USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 81:sc= 0.903 USER MOD Set 1.2: A 86 SER OG : rot -122:sc= 1.54 USER MOD Set 2.1: A 84 TYR OH : rot -130:sc= -1.25! USER MOD Set 2.2: A 101 TYR OH : rot -97:sc= 1.08 USER MOD Set 3.1: A 34 SER OG : rot 111:sc= 0.0274 USER MOD Set 3.2: A 83 HIS : no HE2:sc= -3.32 K(o=-3.3,f=-8!) USER MOD Set 4.1: A 51 HIS : no HE2:sc= -0.332 X(o=-0.32,f=-0.47) USER MOD Set 4.2: A 63 GLN : amide:sc= 0.0156 X(o=-0.32,f=-0.35) USER MOD Set 5.1: A 7 TYR OH : rot 15:sc= -2.61 USER MOD Set 5.2: A 109 THR OG1 : rot 136:sc= 0.585 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=-0.0058) USER MOD Single : A 21 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.19) USER MOD Single : A 22 SER OG : rot 6:sc= -0.586 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -88:sc= 0.13 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.35 K(o=0.35,f=-9!) USER MOD Single : A 53 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.8) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 100:sc= 0.106 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 97 MET CE :methyl -108:sc= -0.0137 (180deg=-1.96) USER MOD Single : A 98 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.9) USER MOD Single : A 100 HIS : no HD1:sc= -4.29 K(o=-4.3,f=-4.9!) USER MOD Single : A 103 MET CE :methyl -149:sc= -0.201 (180deg=-1.35!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.151 86.579 81.272 1.00 0.00 N ATOM 2 CA ARG A 6 54.012 86.876 82.189 1.00 0.00 C ATOM 3 C ARG A 6 53.797 88.390 82.289 1.00 0.00 C ATOM 4 O ARG A 6 52.679 88.857 82.419 1.00 0.00 O ATOM 5 CB ARG A 6 54.434 86.302 83.541 1.00 0.00 C ATOM 6 CG ARG A 6 54.580 84.783 83.426 1.00 0.00 C ATOM 7 CD ARG A 6 55.002 84.206 84.780 1.00 0.00 C ATOM 8 NE ARG A 6 53.833 84.431 85.674 1.00 0.00 N ATOM 9 CZ ARG A 6 54.011 84.551 86.962 1.00 0.00 C ATOM 10 NH1 ARG A 6 54.430 83.531 87.661 1.00 0.00 N ATOM 11 NH2 ARG A 6 53.771 85.690 87.551 1.00 0.00 N ATOM 0 HA ARG A 6 53.074 86.445 81.839 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.378 86.746 83.858 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.693 86.551 84.301 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.636 84.339 83.108 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.321 84.535 82.666 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.240 83.145 84.700 1.00 0.00 H new ATOM 0 HD3 ARG A 6 55.893 84.705 85.162 1.00 0.00 H new ATOM 0 HE ARG A 6 52.894 84.491 85.281 1.00 0.00 H new ATOM 0 HH11 ARG A 6 54.618 82.640 87.201 1.00 0.00 H new ATOM 0 HH12 ARG A 6 54.569 83.625 88.667 1.00 0.00 H new ATOM 0 HH21 ARG A 6 53.444 86.487 87.005 1.00 0.00 H new ATOM 0 HH22 ARG A 6 53.910 85.783 88.557 1.00 0.00 H new ATOM 25 N TYR A 7 54.860 89.152 82.229 1.00 31.93 N ATOM 26 CA TYR A 7 54.734 90.638 82.318 1.00 29.59 C ATOM 27 C TYR A 7 55.052 91.271 80.959 1.00 29.68 C ATOM 28 O TYR A 7 56.201 91.423 80.588 1.00 30.50 O ATOM 29 CB TYR A 7 55.766 91.064 83.364 1.00 27.35 C ATOM 30 CG TYR A 7 55.184 90.923 84.752 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.704 89.682 85.192 1.00 23.78 C ATOM 32 CD2 TYR A 7 55.127 92.035 85.602 1.00 23.48 C ATOM 33 CE1 TYR A 7 54.172 89.555 86.480 1.00 22.01 C ATOM 34 CE2 TYR A 7 54.593 91.905 86.890 1.00 22.47 C ATOM 35 CZ TYR A 7 54.116 90.663 87.328 1.00 22.87 C ATOM 36 OH TYR A 7 53.594 90.528 88.598 1.00 25.71 O ATOM 0 H TYR A 7 55.814 88.807 82.122 1.00 31.93 H new ATOM 0 HA TYR A 7 53.727 90.954 82.592 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.663 90.451 83.273 1.00 27.35 H new ATOM 0 HB3 TYR A 7 56.067 92.097 83.190 1.00 27.35 H new ATOM 0 HD1 TYR A 7 54.745 88.824 84.537 1.00 23.78 H new ATOM 0 HD2 TYR A 7 55.495 92.993 85.264 1.00 23.48 H new ATOM 0 HE1 TYR A 7 53.804 88.598 86.819 1.00 22.01 H new ATOM 0 HE2 TYR A 7 54.549 92.762 87.545 1.00 22.47 H new ATOM 0 HH TYR A 7 53.535 89.577 88.828 1.00 25.71 H new ATOM 46 N ARG A 8 54.039 91.637 80.216 1.00 0.00 N ATOM 47 CA ARG A 8 54.261 92.258 78.874 1.00 0.00 C ATOM 48 C ARG A 8 53.137 93.245 78.553 1.00 0.00 C ATOM 49 O ARG A 8 51.972 92.986 78.786 1.00 0.00 O ATOM 50 CB ARG A 8 54.252 91.094 77.881 1.00 0.00 C ATOM 51 CG ARG A 8 55.440 90.172 78.159 1.00 0.00 C ATOM 52 CD ARG A 8 55.579 89.161 77.019 1.00 0.00 C ATOM 53 NE ARG A 8 56.040 89.960 75.851 1.00 0.00 N ATOM 54 CZ ARG A 8 57.285 90.345 75.773 1.00 0.00 C ATOM 55 NH1 ARG A 8 58.221 89.475 75.509 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.593 91.599 75.960 1.00 0.00 N ATOM 0 H ARG A 8 53.060 91.532 80.483 1.00 0.00 H new ATOM 0 HA ARG A 8 55.196 92.816 78.833 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.319 90.537 77.967 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.304 91.473 76.860 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.354 90.758 78.253 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.296 89.651 79.106 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.296 88.379 77.270 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.629 88.668 76.810 1.00 0.00 H new ATOM 0 HE ARG A 8 55.383 90.207 75.111 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.980 88.495 75.364 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.194 89.775 75.448 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.861 92.279 76.167 1.00 0.00 H new ATOM 0 HH22 ARG A 8 58.566 91.900 75.899 1.00 0.00 H new ATOM 70 N VAL A 9 53.494 94.383 78.015 1.00 0.00 N ATOM 71 CA VAL A 9 52.487 95.427 77.658 1.00 0.00 C ATOM 72 C VAL A 9 53.011 96.253 76.478 1.00 0.00 C ATOM 73 O VAL A 9 53.989 96.967 76.589 1.00 0.00 O ATOM 74 CB VAL A 9 52.345 96.301 78.911 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.343 97.429 78.644 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.841 95.450 80.079 1.00 0.00 C ATOM 0 H VAL A 9 54.459 94.637 77.804 1.00 0.00 H new ATOM 0 HA VAL A 9 51.528 95.002 77.361 1.00 0.00 H new ATOM 0 HB VAL A 9 53.317 96.726 79.160 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.245 98.047 79.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.697 98.042 77.815 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.373 97.001 78.391 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.741 96.074 80.967 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.871 95.022 79.825 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.551 94.647 80.277 1.00 0.00 H new ATOM 86 N GLU A 10 52.348 96.169 75.355 1.00 0.00 N ATOM 87 CA GLU A 10 52.757 96.947 74.148 1.00 0.00 C ATOM 88 C GLU A 10 51.768 98.087 73.897 1.00 0.00 C ATOM 89 O GLU A 10 50.568 97.895 73.874 1.00 0.00 O ATOM 90 CB GLU A 10 52.710 95.938 72.999 1.00 0.00 C ATOM 91 CG GLU A 10 53.845 94.926 73.160 1.00 0.00 C ATOM 92 CD GLU A 10 53.796 93.918 72.011 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.004 92.993 72.093 1.00 0.00 O ATOM 94 OE2 GLU A 10 54.552 94.087 71.068 1.00 0.00 O ATOM 0 H GLU A 10 51.524 95.583 75.221 1.00 0.00 H new ATOM 0 HA GLU A 10 53.743 97.398 74.259 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.749 95.424 72.992 1.00 0.00 H new ATOM 0 HB3 GLU A 10 52.802 96.455 72.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.806 95.440 73.167 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.753 94.409 74.115 1.00 0.00 H new ATOM 101 N VAL A 11 52.281 99.275 73.710 1.00 26.88 N ATOM 102 CA VAL A 11 51.402 100.457 73.458 1.00 26.83 C ATOM 103 C VAL A 11 51.715 101.047 72.078 1.00 27.58 C ATOM 104 O VAL A 11 52.862 101.148 71.684 1.00 28.21 O ATOM 105 CB VAL A 11 51.747 101.458 74.567 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.882 102.714 74.419 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.480 100.822 75.935 1.00 25.75 C ATOM 0 H VAL A 11 53.280 99.479 73.721 1.00 26.88 H new ATOM 0 HA VAL A 11 50.343 100.200 73.467 1.00 26.83 H new ATOM 0 HB VAL A 11 52.800 101.729 74.487 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.131 103.422 75.209 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.070 103.173 73.448 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.829 102.442 74.494 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.726 101.535 76.722 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.428 100.548 76.010 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.096 99.930 76.048 1.00 25.75 H new ATOM 117 N GLU A 12 50.703 101.437 71.344 1.00 0.00 N ATOM 118 CA GLU A 12 50.929 102.024 69.989 1.00 0.00 C ATOM 119 C GLU A 12 50.342 103.437 69.930 1.00 0.00 C ATOM 120 O GLU A 12 49.260 103.692 70.425 1.00 0.00 O ATOM 121 CB GLU A 12 50.185 101.093 69.028 1.00 0.00 C ATOM 122 CG GLU A 12 50.385 101.576 67.587 1.00 0.00 C ATOM 123 CD GLU A 12 49.645 100.650 66.614 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.354 99.523 66.989 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.378 101.084 65.505 1.00 0.00 O ATOM 0 H GLU A 12 49.725 101.373 71.627 1.00 0.00 H new ATOM 0 HA GLU A 12 51.987 102.105 69.739 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.554 100.073 69.135 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.123 101.075 69.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.016 102.596 67.482 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.448 101.595 67.346 1.00 0.00 H new ATOM 132 N VAL A 13 51.057 104.357 69.337 1.00 26.55 N ATOM 133 CA VAL A 13 50.561 105.764 69.247 1.00 26.45 C ATOM 134 C VAL A 13 50.639 106.269 67.803 1.00 27.95 C ATOM 135 O VAL A 13 51.615 106.055 67.109 1.00 27.94 O ATOM 136 CB VAL A 13 51.490 106.572 70.158 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.074 108.045 70.147 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.403 106.035 71.589 1.00 26.97 C ATOM 0 H VAL A 13 51.968 104.194 68.909 1.00 26.55 H new ATOM 0 HA VAL A 13 49.518 105.853 69.550 1.00 26.45 H new ATOM 0 HB VAL A 13 52.513 106.480 69.794 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.738 108.615 70.797 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.139 108.434 69.131 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.049 108.136 70.506 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.065 106.612 72.235 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.378 106.123 71.949 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.704 104.988 71.603 1.00 26.97 H new ATOM 148 N SER A 14 49.607 106.943 67.353 1.00 0.00 N ATOM 149 CA SER A 14 49.598 107.475 65.958 1.00 0.00 C ATOM 150 C SER A 14 49.327 108.989 65.968 1.00 0.00 C ATOM 151 O SER A 14 48.204 109.412 66.172 1.00 0.00 O ATOM 152 CB SER A 14 48.467 106.728 65.254 1.00 0.00 C ATOM 153 OG SER A 14 48.380 107.172 63.906 1.00 0.00 O ATOM 0 H SER A 14 48.768 107.147 67.896 1.00 0.00 H new ATOM 0 HA SER A 14 50.554 107.329 65.454 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.651 105.654 65.284 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.523 106.905 65.769 1.00 0.00 H new ATOM 0 HG SER A 14 47.656 106.694 63.450 1.00 0.00 H new ATOM 159 N PRO A 15 50.369 109.758 65.747 1.00 28.75 N ATOM 160 CA PRO A 15 50.189 111.239 65.737 1.00 30.20 C ATOM 161 C PRO A 15 49.708 111.727 64.366 1.00 33.00 C ATOM 162 O PRO A 15 49.751 111.014 63.383 1.00 32.76 O ATOM 163 CB PRO A 15 51.580 111.788 66.038 1.00 29.34 C ATOM 164 CG PRO A 15 52.518 110.721 65.592 1.00 29.59 C ATOM 165 CD PRO A 15 51.804 109.408 65.762 1.00 28.91 C ATOM 0 HA PRO A 15 49.439 111.567 66.457 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.760 112.721 65.504 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.700 112.000 67.100 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.806 110.871 64.552 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.434 110.741 66.183 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.051 108.715 64.957 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.084 108.923 66.697 1.00 28.91 H new ATOM 173 N ARG A 16 49.243 112.950 64.314 1.00 34.77 N ATOM 174 CA ARG A 16 48.741 113.532 63.031 1.00 37.64 C ATOM 175 C ARG A 16 48.779 115.063 63.107 1.00 38.99 C ATOM 176 O ARG A 16 48.341 115.664 64.072 1.00 38.96 O ATOM 177 CB ARG A 16 47.301 113.025 62.880 1.00 40.22 C ATOM 178 CG ARG A 16 46.466 113.442 64.094 1.00 43.41 C ATOM 179 CD ARG A 16 45.053 112.871 63.962 1.00 47.90 C ATOM 180 NE ARG A 16 44.338 113.327 65.186 1.00 51.85 N ATOM 181 CZ ARG A 16 43.559 112.502 65.830 1.00 53.88 C ATOM 182 NH1 ARG A 16 44.067 111.659 66.687 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.271 112.522 65.618 1.00 54.10 N ATOM 0 H ARG A 16 49.189 113.578 65.116 1.00 34.77 H new ATOM 0 HA ARG A 16 49.351 113.238 62.177 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.859 113.428 61.969 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.298 111.939 62.782 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.932 113.080 65.011 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.425 114.529 64.165 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.563 113.236 63.059 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.071 111.783 63.898 1.00 47.90 H new ATOM 0 HE ARG A 16 44.457 114.283 65.521 1.00 51.85 H new ATOM 0 HH11 ARG A 16 45.073 111.645 66.853 1.00 53.27 H new ATOM 0 HH12 ARG A 16 43.458 111.014 67.190 1.00 53.27 H new ATOM 0 HH21 ARG A 16 41.874 113.182 64.949 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.661 111.877 66.121 1.00 54.10 H new ATOM 197 N PHE A 17 49.325 115.689 62.096 1.00 0.00 N ATOM 198 CA PHE A 17 49.431 117.183 62.083 1.00 0.00 C ATOM 199 C PHE A 17 48.048 117.838 62.184 1.00 0.00 C ATOM 200 O PHE A 17 47.097 117.405 61.560 1.00 0.00 O ATOM 201 CB PHE A 17 50.079 117.518 60.736 1.00 0.00 C ATOM 202 CG PHE A 17 50.336 119.004 60.647 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.380 119.579 61.382 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.534 119.807 59.828 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.623 120.954 61.298 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.777 121.184 59.744 1.00 0.00 C ATOM 207 CZ PHE A 17 50.822 121.757 60.479 1.00 0.00 C ATOM 0 H PHE A 17 49.706 115.226 61.271 1.00 0.00 H new ATOM 0 HA PHE A 17 50.009 117.553 62.930 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.015 116.971 60.626 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.428 117.203 59.921 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.999 118.960 62.015 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.728 119.365 59.261 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.429 121.396 61.865 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.158 121.804 59.112 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.010 122.819 60.414 1.00 0.00 H new ATOM 217 N LEU A 18 47.937 118.885 62.963 1.00 0.00 N ATOM 218 CA LEU A 18 46.626 119.589 63.112 1.00 0.00 C ATOM 219 C LEU A 18 46.720 121.012 62.548 1.00 0.00 C ATOM 220 O LEU A 18 46.868 121.981 63.266 1.00 0.00 O ATOM 221 CB LEU A 18 46.342 119.608 64.615 1.00 0.00 C ATOM 222 CG LEU A 18 44.830 119.578 64.854 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.256 118.251 64.351 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.550 119.717 66.352 1.00 0.00 C ATOM 0 H LEU A 18 48.703 119.285 63.505 1.00 0.00 H new ATOM 0 HA LEU A 18 45.826 119.090 62.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.813 118.750 65.095 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.774 120.502 65.065 1.00 0.00 H new ATOM 0 HG LEU A 18 44.362 120.402 64.316 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.180 118.232 64.522 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.456 118.149 63.284 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.723 117.426 64.888 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.474 119.696 66.525 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.020 118.892 66.888 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.957 120.662 66.712 1.00 0.00 H new ATOM 236 N ALA A 19 46.608 121.120 61.251 1.00 0.00 N ATOM 237 CA ALA A 19 46.658 122.451 60.565 1.00 0.00 C ATOM 238 C ALA A 19 45.404 123.281 60.864 1.00 0.00 C ATOM 239 O ALA A 19 45.472 124.493 60.970 1.00 0.00 O ATOM 240 CB ALA A 19 46.691 122.111 59.072 1.00 0.00 C ATOM 0 H ALA A 19 46.481 120.327 60.623 1.00 0.00 H new ATOM 0 HA ALA A 19 47.514 123.038 60.897 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.729 123.032 58.490 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.573 121.509 58.855 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.795 121.550 58.807 1.00 0.00 H new ATOM 246 N HIS A 20 44.263 122.650 60.979 1.00 0.00 N ATOM 247 CA HIS A 20 43.007 123.420 61.247 1.00 0.00 C ATOM 248 C HIS A 20 43.014 124.008 62.661 1.00 0.00 C ATOM 249 O HIS A 20 42.320 124.970 62.938 1.00 0.00 O ATOM 250 CB HIS A 20 41.868 122.414 61.081 1.00 0.00 C ATOM 251 CG HIS A 20 41.730 122.046 59.629 1.00 0.00 C ATOM 252 ND1 HIS A 20 42.300 120.899 59.100 1.00 0.00 N ATOM 253 CD2 HIS A 20 41.090 122.664 58.583 1.00 0.00 C ATOM 254 CE1 HIS A 20 41.996 120.864 57.790 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.260 121.916 57.423 1.00 0.00 N ATOM 0 H HIS A 20 44.145 121.640 60.900 1.00 0.00 H new ATOM 0 HA HIS A 20 42.902 124.264 60.566 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.067 121.522 61.676 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.935 122.841 61.449 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.539 123.590 58.651 1.00 0.00 H new ATOM 0 HE1 HIS A 20 42.309 120.080 57.117 1.00 0.00 H new ATOM 0 HE2 HIS A 20 40.900 122.126 56.492 1.00 0.00 H new ATOM 263 N GLN A 21 43.784 123.445 63.557 1.00 51.13 N ATOM 264 CA GLN A 21 43.823 123.981 64.952 1.00 51.59 C ATOM 265 C GLN A 21 45.249 124.391 65.332 1.00 51.55 C ATOM 266 O GLN A 21 45.667 124.215 66.462 1.00 51.24 O ATOM 267 CB GLN A 21 43.346 122.826 65.832 1.00 52.27 C ATOM 268 CG GLN A 21 42.806 123.379 67.152 1.00 52.27 C ATOM 269 CD GLN A 21 41.490 124.117 66.896 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.486 123.503 66.591 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.452 125.416 67.009 1.00 51.79 N ATOM 0 H GLN A 21 44.386 122.640 63.384 1.00 51.13 H new ATOM 0 HA GLN A 21 43.201 124.869 65.067 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.569 122.260 65.318 1.00 52.27 H new ATOM 0 HB3 GLN A 21 44.169 122.137 66.024 1.00 52.27 H new ATOM 0 HG2 GLN A 21 42.648 122.567 67.861 1.00 52.27 H new ATOM 0 HG3 GLN A 21 43.534 124.056 67.600 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.295 125.931 67.265 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.580 125.917 66.841 1.00 51.79 H new ATOM 280 N SER A 22 45.998 124.934 64.402 1.00 52.26 N ATOM 281 CA SER A 22 47.397 125.350 64.722 1.00 52.76 C ATOM 282 C SER A 22 47.886 126.429 63.749 1.00 51.68 C ATOM 283 O SER A 22 47.553 126.420 62.579 1.00 52.15 O ATOM 284 CB SER A 22 48.233 124.083 64.564 1.00 53.63 C ATOM 285 OG SER A 22 49.576 124.359 64.940 1.00 55.19 O ATOM 0 H SER A 22 45.702 125.106 63.441 1.00 52.26 H new ATOM 0 HA SER A 22 47.470 125.775 65.723 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.826 123.285 65.184 1.00 53.63 H new ATOM 0 HB3 SER A 22 48.196 123.735 63.532 1.00 53.63 H new ATOM 0 HG SER A 22 49.635 125.270 65.297 1.00 55.19 H new ATOM 291 N THR A 23 48.698 127.338 64.224 1.00 0.00 N ATOM 292 CA THR A 23 49.247 128.407 63.334 1.00 0.00 C ATOM 293 C THR A 23 50.784 128.340 63.364 1.00 0.00 C ATOM 294 O THR A 23 51.417 128.911 64.230 1.00 0.00 O ATOM 295 CB THR A 23 48.715 129.745 63.882 1.00 0.00 C ATOM 296 OG1 THR A 23 49.201 130.805 63.072 1.00 0.00 O ATOM 297 CG2 THR A 23 49.162 129.973 65.330 1.00 0.00 C ATOM 0 H THR A 23 49.006 127.387 65.195 1.00 0.00 H new ATOM 0 HA THR A 23 48.940 128.289 62.295 1.00 0.00 H new ATOM 0 HB THR A 23 47.626 129.715 63.861 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.865 131.659 63.415 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.770 130.926 65.686 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.784 129.167 65.959 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.251 129.989 65.376 1.00 0.00 H new ATOM 305 N PRO A 24 51.334 127.606 62.422 1.00 49.88 N ATOM 306 CA PRO A 24 52.819 127.450 62.398 1.00 51.02 C ATOM 307 C PRO A 24 53.529 128.775 62.098 1.00 51.50 C ATOM 308 O PRO A 24 54.694 128.940 62.411 1.00 51.57 O ATOM 309 CB PRO A 24 53.066 126.452 61.271 1.00 51.23 C ATOM 310 CG PRO A 24 51.887 126.588 60.372 1.00 51.05 C ATOM 311 CD PRO A 24 50.722 126.958 61.245 1.00 49.44 C ATOM 0 HA PRO A 24 53.207 127.120 63.362 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.993 126.674 60.743 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.154 125.436 61.656 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.063 127.353 59.616 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.694 125.655 59.843 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.039 127.634 60.730 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.145 126.079 61.531 1.00 49.44 H new ATOM 319 N ASP A 25 52.852 129.711 61.481 1.00 0.00 N ATOM 320 CA ASP A 25 53.512 131.013 61.148 1.00 0.00 C ATOM 321 C ASP A 25 53.895 131.774 62.424 1.00 0.00 C ATOM 322 O ASP A 25 54.784 132.605 62.409 1.00 0.00 O ATOM 323 CB ASP A 25 52.489 131.798 60.325 1.00 0.00 C ATOM 324 CG ASP A 25 52.325 131.146 58.950 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.300 130.608 58.450 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.228 131.196 58.421 1.00 0.00 O ATOM 0 H ASP A 25 51.876 129.632 61.194 1.00 0.00 H new ATOM 0 HA ASP A 25 54.438 130.863 60.592 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.531 131.821 60.844 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.815 132.832 60.212 1.00 0.00 H new ATOM 331 N GLU A 26 53.237 131.501 63.524 1.00 0.00 N ATOM 332 CA GLU A 26 53.574 132.217 64.794 1.00 0.00 C ATOM 333 C GLU A 26 54.324 131.288 65.758 1.00 0.00 C ATOM 334 O GLU A 26 54.322 131.496 66.957 1.00 0.00 O ATOM 335 CB GLU A 26 52.227 132.627 65.387 1.00 0.00 C ATOM 336 CG GLU A 26 51.601 133.729 64.526 1.00 0.00 C ATOM 337 CD GLU A 26 50.247 134.151 65.110 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.675 133.382 65.868 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.800 135.239 64.784 1.00 0.00 O ATOM 0 H GLU A 26 52.484 130.817 63.598 1.00 0.00 H new ATOM 0 HA GLU A 26 54.224 133.074 64.618 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.561 131.765 65.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.361 132.982 66.409 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.269 134.589 64.480 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.470 133.372 63.504 1.00 0.00 H new ATOM 346 N GLY A 27 54.964 130.267 65.243 1.00 0.00 N ATOM 347 CA GLY A 27 55.714 129.320 66.123 1.00 0.00 C ATOM 348 C GLY A 27 54.728 128.518 66.975 1.00 0.00 C ATOM 349 O GLY A 27 55.035 128.111 68.079 1.00 0.00 O ATOM 0 H GLY A 27 54.999 130.049 64.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.318 128.645 65.516 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.400 129.871 66.766 1.00 0.00 H new ATOM 353 N ARG A 28 53.546 128.288 66.464 1.00 0.00 N ATOM 354 CA ARG A 28 52.527 127.511 67.230 1.00 0.00 C ATOM 355 C ARG A 28 52.110 126.266 66.442 1.00 0.00 C ATOM 356 O ARG A 28 51.208 126.315 65.624 1.00 0.00 O ATOM 357 CB ARG A 28 51.347 128.464 67.401 1.00 0.00 C ATOM 358 CG ARG A 28 51.727 129.583 68.373 1.00 0.00 C ATOM 359 CD ARG A 28 51.690 129.048 69.807 1.00 0.00 C ATOM 360 NE ARG A 28 50.243 128.942 70.139 1.00 0.00 N ATOM 361 CZ ARG A 28 49.611 129.967 70.641 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.943 130.426 71.817 1.00 0.00 N ATOM 363 NH2 ARG A 28 48.648 130.534 69.968 1.00 0.00 N ATOM 0 H ARG A 28 53.242 128.607 65.544 1.00 0.00 H new ATOM 0 HA ARG A 28 52.908 127.163 68.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.065 128.887 66.437 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.480 127.921 67.777 1.00 0.00 H new ATOM 0 HG2 ARG A 28 52.723 129.959 68.140 1.00 0.00 H new ATOM 0 HG3 ARG A 28 51.037 130.420 68.268 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.184 128.079 69.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.205 129.721 70.493 1.00 0.00 H new ATOM 0 HE ARG A 28 49.745 128.067 69.974 1.00 0.00 H new ATOM 0 HH11 ARG A 28 50.696 129.983 72.343 1.00 0.00 H new ATOM 0 HH12 ARG A 28 49.449 131.227 72.210 1.00 0.00 H new ATOM 0 HH21 ARG A 28 48.389 130.176 69.049 1.00 0.00 H new ATOM 0 HH22 ARG A 28 48.154 131.335 70.361 1.00 0.00 H new ATOM 377 N TYR A 29 52.746 125.150 66.695 1.00 46.07 N ATOM 378 CA TYR A 29 52.379 123.890 65.977 1.00 43.41 C ATOM 379 C TYR A 29 51.585 122.986 66.924 1.00 41.37 C ATOM 380 O TYR A 29 51.988 122.759 68.050 1.00 39.95 O ATOM 381 CB TYR A 29 53.709 123.226 65.602 1.00 43.56 C ATOM 382 CG TYR A 29 54.554 124.165 64.770 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.345 125.134 65.399 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.554 124.060 63.375 1.00 44.01 C ATOM 385 CE1 TYR A 29 56.135 125.999 64.632 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.344 124.925 62.608 1.00 42.98 C ATOM 387 CZ TYR A 29 56.134 125.894 63.237 1.00 43.35 C ATOM 388 OH TYR A 29 56.914 126.746 62.481 1.00 43.13 O ATOM 0 H TYR A 29 53.506 125.056 67.369 1.00 46.07 H new ATOM 0 HA TYR A 29 51.766 124.077 65.096 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.250 122.945 66.506 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.520 122.308 65.046 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.346 125.214 66.476 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.945 123.312 62.890 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.745 126.747 65.117 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.344 124.844 61.531 1.00 42.98 H new ATOM 0 HH TYR A 29 56.412 127.566 62.289 1.00 43.13 H new ATOM 398 N ALA A 30 50.456 122.483 66.487 1.00 0.00 N ATOM 399 CA ALA A 30 49.639 121.610 67.387 1.00 0.00 C ATOM 400 C ALA A 30 49.502 120.196 66.812 1.00 0.00 C ATOM 401 O ALA A 30 48.973 120.002 65.733 1.00 0.00 O ATOM 402 CB ALA A 30 48.274 122.292 67.474 1.00 0.00 C ATOM 0 H ALA A 30 50.068 122.637 65.556 1.00 0.00 H new ATOM 0 HA ALA A 30 50.104 121.496 68.366 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.617 121.709 68.119 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.393 123.293 67.887 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.837 122.360 66.478 1.00 0.00 H new ATOM 408 N PHE A 31 49.959 119.208 67.539 1.00 36.58 N ATOM 409 CA PHE A 31 49.845 117.798 67.061 1.00 36.29 C ATOM 410 C PHE A 31 48.919 117.009 67.989 1.00 35.25 C ATOM 411 O PHE A 31 49.010 117.116 69.198 1.00 34.09 O ATOM 412 CB PHE A 31 51.260 117.220 67.133 1.00 36.39 C ATOM 413 CG PHE A 31 52.110 117.776 66.016 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.758 119.006 66.171 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.256 117.053 64.826 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.552 119.513 65.136 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.048 117.560 63.791 1.00 37.25 C ATOM 418 CZ PHE A 31 53.696 118.790 63.946 1.00 36.45 C ATOM 0 H PHE A 31 50.408 119.319 68.448 1.00 36.58 H new ATOM 0 HA PHE A 31 49.435 117.745 66.052 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.710 117.461 68.096 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.220 116.133 67.063 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.646 119.564 67.089 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.756 116.103 64.707 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.054 120.462 65.255 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.159 117.002 62.873 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.308 119.182 63.147 1.00 36.45 H new ATOM 428 N ALA A 32 48.050 116.199 67.442 1.00 34.06 N ATOM 429 CA ALA A 32 47.140 115.377 68.294 1.00 32.35 C ATOM 430 C ALA A 32 47.538 113.910 68.144 1.00 31.25 C ATOM 431 O ALA A 32 47.727 113.434 67.039 1.00 31.96 O ATOM 432 CB ALA A 32 45.738 115.620 67.733 1.00 32.65 C ATOM 0 H ALA A 32 47.931 116.071 66.437 1.00 34.06 H new ATOM 0 HA ALA A 32 47.188 115.634 69.352 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.011 115.047 68.309 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.499 116.681 67.799 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.704 115.305 66.690 1.00 32.65 H new ATOM 438 N TYR A 33 47.690 113.190 69.230 1.00 29.03 N ATOM 439 CA TYR A 33 48.105 111.758 69.104 1.00 27.15 C ATOM 440 C TYR A 33 47.166 110.830 69.881 1.00 26.72 C ATOM 441 O TYR A 33 46.674 111.169 70.941 1.00 28.24 O ATOM 442 CB TYR A 33 49.549 111.702 69.636 1.00 26.09 C ATOM 443 CG TYR A 33 49.602 111.884 71.139 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.416 113.150 71.709 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.856 110.780 71.960 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.481 113.306 73.098 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.924 110.939 73.348 1.00 25.85 C ATOM 448 CZ TYR A 33 49.736 112.199 73.918 1.00 27.60 C ATOM 449 OH TYR A 33 49.809 112.355 75.287 1.00 28.81 O ATOM 0 H TYR A 33 47.547 113.525 70.183 1.00 29.03 H new ATOM 0 HA TYR A 33 48.053 111.411 68.072 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.998 110.745 69.370 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.144 112.478 69.155 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.223 114.004 71.077 1.00 24.81 H new ATOM 0 HD2 TYR A 33 50.000 109.804 71.521 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.334 114.281 73.539 1.00 25.46 H new ATOM 0 HE2 TYR A 33 50.122 110.086 73.979 1.00 25.85 H new ATOM 0 HH TYR A 33 48.904 112.369 75.663 1.00 28.81 H new ATOM 459 N SER A 34 46.918 109.658 69.351 1.00 0.00 N ATOM 460 CA SER A 34 46.016 108.690 70.039 1.00 0.00 C ATOM 461 C SER A 34 46.844 107.581 70.690 1.00 0.00 C ATOM 462 O SER A 34 47.832 107.133 70.144 1.00 0.00 O ATOM 463 CB SER A 34 45.128 108.122 68.933 1.00 0.00 C ATOM 464 OG SER A 34 44.415 107.000 69.434 1.00 0.00 O ATOM 0 H SER A 34 47.305 109.330 68.466 1.00 0.00 H new ATOM 0 HA SER A 34 45.428 109.156 70.830 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.431 108.884 68.583 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.736 107.829 68.077 1.00 0.00 H new ATOM 0 HG SER A 34 43.462 107.220 69.498 1.00 0.00 H new ATOM 470 N ILE A 35 46.456 107.153 71.863 1.00 0.00 N ATOM 471 CA ILE A 35 47.223 106.086 72.576 1.00 0.00 C ATOM 472 C ILE A 35 46.483 104.743 72.547 1.00 0.00 C ATOM 473 O ILE A 35 45.304 104.654 72.833 1.00 0.00 O ATOM 474 CB ILE A 35 47.319 106.605 74.020 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.113 107.923 74.038 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.023 105.570 74.912 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.543 107.693 73.523 1.00 0.00 C ATOM 0 H ILE A 35 45.636 107.498 72.361 1.00 0.00 H new ATOM 0 HA ILE A 35 48.194 105.903 72.115 1.00 0.00 H new ATOM 0 HB ILE A 35 46.313 106.775 74.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.611 108.666 73.418 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.144 108.322 75.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.084 105.950 75.932 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.457 104.639 74.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.028 105.386 74.532 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.092 108.634 73.542 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.047 106.966 74.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.505 107.315 72.501 1.00 0.00 H new ATOM 489 N ARG A 36 47.194 103.701 72.205 1.00 25.30 N ATOM 490 CA ARG A 36 46.584 102.341 72.150 1.00 25.64 C ATOM 491 C ARG A 36 47.337 101.404 73.097 1.00 23.79 C ATOM 492 O ARG A 36 48.367 100.854 72.758 1.00 25.11 O ATOM 493 CB ARG A 36 46.750 101.884 70.700 1.00 28.66 C ATOM 494 CG ARG A 36 45.838 102.713 69.795 1.00 34.24 C ATOM 495 CD ARG A 36 46.004 102.256 68.343 1.00 37.45 C ATOM 496 NE ARG A 36 45.564 100.832 68.335 1.00 40.12 N ATOM 497 CZ ARG A 36 44.293 100.542 68.293 1.00 40.24 C ATOM 498 NH1 ARG A 36 43.631 100.673 67.177 1.00 39.81 N ATOM 499 NH2 ARG A 36 43.684 100.120 69.368 1.00 39.07 N ATOM 0 H ARG A 36 48.183 103.736 71.959 1.00 25.30 H new ATOM 0 HA ARG A 36 45.537 102.340 72.453 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.789 101.997 70.389 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.504 100.826 70.611 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.800 102.600 70.106 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.084 103.771 69.884 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.399 102.860 67.667 1.00 37.45 H new ATOM 0 HD3 ARG A 36 47.039 102.351 68.015 1.00 37.45 H new ATOM 0 HE ARG A 36 46.257 100.084 68.362 1.00 40.12 H new ATOM 0 HH11 ARG A 36 44.107 101.002 66.337 1.00 39.81 H new ATOM 0 HH12 ARG A 36 42.637 100.446 67.144 1.00 39.81 H new ATOM 0 HH21 ARG A 36 44.202 100.017 70.241 1.00 39.07 H new ATOM 0 HH22 ARG A 36 42.690 99.893 69.335 1.00 39.07 H new ATOM 513 N ILE A 37 46.825 101.231 74.286 1.00 20.73 N ATOM 514 CA ILE A 37 47.492 100.341 75.284 1.00 18.17 C ATOM 515 C ILE A 37 46.926 98.920 75.193 1.00 17.71 C ATOM 516 O ILE A 37 45.768 98.687 75.473 1.00 15.34 O ATOM 517 CB ILE A 37 47.168 100.961 76.648 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.691 102.400 76.699 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.842 100.147 77.755 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.131 103.104 77.937 1.00 16.07 C ATOM 0 H ILE A 37 45.965 101.672 74.613 1.00 20.73 H new ATOM 0 HA ILE A 37 48.566 100.265 75.114 1.00 18.17 H new ATOM 0 HB ILE A 37 46.088 100.958 76.793 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.781 102.401 76.729 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.396 102.937 75.798 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.611 100.589 78.724 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.475 99.121 77.727 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.921 100.150 77.603 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.503 104.128 77.973 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.042 103.115 77.888 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.448 102.571 78.833 1.00 16.07 H new ATOM 532 N GLN A 38 47.745 97.970 74.820 1.00 0.00 N ATOM 533 CA GLN A 38 47.273 96.555 74.727 1.00 0.00 C ATOM 534 C GLN A 38 48.057 95.689 75.718 1.00 0.00 C ATOM 535 O GLN A 38 49.258 95.817 75.856 1.00 0.00 O ATOM 536 CB GLN A 38 47.541 96.125 73.284 1.00 0.00 C ATOM 537 CG GLN A 38 47.059 94.688 73.078 1.00 0.00 C ATOM 538 CD GLN A 38 47.329 94.261 71.634 1.00 0.00 C ATOM 539 OE1 GLN A 38 46.497 94.445 70.768 1.00 0.00 O ATOM 540 NE2 GLN A 38 48.467 93.695 71.336 1.00 0.00 N ATOM 0 H GLN A 38 48.725 98.114 74.575 1.00 0.00 H new ATOM 0 HA GLN A 38 46.217 96.449 74.974 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.027 96.794 72.593 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.606 96.197 73.065 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.572 94.019 73.768 1.00 0.00 H new ATOM 0 HG3 GLN A 38 45.994 94.616 73.297 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.166 93.541 72.063 1.00 0.00 H new ATOM 0 HE22 GLN A 38 48.658 93.407 70.376 1.00 0.00 H new ATOM 549 N ASN A 39 47.370 94.821 76.416 1.00 15.86 N ATOM 550 CA ASN A 39 48.057 93.949 77.416 1.00 17.88 C ATOM 551 C ASN A 39 48.492 92.630 76.770 1.00 18.37 C ATOM 552 O ASN A 39 47.670 91.837 76.351 1.00 18.69 O ATOM 553 CB ASN A 39 47.026 93.705 78.519 1.00 19.10 C ATOM 554 CG ASN A 39 47.681 92.944 79.674 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.668 92.261 79.486 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.171 93.036 80.872 1.00 19.13 N ATOM 0 H ASN A 39 46.363 94.678 76.337 1.00 15.86 H new ATOM 0 HA ASN A 39 48.961 94.414 77.809 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.628 94.655 78.875 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.185 93.135 78.125 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.601 92.535 81.649 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.342 93.609 81.031 1.00 19.13 H new ATOM 563 N ALA A 40 49.775 92.382 76.704 1.00 0.00 N ATOM 564 CA ALA A 40 50.269 91.103 76.108 1.00 0.00 C ATOM 565 C ALA A 40 50.912 90.215 77.185 1.00 0.00 C ATOM 566 O ALA A 40 51.512 89.203 76.876 1.00 0.00 O ATOM 567 CB ALA A 40 51.298 91.519 75.057 1.00 0.00 C ATOM 0 H ALA A 40 50.504 93.012 77.038 1.00 0.00 H new ATOM 0 HA ALA A 40 49.460 90.518 75.670 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.706 90.630 74.575 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.819 92.150 74.308 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.104 92.074 75.537 1.00 0.00 H new ATOM 573 N GLY A 41 50.781 90.572 78.443 1.00 27.60 N ATOM 574 CA GLY A 41 51.373 89.732 79.527 1.00 28.62 C ATOM 575 C GLY A 41 50.423 88.575 79.835 1.00 29.10 C ATOM 576 O GLY A 41 49.408 88.410 79.184 1.00 28.18 O ATOM 0 H GLY A 41 50.290 91.407 78.762 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.345 89.349 79.218 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.537 90.333 80.422 1.00 28.62 H new ATOM 580 N ALA A 42 50.742 87.772 80.819 1.00 0.00 N ATOM 581 CA ALA A 42 49.855 86.623 81.166 1.00 0.00 C ATOM 582 C ALA A 42 48.964 86.986 82.354 1.00 0.00 C ATOM 583 O ALA A 42 47.857 86.502 82.488 1.00 0.00 O ATOM 584 CB ALA A 42 50.805 85.484 81.534 1.00 0.00 C ATOM 0 H ALA A 42 51.578 87.863 81.396 1.00 0.00 H new ATOM 0 HA ALA A 42 49.193 86.349 80.345 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.226 84.600 81.802 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.445 85.254 80.682 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.422 85.784 82.381 1.00 0.00 H new ATOM 590 N VAL A 43 49.450 87.838 83.214 1.00 0.00 N ATOM 591 CA VAL A 43 48.653 88.254 84.409 1.00 0.00 C ATOM 592 C VAL A 43 48.119 89.681 84.205 1.00 0.00 C ATOM 593 O VAL A 43 48.814 90.529 83.681 1.00 0.00 O ATOM 594 CB VAL A 43 49.646 88.188 85.578 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.977 88.653 86.873 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.130 86.746 85.750 1.00 0.00 C ATOM 0 H VAL A 43 50.372 88.269 83.142 1.00 0.00 H new ATOM 0 HA VAL A 43 47.784 87.620 84.587 1.00 0.00 H new ATOM 0 HB VAL A 43 50.490 88.842 85.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.694 88.600 87.692 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.634 89.681 86.757 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.126 88.009 87.094 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.835 86.695 86.579 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.278 86.099 85.958 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.622 86.416 84.835 1.00 0.00 H new ATOM 606 N PRO A 44 46.884 89.899 84.618 1.00 21.08 N ATOM 607 CA PRO A 44 46.287 91.265 84.441 1.00 21.01 C ATOM 608 C PRO A 44 47.207 92.362 84.994 1.00 21.95 C ATOM 609 O PRO A 44 47.894 92.176 85.984 1.00 21.40 O ATOM 610 CB PRO A 44 44.975 91.202 85.222 1.00 20.53 C ATOM 611 CG PRO A 44 45.192 90.118 86.216 1.00 18.90 C ATOM 612 CD PRO A 44 46.030 89.092 85.513 1.00 19.89 C ATOM 0 HA PRO A 44 46.140 91.516 83.391 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.757 92.152 85.710 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.133 90.979 84.567 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.698 90.496 87.105 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.244 89.692 86.545 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.624 88.509 86.216 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.416 88.387 84.953 1.00 19.89 H new ATOM 620 N ALA A 45 47.222 93.500 84.347 1.00 20.91 N ATOM 621 CA ALA A 45 48.095 94.619 84.804 1.00 19.47 C ATOM 622 C ALA A 45 47.341 95.953 84.787 1.00 19.21 C ATOM 623 O ALA A 45 46.442 96.171 83.994 1.00 19.53 O ATOM 624 CB ALA A 45 49.240 94.652 83.791 1.00 18.37 C ATOM 0 H ALA A 45 46.663 93.701 83.518 1.00 20.91 H new ATOM 0 HA ALA A 45 48.438 94.471 85.828 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.934 95.451 84.052 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.765 93.697 83.804 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.838 94.832 82.794 1.00 18.37 H new ATOM 630 N ARG A 46 47.713 96.842 85.668 1.00 0.00 N ATOM 631 CA ARG A 46 47.049 98.175 85.742 1.00 0.00 C ATOM 632 C ARG A 46 48.106 99.277 85.645 1.00 0.00 C ATOM 633 O ARG A 46 49.252 99.077 85.997 1.00 0.00 O ATOM 634 CB ARG A 46 46.363 98.184 87.113 1.00 0.00 C ATOM 635 CG ARG A 46 45.684 99.535 87.362 1.00 0.00 C ATOM 636 CD ARG A 46 44.637 99.377 88.467 1.00 0.00 C ATOM 637 NE ARG A 46 44.462 100.742 89.035 1.00 0.00 N ATOM 638 CZ ARG A 46 45.232 101.147 90.007 1.00 0.00 C ATOM 639 NH1 ARG A 46 44.888 100.930 91.246 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.348 101.769 89.739 1.00 0.00 N ATOM 0 H ARG A 46 48.459 96.699 86.349 1.00 0.00 H new ATOM 0 HA ARG A 46 46.337 98.348 84.935 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.624 97.384 87.162 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.097 97.989 87.895 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.425 100.280 87.651 1.00 0.00 H new ATOM 0 HG3 ARG A 46 45.213 99.893 86.447 1.00 0.00 H new ATOM 0 HD2 ARG A 46 43.698 98.993 88.068 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.971 98.673 89.229 1.00 0.00 H new ATOM 0 HE ARG A 46 43.740 101.360 88.664 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.016 100.443 91.456 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.491 101.247 92.006 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.618 101.938 88.770 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.950 102.086 90.499 1.00 0.00 H new ATOM 654 N LEU A 47 47.731 100.435 85.161 1.00 0.00 N ATOM 655 CA LEU A 47 48.717 101.550 85.029 1.00 0.00 C ATOM 656 C LEU A 47 48.601 102.494 86.224 1.00 0.00 C ATOM 657 O LEU A 47 47.574 103.112 86.438 1.00 0.00 O ATOM 658 CB LEU A 47 48.331 102.268 83.734 1.00 0.00 C ATOM 659 CG LEU A 47 49.445 103.238 83.330 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.315 103.572 81.843 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.324 104.525 84.150 1.00 0.00 C ATOM 0 H LEU A 47 46.784 100.656 84.852 1.00 0.00 H new ATOM 0 HA LEU A 47 49.747 101.194 85.003 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.163 101.541 82.940 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.396 102.810 83.872 1.00 0.00 H new ATOM 0 HG LEU A 47 50.414 102.775 83.518 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.108 104.262 81.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.399 102.657 81.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.346 104.034 81.657 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.117 105.215 83.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.355 104.987 83.962 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.414 104.290 85.211 1.00 0.00 H new ATOM 673 N VAL A 48 49.645 102.607 87.005 1.00 0.00 N ATOM 674 CA VAL A 48 49.597 103.507 88.193 1.00 0.00 C ATOM 675 C VAL A 48 50.310 104.831 87.891 1.00 0.00 C ATOM 676 O VAL A 48 49.971 105.857 88.453 1.00 0.00 O ATOM 677 CB VAL A 48 50.311 102.742 89.315 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.323 103.586 90.592 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.577 101.426 89.588 1.00 0.00 C ATOM 0 H VAL A 48 50.528 102.114 86.870 1.00 0.00 H new ATOM 0 HA VAL A 48 48.574 103.761 88.472 1.00 0.00 H new ATOM 0 HB VAL A 48 51.336 102.533 89.007 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.831 103.038 91.386 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.848 104.523 90.404 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.298 103.799 90.897 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.086 100.884 90.385 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.551 101.637 89.890 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.571 100.818 88.683 1.00 0.00 H new ATOM 689 N ALA A 49 51.299 104.821 87.024 1.00 0.00 N ATOM 690 CA ALA A 49 52.020 106.099 86.726 1.00 0.00 C ATOM 691 C ALA A 49 52.378 106.224 85.239 1.00 0.00 C ATOM 692 O ALA A 49 52.362 105.266 84.492 1.00 0.00 O ATOM 693 CB ALA A 49 53.287 106.045 87.579 1.00 0.00 C ATOM 0 H ALA A 49 51.632 103.999 86.520 1.00 0.00 H new ATOM 0 HA ALA A 49 51.397 106.964 86.953 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.873 106.950 87.417 1.00 0.00 H new ATOM 0 HB2 ALA A 49 53.014 105.973 88.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.879 105.174 87.297 1.00 0.00 H new ATOM 699 N ARG A 50 52.703 107.421 84.825 1.00 18.13 N ATOM 700 CA ARG A 50 53.076 107.678 83.402 1.00 20.89 C ATOM 701 C ARG A 50 54.190 108.733 83.329 1.00 22.46 C ATOM 702 O ARG A 50 54.203 109.692 84.077 1.00 23.35 O ATOM 703 CB ARG A 50 51.786 108.188 82.741 1.00 21.09 C ATOM 704 CG ARG A 50 51.351 109.518 83.368 1.00 22.20 C ATOM 705 CD ARG A 50 49.907 109.825 82.963 1.00 26.75 C ATOM 706 NE ARG A 50 49.779 111.302 83.082 1.00 26.68 N ATOM 707 CZ ARG A 50 49.594 112.029 82.014 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.646 111.721 81.172 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.357 113.063 81.786 1.00 29.05 N ATOM 0 H ARG A 50 52.726 108.246 85.424 1.00 18.13 H new ATOM 0 HA ARG A 50 53.459 106.788 82.902 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.946 108.319 81.671 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.994 107.448 82.857 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.432 109.464 84.454 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.011 110.321 83.039 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.703 109.492 81.945 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.197 109.314 83.614 1.00 26.75 H new ATOM 0 HE ARG A 50 49.836 111.747 83.998 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.050 110.912 81.349 1.00 27.75 H new ATOM 0 HH12 ARG A 50 48.501 112.289 80.337 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.099 113.304 82.443 1.00 29.05 H new ATOM 0 HH22 ARG A 50 50.211 113.630 80.951 1.00 29.05 H new ATOM 723 N HIS A 51 55.123 108.548 82.430 1.00 22.89 N ATOM 724 CA HIS A 51 56.251 109.517 82.289 1.00 23.99 C ATOM 725 C HIS A 51 56.641 109.663 80.812 1.00 24.58 C ATOM 726 O HIS A 51 57.123 108.737 80.190 1.00 24.14 O ATOM 727 CB HIS A 51 57.398 108.912 83.104 1.00 22.92 C ATOM 728 CG HIS A 51 58.605 109.810 83.037 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.889 109.344 83.275 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.738 111.148 82.760 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.730 110.385 83.138 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.081 111.509 82.824 1.00 25.48 N ATOM 0 H HIS A 51 55.151 107.760 81.782 1.00 22.89 H new ATOM 0 HA HIS A 51 55.990 110.515 82.642 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.089 108.781 84.141 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.648 107.924 82.718 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.149 108.386 83.511 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.924 111.819 82.528 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.800 110.320 83.266 1.00 26.28 H new ATOM 740 N TRP A 52 56.433 110.830 80.256 1.00 24.73 N ATOM 741 CA TRP A 52 56.784 111.070 78.823 1.00 24.73 C ATOM 742 C TRP A 52 58.098 111.851 78.696 1.00 25.24 C ATOM 743 O TRP A 52 58.325 112.825 79.389 1.00 25.25 O ATOM 744 CB TRP A 52 55.628 111.910 78.277 1.00 22.37 C ATOM 745 CG TRP A 52 54.511 111.014 77.848 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.346 110.842 78.516 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.437 110.163 76.669 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.561 109.941 77.818 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.191 109.494 76.672 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.324 109.911 75.605 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.836 108.606 75.655 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.970 109.018 74.581 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.729 108.367 74.606 1.00 18.33 C ATOM 0 H TRP A 52 56.031 111.634 80.738 1.00 24.73 H new ATOM 0 HA TRP A 52 56.924 110.134 78.282 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.277 112.603 79.041 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.969 112.511 77.434 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.074 111.328 79.441 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.631 109.643 78.113 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.283 110.408 75.576 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.878 108.107 75.678 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.658 108.832 73.769 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.463 107.681 73.815 1.00 18.33 H new ATOM 764 N GLN A 53 58.955 111.424 77.806 1.00 0.00 N ATOM 765 CA GLN A 53 60.261 112.122 77.603 1.00 0.00 C ATOM 766 C GLN A 53 60.313 112.702 76.186 1.00 0.00 C ATOM 767 O GLN A 53 60.876 112.108 75.284 1.00 0.00 O ATOM 768 CB GLN A 53 61.320 111.030 77.772 1.00 0.00 C ATOM 769 CG GLN A 53 62.715 111.656 77.695 1.00 0.00 C ATOM 770 CD GLN A 53 63.769 110.613 78.076 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.468 109.635 78.732 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.003 110.780 77.687 1.00 0.00 N ATOM 0 H GLN A 53 58.805 110.614 77.205 1.00 0.00 H new ATOM 0 HA GLN A 53 60.413 112.946 78.300 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.188 110.526 78.729 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.206 110.274 76.995 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.903 112.026 76.687 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.778 112.513 78.366 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.258 111.600 77.136 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.713 110.091 77.933 1.00 0.00 H new ATOM 781 N ILE A 54 59.705 113.843 75.979 1.00 28.56 N ATOM 782 CA ILE A 54 59.689 114.457 74.612 1.00 31.69 C ATOM 783 C ILE A 54 60.944 115.313 74.356 1.00 31.35 C ATOM 784 O ILE A 54 61.305 116.168 75.142 1.00 31.20 O ATOM 785 CB ILE A 54 58.385 115.302 74.543 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.508 116.594 75.369 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.191 114.486 75.059 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.277 117.473 75.126 1.00 36.11 C ATOM 0 H ILE A 54 59.218 114.378 76.698 1.00 28.56 H new ATOM 0 HA ILE A 54 59.703 113.693 73.834 1.00 31.69 H new ATOM 0 HB ILE A 54 58.225 115.569 73.499 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.594 116.354 76.429 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.414 117.132 75.090 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.286 115.091 75.004 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.068 113.593 74.446 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.370 114.194 76.094 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.363 118.389 75.711 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.212 117.723 74.067 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.379 116.933 75.427 1.00 36.11 H new ATOM 800 N THR A 55 61.596 115.088 73.242 1.00 32.39 N ATOM 801 CA THR A 55 62.807 115.893 72.890 1.00 32.79 C ATOM 802 C THR A 55 62.535 116.624 71.575 1.00 33.98 C ATOM 803 O THR A 55 62.081 116.039 70.609 1.00 33.62 O ATOM 804 CB THR A 55 63.961 114.897 72.750 1.00 32.44 C ATOM 805 OG1 THR A 55 64.145 114.211 73.980 1.00 30.14 O ATOM 806 CG2 THR A 55 65.249 115.635 72.373 1.00 31.51 C ATOM 0 H THR A 55 61.340 114.377 72.557 1.00 32.39 H new ATOM 0 HA THR A 55 63.053 116.641 73.644 1.00 32.79 H new ATOM 0 HB THR A 55 63.722 114.180 71.965 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.883 113.572 73.891 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.064 114.918 72.276 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.107 116.154 71.425 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.494 116.359 73.150 1.00 31.51 H new ATOM 814 N ASP A 56 62.787 117.910 71.547 1.00 36.19 N ATOM 815 CA ASP A 56 62.520 118.700 70.312 1.00 38.66 C ATOM 816 C ASP A 56 63.739 118.708 69.383 1.00 38.50 C ATOM 817 O ASP A 56 64.816 118.269 69.739 1.00 37.75 O ATOM 818 CB ASP A 56 62.192 120.112 70.801 1.00 41.21 C ATOM 819 CG ASP A 56 61.556 120.915 69.664 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.292 121.373 68.806 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.345 121.057 69.672 1.00 45.04 O ATOM 0 H ASP A 56 63.166 118.444 72.329 1.00 36.19 H new ATOM 0 HA ASP A 56 61.704 118.273 69.730 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.511 120.064 71.651 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.099 120.608 71.147 1.00 41.21 H new ATOM 826 N GLY A 57 63.556 119.195 68.183 1.00 37.51 N ATOM 827 CA GLY A 57 64.667 119.237 67.184 1.00 38.01 C ATOM 828 C GLY A 57 65.837 120.122 67.656 1.00 39.47 C ATOM 829 O GLY A 57 66.882 120.131 67.032 1.00 38.99 O ATOM 0 H GLY A 57 62.669 119.572 67.847 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.029 118.225 67.002 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.287 119.615 66.235 1.00 38.01 H new ATOM 833 N ASN A 58 65.698 120.848 68.746 1.00 0.00 N ATOM 834 CA ASN A 58 66.839 121.694 69.222 1.00 0.00 C ATOM 835 C ASN A 58 67.561 121.023 70.406 1.00 0.00 C ATOM 836 O ASN A 58 68.450 121.601 71.002 1.00 0.00 O ATOM 837 CB ASN A 58 66.217 123.027 69.641 1.00 0.00 C ATOM 838 CG ASN A 58 65.527 123.671 68.436 1.00 0.00 C ATOM 839 OD1 ASN A 58 66.111 123.788 67.378 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.300 124.098 68.553 1.00 0.00 N ATOM 0 H ASN A 58 64.854 120.890 69.318 1.00 0.00 H new ATOM 0 HA ASN A 58 67.590 121.832 68.444 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.497 122.868 70.443 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.987 123.693 70.031 1.00 0.00 H new ATOM 0 HD21 ASN A 58 63.832 124.530 67.756 1.00 0.00 H new ATOM 0 HD22 ASN A 58 63.808 124.000 69.441 1.00 0.00 H new ATOM 847 N GLY A 59 67.203 119.802 70.736 1.00 0.00 N ATOM 848 CA GLY A 59 67.886 119.091 71.860 1.00 0.00 C ATOM 849 C GLY A 59 67.132 119.298 73.177 1.00 0.00 C ATOM 850 O GLY A 59 67.188 118.463 74.061 1.00 0.00 O ATOM 0 H GLY A 59 66.466 119.269 70.273 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.950 118.026 71.636 1.00 0.00 H new ATOM 0 HA3 GLY A 59 68.908 119.457 71.960 1.00 0.00 H new ATOM 854 N ARG A 60 66.431 120.397 73.324 1.00 49.10 N ATOM 855 CA ARG A 60 65.681 120.639 74.600 1.00 50.05 C ATOM 856 C ARG A 60 64.633 119.541 74.799 1.00 49.79 C ATOM 857 O ARG A 60 64.015 119.090 73.852 1.00 48.27 O ATOM 858 CB ARG A 60 65.007 122.007 74.423 1.00 52.38 C ATOM 859 CG ARG A 60 65.710 123.057 75.297 1.00 55.08 C ATOM 860 CD ARG A 60 66.539 123.998 74.414 1.00 57.97 C ATOM 861 NE ARG A 60 65.557 124.637 73.490 1.00 60.72 N ATOM 862 CZ ARG A 60 65.909 125.674 72.781 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.488 126.692 73.358 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.683 125.695 71.496 1.00 61.80 N ATOM 0 H ARG A 60 66.345 121.132 72.622 1.00 49.10 H new ATOM 0 HA ARG A 60 66.333 120.626 75.474 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.046 122.308 73.376 1.00 52.38 H new ATOM 0 HB3 ARG A 60 63.954 121.941 74.696 1.00 52.38 H new ATOM 0 HG2 ARG A 60 64.972 123.628 75.860 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.355 122.565 76.025 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.058 124.745 75.014 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.300 123.449 73.860 1.00 57.97 H new ATOM 0 HE ARG A 60 64.611 124.263 73.413 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.665 126.676 74.362 1.00 62.78 H new ATOM 0 HH12 ARG A 60 66.764 127.503 72.804 1.00 62.78 H new ATOM 0 HH21 ARG A 60 65.231 124.900 71.045 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.959 126.506 70.943 1.00 61.80 H new ATOM 878 N THR A 61 64.435 119.099 76.018 1.00 0.00 N ATOM 879 CA THR A 61 63.432 118.016 76.262 1.00 0.00 C ATOM 880 C THR A 61 62.519 118.379 77.435 1.00 0.00 C ATOM 881 O THR A 61 62.921 119.076 78.349 1.00 0.00 O ATOM 882 CB THR A 61 64.257 116.770 76.600 1.00 0.00 C ATOM 883 OG1 THR A 61 64.998 117.005 77.789 1.00 0.00 O ATOM 884 CG2 THR A 61 65.220 116.455 75.454 1.00 0.00 C ATOM 0 H THR A 61 64.921 119.439 76.848 1.00 0.00 H new ATOM 0 HA THR A 61 62.789 117.861 75.396 1.00 0.00 H new ATOM 0 HB THR A 61 63.586 115.924 76.745 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.525 116.209 78.009 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.803 115.568 75.702 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.652 116.273 74.541 1.00 0.00 H new ATOM 0 HG23 THR A 61 65.892 117.299 75.301 1.00 0.00 H new ATOM 892 N GLU A 62 61.298 117.909 77.418 1.00 0.00 N ATOM 893 CA GLU A 62 60.356 118.221 78.534 1.00 0.00 C ATOM 894 C GLU A 62 59.856 116.921 79.169 1.00 0.00 C ATOM 895 O GLU A 62 59.290 116.070 78.507 1.00 0.00 O ATOM 896 CB GLU A 62 59.202 118.983 77.881 1.00 0.00 C ATOM 897 CG GLU A 62 59.685 120.366 77.443 1.00 0.00 C ATOM 898 CD GLU A 62 58.531 121.129 76.790 1.00 0.00 C ATOM 899 OE1 GLU A 62 58.261 120.873 75.628 1.00 0.00 O ATOM 900 OE2 GLU A 62 57.936 121.954 77.463 1.00 0.00 O ATOM 0 H GLU A 62 60.913 117.322 76.678 1.00 0.00 H new ATOM 0 HA GLU A 62 60.826 118.805 79.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 58.827 118.428 77.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.374 119.081 78.583 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.060 120.920 78.303 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.513 120.268 76.741 1.00 0.00 H new ATOM 907 N GLN A 63 60.073 116.762 80.449 1.00 0.00 N ATOM 908 CA GLN A 63 59.627 115.520 81.145 1.00 0.00 C ATOM 909 C GLN A 63 58.351 115.776 81.951 1.00 0.00 C ATOM 910 O GLN A 63 58.228 116.776 82.633 1.00 0.00 O ATOM 911 CB GLN A 63 60.779 115.175 82.088 1.00 0.00 C ATOM 912 CG GLN A 63 61.986 114.706 81.272 1.00 0.00 C ATOM 913 CD GLN A 63 63.138 114.361 82.216 1.00 0.00 C ATOM 914 OE1 GLN A 63 64.201 114.943 82.134 1.00 0.00 O ATOM 915 NE2 GLN A 63 62.971 113.432 83.118 1.00 0.00 N ATOM 0 H GLN A 63 60.543 117.444 81.045 1.00 0.00 H new ATOM 0 HA GLN A 63 59.400 114.718 80.443 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.047 116.047 82.685 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.472 114.394 82.784 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.718 113.834 80.675 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.293 115.487 80.576 1.00 0.00 H new ATOM 0 HE21 GLN A 63 62.079 112.943 83.187 1.00 0.00 H new ATOM 0 HE22 GLN A 63 63.733 113.195 83.753 1.00 0.00 H new ATOM 924 N VAL A 64 57.405 114.877 81.873 1.00 37.94 N ATOM 925 CA VAL A 64 56.130 115.054 82.632 1.00 37.05 C ATOM 926 C VAL A 64 55.828 113.793 83.446 1.00 36.89 C ATOM 927 O VAL A 64 55.895 112.686 82.950 1.00 36.32 O ATOM 928 CB VAL A 64 55.054 115.298 81.570 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.695 115.495 82.248 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.403 116.554 80.767 1.00 35.74 C ATOM 0 H VAL A 64 57.460 114.025 81.315 1.00 37.94 H new ATOM 0 HA VAL A 64 56.179 115.881 83.340 1.00 37.05 H new ATOM 0 HB VAL A 64 55.007 114.437 80.903 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.932 115.668 81.489 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.441 114.603 82.821 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.743 116.354 82.917 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.637 116.727 80.011 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.452 117.412 81.437 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.369 116.418 80.280 1.00 35.74 H new ATOM 940 N ASP A 65 55.506 113.967 84.701 1.00 0.00 N ATOM 941 CA ASP A 65 55.206 112.803 85.586 1.00 0.00 C ATOM 942 C ASP A 65 53.827 112.967 86.230 1.00 0.00 C ATOM 943 O ASP A 65 53.532 113.980 86.836 1.00 0.00 O ATOM 944 CB ASP A 65 56.299 112.832 86.656 1.00 0.00 C ATOM 945 CG ASP A 65 56.236 111.551 87.492 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.143 111.034 87.671 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.280 111.108 87.940 1.00 0.00 O ATOM 0 H ASP A 65 55.437 114.877 85.156 1.00 0.00 H new ATOM 0 HA ASP A 65 55.191 111.861 85.038 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.279 112.924 86.187 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.170 113.703 87.298 1.00 0.00 H new ATOM 952 N GLY A 66 52.984 111.973 86.108 1.00 31.82 N ATOM 953 CA GLY A 66 51.623 112.055 86.715 1.00 29.07 C ATOM 954 C GLY A 66 51.118 110.641 87.004 1.00 27.67 C ATOM 955 O GLY A 66 51.747 109.665 86.638 1.00 27.18 O ATOM 0 H GLY A 66 53.182 111.104 85.611 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.656 112.638 87.635 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.940 112.567 86.038 1.00 29.07 H new ATOM 959 N GLU A 67 49.991 110.519 87.659 1.00 0.00 N ATOM 960 CA GLU A 67 49.443 109.164 87.972 1.00 0.00 C ATOM 961 C GLU A 67 48.109 108.957 87.248 1.00 0.00 C ATOM 962 O GLU A 67 47.451 109.905 86.866 1.00 0.00 O ATOM 963 CB GLU A 67 49.239 109.160 89.487 1.00 0.00 C ATOM 964 CG GLU A 67 50.601 109.195 90.187 1.00 0.00 C ATOM 965 CD GLU A 67 50.410 109.192 91.710 1.00 0.00 C ATOM 966 OE1 GLU A 67 49.328 109.534 92.162 1.00 0.00 O ATOM 967 OE2 GLU A 67 51.356 108.846 92.401 1.00 0.00 O ATOM 0 H GLU A 67 49.426 111.301 87.991 1.00 0.00 H new ATOM 0 HA GLU A 67 50.108 108.363 87.650 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.642 110.022 89.786 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.687 108.270 89.788 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.196 108.333 89.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.152 110.085 89.883 1.00 0.00 H new ATOM 974 N GLY A 68 47.697 107.723 87.073 1.00 22.62 N ATOM 975 CA GLY A 68 46.392 107.434 86.392 1.00 22.36 C ATOM 976 C GLY A 68 46.271 108.200 85.068 1.00 20.38 C ATOM 977 O GLY A 68 45.868 109.346 85.044 1.00 21.93 O ATOM 0 H GLY A 68 48.213 106.897 87.375 1.00 22.62 H new ATOM 0 HA2 GLY A 68 46.307 106.364 86.204 1.00 22.36 H new ATOM 0 HA3 GLY A 68 45.568 107.709 87.050 1.00 22.36 H new ATOM 981 N VAL A 69 46.614 107.571 83.965 1.00 17.51 N ATOM 982 CA VAL A 69 46.521 108.249 82.620 1.00 15.40 C ATOM 983 C VAL A 69 45.182 108.976 82.447 1.00 17.02 C ATOM 984 O VAL A 69 44.131 108.460 82.759 1.00 17.35 O ATOM 985 CB VAL A 69 46.660 107.129 81.576 1.00 12.26 C ATOM 986 CG1 VAL A 69 48.092 106.591 81.593 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.675 105.990 81.878 1.00 8.21 C ATOM 0 H VAL A 69 46.957 106.611 83.935 1.00 17.51 H new ATOM 0 HA VAL A 69 47.297 109.007 82.513 1.00 15.40 H new ATOM 0 HB VAL A 69 46.433 107.535 80.590 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.191 105.797 80.853 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.786 107.397 81.356 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.320 106.195 82.583 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.786 105.205 81.130 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.884 105.581 82.867 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.655 106.374 81.852 1.00 8.21 H new ATOM 997 N VAL A 70 45.253 110.194 81.964 1.00 17.68 N ATOM 998 CA VAL A 70 44.041 111.062 81.749 1.00 16.81 C ATOM 999 C VAL A 70 43.050 110.943 82.924 1.00 17.08 C ATOM 1000 O VAL A 70 41.848 110.996 82.752 1.00 16.77 O ATOM 1001 CB VAL A 70 43.413 110.647 80.401 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.473 110.682 79.288 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.809 109.243 80.494 1.00 20.55 C ATOM 0 H VAL A 70 46.131 110.641 81.700 1.00 17.68 H new ATOM 0 HA VAL A 70 44.321 112.115 81.713 1.00 16.81 H new ATOM 0 HB VAL A 70 42.619 111.355 80.163 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.018 110.387 78.343 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.874 111.692 79.199 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.280 109.992 79.533 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.372 108.971 79.533 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.589 108.528 80.754 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.035 109.230 81.261 1.00 20.55 H new ATOM 1013 N GLY A 71 43.571 110.827 84.121 1.00 17.30 N ATOM 1014 CA GLY A 71 42.706 110.752 85.338 1.00 16.44 C ATOM 1015 C GLY A 71 42.177 109.334 85.594 1.00 18.03 C ATOM 1016 O GLY A 71 41.202 109.168 86.307 1.00 18.29 O ATOM 0 H GLY A 71 44.573 110.781 84.308 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.275 111.087 86.206 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.865 111.436 85.225 1.00 16.44 H new ATOM 1020 N GLU A 72 42.793 108.312 85.046 1.00 0.00 N ATOM 1021 CA GLU A 72 42.279 106.929 85.309 1.00 0.00 C ATOM 1022 C GLU A 72 43.401 105.882 85.354 1.00 0.00 C ATOM 1023 O GLU A 72 44.438 106.010 84.724 1.00 0.00 O ATOM 1024 CB GLU A 72 41.292 106.614 84.179 1.00 0.00 C ATOM 1025 CG GLU A 72 42.001 106.667 82.830 1.00 0.00 C ATOM 1026 CD GLU A 72 41.203 105.864 81.803 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.262 106.412 81.254 1.00 0.00 O ATOM 1028 OE2 GLU A 72 41.543 104.712 81.586 1.00 0.00 O ATOM 0 H GLU A 72 43.612 108.372 84.441 1.00 0.00 H new ATOM 0 HA GLU A 72 41.802 106.890 86.288 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.857 105.626 84.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.470 107.330 84.194 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.102 107.701 82.500 1.00 0.00 H new ATOM 0 HG3 GLU A 72 43.009 106.262 82.921 1.00 0.00 H new ATOM 1035 N GLN A 73 43.164 104.840 86.103 1.00 13.09 N ATOM 1036 CA GLN A 73 44.140 103.723 86.242 1.00 15.45 C ATOM 1037 C GLN A 73 43.475 102.433 85.732 1.00 15.30 C ATOM 1038 O GLN A 73 43.098 101.580 86.511 1.00 16.40 O ATOM 1039 CB GLN A 73 44.406 103.632 87.746 1.00 18.12 C ATOM 1040 CG GLN A 73 45.194 104.862 88.201 1.00 18.21 C ATOM 1041 CD GLN A 73 45.250 104.896 89.729 1.00 16.98 C ATOM 1042 OE1 GLN A 73 46.191 104.409 90.324 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.277 105.456 90.394 1.00 14.04 N ATOM 0 H GLN A 73 42.307 104.714 86.641 1.00 13.09 H new ATOM 0 HA GLN A 73 45.061 103.873 85.679 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.463 103.570 88.290 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.965 102.724 87.973 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.203 104.833 87.790 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.722 105.769 87.824 1.00 18.21 H new ATOM 0 HE21 GLN A 73 43.487 105.865 89.895 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.306 105.485 91.413 1.00 14.04 H new ATOM 1052 N PRO A 74 43.318 102.355 84.428 1.00 15.25 N ATOM 1053 CA PRO A 74 42.640 101.157 83.843 1.00 16.63 C ATOM 1054 C PRO A 74 43.294 99.839 84.281 1.00 17.41 C ATOM 1055 O PRO A 74 44.503 99.721 84.356 1.00 17.61 O ATOM 1056 CB PRO A 74 42.792 101.344 82.336 1.00 16.18 C ATOM 1057 CG PRO A 74 43.992 102.209 82.178 1.00 16.38 C ATOM 1058 CD PRO A 74 44.032 103.110 83.379 1.00 13.89 C ATOM 0 HA PRO A 74 41.603 101.088 84.172 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.925 100.388 81.830 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.907 101.812 81.905 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.898 101.607 82.115 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.932 102.791 81.259 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.057 103.331 83.676 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.546 104.065 83.176 1.00 13.89 H new ATOM 1066 N TRP A 75 42.484 98.842 84.536 1.00 0.00 N ATOM 1067 CA TRP A 75 43.011 97.503 84.940 1.00 0.00 C ATOM 1068 C TRP A 75 43.016 96.599 83.705 1.00 0.00 C ATOM 1069 O TRP A 75 42.172 95.737 83.549 1.00 0.00 O ATOM 1070 CB TRP A 75 42.017 96.988 85.985 1.00 0.00 C ATOM 1071 CG TRP A 75 42.644 95.889 86.784 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.549 96.067 87.772 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.423 94.451 86.688 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.903 94.833 88.285 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.234 93.805 87.650 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.607 93.653 85.866 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.237 92.418 87.792 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.607 92.255 86.008 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.420 91.639 86.969 1.00 0.00 C ATOM 0 H TRP A 75 41.467 98.900 84.481 1.00 0.00 H new ATOM 0 HA TRP A 75 44.024 97.535 85.341 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.714 97.802 86.644 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.115 96.623 85.493 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.933 97.019 88.107 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.576 94.698 89.040 1.00 0.00 H new ATOM 0 HE3 TRP A 75 40.977 94.117 85.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.867 91.949 88.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 40.976 91.651 85.372 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.415 90.564 87.073 1.00 0.00 H new ATOM 1090 N LEU A 76 43.945 96.822 82.813 1.00 18.07 N ATOM 1091 CA LEU A 76 44.001 96.013 81.557 1.00 17.96 C ATOM 1092 C LEU A 76 44.184 94.524 81.842 1.00 19.47 C ATOM 1093 O LEU A 76 45.170 94.105 82.418 1.00 20.57 O ATOM 1094 CB LEU A 76 45.205 96.552 80.784 1.00 16.79 C ATOM 1095 CG LEU A 76 44.757 97.678 79.852 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.979 98.288 79.171 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.812 97.118 78.786 1.00 15.14 C ATOM 0 H LEU A 76 44.671 97.533 82.900 1.00 18.07 H new ATOM 0 HA LEU A 76 43.069 96.100 80.999 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.960 96.920 81.479 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.667 95.751 80.207 1.00 16.79 H new ATOM 0 HG LEU A 76 44.239 98.442 80.432 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.662 99.091 78.506 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.655 98.688 79.927 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.494 97.521 78.593 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.494 97.922 78.123 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.329 96.353 78.207 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.939 96.679 79.268 1.00 15.14 H new ATOM 1109 N ARG A 77 43.248 93.721 81.406 1.00 0.00 N ATOM 1110 CA ARG A 77 43.360 92.249 81.603 1.00 0.00 C ATOM 1111 C ARG A 77 44.189 91.666 80.454 1.00 0.00 C ATOM 1112 O ARG A 77 44.288 92.279 79.408 1.00 0.00 O ATOM 1113 CB ARG A 77 41.923 91.728 81.550 1.00 0.00 C ATOM 1114 CG ARG A 77 41.257 91.923 82.912 1.00 0.00 C ATOM 1115 CD ARG A 77 39.749 92.101 82.724 1.00 0.00 C ATOM 1116 NE ARG A 77 39.221 90.722 82.530 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.150 90.337 83.169 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.183 90.188 84.465 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.048 90.100 82.512 1.00 0.00 N ATOM 0 H ARG A 77 42.406 94.026 80.919 1.00 0.00 H new ATOM 0 HA ARG A 77 43.844 91.976 82.540 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.362 92.257 80.780 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.918 90.672 81.279 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.455 91.063 83.552 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.677 92.796 83.412 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.296 92.579 83.593 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.530 92.733 81.863 1.00 0.00 H new ATOM 0 HE ARG A 77 39.696 90.078 81.898 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.045 90.372 84.978 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.347 89.887 84.965 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.023 90.216 81.499 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.211 89.799 83.011 1.00 0.00 H new ATOM 1133 N PRO A 78 44.768 90.505 80.675 1.00 23.86 N ATOM 1134 CA PRO A 78 45.596 89.904 79.582 1.00 24.22 C ATOM 1135 C PRO A 78 44.791 89.805 78.276 1.00 24.36 C ATOM 1136 O PRO A 78 43.704 89.263 78.237 1.00 22.27 O ATOM 1137 CB PRO A 78 45.973 88.525 80.109 1.00 25.39 C ATOM 1138 CG PRO A 78 44.906 88.193 81.096 1.00 27.04 C ATOM 1139 CD PRO A 78 44.458 89.495 81.703 1.00 25.13 C ATOM 0 HA PRO A 78 46.473 90.505 79.342 1.00 24.22 H new ATOM 0 HB2 PRO A 78 46.011 87.790 79.305 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.957 88.536 80.578 1.00 25.39 H new ATOM 0 HG2 PRO A 78 44.073 87.686 80.609 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.285 87.518 81.864 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.393 89.479 81.936 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.985 89.701 82.634 1.00 25.13 H new ATOM 1147 N GLY A 79 45.339 90.335 77.211 1.00 24.74 N ATOM 1148 CA GLY A 79 44.639 90.290 75.893 1.00 23.79 C ATOM 1149 C GLY A 79 43.724 91.515 75.720 1.00 23.44 C ATOM 1150 O GLY A 79 43.295 91.815 74.621 1.00 22.44 O ATOM 0 H GLY A 79 46.247 90.800 77.199 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.372 90.261 75.087 1.00 23.79 H new ATOM 0 HA3 GLY A 79 44.049 89.376 75.820 1.00 23.79 H new ATOM 1154 N GLU A 80 43.423 92.227 76.784 1.00 23.31 N ATOM 1155 CA GLU A 80 42.542 93.431 76.659 1.00 21.90 C ATOM 1156 C GLU A 80 43.375 94.670 76.318 1.00 20.95 C ATOM 1157 O GLU A 80 44.584 94.671 76.453 1.00 19.52 O ATOM 1158 CB GLU A 80 41.876 93.587 78.027 1.00 23.06 C ATOM 1159 CG GLU A 80 40.514 94.265 77.863 1.00 23.88 C ATOM 1160 CD GLU A 80 39.575 93.345 77.081 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.675 92.141 77.255 1.00 25.91 O ATOM 1162 OE2 GLU A 80 38.771 93.859 76.321 1.00 29.38 O ATOM 0 H GLU A 80 43.749 92.025 77.729 1.00 23.31 H new ATOM 0 HA GLU A 80 41.807 93.318 75.862 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.753 92.611 78.496 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.511 94.179 78.686 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.088 94.490 78.841 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.629 95.214 77.339 1.00 23.88 H new ATOM 1169 N ALA A 81 42.736 95.723 75.869 1.00 0.00 N ATOM 1170 CA ALA A 81 43.482 96.966 75.509 1.00 0.00 C ATOM 1171 C ALA A 81 42.629 98.206 75.810 1.00 0.00 C ATOM 1172 O ALA A 81 41.414 98.161 75.757 1.00 0.00 O ATOM 1173 CB ALA A 81 43.753 96.849 74.009 1.00 0.00 C ATOM 0 H ALA A 81 41.726 95.774 75.736 1.00 0.00 H new ATOM 0 HA ALA A 81 44.404 97.072 76.080 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.300 97.728 73.668 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.346 95.955 73.815 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.807 96.780 73.473 1.00 0.00 H new ATOM 1179 N PHE A 82 43.261 99.314 76.107 1.00 18.56 N ATOM 1180 CA PHE A 82 42.503 100.571 76.393 1.00 17.00 C ATOM 1181 C PHE A 82 42.904 101.637 75.365 1.00 16.61 C ATOM 1182 O PHE A 82 44.020 101.637 74.879 1.00 15.77 O ATOM 1183 CB PHE A 82 42.929 100.982 77.806 1.00 13.41 C ATOM 1184 CG PHE A 82 42.237 102.269 78.195 1.00 12.03 C ATOM 1185 CD1 PHE A 82 40.973 102.228 78.796 1.00 10.24 C ATOM 1186 CD2 PHE A 82 42.857 103.500 77.951 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.330 103.419 79.153 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.213 104.691 78.308 1.00 8.77 C ATOM 1189 CZ PHE A 82 40.950 104.650 78.909 1.00 9.06 C ATOM 0 H PHE A 82 44.276 99.402 76.164 1.00 18.56 H new ATOM 0 HA PHE A 82 41.422 100.444 76.330 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.677 100.194 78.516 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.010 101.113 77.846 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.495 101.278 78.984 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.832 103.531 77.487 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.355 103.388 79.617 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.691 105.641 78.120 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.453 105.569 79.185 1.00 9.06 H new ATOM 1199 N HIS A 83 42.013 102.537 75.018 1.00 0.00 N ATOM 1200 CA HIS A 83 42.370 103.582 74.008 1.00 0.00 C ATOM 1201 C HIS A 83 41.803 104.952 74.409 1.00 0.00 C ATOM 1202 O HIS A 83 40.667 105.066 74.825 1.00 0.00 O ATOM 1203 CB HIS A 83 41.729 103.086 72.706 1.00 0.00 C ATOM 1204 CG HIS A 83 42.018 104.044 71.581 1.00 0.00 C ATOM 1205 ND1 HIS A 83 42.577 103.628 70.383 1.00 0.00 N ATOM 1206 CD2 HIS A 83 41.819 105.398 71.450 1.00 0.00 C ATOM 1207 CE1 HIS A 83 42.695 104.709 69.592 1.00 0.00 C ATOM 1208 NE2 HIS A 83 42.247 105.814 70.194 1.00 0.00 N ATOM 0 H HIS A 83 41.064 102.592 75.387 1.00 0.00 H new ATOM 0 HA HIS A 83 43.448 103.718 73.917 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.113 102.097 72.458 1.00 0.00 H new ATOM 0 HB3 HIS A 83 40.652 102.985 72.839 1.00 0.00 H new ATOM 0 HD1 HIS A 83 42.850 102.674 70.144 1.00 0.00 H new ATOM 0 HD2 HIS A 83 41.395 106.041 72.207 1.00 0.00 H new ATOM 0 HE1 HIS A 83 43.102 104.687 68.592 1.00 0.00 H new ATOM 1216 N TYR A 84 42.588 105.992 74.256 1.00 21.96 N ATOM 1217 CA TYR A 84 42.106 107.366 74.593 1.00 22.81 C ATOM 1218 C TYR A 84 42.836 108.401 73.724 1.00 25.11 C ATOM 1219 O TYR A 84 43.888 108.128 73.177 1.00 26.65 O ATOM 1220 CB TYR A 84 42.396 107.564 76.090 1.00 19.35 C ATOM 1221 CG TYR A 84 43.885 107.579 76.361 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.558 106.384 76.638 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.585 108.791 76.354 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.932 106.400 76.904 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.959 108.808 76.623 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.633 107.611 76.898 1.00 12.19 C ATOM 1227 OH TYR A 84 47.985 107.626 77.167 1.00 13.46 O ATOM 0 H TYR A 84 43.547 105.946 73.910 1.00 21.96 H new ATOM 0 HA TYR A 84 41.041 107.492 74.396 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.953 108.500 76.428 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.927 106.764 76.663 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.017 105.449 76.647 1.00 12.01 H new ATOM 0 HD2 TYR A 84 44.065 109.713 76.141 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.452 105.477 77.114 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.499 109.743 76.618 1.00 14.00 H new ATOM 0 HH TYR A 84 48.175 108.303 77.849 1.00 13.46 H new ATOM 1237 N THR A 85 42.279 109.578 73.583 1.00 26.58 N ATOM 1238 CA THR A 85 42.933 110.625 72.735 1.00 26.99 C ATOM 1239 C THR A 85 43.602 111.698 73.601 1.00 28.14 C ATOM 1240 O THR A 85 43.058 112.136 74.598 1.00 27.02 O ATOM 1241 CB THR A 85 41.794 111.234 71.915 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.123 110.204 71.203 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.363 112.253 70.926 1.00 21.76 C ATOM 0 H THR A 85 41.400 109.860 74.018 1.00 26.58 H new ATOM 0 HA THR A 85 43.718 110.204 72.107 1.00 26.99 H new ATOM 0 HB THR A 85 41.091 111.733 72.582 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.392 110.592 70.678 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.551 112.686 70.342 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.878 113.043 71.473 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.066 111.757 70.257 1.00 21.76 H new ATOM 1251 N SER A 86 44.780 112.127 73.217 1.00 29.06 N ATOM 1252 CA SER A 86 45.498 113.177 74.002 1.00 29.05 C ATOM 1253 C SER A 86 45.855 114.358 73.090 1.00 29.43 C ATOM 1254 O SER A 86 45.730 114.267 71.879 1.00 29.12 O ATOM 1255 CB SER A 86 46.766 112.492 74.498 1.00 29.12 C ATOM 1256 OG SER A 86 47.611 113.465 75.097 1.00 33.88 O ATOM 0 H SER A 86 45.276 111.793 72.391 1.00 29.06 H new ATOM 0 HA SER A 86 44.896 113.571 74.821 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.516 111.714 75.220 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.280 112.005 73.669 1.00 29.12 H new ATOM 0 HG SER A 86 48.478 113.471 74.640 1.00 33.88 H new ATOM 1262 N GLY A 87 46.309 115.459 73.646 1.00 29.08 N ATOM 1263 CA GLY A 87 46.674 116.628 72.789 1.00 29.89 C ATOM 1264 C GLY A 87 47.918 117.334 73.343 1.00 31.80 C ATOM 1265 O GLY A 87 47.945 117.771 74.478 1.00 31.40 O ATOM 0 H GLY A 87 46.441 115.595 74.648 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.863 116.293 71.769 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.840 117.329 72.746 1.00 29.89 H new ATOM 1269 N VAL A 88 48.943 117.455 72.536 1.00 0.00 N ATOM 1270 CA VAL A 88 50.196 118.143 72.981 1.00 0.00 C ATOM 1271 C VAL A 88 50.595 119.193 71.937 1.00 0.00 C ATOM 1272 O VAL A 88 50.339 119.035 70.758 1.00 0.00 O ATOM 1273 CB VAL A 88 51.256 117.034 73.085 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.629 117.643 73.393 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.879 116.074 74.213 1.00 0.00 C ATOM 0 H VAL A 88 48.966 117.103 71.579 1.00 0.00 H new ATOM 0 HA VAL A 88 50.078 118.661 73.933 1.00 0.00 H new ATOM 0 HB VAL A 88 51.300 116.500 72.136 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.372 116.848 73.464 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.909 118.331 72.595 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.584 118.183 74.339 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.630 115.287 74.288 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.831 116.620 75.155 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.907 115.629 74.002 1.00 0.00 H new ATOM 1285 N LEU A 89 51.215 120.265 72.365 1.00 0.00 N ATOM 1286 CA LEU A 89 51.624 121.332 71.401 1.00 0.00 C ATOM 1287 C LEU A 89 53.148 121.356 71.242 1.00 0.00 C ATOM 1288 O LEU A 89 53.883 121.129 72.185 1.00 0.00 O ATOM 1289 CB LEU A 89 51.131 122.637 72.027 1.00 0.00 C ATOM 1290 CG LEU A 89 51.316 123.784 71.033 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.165 123.780 70.026 1.00 0.00 C ATOM 1292 CD2 LEU A 89 51.327 125.115 71.789 1.00 0.00 C ATOM 0 H LEU A 89 51.455 120.447 73.339 1.00 0.00 H new ATOM 0 HA LEU A 89 51.207 121.169 70.407 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.080 122.546 72.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.683 122.844 72.944 1.00 0.00 H new ATOM 0 HG LEU A 89 52.260 123.657 70.504 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.298 124.598 69.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 50.156 122.832 69.488 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.220 123.907 70.553 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.459 125.934 71.082 1.00 0.00 H new ATOM 0 HD22 LEU A 89 50.382 125.241 72.318 1.00 0.00 H new ATOM 0 HD23 LEU A 89 52.148 125.119 72.506 1.00 0.00 H new ATOM 1304 N LEU A 90 53.624 121.626 70.053 1.00 37.85 N ATOM 1305 CA LEU A 90 55.100 121.665 69.822 1.00 36.74 C ATOM 1306 C LEU A 90 55.510 123.042 69.291 1.00 35.30 C ATOM 1307 O LEU A 90 54.774 123.672 68.555 1.00 35.10 O ATOM 1308 CB LEU A 90 55.366 120.584 68.775 1.00 38.41 C ATOM 1309 CG LEU A 90 55.148 119.205 69.401 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.167 118.135 68.307 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.265 118.925 70.410 1.00 38.08 C ATOM 0 H LEU A 90 53.053 121.821 69.231 1.00 37.85 H new ATOM 0 HA LEU A 90 55.669 121.493 70.736 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.701 120.717 67.922 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.386 120.668 68.400 1.00 38.41 H new ATOM 0 HG LEU A 90 54.183 119.184 69.908 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.012 117.154 68.755 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.373 118.336 67.588 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.130 118.153 67.797 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.113 117.943 70.858 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.229 118.946 69.901 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.250 119.686 71.190 1.00 38.08 H new ATOM 1323 N GLU A 91 56.674 123.517 69.663 1.00 0.00 N ATOM 1324 CA GLU A 91 57.126 124.860 69.183 1.00 0.00 C ATOM 1325 C GLU A 91 57.542 124.799 67.710 1.00 0.00 C ATOM 1326 O GLU A 91 57.492 125.790 67.007 1.00 0.00 O ATOM 1327 CB GLU A 91 58.327 125.218 70.062 1.00 0.00 C ATOM 1328 CG GLU A 91 58.670 126.697 69.883 1.00 0.00 C ATOM 1329 CD GLU A 91 57.573 127.557 70.514 1.00 0.00 C ATOM 1330 OE1 GLU A 91 57.028 127.141 71.524 1.00 0.00 O ATOM 1331 OE2 GLU A 91 57.297 128.617 69.978 1.00 0.00 O ATOM 0 H GLU A 91 57.329 123.034 70.277 1.00 0.00 H new ATOM 0 HA GLU A 91 56.331 125.602 69.253 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.100 125.011 71.108 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.184 124.600 69.794 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.631 126.917 70.348 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.767 126.933 68.823 1.00 0.00 H new ATOM 1338 N THR A 92 57.956 123.648 67.239 1.00 31.63 N ATOM 1339 CA THR A 92 58.379 123.532 65.809 1.00 28.98 C ATOM 1340 C THR A 92 57.566 122.448 65.093 1.00 28.33 C ATOM 1341 O THR A 92 56.806 121.722 65.706 1.00 29.20 O ATOM 1342 CB THR A 92 59.860 123.157 65.854 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.017 121.938 66.566 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.649 124.265 66.555 1.00 25.50 C ATOM 0 H THR A 92 58.019 122.786 67.781 1.00 31.63 H new ATOM 0 HA THR A 92 58.214 124.459 65.260 1.00 28.98 H new ATOM 0 HB THR A 92 60.235 123.035 64.838 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.113 121.198 65.931 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.705 123.996 66.586 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.529 125.200 66.007 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.276 124.390 67.572 1.00 25.50 H new ATOM 1352 N GLU A 93 57.713 122.351 63.796 1.00 0.00 N ATOM 1353 CA GLU A 93 56.943 121.333 63.018 1.00 0.00 C ATOM 1354 C GLU A 93 57.674 119.983 62.977 1.00 0.00 C ATOM 1355 O GLU A 93 57.310 119.107 62.214 1.00 0.00 O ATOM 1356 CB GLU A 93 56.846 121.919 61.608 1.00 0.00 C ATOM 1357 CG GLU A 93 55.787 121.156 60.806 1.00 0.00 C ATOM 1358 CD GLU A 93 55.533 121.866 59.471 1.00 0.00 C ATOM 1359 OE1 GLU A 93 55.748 123.066 59.404 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.121 121.195 58.539 1.00 0.00 O ATOM 0 H GLU A 93 58.336 122.936 63.240 1.00 0.00 H new ATOM 0 HA GLU A 93 55.969 121.139 63.467 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.586 122.976 61.660 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.813 121.853 61.108 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.120 120.134 60.627 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.861 121.094 61.377 1.00 0.00 H new ATOM 1367 N GLN A 94 58.691 119.798 63.786 1.00 0.00 N ATOM 1368 CA GLN A 94 59.423 118.494 63.778 1.00 0.00 C ATOM 1369 C GLN A 94 59.828 118.115 65.204 1.00 0.00 C ATOM 1370 O GLN A 94 60.090 118.984 66.018 1.00 0.00 O ATOM 1371 CB GLN A 94 60.662 118.744 62.919 1.00 0.00 C ATOM 1372 CG GLN A 94 60.245 118.916 61.457 1.00 0.00 C ATOM 1373 CD GLN A 94 61.486 119.167 60.597 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.380 119.885 60.997 1.00 0.00 O ATOM 1375 NE2 GLN A 94 61.578 118.600 59.425 1.00 0.00 N ATOM 0 H GLN A 94 59.043 120.490 64.447 1.00 0.00 H new ATOM 0 HA GLN A 94 58.815 117.677 63.389 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.184 119.636 63.266 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.357 117.910 63.014 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.723 118.024 61.110 1.00 0.00 H new ATOM 0 HG3 GLN A 94 59.549 119.750 61.362 1.00 0.00 H new ATOM 0 HE21 GLN A 94 60.827 117.997 59.090 1.00 0.00 H new ATOM 0 HE22 GLN A 94 62.401 118.760 58.844 1.00 0.00 H new ATOM 1384 N GLY A 95 59.894 116.842 65.525 1.00 27.89 N ATOM 1385 CA GLY A 95 60.296 116.467 66.916 1.00 28.05 C ATOM 1386 C GLY A 95 60.210 114.958 67.154 1.00 27.70 C ATOM 1387 O GLY A 95 59.567 114.227 66.428 1.00 25.89 O ATOM 0 H GLY A 95 59.691 116.064 64.898 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.315 116.805 67.102 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.654 116.983 67.630 1.00 28.05 H new ATOM 1391 N GLN A 96 60.864 114.505 68.195 1.00 0.00 N ATOM 1392 CA GLN A 96 60.849 113.052 68.548 1.00 0.00 C ATOM 1393 C GLN A 96 60.239 112.875 69.942 1.00 0.00 C ATOM 1394 O GLN A 96 60.631 113.545 70.880 1.00 0.00 O ATOM 1395 CB GLN A 96 62.322 112.625 68.574 1.00 0.00 C ATOM 1396 CG GLN A 96 62.988 112.941 67.233 1.00 0.00 C ATOM 1397 CD GLN A 96 64.254 112.095 67.080 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.000 111.923 68.023 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.529 111.558 65.924 1.00 0.00 N ATOM 0 H GLN A 96 61.415 115.089 68.824 1.00 0.00 H new ATOM 0 HA GLN A 96 60.265 112.462 67.842 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.844 113.143 69.379 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.395 111.558 68.782 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.298 112.734 66.415 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.237 114.001 67.179 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.902 111.703 65.132 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.371 110.993 65.811 1.00 0.00 H new ATOM 1408 N MET A 97 59.278 111.997 70.088 1.00 0.00 N ATOM 1409 CA MET A 97 58.642 111.803 71.428 1.00 0.00 C ATOM 1410 C MET A 97 58.704 110.334 71.864 1.00 0.00 C ATOM 1411 O MET A 97 58.129 109.466 71.237 1.00 0.00 O ATOM 1412 CB MET A 97 57.188 112.242 71.233 1.00 0.00 C ATOM 1413 CG MET A 97 56.425 112.111 72.554 1.00 0.00 C ATOM 1414 SD MET A 97 54.691 112.568 72.301 1.00 0.00 S ATOM 1415 CE MET A 97 54.914 114.360 72.390 1.00 0.00 C ATOM 0 H MET A 97 58.908 111.409 69.342 1.00 0.00 H new ATOM 0 HA MET A 97 59.151 112.373 72.205 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.154 113.274 70.884 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.713 111.630 70.466 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.492 111.088 72.924 1.00 0.00 H new ATOM 0 HG3 MET A 97 56.874 112.754 73.311 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.499 114.732 73.327 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.977 114.597 72.344 1.00 0.00 H new ATOM 0 HE3 MET A 97 54.401 114.833 71.553 1.00 0.00 H new ATOM 1425 N GLN A 98 59.380 110.059 72.951 1.00 0.00 N ATOM 1426 CA GLN A 98 59.475 108.664 73.471 1.00 0.00 C ATOM 1427 C GLN A 98 59.105 108.687 74.955 1.00 0.00 C ATOM 1428 O GLN A 98 59.314 109.687 75.619 1.00 0.00 O ATOM 1429 CB GLN A 98 60.943 108.273 73.295 1.00 0.00 C ATOM 1430 CG GLN A 98 61.135 106.810 73.702 1.00 0.00 C ATOM 1431 CD GLN A 98 62.603 106.416 73.526 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.321 107.024 72.755 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.085 105.418 74.214 1.00 0.00 N ATOM 0 H GLN A 98 59.877 110.754 73.507 1.00 0.00 H new ATOM 0 HA GLN A 98 58.815 107.963 72.960 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.246 108.416 72.258 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.577 108.917 73.904 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.832 106.668 74.739 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.500 106.166 73.093 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.484 104.907 74.861 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.063 105.148 74.105 1.00 0.00 H new ATOM 1442 N GLY A 99 58.551 107.623 75.489 1.00 29.62 N ATOM 1443 CA GLY A 99 58.175 107.656 76.940 1.00 28.62 C ATOM 1444 C GLY A 99 57.921 106.250 77.471 1.00 28.62 C ATOM 1445 O GLY A 99 58.040 105.274 76.759 1.00 29.22 O ATOM 0 H GLY A 99 58.347 106.753 74.997 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.972 108.127 77.515 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.282 108.266 77.074 1.00 28.62 H new ATOM 1449 N HIS A 100 57.572 106.148 78.731 1.00 0.00 N ATOM 1450 CA HIS A 100 57.301 104.809 79.328 1.00 0.00 C ATOM 1451 C HIS A 100 56.048 104.869 80.212 1.00 0.00 C ATOM 1452 O HIS A 100 55.683 105.913 80.719 1.00 0.00 O ATOM 1453 CB HIS A 100 58.535 104.485 80.175 1.00 0.00 C ATOM 1454 CG HIS A 100 59.756 104.401 79.300 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.347 105.522 78.742 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.516 103.333 78.891 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.414 105.109 78.033 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.563 103.783 78.090 1.00 0.00 N ATOM 0 H HIS A 100 57.464 106.936 79.369 1.00 0.00 H new ATOM 0 HA HIS A 100 57.122 104.050 78.566 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.675 105.253 80.936 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.388 103.541 80.699 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.330 102.301 79.151 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.070 105.769 77.485 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.287 103.221 77.643 1.00 0.00 H new ATOM 1466 N TYR A 101 55.397 103.751 80.401 1.00 25.77 N ATOM 1467 CA TYR A 101 54.169 103.718 81.255 1.00 25.79 C ATOM 1468 C TYR A 101 54.404 102.806 82.459 1.00 26.52 C ATOM 1469 O TYR A 101 54.767 101.657 82.296 1.00 27.05 O ATOM 1470 CB TYR A 101 53.064 103.137 80.362 1.00 24.67 C ATOM 1471 CG TYR A 101 52.404 104.221 79.530 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.047 105.450 80.106 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.141 103.986 78.175 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.430 106.436 79.328 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.526 104.974 77.397 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.170 106.199 77.974 1.00 23.58 C ATOM 1477 OH TYR A 101 50.559 107.171 77.209 1.00 25.91 O ATOM 0 H TYR A 101 55.664 102.853 79.998 1.00 25.77 H new ATOM 0 HA TYR A 101 53.905 104.706 81.633 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.486 102.377 79.705 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.315 102.643 80.981 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.249 105.635 81.151 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.413 103.041 77.729 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.154 107.381 79.773 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.326 104.791 76.352 1.00 24.17 H new ATOM 0 HH TYR A 101 49.597 106.991 77.159 1.00 25.91 H new ATOM 1487 N ASP A 102 54.174 103.276 83.661 1.00 0.00 N ATOM 1488 CA ASP A 102 54.362 102.394 84.851 1.00 0.00 C ATOM 1489 C ASP A 102 53.119 101.521 85.036 1.00 0.00 C ATOM 1490 O ASP A 102 52.012 102.006 85.177 1.00 0.00 O ATOM 1491 CB ASP A 102 54.562 103.336 86.039 1.00 0.00 C ATOM 1492 CG ASP A 102 55.830 104.165 85.825 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.855 103.577 85.525 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.753 105.375 85.966 1.00 0.00 O ATOM 0 H ASP A 102 53.866 104.226 83.867 1.00 0.00 H new ATOM 0 HA ASP A 102 55.214 101.723 84.745 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.699 103.993 86.145 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.641 102.762 86.962 1.00 0.00 H new ATOM 1499 N MET A 103 53.315 100.229 85.025 1.00 0.00 N ATOM 1500 CA MET A 103 52.180 99.275 85.184 1.00 0.00 C ATOM 1501 C MET A 103 52.402 98.390 86.413 1.00 0.00 C ATOM 1502 O MET A 103 53.502 98.290 86.923 1.00 0.00 O ATOM 1503 CB MET A 103 52.210 98.423 83.913 1.00 0.00 C ATOM 1504 CG MET A 103 51.983 99.310 82.688 1.00 0.00 C ATOM 1505 SD MET A 103 50.267 99.882 82.665 1.00 0.00 S ATOM 1506 CE MET A 103 49.503 98.288 82.280 1.00 0.00 C ATOM 0 H MET A 103 54.228 99.789 84.911 1.00 0.00 H new ATOM 0 HA MET A 103 51.227 99.785 85.322 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.169 97.911 83.830 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.441 97.652 83.963 1.00 0.00 H new ATOM 0 HG2 MET A 103 52.661 100.163 82.713 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.204 98.754 81.777 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.596 98.450 81.698 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.200 97.680 81.704 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.252 97.772 83.207 1.00 0.00 H new ATOM 1516 N VAL A 104 51.364 97.751 86.888 1.00 21.01 N ATOM 1517 CA VAL A 104 51.508 96.868 88.088 1.00 21.69 C ATOM 1518 C VAL A 104 50.630 95.621 87.945 1.00 22.60 C ATOM 1519 O VAL A 104 49.446 95.714 87.681 1.00 22.32 O ATOM 1520 CB VAL A 104 51.042 97.706 89.292 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.099 98.761 89.620 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.701 98.395 88.991 1.00 23.28 C ATOM 0 H VAL A 104 50.423 97.801 86.498 1.00 21.01 H new ATOM 0 HA VAL A 104 52.537 96.529 88.207 1.00 21.69 H new ATOM 0 HB VAL A 104 50.906 97.042 90.146 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.769 99.354 90.473 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.041 98.269 89.863 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.242 99.413 88.758 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.391 98.982 89.856 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.815 99.052 88.129 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.945 97.640 88.775 1.00 23.28 H new ATOM 1532 N ALA A 105 51.200 94.459 88.134 1.00 0.00 N ATOM 1533 CA ALA A 105 50.399 93.200 88.030 1.00 0.00 C ATOM 1534 C ALA A 105 49.496 93.068 89.256 1.00 0.00 C ATOM 1535 O ALA A 105 49.642 93.793 90.223 1.00 0.00 O ATOM 1536 CB ALA A 105 51.429 92.067 87.994 1.00 0.00 C ATOM 0 H ALA A 105 52.187 94.326 88.356 1.00 0.00 H new ATOM 0 HA ALA A 105 49.758 93.184 87.149 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.914 91.109 87.918 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.083 92.197 87.132 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.024 92.087 88.907 1.00 0.00 H new ATOM 1542 N ASP A 106 48.556 92.157 89.219 1.00 0.00 N ATOM 1543 CA ASP A 106 47.630 91.991 90.383 1.00 0.00 C ATOM 1544 C ASP A 106 48.413 91.584 91.634 1.00 0.00 C ATOM 1545 O ASP A 106 48.008 91.869 92.746 1.00 0.00 O ATOM 1546 CB ASP A 106 46.662 90.879 89.971 1.00 0.00 C ATOM 1547 CG ASP A 106 45.500 90.811 90.966 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.728 91.083 92.133 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.404 90.487 90.542 1.00 0.00 O ATOM 0 H ASP A 106 48.389 91.523 88.437 1.00 0.00 H new ATOM 0 HA ASP A 106 47.107 92.917 90.624 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.283 91.067 88.967 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.184 89.922 89.940 1.00 0.00 H new ATOM 1554 N ASP A 107 49.526 90.915 91.466 1.00 0.00 N ATOM 1555 CA ASP A 107 50.329 90.480 92.652 1.00 0.00 C ATOM 1556 C ASP A 107 51.031 91.675 93.313 1.00 0.00 C ATOM 1557 O ASP A 107 51.557 91.559 94.405 1.00 0.00 O ATOM 1558 CB ASP A 107 51.363 89.497 92.097 1.00 0.00 C ATOM 1559 CG ASP A 107 51.895 88.616 93.229 1.00 0.00 C ATOM 1560 OD1 ASP A 107 51.988 89.106 94.343 1.00 0.00 O ATOM 1561 OD2 ASP A 107 52.200 87.466 92.963 1.00 0.00 O ATOM 0 H ASP A 107 49.914 90.651 90.560 1.00 0.00 H new ATOM 0 HA ASP A 107 49.698 90.029 93.418 1.00 0.00 H new ATOM 0 HB2 ASP A 107 50.911 88.877 91.322 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.184 90.042 91.631 1.00 0.00 H new ATOM 1566 N GLY A 108 51.043 92.821 92.672 1.00 30.43 N ATOM 1567 CA GLY A 108 51.710 94.012 93.279 1.00 29.11 C ATOM 1568 C GLY A 108 53.112 94.210 92.684 1.00 29.35 C ATOM 1569 O GLY A 108 53.769 95.195 92.966 1.00 30.17 O ATOM 0 H GLY A 108 50.620 92.980 91.757 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.106 94.902 93.104 1.00 29.11 H new ATOM 0 HA3 GLY A 108 51.782 93.884 94.359 1.00 29.11 H new ATOM 1573 N THR A 109 53.581 93.291 91.868 1.00 0.00 N ATOM 1574 CA THR A 109 54.946 93.449 91.267 1.00 0.00 C ATOM 1575 C THR A 109 55.007 94.736 90.439 1.00 0.00 C ATOM 1576 O THR A 109 54.069 95.076 89.740 1.00 0.00 O ATOM 1577 CB THR A 109 55.137 92.227 90.369 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.743 91.057 91.072 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.608 92.112 89.966 1.00 0.00 C ATOM 0 H THR A 109 53.081 92.445 91.595 1.00 0.00 H new ATOM 0 HA THR A 109 55.725 93.516 92.027 1.00 0.00 H new ATOM 0 HB THR A 109 54.525 92.336 89.473 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.206 90.487 90.483 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.743 91.240 89.326 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.908 93.009 89.425 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.223 92.004 90.860 1.00 0.00 H new ATOM 1587 N GLU A 110 56.097 95.457 90.518 1.00 0.00 N ATOM 1588 CA GLU A 110 56.211 96.728 89.742 1.00 0.00 C ATOM 1589 C GLU A 110 57.022 96.514 88.458 1.00 0.00 C ATOM 1590 O GLU A 110 58.014 95.811 88.445 1.00 0.00 O ATOM 1591 CB GLU A 110 56.932 97.701 90.676 1.00 0.00 C ATOM 1592 CG GLU A 110 56.002 98.085 91.829 1.00 0.00 C ATOM 1593 CD GLU A 110 56.723 99.058 92.764 1.00 0.00 C ATOM 1594 OE1 GLU A 110 57.465 98.592 93.614 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.521 100.251 92.615 1.00 0.00 O ATOM 0 H GLU A 110 56.911 95.221 91.085 1.00 0.00 H new ATOM 0 HA GLU A 110 55.235 97.102 89.432 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.841 97.242 91.065 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.235 98.592 90.127 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.093 98.544 91.440 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.699 97.194 92.378 1.00 0.00 H new ATOM 1602 N PHE A 111 56.602 97.132 87.385 1.00 27.41 N ATOM 1603 CA PHE A 111 57.329 96.999 86.089 1.00 27.50 C ATOM 1604 C PHE A 111 56.881 98.116 85.137 1.00 28.03 C ATOM 1605 O PHE A 111 55.746 98.556 85.171 1.00 27.72 O ATOM 1606 CB PHE A 111 56.977 95.595 85.556 1.00 26.12 C ATOM 1607 CG PHE A 111 55.542 95.537 85.072 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.501 95.329 85.982 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.260 95.693 83.709 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.177 95.275 85.529 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.937 95.638 83.256 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.895 95.430 84.166 1.00 23.73 C ATOM 0 H PHE A 111 55.776 97.730 87.352 1.00 27.41 H new ATOM 0 HA PHE A 111 58.409 97.099 86.193 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.650 95.334 84.739 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.129 94.856 86.343 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.718 95.210 87.033 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.064 95.856 83.007 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.373 95.114 86.231 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.721 95.756 82.205 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.874 95.389 83.818 1.00 23.73 H new ATOM 1622 N ILE A 112 57.775 98.591 84.312 1.00 0.00 N ATOM 1623 CA ILE A 112 57.428 99.702 83.375 1.00 0.00 C ATOM 1624 C ILE A 112 57.155 99.169 81.964 1.00 0.00 C ATOM 1625 O ILE A 112 57.643 98.128 81.571 1.00 0.00 O ATOM 1626 CB ILE A 112 58.657 100.619 83.375 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.935 101.115 84.798 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.397 101.825 82.470 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.292 101.820 84.835 1.00 0.00 C ATOM 0 H ILE A 112 58.736 98.256 84.245 1.00 0.00 H new ATOM 0 HA ILE A 112 56.523 100.224 83.685 1.00 0.00 H new ATOM 0 HB ILE A 112 59.517 100.059 83.008 1.00 0.00 H new ATOM 0 HG12 ILE A 112 58.149 101.799 85.116 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.929 100.277 85.495 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.271 102.476 82.471 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.201 101.482 81.454 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.533 102.377 82.839 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.491 102.173 85.847 1.00 0.00 H new ATOM 0 HD12 ILE A 112 61.073 101.122 84.534 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.280 102.668 84.150 1.00 0.00 H new ATOM 1641 N ALA A 113 56.389 99.902 81.199 1.00 0.00 N ATOM 1642 CA ALA A 113 56.078 99.490 79.800 1.00 0.00 C ATOM 1643 C ALA A 113 56.560 100.591 78.843 1.00 0.00 C ATOM 1644 O ALA A 113 55.887 101.587 78.662 1.00 0.00 O ATOM 1645 CB ALA A 113 54.557 99.348 79.748 1.00 0.00 C ATOM 0 H ALA A 113 55.960 100.781 81.489 1.00 0.00 H new ATOM 0 HA ALA A 113 56.567 98.560 79.509 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.254 99.046 78.745 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.237 98.593 80.467 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.094 100.303 79.995 1.00 0.00 H new ATOM 1651 N PRO A 114 57.729 100.385 78.280 1.00 31.26 N ATOM 1652 CA PRO A 114 58.284 101.420 77.361 1.00 32.26 C ATOM 1653 C PRO A 114 57.366 101.698 76.166 1.00 31.77 C ATOM 1654 O PRO A 114 56.730 100.819 75.618 1.00 33.24 O ATOM 1655 CB PRO A 114 59.610 100.832 76.888 1.00 32.64 C ATOM 1656 CG PRO A 114 59.446 99.361 77.036 1.00 33.31 C ATOM 1657 CD PRO A 114 58.533 99.148 78.210 1.00 32.61 C ATOM 0 HA PRO A 114 58.393 102.379 77.867 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.817 101.105 75.853 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.443 101.200 77.488 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.022 98.925 76.131 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.409 98.878 77.201 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.901 98.271 78.068 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.098 98.989 79.129 1.00 32.61 H new ATOM 1665 N ILE A 115 57.333 102.941 75.762 1.00 30.59 N ATOM 1666 CA ILE A 115 56.505 103.362 74.593 1.00 30.04 C ATOM 1667 C ILE A 115 57.441 103.694 73.432 1.00 30.45 C ATOM 1668 O ILE A 115 58.318 104.537 73.551 1.00 30.15 O ATOM 1669 CB ILE A 115 55.747 104.618 75.040 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.939 104.319 76.308 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.793 105.055 73.927 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.417 105.630 76.899 1.00 28.50 C ATOM 0 H ILE A 115 57.856 103.698 76.203 1.00 30.59 H new ATOM 0 HA ILE A 115 55.812 102.585 74.269 1.00 30.04 H new ATOM 0 HB ILE A 115 56.463 105.413 75.249 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.106 103.656 76.074 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.563 103.802 77.037 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.252 105.948 74.241 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.363 105.275 73.024 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.083 104.254 73.721 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.842 105.419 77.801 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.258 106.277 77.148 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.778 106.129 76.170 1.00 28.50 H new ATOM 1684 N ALA A 116 57.263 103.030 72.314 1.00 30.78 N ATOM 1685 CA ALA A 116 58.143 103.274 71.123 1.00 29.78 C ATOM 1686 C ALA A 116 58.255 104.766 70.801 1.00 29.57 C ATOM 1687 O ALA A 116 57.314 105.518 70.965 1.00 28.51 O ATOM 1688 CB ALA A 116 57.460 102.537 69.968 1.00 27.76 C ATOM 0 H ALA A 116 56.541 102.324 72.173 1.00 30.78 H new ATOM 0 HA ALA A 116 59.159 102.924 71.304 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.044 102.667 69.057 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.389 101.475 70.205 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.459 102.943 69.818 1.00 27.76 H new ATOM 1694 N ALA A 117 59.404 105.190 70.344 1.00 0.00 N ATOM 1695 CA ALA A 117 59.598 106.628 70.005 1.00 0.00 C ATOM 1696 C ALA A 117 59.292 106.873 68.527 1.00 0.00 C ATOM 1697 O ALA A 117 59.937 106.325 67.653 1.00 0.00 O ATOM 1698 CB ALA A 117 61.075 106.898 70.288 1.00 0.00 C ATOM 0 H ALA A 117 60.220 104.597 70.191 1.00 0.00 H new ATOM 0 HA ALA A 117 58.939 107.279 70.579 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.304 107.940 70.064 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.287 106.698 71.338 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.690 106.249 69.664 1.00 0.00 H new ATOM 1704 N PHE A 118 58.327 107.707 68.243 1.00 29.64 N ATOM 1705 CA PHE A 118 57.987 108.015 66.823 1.00 29.08 C ATOM 1706 C PHE A 118 58.429 109.445 66.509 1.00 30.66 C ATOM 1707 O PHE A 118 58.789 110.192 67.400 1.00 30.55 O ATOM 1708 CB PHE A 118 56.466 107.857 66.704 1.00 25.73 C ATOM 1709 CG PHE A 118 55.762 108.756 67.694 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.510 110.093 67.368 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.354 108.250 68.934 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.851 110.924 68.282 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.696 109.080 69.848 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.444 110.417 69.522 1.00 21.66 C ATOM 0 H PHE A 118 57.757 108.190 68.937 1.00 29.64 H new ATOM 0 HA PHE A 118 58.489 107.354 66.116 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.147 108.102 65.691 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.187 106.819 66.884 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.824 110.484 66.411 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.547 107.218 69.185 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.657 111.956 68.031 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.383 108.689 70.805 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.935 111.058 70.227 1.00 21.66 H new ATOM 1724 N VAL A 119 58.414 109.835 65.259 1.00 0.00 N ATOM 1725 CA VAL A 119 58.845 111.222 64.908 1.00 0.00 C ATOM 1726 C VAL A 119 57.659 112.036 64.379 1.00 0.00 C ATOM 1727 O VAL A 119 56.705 111.495 63.854 1.00 0.00 O ATOM 1728 CB VAL A 119 59.922 111.041 63.827 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.338 110.298 62.618 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.438 112.415 63.382 1.00 0.00 C ATOM 0 H VAL A 119 58.124 109.256 64.471 1.00 0.00 H new ATOM 0 HA VAL A 119 59.228 111.768 65.770 1.00 0.00 H new ATOM 0 HB VAL A 119 60.744 110.457 64.240 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.110 110.176 61.858 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.979 109.318 62.932 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.509 110.872 62.204 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.202 112.286 62.615 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.612 113.000 62.977 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.867 112.937 64.237 1.00 0.00 H new ATOM 1740 N LEU A 120 57.727 113.334 64.511 1.00 36.62 N ATOM 1741 CA LEU A 120 56.620 114.205 64.016 1.00 37.66 C ATOM 1742 C LEU A 120 57.123 115.051 62.846 1.00 38.64 C ATOM 1743 O LEU A 120 58.177 115.655 62.917 1.00 37.83 O ATOM 1744 CB LEU A 120 56.228 115.105 65.197 1.00 38.14 C ATOM 1745 CG LEU A 120 55.480 114.296 66.266 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.444 113.354 66.991 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.853 115.257 67.279 1.00 37.30 C ATOM 0 H LEU A 120 58.506 113.831 64.943 1.00 36.62 H new ATOM 0 HA LEU A 120 55.767 113.623 63.665 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.121 115.554 65.631 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.599 115.923 64.845 1.00 38.14 H new ATOM 0 HG LEU A 120 54.703 113.703 65.783 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.900 112.787 67.746 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.890 112.666 66.272 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.230 113.937 67.472 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.321 114.687 68.040 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.636 115.850 67.751 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.155 115.920 66.768 1.00 37.30 H new ATOM 1759 N SER A 121 56.379 115.092 61.770 1.00 0.00 N ATOM 1760 CA SER A 121 56.806 115.895 60.585 1.00 0.00 C ATOM 1761 C SER A 121 55.582 116.323 59.771 1.00 0.00 C ATOM 1762 O SER A 121 55.679 117.125 58.863 1.00 0.00 O ATOM 1763 CB SER A 121 57.692 114.956 59.768 1.00 0.00 C ATOM 1764 OG SER A 121 56.914 113.857 59.310 1.00 0.00 O ATOM 0 H SER A 121 55.491 114.602 61.661 1.00 0.00 H new ATOM 0 HA SER A 121 57.333 116.805 60.870 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.123 115.489 58.921 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.523 114.600 60.377 1.00 0.00 H new ATOM 0 HG SER A 121 57.479 113.253 58.784 1.00 0.00 H new