00 0.00 C ATOM 1025 CG GLU A 72 41.867 106.855 82.966 1.00 0.00 C ATOM 1026 CD GLU A 72 41.009 106.295 81.830 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.876 105.084 81.758 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.501 107.086 81.053 1.00 0.00 O ATOM 0 H GLU A 72 43.403 108.511 84.645 1.00 0.00 H new ATOM 0 HA GLU A 72 41.495 107.039 86.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.647 105.790 84.389 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.266 107.495 84.260 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.143 107.888 82.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.794 106.288 83.049 1.00 0.00 H new ATOM 1035 N GLN A 73 42.865 104.985 86.309 1.00 13.09 N ATOM 1036 CA GLN A 73 43.838 103.864 86.478 1.00 15.45 C ATOM 1037 C GLN A 73 43.203 102.584 85.906 1.00 15.30 C ATOM 1038 O GLN A 73 42.780 101.716 86.646 1.00 16.40 O ATOM 1039 CB GLN A 73 44.023 103.738 87.993 1.00 18.12 C ATOM 1040 CG GLN A 73 44.813 104.942 88.511 1.00 18.21 C ATOM 1041 CD GLN A 73 44.787 104.949 90.041 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.036 103.939 90.669 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.496 106.054 90.670 1.00 14.04 N ATOM 0 H GLN A 73 41.998 104.870 86.834 1.00 13.09 H new ATOM 0 HA GLN A 73 44.788 104.029 85.970 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.052 103.687 88.486 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.550 102.814 88.230 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.842 104.896 88.154 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.383 105.866 88.125 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.287 106.901 90.142 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.477 106.071 91.690 1.00 14.04 H new ATOM 1052 N PRO A 74 43.127 102.527 84.593 1.00 15.25 N ATOM 1053 CA PRO A 74 42.486 101.339 83.949 1.00 16.63 C ATOM 1054 C PRO A 74 43.127 100.018 84.394 1.00 17.41 C ATOM 1055 O PRO A 74 44.328 99.917 84.563 1.00 17.61 O ATOM 1056 CB PRO A 74 42.712 101.560 82.456 1.00 16.18 C ATOM 1057 CG PRO A 74 43.916 102.433 82.378 1.00 16.38 C ATOM 1058 CD PRO A 74 43.894 103.305 83.601 1.00 13.89 C ATOM 0 HA PRO A 74 41.434 101.256 84.222 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.874 100.616 81.937 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.848 102.035 81.991 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.827 101.835 82.345 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.898 103.037 81.471 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.903 103.517 83.956 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.420 104.265 83.396 1.00 13.89 H new ATOM 1066 N TRP A 75 42.318 99.002 84.561 1.00 0.00 N ATOM 1067 CA TRP A 75 42.840 97.664 84.970 1.00 0.00 C ATOM 1068 C TRP A 75 42.898 96.759 83.738 1.00 0.00 C ATOM 1069 O TRP A 75 42.050 95.910 83.537 1.00 0.00 O ATOM 1070 CB TRP A 75 41.821 97.135 85.982 1.00 0.00 C ATOM 1071 CG TRP A 75 42.484 96.157 86.899 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.298 96.486 87.928 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.403 94.702 86.890 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.723 95.326 88.550 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.197 94.200 87.948 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.722 93.778 86.076 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.314 92.830 88.188 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.838 92.400 86.316 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.631 91.927 87.369 1.00 0.00 C ATOM 0 H TRP A 75 41.307 99.044 84.430 1.00 0.00 H new ATOM 0 HA TRP A 75 43.841 97.706 85.398 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.402 97.961 86.557 1.00 0.00 H new ATOM 0 HB3 TRP A 75 40.992 96.656 85.461 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.571 97.490 88.217 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.349 95.305 89.355 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.107 94.131 85.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.928 92.471 89.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.312 91.700 85.684 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.715 90.865 87.548 1.00 0.00 H new ATOM 1090 N LEU A 76 43.881 96.958 82.899 1.00 18.07 N ATOM 1091 CA LEU A 76 43.992 96.139 81.654 1.00 17.96 C ATOM 1092 C LEU A 76 44.174 94.652 81.963 1.00 19.47 C ATOM 1093 O LEU A 76 45.159 94.243 82.547 1.00 20.57 O ATOM 1094 CB LEU A 76 45.221 96.677 80.920 1.00 16.79 C ATOM 1095 CG LEU A 76 44.795 97.746 79.913 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.037 98.342 79.253 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.907 97.116 78.837 1.00 15.14 C ATOM 0 H LEU A 76 44.615 97.655 83.023 1.00 18.07 H new ATOM 0 HA LEU A 76 43.082 96.216 81.059 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.928 97.099 81.635 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.734 95.864 80.406 1.00 16.79 H new ATOM 0 HG LEU A 76 44.240 98.528 80.430 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.737 99.105 78.534 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.673 98.792 80.015 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.588 97.555 78.738 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.605 97.880 78.121 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.462 96.333 78.320 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.021 96.685 79.303 1.00 15.14 H new ATOM 1109 N ARG A 77 43.238 93.843 81.540 1.00 0.00 N ATOM 1110 CA ARG A 77 43.348 92.373 81.762 1.00 0.00 C ATOM 1111 C ARG A 77 44.126 91.760 80.592 1.00 0.00 C ATOM 1112 O ARG A 77 44.208 92.363 79.538 1.00 0.00 O ATOM 1113 CB ARG A 77 41.906 91.862 81.783 1.00 0.00 C ATOM 1114 CG ARG A 77 41.345 91.974 83.201 1.00 0.00 C ATOM 1115 CD ARG A 77 39.816 91.905 83.153 1.00 0.00 C ATOM 1116 NE ARG A 77 39.503 90.468 82.924 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.450 89.932 83.480 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.525 89.452 84.691 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.323 89.877 82.826 1.00 0.00 N ATOM 0 H ARG A 77 42.396 94.141 81.047 1.00 0.00 H new ATOM 0 HA ARG A 77 43.870 92.114 82.683 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.294 92.441 81.092 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.872 90.825 81.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.736 91.169 83.823 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.663 92.912 83.656 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.375 92.262 84.084 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.418 92.528 82.352 1.00 0.00 H new ATOM 0 HE ARG A 77 40.111 89.902 82.333 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.406 89.496 85.203 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.703 89.033 85.125 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.264 90.253 81.880 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.501 89.458 83.261 1.00 0.00 H new ATOM 1133 N PRO A 78 44.684 90.588 80.805 1.00 23.86 N ATOM 1134 CA PRO A 78 45.462 89.958 79.692 1.00 24.22 C ATOM 1135 C PRO A 78 44.617 89.860 78.412 1.00 24.36 C ATOM 1136 O PRO A 78 43.506 89.365 78.418 1.00 22.27 O ATOM 1137 CB PRO A 78 45.825 88.575 80.222 1.00 25.39 C ATOM 1138 CG PRO A 78 44.786 88.277 81.247 1.00 27.04 C ATOM 1139 CD PRO A 78 44.382 89.595 81.853 1.00 25.13 C ATOM 0 HA PRO A 78 46.342 90.540 79.419 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.819 87.832 79.425 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.824 88.568 80.657 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.928 87.780 80.794 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.178 87.604 82.010 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.324 89.604 82.116 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.939 89.800 82.767 1.00 25.13 H new ATOM 1147 N GLY A 79 45.158 90.328 77.315 1.00 24.74 N ATOM 1148 CA GLY A 79 44.419 90.272 76.019 1.00 23.79 C ATOM 1149 C GLY A 79 43.570 91.537 75.816 1.00 23.44 C ATOM 1150 O GLY A 79 43.166 91.840 74.709 1.00 22.44 O ATOM 0 H GLY A 79 46.086 90.749 77.263 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.127 90.168 75.197 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.777 89.391 76.000 1.00 23.79 H new ATOM 1154 N GLU A 80 43.299 92.284 76.864 1.00 23.31 N ATOM 1155 CA GLU A 80 42.480 93.528 76.709 1.00 21.90 C ATOM 1156 C GLU A 80 43.376 94.718 76.357 1.00 20.95 C ATOM 1157 O GLU A 80 44.584 94.660 76.495 1.00 19.52 O ATOM 1158 CB GLU A 80 41.811 93.746 78.066 1.00 23.06 C ATOM 1159 CG GLU A 80 40.597 94.664 77.895 1.00 23.88 C ATOM 1160 CD GLU A 80 39.852 94.800 79.228 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.953 93.895 80.042 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.190 95.808 79.412 1.00 25.91 O ATOM 0 H GLU A 80 43.609 92.085 77.815 1.00 23.31 H new ATOM 0 HA GLU A 80 41.748 93.434 75.907 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.501 92.790 78.488 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.520 94.189 78.766 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.919 95.645 77.547 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.929 94.259 77.135 1.00 23.88 H new ATOM 1169 N ALA A 81 42.788 95.797 75.899 1.00 0.00 N ATOM 1170 CA ALA A 81 43.594 96.997 75.528 1.00 0.00 C ATOM 1171 C ALA A 81 42.819 98.281 75.856 1.00 0.00 C ATOM 1172 O ALA A 81 41.606 98.319 75.786 1.00 0.00 O ATOM 1173 CB ALA A 81 43.824 96.874 74.022 1.00 0.00 C ATOM 0 H ALA A 81 41.781 95.896 75.767 1.00 0.00 H new ATOM 0 HA ALA A 81 44.534 97.048 76.078 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.412 97.723 73.673 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.361 95.949 73.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.863 96.862 73.507 1.00 0.00 H new ATOM 1179 N PHE A 82 43.520 99.334 76.195 1.00 18.56 N ATOM 1180 CA PHE A 82 42.847 100.629 76.510 1.00 17.00 C ATOM 1181 C PHE A 82 43.303 101.690 75.500 1.00 16.61 C ATOM 1182 O PHE A 82 44.446 101.692 75.084 1.00 15.77 O ATOM 1183 CB PHE A 82 43.311 100.985 77.925 1.00 13.41 C ATOM 1184 CG PHE A 82 42.695 102.299 78.346 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.375 102.335 78.811 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.443 103.481 78.269 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.802 103.552 79.198 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.868 104.697 78.655 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.548 104.733 79.120 1.00 9.06 C ATOM 0 H PHE A 82 44.537 99.351 76.267 1.00 18.56 H new ATOM 0 HA PHE A 82 41.760 100.570 76.453 1.00 17.00 H new ATOM 0 HB2 PHE A 82 43.023 100.197 78.622 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.398 101.056 77.955 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.799 101.424 78.871 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.462 103.454 77.912 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.784 103.579 79.557 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.443 105.609 78.594 1.00 8.77 H new ATOM 0 HZ PHE A 82 41.106 105.672 79.418 1.00 9.06 H new ATOM 1199 N HIS A 83 42.432 102.579 75.094 1.00 0.00 N ATOM 1200 CA HIS A 83 42.840 103.623 74.100 1.00 0.00 C ATOM 1201 C HIS A 83 42.096 104.942 74.340 1.00 0.00 C ATOM 1202 O HIS A 83 40.915 104.956 74.632 1.00 0.00 O ATOM 1203 CB HIS A 83 42.473 103.035 72.730 1.00 0.00 C ATOM 1204 CG HIS A 83 40.995 102.742 72.669 1.00 0.00 C ATOM 1205 ND1 HIS A 83 40.442 101.606 73.237 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.947 103.429 72.108 1.00 0.00 C ATOM 1207 CE1 HIS A 83 39.117 101.641 73.007 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.761 102.732 72.322 1.00 0.00 N ATOM 0 H HIS A 83 41.462 102.629 75.404 1.00 0.00 H new ATOM 0 HA HIS A 83 43.902 103.857 74.177 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.745 103.735 71.941 1.00 0.00 H new ATOM 0 HB3 HIS A 83 43.040 102.121 72.555 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.030 104.368 71.581 1.00 0.00 H new ATOM 0 HE1 HIS A 83 38.425 100.880 73.336 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.823 102.997 72.021 1.00 0.00 H new ATOM 1216 N TYR A 84 42.778 106.052 74.186 1.00 21.96 N ATOM 1217 CA TYR A 84 42.117 107.380 74.367 1.00 22.81 C ATOM 1218 C TYR A 84 42.842 108.438 73.520 1.00 25.11 C ATOM 1219 O TYR A 84 43.957 108.228 73.080 1.00 26.65 O ATOM 1220 CB TYR A 84 42.173 107.690 75.875 1.00 19.35 C ATOM 1221 CG TYR A 84 43.583 107.996 76.335 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.432 106.961 76.743 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.027 109.323 76.376 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.726 107.252 77.187 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.321 109.614 76.826 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.169 108.579 77.231 1.00 12.19 C ATOM 1227 OH TYR A 84 47.443 108.867 77.677 1.00 13.46 O ATOM 0 H TYR A 84 43.767 106.094 73.942 1.00 21.96 H new ATOM 0 HA TYR A 84 41.080 107.379 74.032 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.526 108.539 76.096 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.784 106.840 76.435 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.088 105.938 76.715 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.372 110.122 76.061 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.383 106.453 77.496 1.00 9.20 H new ATOM 0 HE2 TYR A 84 45.664 110.638 76.860 1.00 14.00 H new ATOM 0 HH TYR A 84 47.590 109.835 77.643 1.00 13.46 H new ATOM 1237 N THR A 85 42.210 109.558 73.273 1.00 26.58 N ATOM 1238 CA THR A 85 42.856 110.617 72.433 1.00 26.99 C ATOM 1239 C THR A 85 43.488 111.708 73.304 1.00 28.14 C ATOM 1240 O THR A 85 42.905 112.167 74.267 1.00 27.02 O ATOM 1241 CB THR A 85 41.721 111.196 71.589 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.084 110.148 70.873 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.286 112.221 70.604 1.00 21.76 C ATOM 0 H THR A 85 41.277 109.786 73.615 1.00 26.58 H new ATOM 0 HA THR A 85 43.662 110.211 71.822 1.00 26.99 H new ATOM 0 HB THR A 85 40.996 111.684 72.240 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.355 110.517 70.332 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.476 112.633 70.003 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.774 113.025 71.155 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.012 111.736 69.951 1.00 21.76 H new ATOM 1251 N SER A 86 44.680 112.130 72.956 1.00 29.06 N ATOM 1252 CA SER A 86 45.368 113.199 73.740 1.00 29.05 C ATOM 1253 C SER A 86 45.764 114.352 72.809 1.00 29.43 C ATOM 1254 O SER A 86 45.701 114.219 71.596 1.00 29.12 O ATOM 1255 CB SER A 86 46.612 112.522 74.309 1.00 29.12 C ATOM 1256 OG SER A 86 47.475 113.517 74.845 1.00 33.88 O ATOM 0 H SER A 86 45.207 111.776 72.158 1.00 29.06 H new ATOM 0 HA SER A 86 44.736 113.619 74.523 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.332 111.809 75.084 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.125 111.959 73.529 1.00 29.12 H new ATOM 0 HG SER A 86 48.366 113.425 74.448 1.00 33.88 H new ATOM 1262 N GLY A 87 46.183 115.474 73.348 1.00 29.08 N ATOM 1263 CA GLY A 87 46.581 116.617 72.469 1.00 29.89 C ATOM 1264 C GLY A 87 47.830 117.311 73.024 1.00 31.80 C ATOM 1265 O GLY A 87 47.867 117.727 74.166 1.00 31.40 O ATOM 0 H GLY A 87 46.266 115.645 74.350 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.777 116.256 71.459 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.761 117.332 72.399 1.00 29.89 H new ATOM 1269 N VAL A 88 48.846 117.450 72.209 1.00 0.00 N ATOM 1270 CA VAL A 88 50.103 118.129 72.656 1.00 0.00 C ATOM 1271 C VAL A 88 50.515 119.176 71.609 1.00 0.00 C ATOM 1272 O VAL A 88 50.213 119.044 70.437 1.00 0.00 O ATOM 1273 CB VAL A 88 51.153 117.011 72.768 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.539 117.608 73.045 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.782 116.075 73.919 1.00 0.00 C ATOM 0 H VAL A 88 48.859 117.119 71.244 1.00 0.00 H new ATOM 0 HA VAL A 88 49.987 118.652 73.605 1.00 0.00 H new ATOM 0 HB VAL A 88 51.177 116.460 71.828 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.272 116.805 73.122 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.817 118.276 72.230 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.514 118.167 73.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.526 115.283 73.998 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.752 116.639 74.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.803 115.635 73.729 1.00 0.00 H new ATOM 1285 N LEU A 89 51.192 120.215 72.030 1.00 0.00 N ATOM 1286 CA LEU A 89 51.619 121.277 71.067 1.00 0.00 C ATOM 1287 C LEU A 89 53.142 121.269 70.885 1.00 0.00 C ATOM 1288 O LEU A 89 53.887 121.010 71.811 1.00 0.00 O ATOM 1289 CB LEU A 89 51.156 122.599 71.693 1.00 0.00 C ATOM 1290 CG LEU A 89 51.781 122.772 73.091 1.00 0.00 C ATOM 1291 CD1 LEU A 89 52.489 124.127 73.179 1.00 0.00 C ATOM 1292 CD2 LEU A 89 50.684 122.708 74.159 1.00 0.00 C ATOM 0 H LEU A 89 51.468 120.374 72.999 1.00 0.00 H new ATOM 0 HA LEU A 89 51.189 121.122 70.078 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.442 123.433 71.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 50.069 122.613 71.768 1.00 0.00 H new ATOM 0 HG LEU A 89 52.502 121.972 73.258 1.00 0.00 H new ATOM 0 HD11 LEU A 89 52.929 124.244 74.169 1.00 0.00 H new ATOM 0 HD12 LEU A 89 53.274 124.177 72.425 1.00 0.00 H new ATOM 0 HD13 LEU A 89 51.768 124.926 73.006 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.130 122.831 75.146 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.961 123.505 73.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 50.180 121.743 74.106 1.00 0.00 H new ATOM 1304 N LEU A 90 53.602 121.548 69.691 1.00 37.85 N ATOM 1305 CA LEU A 90 55.073 121.557 69.430 1.00 36.74 C ATOM 1306 C LEU A 90 55.503 122.928 68.896 1.00 35.30 C ATOM 1307 O LEU A 90 54.745 123.599 68.219 1.00 35.10 O ATOM 1308 CB LEU A 90 55.296 120.474 68.371 1.00 38.41 C ATOM 1309 CG LEU A 90 54.870 119.112 68.929 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.987 118.047 67.834 1.00 37.80 C ATOM 1311 CD2 LEU A 90 55.776 118.735 70.107 1.00 38.08 C ATOM 0 H LEU A 90 53.020 121.771 68.884 1.00 37.85 H new ATOM 0 HA LEU A 90 55.655 121.368 70.332 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.723 120.706 67.473 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.346 120.447 68.080 1.00 38.41 H new ATOM 0 HG LEU A 90 53.836 119.169 69.269 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.683 117.079 68.234 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.341 118.313 66.997 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.020 117.990 67.491 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.473 117.766 70.504 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.810 118.680 69.768 1.00 38.08 H new ATOM 0 HD23 LEU A 90 55.690 119.490 70.888 1.00 38.08 H new ATOM 1323 N GLU A 91 56.704 123.352 69.198 1.00 0.00 N ATOM 1324 CA GLU A 91 57.176 124.686 68.711 1.00 0.00 C ATOM 1325 C GLU A 91 57.614 124.605 67.244 1.00 0.00 C ATOM 1326 O GLU A 91 57.580 125.590 66.529 1.00 0.00 O ATOM 1327 CB GLU A 91 58.367 125.040 69.604 1.00 0.00 C ATOM 1328 CG GLU A 91 58.795 126.485 69.338 1.00 0.00 C ATOM 1329 CD GLU A 91 57.682 127.441 69.774 1.00 0.00 C ATOM 1330 OE1 GLU A 91 56.986 127.120 70.723 1.00 0.00 O ATOM 1331 OE2 GLU A 91 57.544 128.481 69.150 1.00 0.00 O ATOM 0 H GLU A 91 57.379 122.833 69.760 1.00 0.00 H new ATOM 0 HA GLU A 91 56.387 125.437 68.761 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.097 124.917 70.653 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.197 124.362 69.406 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.713 126.708 69.881 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.010 126.621 68.278 1.00 0.00 H new ATOM 1338 N THR A 92 58.031 123.448 66.791 1.00 31.63 N ATOM 1339 CA THR A 92 58.475 123.316 65.367 1.00 28.98 C ATOM 1340 C THR A 92 57.683 122.216 64.655 1.00 28.33 C ATOM 1341 O THR A 92 56.916 121.496 65.264 1.00 29.20 O ATOM 1342 CB THR A 92 59.960 122.955 65.441 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.115 121.750 66.177 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.729 124.081 66.132 1.00 25.50 C ATOM 0 H THR A 92 58.083 122.592 67.343 1.00 31.63 H new ATOM 0 HA THR A 92 58.309 124.233 64.801 1.00 28.98 H new ATOM 0 HB THR A 92 60.352 122.819 64.433 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.241 121.002 65.557 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.786 123.821 66.183 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.609 125.004 65.565 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.340 124.221 67.141 1.00 25.50 H new ATOM 1352 N GLU A 93 57.855 122.098 63.360 1.00 0.00 N ATOM 1353 CA GLU A 93 57.106 121.062 62.585 1.00 0.00 C ATOM 1354 C GLU A 93 57.825 119.705 62.612 1.00 0.00 C ATOM 1355 O GLU A 93 57.460 118.802 61.881 1.00 0.00 O ATOM 1356 CB GLU A 93 57.060 121.599 61.155 1.00 0.00 C ATOM 1357 CG GLU A 93 56.252 122.895 61.120 1.00 0.00 C ATOM 1358 CD GLU A 93 56.207 123.431 59.688 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.175 124.051 59.278 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.207 123.212 59.025 1.00 0.00 O ATOM 0 H GLU A 93 58.485 122.678 62.805 1.00 0.00 H new ATOM 0 HA GLU A 93 56.115 120.892 63.007 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.071 121.779 60.791 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.610 120.860 60.493 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.240 122.715 61.484 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.702 123.634 61.782 1.00 0.00 H new ATOM 1367 N GLN A 94 58.831 119.544 63.438 1.00 0.00 N ATOM 1368 CA GLN A 94 59.547 118.232 63.490 1.00 0.00 C ATOM 1369 C GLN A 94 59.914 117.898 64.939 1.00 0.00 C ATOM 1370 O GLN A 94 60.221 118.787 65.714 1.00 0.00 O ATOM 1371 CB GLN A 94 60.811 118.431 62.642 1.00 0.00 C ATOM 1372 CG GLN A 94 61.647 119.587 63.203 1.00 0.00 C ATOM 1373 CD GLN A 94 62.845 119.842 62.287 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.725 119.785 61.080 1.00 0.00 O ATOM 1375 NE2 GLN A 94 64.006 120.125 62.814 1.00 0.00 N ATOM 0 H GLN A 94 59.185 120.259 64.074 1.00 0.00 H new ATOM 0 HA GLN A 94 58.938 117.409 63.116 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.402 117.515 62.636 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.535 118.640 61.608 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.037 120.487 63.280 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.990 119.347 64.209 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.108 120.173 63.828 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.811 120.298 62.212 1.00 0.00 H new ATOM 1384 N GLY A 95 59.896 116.641 65.322 1.00 27.89 N ATOM 1385 CA GLY A 95 60.261 116.311 66.735 1.00 28.05 C ATOM 1386 C GLY A 95 60.180 114.809 67.018 1.00 27.70 C ATOM 1387 O GLY A 95 59.459 114.068 66.379 1.00 25.89 O ATOM 0 H GLY A 95 59.650 115.847 64.731 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.272 116.663 66.939 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.595 116.843 67.414 1.00 28.05 H new ATOM 1391 N GLN A 96 60.925 114.376 68.004 1.00 0.00 N ATOM 1392 CA GLN A 96 60.932 112.938 68.402 1.00 0.00 C ATOM 1393 C GLN A 96 60.490 112.813 69.864 1.00 0.00 C ATOM 1394 O GLN A 96 60.986 113.513 70.728 1.00 0.00 O ATOM 1395 CB GLN A 96 62.391 112.500 68.250 1.00 0.00 C ATOM 1396 CG GLN A 96 62.520 111.015 68.597 1.00 0.00 C ATOM 1397 CD GLN A 96 63.979 110.579 68.445 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.875 111.234 68.939 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.256 109.494 67.776 1.00 0.00 N ATOM 0 H GLN A 96 61.540 114.971 68.559 1.00 0.00 H new ATOM 0 HA GLN A 96 60.257 112.329 67.801 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.730 112.676 67.229 1.00 0.00 H new ATOM 0 HB3 GLN A 96 63.029 113.094 68.904 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.181 110.839 69.618 1.00 0.00 H new ATOM 0 HG3 GLN A 96 61.882 110.421 67.942 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.503 108.944 67.361 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.225 109.195 67.667 1.00 0.00 H new ATOM 1408 N MET A 97 59.551 111.944 70.146 1.00 0.00 N ATOM 1409 CA MET A 97 59.065 111.796 71.552 1.00 0.00 C ATOM 1410 C MET A 97 59.130 110.338 72.019 1.00 0.00 C ATOM 1411 O MET A 97 58.543 109.461 71.414 1.00 0.00 O ATOM 1412 CB MET A 97 57.613 112.269 71.514 1.00 0.00 C ATOM 1413 CG MET A 97 57.050 112.290 72.935 1.00 0.00 C ATOM 1414 SD MET A 97 55.280 112.665 72.882 1.00 0.00 S ATOM 1415 CE MET A 97 55.430 114.394 72.374 1.00 0.00 C ATOM 0 H MET A 97 59.101 111.332 69.465 1.00 0.00 H new ATOM 0 HA MET A 97 59.679 112.368 72.248 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.554 113.264 71.073 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.019 111.606 70.885 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.213 111.326 73.416 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.572 113.037 73.533 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.812 115.018 73.020 1.00 0.00 H new ATOM 0 HE2 MET A 97 56.471 114.708 72.454 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.097 114.500 71.341 1.00 0.00 H new ATOM 1425 N GLN A 98 59.816 110.079 73.103 1.00 0.00 N ATOM 1426 CA GLN A 98 59.905 108.688 73.642 1.00 0.00 C ATOM 1427 C GLN A 98 59.397 108.706 75.083 1.00 0.00 C ATOM 1428 O GLN A 98 59.537 109.705 75.766 1.00 0.00 O ATOM 1429 CB GLN A 98 61.395 108.340 73.611 1.00 0.00 C ATOM 1430 CG GLN A 98 61.912 108.428 72.175 1.00 0.00 C ATOM 1431 CD GLN A 98 63.174 107.575 72.033 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.342 106.597 72.734 1.00 0.00 O ATOM 1433 NE2 GLN A 98 64.074 107.904 71.146 1.00 0.00 N ATOM 0 H GLN A 98 60.324 110.780 73.643 1.00 0.00 H new ATOM 0 HA GLN A 98 59.318 107.966 73.075 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.952 109.024 74.251 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.553 107.336 74.004 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.147 108.082 71.480 1.00 0.00 H new ATOM 0 HG3 GLN A 98 62.130 109.465 71.919 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.934 108.725 70.557 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.918 107.340 71.042 1.00 0.00 H new ATOM 1442 N GLY A 99 58.804 107.637 75.561 1.00 29.62 N ATOM 1443 CA GLY A 99 58.297 107.664 76.971 1.00 28.62 C ATOM 1444 C GLY A 99 57.968 106.260 77.461 1.00 28.62 C ATOM 1445 O GLY A 99 58.036 105.303 76.720 1.00 29.22 O ATOM 0 H GLY A 99 58.651 106.767 75.051 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.047 108.114 77.622 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.407 108.291 77.029 1.00 28.62 H new ATOM 1449 N HIS A 100 57.600 106.140 78.712 1.00 0.00 N ATOM 1450 CA HIS A 100 57.244 104.802 79.263 1.00 0.00 C ATOM 1451 C HIS A 100 56.031 104.906 80.197 1.00 0.00 C ATOM 1452 O HIS A 100 55.724 105.959 80.726 1.00 0.00 O ATOM 1453 CB HIS A 100 58.489 104.318 80.015 1.00 0.00 C ATOM 1454 CG HIS A 100 58.846 105.276 81.118 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.920 106.147 81.019 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.296 105.496 82.355 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.984 106.843 82.168 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.016 106.485 83.018 1.00 0.00 N ATOM 0 H HIS A 100 57.531 106.913 79.374 1.00 0.00 H new ATOM 0 HA HIS A 100 56.963 104.101 78.477 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.307 103.327 80.431 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.325 104.224 79.322 1.00 0.00 H new ATOM 0 HD1 HIS A 100 60.547 106.243 80.220 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.435 104.980 82.754 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.726 107.599 82.378 1.00 0.00 H new ATOM 1466 N TYR A 101 55.341 103.812 80.393 1.00 25.77 N ATOM 1467 CA TYR A 101 54.138 103.812 81.282 1.00 25.79 C ATOM 1468 C TYR A 101 54.399 102.934 82.506 1.00 26.52 C ATOM 1469 O TYR A 101 54.798 101.793 82.373 1.00 27.05 O ATOM 1470 CB TYR A 101 53.012 103.202 80.438 1.00 24.67 C ATOM 1471 CG TYR A 101 52.376 104.243 79.537 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.064 105.522 80.026 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.090 103.917 78.205 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.468 106.467 79.183 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.495 104.865 77.364 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.184 106.140 77.852 1.00 23.58 C ATOM 1477 OH TYR A 101 50.595 107.071 77.023 1.00 25.91 O ATOM 0 H TYR A 101 55.561 102.910 79.971 1.00 25.77 H new ATOM 0 HA TYR A 101 53.890 104.813 81.636 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.408 102.387 79.833 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.254 102.773 81.094 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.284 105.776 81.052 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.329 102.934 77.827 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.227 107.450 79.560 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.276 104.612 76.337 1.00 24.17 H new ATOM 0 HH TYR A 101 51.087 107.917 77.079 1.00 25.91 H new ATOM 1487 N ASP A 102 54.147 103.428 83.693 1.00 0.00 N ATOM 1488 CA ASP A 102 54.350 102.585 84.907 1.00 0.00 C ATOM 1489 C ASP A 102 53.125 101.690 85.100 1.00 0.00 C ATOM 1490 O ASP A 102 52.006 102.153 85.218 1.00 0.00 O ATOM 1491 CB ASP A 102 54.519 103.559 86.072 1.00 0.00 C ATOM 1492 CG ASP A 102 54.925 102.787 87.328 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.094 102.060 87.848 1.00 0.00 O ATOM 1494 OD2 ASP A 102 56.060 102.937 87.751 1.00 0.00 O ATOM 0 H ASP A 102 53.811 104.374 83.871 1.00 0.00 H new ATOM 0 HA ASP A 102 55.221 101.934 84.828 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.277 104.304 85.830 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.587 104.097 86.248 1.00 0.00 H new ATOM 1499 N MET A 103 53.348 100.403 85.117 1.00 0.00 N ATOM 1500 CA MET A 103 52.231 99.430 85.283 1.00 0.00 C ATOM 1501 C MET A 103 52.474 98.551 86.512 1.00 0.00 C ATOM 1502 O MET A 103 53.581 98.459 87.009 1.00 0.00 O ATOM 1503 CB MET A 103 52.275 98.585 84.009 1.00 0.00 C ATOM 1504 CG MET A 103 50.869 98.075 83.684 1.00 0.00 C ATOM 1505 SD MET A 103 50.647 98.001 81.889 1.00 0.00 S ATOM 1506 CE MET A 103 49.739 99.557 81.708 1.00 0.00 C ATOM 0 H MET A 103 54.271 99.979 85.021 1.00 0.00 H new ATOM 0 HA MET A 103 51.267 99.918 85.428 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.658 99.179 83.179 1.00 0.00 H new ATOM 0 HB3 MET A 103 52.956 97.745 84.141 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.720 97.087 84.120 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.121 98.734 84.126 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.875 99.942 80.698 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.679 99.383 81.890 1.00 0.00 H new ATOM 0 HE3 MET A 103 50.116 100.284 82.427 1.00 0.00 H new ATOM 1516 N VAL A 104 51.445 97.909 87.004 1.00 21.01 N ATOM 1517 CA VAL A 104 51.611 97.033 88.207 1.00 21.69 C ATOM 1518 C VAL A 104 50.755 95.771 88.073 1.00 22.60 C ATOM 1519 O VAL A 104 49.574 95.841 87.788 1.00 22.32 O ATOM 1520 CB VAL A 104 51.133 97.868 89.407 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.160 98.958 89.715 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.769 98.510 89.114 1.00 23.28 C ATOM 0 H VAL A 104 50.498 97.952 86.627 1.00 21.01 H new ATOM 0 HA VAL A 104 52.646 96.713 88.324 1.00 21.69 H new ATOM 0 HB VAL A 104 51.027 97.209 90.269 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.820 99.549 90.566 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.119 98.498 89.953 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.275 99.606 88.846 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.450 99.096 89.976 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.853 99.161 88.244 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.035 97.729 88.914 1.00 23.28 H new ATOM 1532 N ALA A 105 51.338 94.621 88.294 1.00 0.00 N ATOM 1533 CA ALA A 105 50.558 93.349 88.200 1.00 0.00 C ATOM 1534 C ALA A 105 49.611 93.238 89.396 1.00 0.00 C ATOM 1535 O ALA A 105 49.729 93.975 90.358 1.00 0.00 O ATOM 1536 CB ALA A 105 51.605 92.232 88.240 1.00 0.00 C ATOM 0 H ALA A 105 52.322 94.507 88.536 1.00 0.00 H new ATOM 0 HA ALA A 105 49.950 93.298 87.297 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.107 91.264 88.175 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.290 92.345 87.399 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.164 92.291 89.174 1.00 0.00 H new ATOM 1542 N ASP A 106 48.670 92.329 89.341 1.00 0.00 N ATOM 1543 CA ASP A 106 47.707 92.180 90.476 1.00 0.00 C ATOM 1544 C ASP A 106 48.433 91.673 91.725 1.00 0.00 C ATOM 1545 O ASP A 106 48.032 91.953 92.839 1.00 0.00 O ATOM 1546 CB ASP A 106 46.677 91.152 89.999 1.00 0.00 C ATOM 1547 CG ASP A 106 45.501 91.108 90.977 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.724 91.322 92.157 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.394 90.860 90.528 1.00 0.00 O ATOM 0 H ASP A 106 48.527 91.686 88.563 1.00 0.00 H new ATOM 0 HA ASP A 106 47.239 93.128 90.743 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.323 91.413 89.002 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.139 90.167 89.926 1.00 0.00 H new ATOM 1554 N ASP A 107 49.489 90.919 91.549 1.00 0.00 N ATOM 1555 CA ASP A 107 50.235 90.381 92.729 1.00 0.00 C ATOM 1556 C ASP A 107 51.124 91.458 93.367 1.00 0.00 C ATOM 1557 O ASP A 107 51.743 91.223 94.389 1.00 0.00 O ATOM 1558 CB ASP A 107 51.096 89.244 92.172 1.00 0.00 C ATOM 1559 CG ASP A 107 50.199 88.070 91.769 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.187 87.871 92.422 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.539 87.391 90.815 1.00 0.00 O ATOM 0 H ASP A 107 49.867 90.653 90.640 1.00 0.00 H new ATOM 0 HA ASP A 107 49.554 90.043 93.510 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.664 89.593 91.310 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.819 88.922 92.921 1.00 0.00 H new ATOM 1566 N GLY A 108 51.195 92.633 92.787 1.00 30.43 N ATOM 1567 CA GLY A 108 52.044 93.708 93.377 1.00 29.11 C ATOM 1568 C GLY A 108 53.349 93.858 92.585 1.00 29.35 C ATOM 1569 O GLY A 108 54.099 94.793 92.799 1.00 30.17 O ATOM 0 H GLY A 108 50.701 92.890 91.932 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.499 94.652 93.374 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.268 93.473 94.417 1.00 29.11 H new ATOM 1573 N THR A 109 53.637 92.951 91.675 1.00 0.00 N ATOM 1574 CA THR A 109 54.906 93.060 90.881 1.00 0.00 C ATOM 1575 C THR A 109 54.958 94.408 90.154 1.00 0.00 C ATOM 1576 O THR A 109 53.987 94.825 89.549 1.00 0.00 O ATOM 1577 CB THR A 109 54.847 91.913 89.870 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.670 90.684 90.561 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.149 91.870 89.070 1.00 0.00 C ATOM 0 H THR A 109 53.052 92.146 91.450 1.00 0.00 H new ATOM 0 HA THR A 109 55.792 93.000 91.513 1.00 0.00 H new ATOM 0 HB THR A 109 54.011 92.070 89.189 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.258 90.028 89.961 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.107 91.053 88.350 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.282 92.814 88.541 1.00 0.00 H new ATOM 0 HG23 THR A 109 56.988 91.713 89.748 1.00 0.00 H new ATOM 1587 N GLU A 110 56.071 95.096 90.212 1.00 0.00 N ATOM 1588 CA GLU A 110 56.163 96.420 89.525 1.00 0.00 C ATOM 1589 C GLU A 110 56.938 96.294 88.210 1.00 0.00 C ATOM 1590 O GLU A 110 57.940 95.608 88.129 1.00 0.00 O ATOM 1591 CB GLU A 110 56.902 97.331 90.507 1.00 0.00 C ATOM 1592 CG GLU A 110 56.986 98.747 89.928 1.00 0.00 C ATOM 1593 CD GLU A 110 57.725 99.674 90.903 1.00 0.00 C ATOM 1594 OE1 GLU A 110 57.808 99.337 92.075 1.00 0.00 O ATOM 1595 OE2 GLU A 110 58.196 100.708 90.461 1.00 0.00 O ATOM 0 H GLU A 110 56.915 94.800 90.702 1.00 0.00 H new ATOM 0 HA GLU A 110 55.180 96.815 89.268 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.382 97.349 91.465 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.903 96.944 90.695 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.505 98.726 88.970 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.983 99.131 89.739 1.00 0.00 H new ATOM 1602 N PHE A 111 56.480 96.966 87.185 1.00 27.41 N ATOM 1603 CA PHE A 111 57.176 96.911 85.866 1.00 27.50 C ATOM 1604 C PHE A 111 56.671 98.045 84.961 1.00 28.03 C ATOM 1605 O PHE A 111 55.510 98.410 84.995 1.00 27.72 O ATOM 1606 CB PHE A 111 56.856 95.519 85.287 1.00 26.12 C ATOM 1607 CG PHE A 111 55.406 95.428 84.856 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.415 95.074 85.780 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.059 95.698 83.528 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.078 94.989 85.373 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.724 95.613 83.121 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.733 95.258 84.042 1.00 23.73 C ATOM 0 H PHE A 111 55.647 97.555 87.206 1.00 27.41 H new ATOM 0 HA PHE A 111 58.254 97.049 85.953 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.505 95.318 84.435 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.065 94.754 86.035 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.682 94.867 86.806 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.823 95.972 82.816 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.313 94.716 86.085 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.458 95.822 82.095 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.702 95.191 83.727 1.00 23.73 H new ATOM 1622 N ILE A 112 57.543 98.607 84.167 1.00 0.00 N ATOM 1623 CA ILE A 112 57.137 99.729 83.265 1.00 0.00 C ATOM 1624 C ILE A 112 56.944 99.232 81.828 1.00 0.00 C ATOM 1625 O ILE A 112 57.475 98.210 81.435 1.00 0.00 O ATOM 1626 CB ILE A 112 58.284 100.745 83.337 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.597 100.095 82.879 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.441 101.236 84.777 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.613 101.186 82.535 1.00 0.00 C ATOM 0 H ILE A 112 58.525 98.337 84.103 1.00 0.00 H new ATOM 0 HA ILE A 112 56.187 100.167 83.571 1.00 0.00 H new ATOM 0 HB ILE A 112 58.053 101.585 82.682 1.00 0.00 H new ATOM 0 HG12 ILE A 112 59.991 99.452 83.666 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.418 99.462 82.010 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.256 101.958 84.828 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.515 101.710 85.103 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.664 100.390 85.428 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.546 100.725 82.210 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.218 101.811 81.734 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.800 101.800 83.416 1.00 0.00 H new ATOM 1641 N ALA A 113 56.202 99.966 81.040 1.00 0.00 N ATOM 1642 CA ALA A 113 55.979 99.575 79.619 1.00 0.00 C ATOM 1643 C ALA A 113 56.528 100.683 78.709 1.00 0.00 C ATOM 1644 O ALA A 113 55.854 101.661 78.450 1.00 0.00 O ATOM 1645 CB ALA A 113 54.463 99.443 79.468 1.00 0.00 C ATOM 0 H ALA A 113 55.737 100.828 81.325 1.00 0.00 H new ATOM 0 HA ALA A 113 56.480 98.646 79.348 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.223 99.156 78.444 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.094 98.681 80.154 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.990 100.398 79.698 1.00 0.00 H new ATOM 1651 N PRO A 114 57.754 100.499 78.271 1.00 31.26 N ATOM 1652 CA PRO A 114 58.377 101.538 77.403 1.00 32.26 C ATOM 1653 C PRO A 114 57.593 101.755 76.104 1.00 31.77 C ATOM 1654 O PRO A 114 57.051 100.842 75.514 1.00 33.24 O ATOM 1655 CB PRO A 114 59.769 100.993 77.103 1.00 32.64 C ATOM 1656 CG PRO A 114 59.642 99.519 77.260 1.00 33.31 C ATOM 1657 CD PRO A 114 58.601 99.289 78.319 1.00 32.61 C ATOM 0 HA PRO A 114 58.395 102.511 77.895 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.089 101.257 76.095 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.510 101.402 77.790 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.348 99.053 76.320 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.595 99.077 77.551 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.020 98.389 78.116 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.055 99.161 79.301 1.00 32.61 H new ATOM 1665 N ILE A 115 57.568 102.984 75.662 1.00 30.59 N ATOM 1666 CA ILE A 115 56.865 103.342 74.396 1.00 30.04 C ATOM 1667 C ILE A 115 57.911 103.672 73.331 1.00 30.45 C ATOM 1668 O ILE A 115 58.731 104.562 73.508 1.00 30.15 O ATOM 1669 CB ILE A 115 56.020 104.580 74.719 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.070 104.272 75.882 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.200 104.968 73.488 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.414 105.566 76.363 1.00 28.50 C ATOM 0 H ILE A 115 58.014 103.770 76.135 1.00 30.59 H new ATOM 0 HA ILE A 115 56.240 102.532 74.021 1.00 30.04 H new ATOM 0 HB ILE A 115 56.679 105.402 74.999 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.307 103.562 75.563 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.619 103.805 76.700 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.598 105.848 73.714 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.872 105.191 72.659 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.545 104.142 73.212 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.739 105.346 77.190 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.184 106.261 76.698 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.851 106.015 75.544 1.00 28.50 H new ATOM 1684 N ALA A 116 57.886 102.952 72.233 1.00 30.78 N ATOM 1685 CA ALA A 116 58.879 103.181 71.130 1.00 29.78 C ATOM 1686 C ALA A 116 58.987 104.664 70.769 1.00 29.57 C ATOM 1687 O ALA A 116 58.174 105.473 71.174 1.00 28.51 O ATOM 1688 CB ALA A 116 58.336 102.388 69.939 1.00 27.76 C ATOM 0 H ALA A 116 57.213 102.207 72.051 1.00 30.78 H new ATOM 0 HA ALA A 116 59.879 102.865 71.426 1.00 29.78 H new ATOM 0 HB1 ALA A 116 59.007 102.504 69.088 1.00 27.76 H new ATOM 0 HB2 ALA A 116 58.266 101.333 70.205 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.347 102.761 69.674 1.00 27.76 H new ATOM 1694 N ALA A 117 59.995 105.022 70.014 1.00 0.00 N ATOM 1695 CA ALA A 117 60.178 106.449 69.626 1.00 0.00 C ATOM 1696 C ALA A 117 59.553 106.723 68.258 1.00 0.00 C ATOM 1697 O ALA A 117 59.958 106.167 67.255 1.00 0.00 O ATOM 1698 CB ALA A 117 61.694 106.639 69.558 1.00 0.00 C ATOM 0 H ALA A 117 60.701 104.382 69.649 1.00 0.00 H new ATOM 0 HA ALA A 117 59.700 107.129 70.332 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.920 107.668 69.277 1.00 0.00 H new ATOM 0 HB2 ALA A 117 62.132 106.425 70.533 1.00 0.00 H new ATOM 0 HB3 ALA A 117 62.113 105.960 68.815 1.00 0.00 H new ATOM 1704 N PHE A 118 58.589 107.603 68.211 1.00 29.64 N ATOM 1705 CA PHE A 118 57.947 107.960 66.910 1.00 29.08 C ATOM 1706 C PHE A 118 58.304 109.409 66.579 1.00 30.66 C ATOM 1707 O PHE A 118 58.693 110.164 67.452 1.00 30.55 O ATOM 1708 CB PHE A 118 56.432 107.780 67.107 1.00 25.73 C ATOM 1709 CG PHE A 118 55.949 108.552 68.314 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.549 109.885 68.180 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.892 107.926 69.566 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.093 110.596 69.297 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.435 108.636 70.683 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.037 109.971 70.549 1.00 21.66 C ATOM 0 H PHE A 118 58.215 108.094 69.023 1.00 29.64 H new ATOM 0 HA PHE A 118 58.287 107.335 66.084 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.903 108.120 66.217 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.201 106.722 67.231 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.592 110.367 67.214 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.200 106.896 69.670 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.785 111.626 69.193 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.390 108.153 71.648 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.687 110.519 71.411 1.00 21.66 H new ATOM 1724 N VAL A 119 58.190 109.810 65.337 1.00 0.00 N ATOM 1725 CA VAL A 119 58.543 111.217 64.977 1.00 0.00 C ATOM 1726 C VAL A 119 57.315 111.968 64.456 1.00 0.00 C ATOM 1727 O VAL A 119 56.398 111.385 63.908 1.00 0.00 O ATOM 1728 CB VAL A 119 59.611 111.098 63.883 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.067 112.494 63.449 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.816 110.322 64.425 1.00 0.00 C ATOM 0 H VAL A 119 57.870 109.229 64.562 1.00 0.00 H new ATOM 0 HA VAL A 119 58.906 111.777 65.839 1.00 0.00 H new ATOM 0 HB VAL A 119 59.188 110.571 63.028 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.826 112.404 62.672 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.214 113.051 63.061 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.486 113.022 64.305 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.575 110.238 63.647 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.233 110.850 65.283 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.499 109.325 64.732 1.00 0.00 H new ATOM 1740 N LEU A 120 57.307 113.265 64.616 1.00 36.62 N ATOM 1741 CA LEU A 120 56.162 114.087 64.129 1.00 37.66 C ATOM 1742 C LEU A 120 56.645 114.999 63.001 1.00 38.64 C ATOM 1743 O LEU A 120 57.655 115.664 63.126 1.00 37.83 O ATOM 1744 CB LEU A 120 55.698 114.925 65.329 1.00 38.14 C ATOM 1745 CG LEU A 120 54.994 114.040 66.367 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.013 113.154 67.086 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.285 114.930 67.391 1.00 37.30 C ATOM 0 H LEU A 120 58.053 113.794 65.068 1.00 36.62 H new ATOM 0 HA LEU A 120 55.349 113.472 63.744 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.555 115.420 65.787 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.020 115.709 64.992 1.00 38.14 H new ATOM 0 HG LEU A 120 54.268 113.405 65.859 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.500 112.531 67.819 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.518 112.518 66.360 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.747 113.781 67.592 1.00 39.15 H new ATOM 0 HD21 LEU A 120 53.783 114.306 68.130 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.017 115.566 67.889 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.549 115.553 66.883 1.00 37.30 H new ATOM 1759 N SER A 121 55.935 115.030 61.902 1.00 0.00 N ATOM 1760 CA SER A 121 56.350 115.896 60.757 1.00 0.00 C ATOM 1761 C SER A 121 55.132 116.254 59.902 1.00 0.00 C ATOM 1762 O SER A 121 55.147 117.210 59.151 1.00 0.00 O ATOM 1763 CB SER A 121 57.337 115.049 59.957 1.00 0.00 C ATOM 1764 OG SER A 121 56.734 113.802 59.637 1.00 0.00 O ATOM 0 H SER A 121 55.083 114.491 61.748 1.00 0.00 H new ATOM 0 HA SER A 121 56.795 116.835 61.087 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.626 115.571 59.045 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.247 114.888 60.534 1.00 0.00 H new ATOM 0 HG SER A 121 57.364 113.256 59.122 1.00 0.00 H new