USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=-0.083) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 32:sc= 0.12 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 1.05 K(o=1.1,f=-8.3!) USER MOD Single : A 64 HIS : no HD1:sc=-0.00289 X(o=-0.0029,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.387 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.965 K(o=0.96,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 1.75 (180deg=1.39) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -130:sc= -2.96! (180deg=-5.49!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0.354 USER MOD Single : A 112 HIS : no HD1:sc= 0.37 K(o=0.37,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 111.558 -2.957 -93.740 1.00 0.00 N ATOM 2 CA MET A 1 110.240 -2.802 -93.051 1.00 0.00 C ATOM 3 C MET A 1 110.400 -1.928 -91.796 1.00 0.00 C ATOM 4 O MET A 1 111.138 -2.298 -90.882 1.00 0.00 O ATOM 5 CB MET A 1 109.618 -4.188 -92.733 1.00 0.00 C ATOM 6 CG MET A 1 108.136 -4.166 -92.320 1.00 0.00 C ATOM 7 SD MET A 1 107.752 -3.525 -90.663 1.00 0.00 S ATOM 8 CE MET A 1 106.006 -4.006 -90.561 1.00 0.00 C ATOM 0 H1 MET A 1 111.440 -3.549 -94.587 1.00 0.00 H new ATOM 0 H2 MET A 1 111.916 -2.021 -94.019 1.00 0.00 H new ATOM 0 H3 MET A 1 112.236 -3.409 -93.094 1.00 0.00 H new ATOM 0 HA MET A 1 109.544 -2.292 -93.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 109.724 -4.825 -93.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 110.194 -4.651 -91.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 107.590 -3.568 -93.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 107.750 -5.183 -92.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.597 -3.691 -89.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 105.449 -3.528 -91.367 1.00 0.00 H new ATOM 0 HE3 MET A 1 105.921 -5.089 -90.654 1.00 0.00 H new ATOM 20 N ARG A 2 109.750 -0.750 -91.760 1.00 0.00 N ATOM 21 CA ARG A 2 109.838 0.231 -90.650 1.00 0.00 C ATOM 22 C ARG A 2 108.533 1.036 -90.481 1.00 0.00 C ATOM 23 O ARG A 2 108.520 2.266 -90.570 1.00 0.00 O ATOM 24 CB ARG A 2 111.091 1.113 -90.855 1.00 0.00 C ATOM 25 CG ARG A 2 111.513 1.857 -89.575 1.00 0.00 C ATOM 26 CD ARG A 2 112.770 2.699 -89.812 1.00 0.00 C ATOM 27 NE ARG A 2 113.160 3.433 -88.591 1.00 0.00 N ATOM 28 CZ ARG A 2 114.196 4.247 -88.455 1.00 0.00 C ATOM 29 NH1 ARG A 2 115.026 4.488 -89.433 1.00 0.00 N ATOM 30 NH2 ARG A 2 114.421 4.841 -87.317 1.00 0.00 N ATOM 0 H ARG A 2 109.136 -0.443 -92.514 1.00 0.00 H new ATOM 0 HA ARG A 2 109.954 -0.298 -89.704 1.00 0.00 H new ATOM 0 HB2 ARG A 2 111.917 0.489 -91.196 1.00 0.00 H new ATOM 0 HB3 ARG A 2 110.893 1.839 -91.643 1.00 0.00 H new ATOM 0 HG2 ARG A 2 110.699 2.500 -89.240 1.00 0.00 H new ATOM 0 HG3 ARG A 2 111.699 1.137 -88.778 1.00 0.00 H new ATOM 0 HD2 ARG A 2 113.589 2.053 -90.128 1.00 0.00 H new ATOM 0 HD3 ARG A 2 112.590 3.406 -90.622 1.00 0.00 H new ATOM 0 HE ARG A 2 112.571 3.299 -87.769 1.00 0.00 H new ATOM 0 HH11 ARG A 2 114.888 4.043 -90.340 1.00 0.00 H new ATOM 0 HH12 ARG A 2 115.813 5.121 -89.290 1.00 0.00 H new ATOM 0 HH21 ARG A 2 113.798 4.680 -86.526 1.00 0.00 H new ATOM 0 HH22 ARG A 2 115.220 5.467 -87.218 1.00 0.00 H new ATOM 44 N GLY A 3 107.416 0.337 -90.272 1.00 0.00 N ATOM 45 CA GLY A 3 106.110 0.959 -90.003 1.00 0.00 C ATOM 46 C GLY A 3 104.977 -0.044 -89.753 1.00 0.00 C ATOM 47 O GLY A 3 104.786 -0.983 -90.529 1.00 0.00 O ATOM 0 H GLY A 3 107.388 -0.683 -90.284 1.00 0.00 H new ATOM 0 HA2 GLY A 3 106.202 1.610 -89.134 1.00 0.00 H new ATOM 0 HA3 GLY A 3 105.840 1.592 -90.848 1.00 0.00 H new ATOM 51 N SER A 4 104.218 0.170 -88.676 1.00 0.00 N ATOM 52 CA SER A 4 103.053 -0.635 -88.264 1.00 0.00 C ATOM 53 C SER A 4 102.051 0.193 -87.439 1.00 0.00 C ATOM 54 O SER A 4 102.387 1.265 -86.923 1.00 0.00 O ATOM 55 CB SER A 4 103.511 -1.868 -87.465 1.00 0.00 C ATOM 56 OG SER A 4 104.211 -1.499 -86.283 1.00 0.00 O ATOM 0 H SER A 4 104.402 0.942 -88.035 1.00 0.00 H new ATOM 0 HA SER A 4 102.543 -0.965 -89.169 1.00 0.00 H new ATOM 0 HB2 SER A 4 102.644 -2.473 -87.200 1.00 0.00 H new ATOM 0 HB3 SER A 4 104.154 -2.488 -88.090 1.00 0.00 H new ATOM 0 HG SER A 4 104.485 -2.306 -85.800 1.00 0.00 H new ATOM 62 N HIS A 5 100.807 -0.290 -87.320 1.00 0.00 N ATOM 63 CA HIS A 5 99.729 0.363 -86.557 1.00 0.00 C ATOM 64 C HIS A 5 98.753 -0.648 -85.931 1.00 0.00 C ATOM 65 O HIS A 5 98.443 -1.680 -86.533 1.00 0.00 O ATOM 66 CB HIS A 5 98.974 1.337 -87.478 1.00 0.00 C ATOM 67 CG HIS A 5 97.860 2.082 -86.780 1.00 0.00 C ATOM 68 ND1 HIS A 5 98.015 2.931 -85.679 1.00 0.00 N ATOM 69 CD2 HIS A 5 96.533 2.000 -87.090 1.00 0.00 C ATOM 70 CE1 HIS A 5 96.778 3.350 -85.361 1.00 0.00 C ATOM 71 NE2 HIS A 5 95.871 2.806 -86.191 1.00 0.00 N ATOM 0 H HIS A 5 100.514 -1.163 -87.759 1.00 0.00 H new ATOM 0 HA HIS A 5 100.187 0.907 -85.731 1.00 0.00 H new ATOM 0 HB2 HIS A 5 99.681 2.058 -87.890 1.00 0.00 H new ATOM 0 HB3 HIS A 5 98.559 0.782 -88.319 1.00 0.00 H new ATOM 0 HD2 HIS A 5 96.090 1.418 -87.884 1.00 0.00 H new ATOM 0 HE1 HIS A 5 96.546 4.028 -84.553 1.00 0.00 H new ATOM 0 HE2 HIS A 5 94.864 2.964 -86.160 1.00 0.00 H new ATOM 79 N HIS A 6 98.236 -0.323 -84.742 1.00 0.00 N ATOM 80 CA HIS A 6 97.125 -1.020 -84.077 1.00 0.00 C ATOM 81 C HIS A 6 96.345 -0.053 -83.168 1.00 0.00 C ATOM 82 O HIS A 6 96.945 0.751 -82.447 1.00 0.00 O ATOM 83 CB HIS A 6 97.659 -2.208 -83.260 1.00 0.00 C ATOM 84 CG HIS A 6 96.561 -3.003 -82.593 1.00 0.00 C ATOM 85 ND1 HIS A 6 96.118 -2.837 -81.276 1.00 0.00 N ATOM 86 CD2 HIS A 6 95.805 -3.968 -83.195 1.00 0.00 C ATOM 87 CE1 HIS A 6 95.108 -3.712 -81.115 1.00 0.00 C ATOM 88 NE2 HIS A 6 94.900 -4.402 -82.249 1.00 0.00 N ATOM 0 H HIS A 6 98.591 0.461 -84.194 1.00 0.00 H new ATOM 0 HA HIS A 6 96.445 -1.396 -84.841 1.00 0.00 H new ATOM 0 HB2 HIS A 6 98.230 -2.866 -83.915 1.00 0.00 H new ATOM 0 HB3 HIS A 6 98.347 -1.839 -82.499 1.00 0.00 H new ATOM 0 HD2 HIS A 6 95.898 -4.322 -84.211 1.00 0.00 H new ATOM 0 HE1 HIS A 6 94.544 -3.841 -80.203 1.00 0.00 H new ATOM 0 HE2 HIS A 6 94.193 -5.124 -82.387 1.00 0.00 H new ATOM 96 N HIS A 7 95.009 -0.130 -83.196 1.00 0.00 N ATOM 97 CA HIS A 7 94.106 0.676 -82.358 1.00 0.00 C ATOM 98 C HIS A 7 92.746 -0.020 -82.150 1.00 0.00 C ATOM 99 O HIS A 7 92.331 -0.847 -82.966 1.00 0.00 O ATOM 100 CB HIS A 7 93.919 2.057 -83.011 1.00 0.00 C ATOM 101 CG HIS A 7 93.170 3.042 -82.146 1.00 0.00 C ATOM 102 ND1 HIS A 7 91.877 3.521 -82.384 1.00 0.00 N ATOM 103 CD2 HIS A 7 93.637 3.589 -80.987 1.00 0.00 C ATOM 104 CE1 HIS A 7 91.596 4.341 -81.357 1.00 0.00 C ATOM 105 NE2 HIS A 7 92.635 4.402 -80.507 1.00 0.00 N ATOM 0 H HIS A 7 94.512 -0.769 -83.816 1.00 0.00 H new ATOM 0 HA HIS A 7 94.554 0.793 -81.371 1.00 0.00 H new ATOM 0 HB2 HIS A 7 94.898 2.470 -83.252 1.00 0.00 H new ATOM 0 HB3 HIS A 7 93.384 1.934 -83.953 1.00 0.00 H new ATOM 0 HD2 HIS A 7 94.603 3.418 -80.535 1.00 0.00 H new ATOM 0 HE1 HIS A 7 90.666 4.876 -81.232 1.00 0.00 H new ATOM 0 HE2 HIS A 7 92.675 4.956 -79.652 1.00 0.00 H new ATOM 113 N HIS A 8 92.042 0.329 -81.067 1.00 0.00 N ATOM 114 CA HIS A 8 90.675 -0.124 -80.761 1.00 0.00 C ATOM 115 C HIS A 8 89.857 0.975 -80.057 1.00 0.00 C ATOM 116 O HIS A 8 90.417 1.863 -79.406 1.00 0.00 O ATOM 117 CB HIS A 8 90.715 -1.414 -79.923 1.00 0.00 C ATOM 118 CG HIS A 8 91.281 -1.240 -78.531 1.00 0.00 C ATOM 119 ND1 HIS A 8 90.528 -1.061 -77.365 1.00 0.00 N ATOM 120 CD2 HIS A 8 92.606 -1.240 -78.205 1.00 0.00 C ATOM 121 CE1 HIS A 8 91.421 -0.948 -76.365 1.00 0.00 C ATOM 122 NE2 HIS A 8 92.674 -1.052 -76.841 1.00 0.00 N ATOM 0 H HIS A 8 92.418 0.955 -80.355 1.00 0.00 H new ATOM 0 HA HIS A 8 90.172 -0.341 -81.703 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.703 -1.812 -79.843 1.00 0.00 H new ATOM 0 HB3 HIS A 8 91.309 -2.158 -80.453 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.438 -1.363 -78.882 1.00 0.00 H new ATOM 0 HE1 HIS A 8 91.167 -0.795 -75.326 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.529 -1.001 -76.287 1.00 0.00 H new ATOM 130 N HIS A 9 88.528 0.922 -80.199 1.00 0.00 N ATOM 131 CA HIS A 9 87.594 1.957 -79.727 1.00 0.00 C ATOM 132 C HIS A 9 86.241 1.387 -79.262 1.00 0.00 C ATOM 133 O HIS A 9 85.815 0.313 -79.699 1.00 0.00 O ATOM 134 CB HIS A 9 87.389 3.002 -80.841 1.00 0.00 C ATOM 135 CG HIS A 9 86.740 2.458 -82.096 1.00 0.00 C ATOM 136 ND1 HIS A 9 87.401 1.797 -83.140 1.00 0.00 N ATOM 137 CD2 HIS A 9 85.410 2.529 -82.395 1.00 0.00 C ATOM 138 CE1 HIS A 9 86.451 1.483 -84.038 1.00 0.00 C ATOM 139 NE2 HIS A 9 85.248 1.910 -83.616 1.00 0.00 N ATOM 0 H HIS A 9 88.058 0.140 -80.656 1.00 0.00 H new ATOM 0 HA HIS A 9 88.040 2.425 -78.849 1.00 0.00 H new ATOM 0 HB2 HIS A 9 86.775 3.814 -80.452 1.00 0.00 H new ATOM 0 HB3 HIS A 9 88.356 3.431 -81.103 1.00 0.00 H new ATOM 0 HD2 HIS A 9 84.636 2.982 -81.793 1.00 0.00 H new ATOM 0 HE1 HIS A 9 86.629 0.962 -84.967 1.00 0.00 H new ATOM 0 HE2 HIS A 9 84.366 1.795 -84.115 1.00 0.00 H new ATOM 147 N HIS A 10 85.558 2.130 -78.385 1.00 0.00 N ATOM 148 CA HIS A 10 84.238 1.810 -77.815 1.00 0.00 C ATOM 149 C HIS A 10 83.513 3.079 -77.318 1.00 0.00 C ATOM 150 O HIS A 10 84.134 4.133 -77.144 1.00 0.00 O ATOM 151 CB HIS A 10 84.410 0.804 -76.658 1.00 0.00 C ATOM 152 CG HIS A 10 85.181 1.340 -75.470 1.00 0.00 C ATOM 153 ND1 HIS A 10 86.575 1.367 -75.342 1.00 0.00 N ATOM 154 CD2 HIS A 10 84.626 1.878 -74.345 1.00 0.00 C ATOM 155 CE1 HIS A 10 86.825 1.924 -74.144 1.00 0.00 C ATOM 156 NE2 HIS A 10 85.674 2.241 -73.525 1.00 0.00 N ATOM 0 H HIS A 10 85.925 3.014 -78.034 1.00 0.00 H new ATOM 0 HA HIS A 10 83.623 1.367 -78.598 1.00 0.00 H new ATOM 0 HB2 HIS A 10 83.424 0.485 -76.321 1.00 0.00 H new ATOM 0 HB3 HIS A 10 84.920 -0.082 -77.036 1.00 0.00 H new ATOM 0 HD2 HIS A 10 83.573 1.996 -74.138 1.00 0.00 H new ATOM 0 HE1 HIS A 10 87.811 2.093 -73.736 1.00 0.00 H new ATOM 0 HE2 HIS A 10 85.590 2.676 -72.606 1.00 0.00 H new ATOM 164 N GLY A 11 82.203 2.979 -77.059 1.00 0.00 N ATOM 165 CA GLY A 11 81.408 4.055 -76.448 1.00 0.00 C ATOM 166 C GLY A 11 79.902 3.761 -76.393 1.00 0.00 C ATOM 167 O GLY A 11 79.329 3.248 -77.359 1.00 0.00 O ATOM 0 H GLY A 11 81.659 2.142 -77.269 1.00 0.00 H new ATOM 0 HA2 GLY A 11 81.771 4.232 -75.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 81.568 4.976 -77.009 1.00 0.00 H new ATOM 171 N SER A 28 79.268 4.113 -75.268 1.00 0.00 N ATOM 172 CA SER A 28 77.829 3.927 -74.990 1.00 0.00 C ATOM 173 C SER A 28 77.269 5.069 -74.126 1.00 0.00 C ATOM 174 O SER A 28 77.986 5.637 -73.297 1.00 0.00 O ATOM 175 CB SER A 28 77.582 2.599 -74.250 1.00 0.00 C ATOM 176 OG SER A 28 77.969 1.476 -75.035 1.00 0.00 O ATOM 0 H SER A 28 79.760 4.554 -74.491 1.00 0.00 H new ATOM 0 HA SER A 28 77.321 3.920 -75.955 1.00 0.00 H new ATOM 0 HB2 SER A 28 78.138 2.596 -73.313 1.00 0.00 H new ATOM 0 HB3 SER A 28 76.526 2.517 -73.994 1.00 0.00 H new ATOM 0 HG SER A 28 77.799 0.652 -74.533 1.00 0.00 H new ATOM 182 N VAL A 29 75.976 5.381 -74.286 1.00 0.00 N ATOM 183 CA VAL A 29 75.230 6.367 -73.473 1.00 0.00 C ATOM 184 C VAL A 29 73.883 5.764 -73.051 1.00 0.00 C ATOM 185 O VAL A 29 73.028 5.495 -73.899 1.00 0.00 O ATOM 186 CB VAL A 29 75.028 7.696 -74.237 1.00 0.00 C ATOM 187 CG1 VAL A 29 74.256 8.723 -73.398 1.00 0.00 C ATOM 188 CG2 VAL A 29 76.366 8.341 -74.626 1.00 0.00 C ATOM 0 H VAL A 29 75.398 4.945 -75.004 1.00 0.00 H new ATOM 0 HA VAL A 29 75.814 6.598 -72.582 1.00 0.00 H new ATOM 0 HB VAL A 29 74.462 7.435 -75.131 1.00 0.00 H new ATOM 0 HG11 VAL A 29 74.135 9.643 -73.970 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.275 8.322 -73.144 1.00 0.00 H new ATOM 0 HG13 VAL A 29 74.809 8.935 -72.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 76.179 9.272 -75.161 1.00 0.00 H new ATOM 0 HG22 VAL A 29 76.945 8.549 -73.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.925 7.660 -75.268 1.00 0.00 H new ATOM 198 N SER A 30 73.700 5.559 -71.739 1.00 0.00 N ATOM 199 CA SER A 30 72.553 4.825 -71.159 1.00 0.00 C ATOM 200 C SER A 30 71.959 5.481 -69.894 1.00 0.00 C ATOM 201 O SER A 30 71.219 4.834 -69.148 1.00 0.00 O ATOM 202 CB SER A 30 72.961 3.368 -70.862 1.00 0.00 C ATOM 203 OG SER A 30 73.499 2.726 -72.013 1.00 0.00 O ATOM 0 H SER A 30 74.353 5.902 -71.034 1.00 0.00 H new ATOM 0 HA SER A 30 71.762 4.854 -71.908 1.00 0.00 H new ATOM 0 HB2 SER A 30 73.698 3.353 -70.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 72.093 2.812 -70.508 1.00 0.00 H new ATOM 0 HG SER A 30 73.748 1.805 -71.788 1.00 0.00 H new ATOM 209 N PHE A 31 72.292 6.750 -69.626 1.00 0.00 N ATOM 210 CA PHE A 31 71.933 7.489 -68.403 1.00 0.00 C ATOM 211 C PHE A 31 70.941 8.644 -68.656 1.00 0.00 C ATOM 212 O PHE A 31 70.765 9.099 -69.790 1.00 0.00 O ATOM 213 CB PHE A 31 73.221 7.962 -67.706 1.00 0.00 C ATOM 214 CG PHE A 31 74.131 8.849 -68.543 1.00 0.00 C ATOM 215 CD1 PHE A 31 73.858 10.225 -68.674 1.00 0.00 C ATOM 216 CD2 PHE A 31 75.261 8.300 -69.183 1.00 0.00 C ATOM 217 CE1 PHE A 31 74.700 11.042 -69.451 1.00 0.00 C ATOM 218 CE2 PHE A 31 76.105 9.118 -69.955 1.00 0.00 C ATOM 219 CZ PHE A 31 75.822 10.489 -70.093 1.00 0.00 C ATOM 0 H PHE A 31 72.839 7.313 -70.277 1.00 0.00 H new ATOM 0 HA PHE A 31 71.397 6.810 -67.740 1.00 0.00 H new ATOM 0 HB2 PHE A 31 72.946 8.504 -66.802 1.00 0.00 H new ATOM 0 HB3 PHE A 31 73.787 7.085 -67.392 1.00 0.00 H new ATOM 0 HD1 PHE A 31 73.000 10.654 -68.177 1.00 0.00 H new ATOM 0 HD2 PHE A 31 75.479 7.247 -69.080 1.00 0.00 H new ATOM 0 HE1 PHE A 31 74.484 12.095 -69.554 1.00 0.00 H new ATOM 0 HE2 PHE A 31 76.971 8.694 -70.442 1.00 0.00 H new ATOM 0 HZ PHE A 31 76.466 11.116 -70.692 1.00 0.00 H new ATOM 229 N GLY A 32 70.304 9.127 -67.581 1.00 0.00 N ATOM 230 CA GLY A 32 69.354 10.250 -67.579 1.00 0.00 C ATOM 231 C GLY A 32 68.058 9.912 -66.834 1.00 0.00 C ATOM 232 O GLY A 32 67.108 9.408 -67.438 1.00 0.00 O ATOM 0 H GLY A 32 70.441 8.731 -66.651 1.00 0.00 H new ATOM 0 HA2 GLY A 32 69.822 11.118 -67.115 1.00 0.00 H new ATOM 0 HA3 GLY A 32 69.119 10.526 -68.607 1.00 0.00 H new ATOM 236 N ALA A 33 68.030 10.177 -65.521 1.00 0.00 N ATOM 237 CA ALA A 33 66.892 9.894 -64.634 1.00 0.00 C ATOM 238 C ALA A 33 66.717 10.978 -63.532 1.00 0.00 C ATOM 239 O ALA A 33 66.890 10.686 -62.341 1.00 0.00 O ATOM 240 CB ALA A 33 67.077 8.475 -64.071 1.00 0.00 C ATOM 0 H ALA A 33 68.817 10.605 -65.034 1.00 0.00 H new ATOM 0 HA ALA A 33 65.959 9.934 -65.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 66.246 8.236 -63.407 1.00 0.00 H new ATOM 0 HB2 ALA A 33 67.104 7.758 -64.892 1.00 0.00 H new ATOM 0 HB3 ALA A 33 68.012 8.424 -63.514 1.00 0.00 H new ATOM 246 N PRO A 34 66.409 12.241 -63.900 1.00 0.00 N ATOM 247 CA PRO A 34 66.208 13.339 -62.948 1.00 0.00 C ATOM 248 C PRO A 34 64.920 13.181 -62.113 1.00 0.00 C ATOM 249 O PRO A 34 63.965 12.511 -62.524 1.00 0.00 O ATOM 250 CB PRO A 34 66.174 14.608 -63.806 1.00 0.00 C ATOM 251 CG PRO A 34 65.588 14.115 -65.128 1.00 0.00 C ATOM 252 CD PRO A 34 66.190 12.717 -65.262 1.00 0.00 C ATOM 0 HA PRO A 34 67.007 13.364 -62.207 1.00 0.00 H new ATOM 0 HB2 PRO A 34 65.555 15.384 -63.355 1.00 0.00 H new ATOM 0 HB3 PRO A 34 67.169 15.032 -63.939 1.00 0.00 H new ATOM 0 HG2 PRO A 34 64.499 14.086 -65.102 1.00 0.00 H new ATOM 0 HG3 PRO A 34 65.870 14.759 -65.961 1.00 0.00 H new ATOM 0 HD2 PRO A 34 65.517 12.053 -65.804 1.00 0.00 H new ATOM 0 HD3 PRO A 34 67.126 12.747 -65.820 1.00 0.00 H new ATOM 260 N SER A 35 64.880 13.834 -60.946 1.00 0.00 N ATOM 261 CA SER A 35 63.730 13.845 -60.021 1.00 0.00 C ATOM 262 C SER A 35 63.637 15.151 -59.199 1.00 0.00 C ATOM 263 O SER A 35 64.666 15.793 -58.947 1.00 0.00 O ATOM 264 CB SER A 35 63.792 12.628 -59.079 1.00 0.00 C ATOM 265 OG SER A 35 64.999 12.602 -58.325 1.00 0.00 O ATOM 0 H SER A 35 65.667 14.386 -60.605 1.00 0.00 H new ATOM 0 HA SER A 35 62.830 13.789 -60.633 1.00 0.00 H new ATOM 0 HB2 SER A 35 62.940 12.651 -58.400 1.00 0.00 H new ATOM 0 HB3 SER A 35 63.709 11.712 -59.664 1.00 0.00 H new ATOM 0 HG SER A 35 65.001 11.817 -57.738 1.00 0.00 H new ATOM 271 N PRO A 36 62.425 15.575 -58.777 1.00 0.00 N ATOM 272 CA PRO A 36 62.225 16.773 -57.957 1.00 0.00 C ATOM 273 C PRO A 36 62.639 16.564 -56.486 1.00 0.00 C ATOM 274 O PRO A 36 62.637 15.440 -55.974 1.00 0.00 O ATOM 275 CB PRO A 36 60.734 17.101 -58.085 1.00 0.00 C ATOM 276 CG PRO A 36 60.096 15.725 -58.267 1.00 0.00 C ATOM 277 CD PRO A 36 61.135 14.974 -59.098 1.00 0.00 C ATOM 0 HA PRO A 36 62.855 17.593 -58.302 1.00 0.00 H new ATOM 0 HB2 PRO A 36 60.354 17.608 -57.198 1.00 0.00 H new ATOM 0 HB3 PRO A 36 60.536 17.754 -58.935 1.00 0.00 H new ATOM 0 HG2 PRO A 36 59.913 15.235 -57.311 1.00 0.00 H new ATOM 0 HG3 PRO A 36 59.137 15.789 -58.781 1.00 0.00 H new ATOM 0 HD2 PRO A 36 61.131 13.911 -58.858 1.00 0.00 H new ATOM 0 HD3 PRO A 36 60.919 15.062 -60.163 1.00 0.00 H new ATOM 285 N LEU A 37 62.965 17.664 -55.795 1.00 0.00 N ATOM 286 CA LEU A 37 63.322 17.693 -54.366 1.00 0.00 C ATOM 287 C LEU A 37 62.966 19.034 -53.685 1.00 0.00 C ATOM 288 O LEU A 37 62.726 20.040 -54.357 1.00 0.00 O ATOM 289 CB LEU A 37 64.808 17.292 -54.193 1.00 0.00 C ATOM 290 CG LEU A 37 65.877 18.118 -54.944 1.00 0.00 C ATOM 291 CD1 LEU A 37 66.154 19.485 -54.313 1.00 0.00 C ATOM 292 CD2 LEU A 37 67.201 17.349 -54.933 1.00 0.00 C ATOM 0 H LEU A 37 62.989 18.588 -56.226 1.00 0.00 H new ATOM 0 HA LEU A 37 62.713 16.956 -53.843 1.00 0.00 H new ATOM 0 HB2 LEU A 37 65.042 17.332 -53.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 64.911 16.252 -54.503 1.00 0.00 H new ATOM 0 HG LEU A 37 65.484 18.277 -55.948 1.00 0.00 H new ATOM 0 HD11 LEU A 37 66.914 20.007 -54.894 1.00 0.00 H new ATOM 0 HD12 LEU A 37 65.237 20.074 -54.304 1.00 0.00 H new ATOM 0 HD13 LEU A 37 66.508 19.349 -53.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 67.961 17.925 -55.461 1.00 0.00 H new ATOM 0 HD22 LEU A 37 67.519 17.187 -53.903 1.00 0.00 H new ATOM 0 HD23 LEU A 37 67.067 16.387 -55.427 1.00 0.00 H new ATOM 304 N SER A 38 62.980 19.037 -52.344 1.00 0.00 N ATOM 305 CA SER A 38 62.719 20.195 -51.462 1.00 0.00 C ATOM 306 C SER A 38 61.320 20.843 -51.602 1.00 0.00 C ATOM 307 O SER A 38 60.472 20.404 -52.384 1.00 0.00 O ATOM 308 CB SER A 38 63.869 21.208 -51.597 1.00 0.00 C ATOM 309 OG SER A 38 63.921 22.065 -50.465 1.00 0.00 O ATOM 0 H SER A 38 63.184 18.190 -51.813 1.00 0.00 H new ATOM 0 HA SER A 38 62.692 19.808 -50.443 1.00 0.00 H new ATOM 0 HB2 SER A 38 64.816 20.678 -51.702 1.00 0.00 H new ATOM 0 HB3 SER A 38 63.733 21.801 -52.502 1.00 0.00 H new ATOM 0 HG SER A 38 63.618 21.577 -49.671 1.00 0.00 H new ATOM 315 N SER A 39 61.061 21.875 -50.786 1.00 0.00 N ATOM 316 CA SER A 39 59.825 22.684 -50.708 1.00 0.00 C ATOM 317 C SER A 39 58.528 21.931 -50.328 1.00 0.00 C ATOM 318 O SER A 39 57.432 22.494 -50.353 1.00 0.00 O ATOM 319 CB SER A 39 59.678 23.520 -51.991 1.00 0.00 C ATOM 320 OG SER A 39 59.044 24.766 -51.733 1.00 0.00 O ATOM 0 H SER A 39 61.757 22.193 -50.112 1.00 0.00 H new ATOM 0 HA SER A 39 59.957 23.341 -49.848 1.00 0.00 H new ATOM 0 HB2 SER A 39 60.662 23.695 -52.427 1.00 0.00 H new ATOM 0 HB3 SER A 39 59.098 22.961 -52.726 1.00 0.00 H new ATOM 0 HG SER A 39 58.967 25.273 -52.568 1.00 0.00 H new ATOM 326 N GLU A 40 58.627 20.656 -49.931 1.00 0.00 N ATOM 327 CA GLU A 40 57.481 19.741 -49.770 1.00 0.00 C ATOM 328 C GLU A 40 56.476 20.187 -48.685 1.00 0.00 C ATOM 329 O GLU A 40 55.273 19.943 -48.810 1.00 0.00 O ATOM 330 CB GLU A 40 58.040 18.339 -49.468 1.00 0.00 C ATOM 331 CG GLU A 40 56.972 17.239 -49.456 1.00 0.00 C ATOM 332 CD GLU A 40 57.615 15.851 -49.262 1.00 0.00 C ATOM 333 OE1 GLU A 40 57.832 15.433 -48.098 1.00 0.00 O ATOM 334 OE2 GLU A 40 57.905 15.161 -50.272 1.00 0.00 O ATOM 0 H GLU A 40 59.521 20.220 -49.707 1.00 0.00 H new ATOM 0 HA GLU A 40 56.907 19.743 -50.696 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.796 18.091 -50.213 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.540 18.358 -48.500 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.258 17.429 -48.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.414 17.258 -50.392 1.00 0.00 H new ATOM 341 N SER A 41 56.961 20.867 -47.641 1.00 0.00 N ATOM 342 CA SER A 41 56.177 21.317 -46.478 1.00 0.00 C ATOM 343 C SER A 41 55.742 22.795 -46.526 1.00 0.00 C ATOM 344 O SER A 41 55.102 23.269 -45.583 1.00 0.00 O ATOM 345 CB SER A 41 56.973 21.027 -45.198 1.00 0.00 C ATOM 346 OG SER A 41 58.237 21.685 -45.228 1.00 0.00 O ATOM 0 H SER A 41 57.944 21.130 -47.577 1.00 0.00 H new ATOM 0 HA SER A 41 55.244 20.753 -46.494 1.00 0.00 H new ATOM 0 HB2 SER A 41 56.406 21.359 -44.329 1.00 0.00 H new ATOM 0 HB3 SER A 41 57.120 19.952 -45.091 1.00 0.00 H new ATOM 0 HG SER A 41 58.728 21.489 -44.403 1.00 0.00 H new ATOM 352 N GLU A 42 56.083 23.540 -47.587 1.00 0.00 N ATOM 353 CA GLU A 42 55.917 25.005 -47.639 1.00 0.00 C ATOM 354 C GLU A 42 55.351 25.581 -48.955 1.00 0.00 C ATOM 355 O GLU A 42 55.071 26.781 -49.011 1.00 0.00 O ATOM 356 CB GLU A 42 57.245 25.688 -47.265 1.00 0.00 C ATOM 357 CG GLU A 42 58.352 25.475 -48.304 1.00 0.00 C ATOM 358 CD GLU A 42 59.654 26.177 -47.874 1.00 0.00 C ATOM 359 OE1 GLU A 42 59.784 27.411 -48.073 1.00 0.00 O ATOM 360 OE2 GLU A 42 60.565 25.504 -47.330 1.00 0.00 O ATOM 0 H GLU A 42 56.483 23.145 -48.438 1.00 0.00 H new ATOM 0 HA GLU A 42 55.141 25.230 -46.907 1.00 0.00 H new ATOM 0 HB2 GLU A 42 57.073 26.757 -47.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 57.583 25.306 -46.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 58.535 24.408 -48.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 58.028 25.861 -49.270 1.00 0.00 H new ATOM 367 N ASP A 43 55.154 24.771 -50.001 1.00 0.00 N ATOM 368 CA ASP A 43 54.759 25.232 -51.346 1.00 0.00 C ATOM 369 C ASP A 43 53.428 26.015 -51.407 1.00 0.00 C ATOM 370 O ASP A 43 53.214 26.835 -52.303 1.00 0.00 O ATOM 371 CB ASP A 43 54.719 24.019 -52.288 1.00 0.00 C ATOM 372 CG ASP A 43 54.439 24.421 -53.747 1.00 0.00 C ATOM 373 OD1 ASP A 43 55.316 25.054 -54.385 1.00 0.00 O ATOM 374 OD2 ASP A 43 53.354 24.075 -54.276 1.00 0.00 O ATOM 0 H ASP A 43 55.265 23.759 -49.941 1.00 0.00 H new ATOM 0 HA ASP A 43 55.512 25.955 -51.660 1.00 0.00 H new ATOM 0 HB2 ASP A 43 55.670 23.490 -52.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 53.949 23.325 -51.951 1.00 0.00 H new ATOM 379 N GLU A 44 52.557 25.797 -50.426 1.00 0.00 N ATOM 380 CA GLU A 44 51.254 26.454 -50.239 1.00 0.00 C ATOM 381 C GLU A 44 51.178 27.383 -49.005 1.00 0.00 C ATOM 382 O GLU A 44 50.127 27.970 -48.732 1.00 0.00 O ATOM 383 CB GLU A 44 50.122 25.405 -50.247 1.00 0.00 C ATOM 384 CG GLU A 44 50.112 24.438 -49.051 1.00 0.00 C ATOM 385 CD GLU A 44 51.203 23.353 -49.156 1.00 0.00 C ATOM 386 OE1 GLU A 44 50.935 22.278 -49.748 1.00 0.00 O ATOM 387 OE2 GLU A 44 52.327 23.566 -48.639 1.00 0.00 O ATOM 0 H GLU A 44 52.748 25.116 -49.691 1.00 0.00 H new ATOM 0 HA GLU A 44 51.123 27.125 -51.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 49.166 25.927 -50.279 1.00 0.00 H new ATOM 0 HB3 GLU A 44 50.197 24.821 -51.164 1.00 0.00 H new ATOM 0 HG2 GLU A 44 50.255 25.004 -48.130 1.00 0.00 H new ATOM 0 HG3 GLU A 44 49.135 23.960 -48.983 1.00 0.00 H new ATOM 394 N ILE A 45 52.276 27.529 -48.254 1.00 0.00 N ATOM 395 CA ILE A 45 52.325 28.264 -46.979 1.00 0.00 C ATOM 396 C ILE A 45 52.786 29.714 -47.200 1.00 0.00 C ATOM 397 O ILE A 45 53.983 30.004 -47.279 1.00 0.00 O ATOM 398 CB ILE A 45 53.188 27.506 -45.939 1.00 0.00 C ATOM 399 CG1 ILE A 45 52.746 26.037 -45.731 1.00 0.00 C ATOM 400 CG2 ILE A 45 53.191 28.241 -44.586 1.00 0.00 C ATOM 401 CD1 ILE A 45 51.301 25.828 -45.253 1.00 0.00 C ATOM 0 H ILE A 45 53.177 27.131 -48.520 1.00 0.00 H new ATOM 0 HA ILE A 45 51.318 28.319 -46.565 1.00 0.00 H new ATOM 0 HB ILE A 45 54.197 27.485 -46.350 1.00 0.00 H new ATOM 0 HG12 ILE A 45 52.877 25.503 -46.672 1.00 0.00 H new ATOM 0 HG13 ILE A 45 53.417 25.576 -45.007 1.00 0.00 H new ATOM 0 HG21 ILE A 45 53.804 27.689 -43.873 1.00 0.00 H new ATOM 0 HG22 ILE A 45 53.600 29.243 -44.717 1.00 0.00 H new ATOM 0 HG23 ILE A 45 52.171 28.313 -44.209 1.00 0.00 H new ATOM 0 HD11 ILE A 45 51.105 24.761 -45.143 1.00 0.00 H new ATOM 0 HD12 ILE A 45 51.160 26.324 -44.293 1.00 0.00 H new ATOM 0 HD13 ILE A 45 50.611 26.250 -45.984 1.00 0.00 H new ATOM 413 N ASN A 46 51.820 30.635 -47.287 1.00 0.00 N ATOM 414 CA ASN A 46 52.038 32.086 -47.340 1.00 0.00 C ATOM 415 C ASN A 46 50.821 32.841 -46.762 1.00 0.00 C ATOM 416 O ASN A 46 49.701 32.687 -47.261 1.00 0.00 O ATOM 417 CB ASN A 46 52.308 32.487 -48.808 1.00 0.00 C ATOM 418 CG ASN A 46 52.637 33.964 -48.998 1.00 0.00 C ATOM 419 OD1 ASN A 46 52.829 34.729 -48.063 1.00 0.00 O ATOM 420 ND2 ASN A 46 52.724 34.413 -50.230 1.00 0.00 N ATOM 0 H ASN A 46 50.832 30.383 -47.324 1.00 0.00 H new ATOM 0 HA ASN A 46 52.900 32.357 -46.730 1.00 0.00 H new ATOM 0 HB2 ASN A 46 53.135 31.889 -49.191 1.00 0.00 H new ATOM 0 HB3 ASN A 46 51.432 32.240 -49.408 1.00 0.00 H new ATOM 0 HD21 ASN A 46 52.950 35.393 -50.401 1.00 0.00 H new ATOM 0 HD22 ASN A 46 52.565 33.782 -51.015 1.00 0.00 H new ATOM 427 N TYR A 47 51.036 33.670 -45.734 1.00 0.00 N ATOM 428 CA TYR A 47 50.032 34.592 -45.186 1.00 0.00 C ATOM 429 C TYR A 47 50.704 35.844 -44.591 1.00 0.00 C ATOM 430 O TYR A 47 51.301 35.782 -43.513 1.00 0.00 O ATOM 431 CB TYR A 47 49.170 33.866 -44.139 1.00 0.00 C ATOM 432 CG TYR A 47 48.062 34.732 -43.563 1.00 0.00 C ATOM 433 CD1 TYR A 47 46.882 34.946 -44.303 1.00 0.00 C ATOM 434 CD2 TYR A 47 48.218 35.341 -42.301 1.00 0.00 C ATOM 435 CE1 TYR A 47 45.859 35.765 -43.786 1.00 0.00 C ATOM 436 CE2 TYR A 47 47.199 36.162 -41.781 1.00 0.00 C ATOM 437 CZ TYR A 47 46.015 36.376 -42.521 1.00 0.00 C ATOM 438 OH TYR A 47 45.034 37.171 -42.008 1.00 0.00 O ATOM 0 H TYR A 47 51.932 33.720 -45.249 1.00 0.00 H new ATOM 0 HA TYR A 47 49.381 34.926 -45.994 1.00 0.00 H new ATOM 0 HB2 TYR A 47 48.728 32.980 -44.594 1.00 0.00 H new ATOM 0 HB3 TYR A 47 49.811 33.522 -43.327 1.00 0.00 H new ATOM 0 HD1 TYR A 47 46.761 34.480 -45.270 1.00 0.00 H new ATOM 0 HD2 TYR A 47 49.121 35.177 -41.732 1.00 0.00 H new ATOM 0 HE1 TYR A 47 44.956 35.926 -44.356 1.00 0.00 H new ATOM 0 HE2 TYR A 47 47.323 36.629 -40.815 1.00 0.00 H new ATOM 0 HH TYR A 47 45.310 37.506 -41.129 1.00 0.00 H new ATOM 448 N MET A 48 50.573 36.977 -45.301 1.00 0.00 N ATOM 449 CA MET A 48 51.153 38.299 -44.987 1.00 0.00 C ATOM 450 C MET A 48 52.701 38.341 -44.903 1.00 0.00 C ATOM 451 O MET A 48 53.380 37.325 -44.731 1.00 0.00 O ATOM 452 CB MET A 48 50.432 38.890 -43.753 1.00 0.00 C ATOM 453 CG MET A 48 50.651 40.393 -43.510 1.00 0.00 C ATOM 454 SD MET A 48 50.373 41.502 -44.924 1.00 0.00 S ATOM 455 CE MET A 48 48.590 41.281 -45.179 1.00 0.00 C ATOM 0 H MET A 48 50.027 36.999 -46.162 1.00 0.00 H new ATOM 0 HA MET A 48 50.967 38.948 -45.842 1.00 0.00 H new ATOM 0 HB2 MET A 48 49.362 38.710 -43.859 1.00 0.00 H new ATOM 0 HB3 MET A 48 50.761 38.346 -42.868 1.00 0.00 H new ATOM 0 HG2 MET A 48 49.993 40.705 -42.699 1.00 0.00 H new ATOM 0 HG3 MET A 48 51.674 40.535 -43.163 1.00 0.00 H new ATOM 0 HE1 MET A 48 48.263 41.898 -46.016 1.00 0.00 H new ATOM 0 HE2 MET A 48 48.381 40.234 -45.397 1.00 0.00 H new ATOM 0 HE3 MET A 48 48.054 41.578 -44.278 1.00 0.00 H new ATOM 465 N THR A 49 53.274 39.541 -45.046 1.00 0.00 N ATOM 466 CA THR A 49 54.727 39.816 -44.999 1.00 0.00 C ATOM 467 C THR A 49 55.058 40.961 -44.015 1.00 0.00 C ATOM 468 O THR A 49 55.544 42.023 -44.424 1.00 0.00 O ATOM 469 CB THR A 49 55.284 40.073 -46.418 1.00 0.00 C ATOM 470 OG1 THR A 49 54.479 40.998 -47.134 1.00 0.00 O ATOM 471 CG2 THR A 49 55.333 38.784 -47.244 1.00 0.00 C ATOM 0 H THR A 49 52.723 40.385 -45.204 1.00 0.00 H new ATOM 0 HA THR A 49 55.229 38.928 -44.614 1.00 0.00 H new ATOM 0 HB THR A 49 56.288 40.473 -46.277 1.00 0.00 H new ATOM 0 HG1 THR A 49 54.859 41.140 -48.026 1.00 0.00 H new ATOM 0 HG21 THR A 49 55.730 39.002 -48.236 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.977 38.058 -46.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 54.328 38.373 -47.338 1.00 0.00 H new ATOM 479 N PRO A 50 54.771 40.794 -42.704 1.00 0.00 N ATOM 480 CA PRO A 50 54.955 41.849 -41.705 1.00 0.00 C ATOM 481 C PRO A 50 56.445 42.122 -41.394 1.00 0.00 C ATOM 482 O PRO A 50 57.275 41.213 -41.509 1.00 0.00 O ATOM 483 CB PRO A 50 54.208 41.354 -40.463 1.00 0.00 C ATOM 484 CG PRO A 50 54.374 39.837 -40.548 1.00 0.00 C ATOM 485 CD PRO A 50 54.312 39.570 -42.053 1.00 0.00 C ATOM 0 HA PRO A 50 54.570 42.802 -42.068 1.00 0.00 H new ATOM 0 HB2 PRO A 50 54.638 41.757 -39.546 1.00 0.00 H new ATOM 0 HB3 PRO A 50 53.158 41.647 -40.479 1.00 0.00 H new ATOM 0 HG2 PRO A 50 55.321 39.510 -40.118 1.00 0.00 H new ATOM 0 HG3 PRO A 50 53.583 39.313 -40.012 1.00 0.00 H new ATOM 0 HD2 PRO A 50 54.944 38.724 -42.325 1.00 0.00 H new ATOM 0 HD3 PRO A 50 53.297 39.322 -42.363 1.00 0.00 H new ATOM 493 N PRO A 51 56.802 43.346 -40.952 1.00 0.00 N ATOM 494 CA PRO A 51 58.146 43.659 -40.468 1.00 0.00 C ATOM 495 C PRO A 51 58.391 43.003 -39.095 1.00 0.00 C ATOM 496 O PRO A 51 57.735 43.330 -38.103 1.00 0.00 O ATOM 497 CB PRO A 51 58.209 45.189 -40.420 1.00 0.00 C ATOM 498 CG PRO A 51 56.759 45.605 -40.165 1.00 0.00 C ATOM 499 CD PRO A 51 55.948 44.525 -40.883 1.00 0.00 C ATOM 0 HA PRO A 51 58.932 43.267 -41.114 1.00 0.00 H new ATOM 0 HB2 PRO A 51 58.871 45.538 -39.627 1.00 0.00 H new ATOM 0 HB3 PRO A 51 58.586 45.604 -41.355 1.00 0.00 H new ATOM 0 HG2 PRO A 51 56.532 45.636 -39.099 1.00 0.00 H new ATOM 0 HG3 PRO A 51 56.549 46.597 -40.565 1.00 0.00 H new ATOM 0 HD2 PRO A 51 55.027 44.306 -40.342 1.00 0.00 H new ATOM 0 HD3 PRO A 51 55.660 44.855 -41.881 1.00 0.00 H new ATOM 507 N GLU A 52 59.346 42.069 -39.038 1.00 0.00 N ATOM 508 CA GLU A 52 59.690 41.274 -37.848 1.00 0.00 C ATOM 509 C GLU A 52 61.215 41.180 -37.659 1.00 0.00 C ATOM 510 O GLU A 52 61.966 41.074 -38.634 1.00 0.00 O ATOM 511 CB GLU A 52 59.090 39.856 -37.961 1.00 0.00 C ATOM 512 CG GLU A 52 57.561 39.776 -37.825 1.00 0.00 C ATOM 513 CD GLU A 52 57.087 39.789 -36.354 1.00 0.00 C ATOM 514 OE1 GLU A 52 57.475 40.691 -35.573 1.00 0.00 O ATOM 515 OE2 GLU A 52 56.313 38.882 -35.961 1.00 0.00 O ATOM 0 H GLU A 52 59.923 41.835 -39.846 1.00 0.00 H new ATOM 0 HA GLU A 52 59.268 41.778 -36.978 1.00 0.00 H new ATOM 0 HB2 GLU A 52 59.375 39.435 -38.925 1.00 0.00 H new ATOM 0 HB3 GLU A 52 59.540 39.227 -37.193 1.00 0.00 H new ATOM 0 HG2 GLU A 52 57.110 40.615 -38.354 1.00 0.00 H new ATOM 0 HG3 GLU A 52 57.205 38.866 -38.308 1.00 0.00 H new ATOM 522 N GLN A 53 61.676 41.212 -36.400 1.00 0.00 N ATOM 523 CA GLN A 53 63.108 41.184 -36.051 1.00 0.00 C ATOM 524 C GLN A 53 63.433 40.450 -34.733 1.00 0.00 C ATOM 525 O GLN A 53 64.529 39.905 -34.588 1.00 0.00 O ATOM 526 CB GLN A 53 63.613 42.641 -36.015 1.00 0.00 C ATOM 527 CG GLN A 53 65.145 42.758 -35.935 1.00 0.00 C ATOM 528 CD GLN A 53 65.609 44.209 -36.063 1.00 0.00 C ATOM 529 OE1 GLN A 53 65.875 44.897 -35.085 1.00 0.00 O ATOM 530 NE2 GLN A 53 65.717 44.739 -37.265 1.00 0.00 N ATOM 0 H GLN A 53 61.062 41.258 -35.587 1.00 0.00 H new ATOM 0 HA GLN A 53 63.625 40.602 -36.815 1.00 0.00 H new ATOM 0 HB2 GLN A 53 63.263 43.161 -36.907 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.173 43.149 -35.157 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.492 42.347 -34.987 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.597 42.160 -36.726 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.499 44.180 -38.090 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.018 45.708 -37.370 1.00 0.00 H new ATOM 539 N GLU A 54 62.500 40.414 -33.775 1.00 0.00 N ATOM 540 CA GLU A 54 62.699 39.863 -32.425 1.00 0.00 C ATOM 541 C GLU A 54 61.500 39.013 -31.964 1.00 0.00 C ATOM 542 O GLU A 54 60.340 39.339 -32.229 1.00 0.00 O ATOM 543 CB GLU A 54 62.942 40.999 -31.412 1.00 0.00 C ATOM 544 CG GLU A 54 64.220 41.804 -31.682 1.00 0.00 C ATOM 545 CD GLU A 54 64.439 42.863 -30.584 1.00 0.00 C ATOM 546 OE1 GLU A 54 63.881 43.983 -30.690 1.00 0.00 O ATOM 547 OE2 GLU A 54 65.176 42.586 -29.606 1.00 0.00 O ATOM 0 H GLU A 54 61.558 40.777 -33.919 1.00 0.00 H new ATOM 0 HA GLU A 54 63.574 39.215 -32.470 1.00 0.00 H new ATOM 0 HB2 GLU A 54 62.087 41.675 -31.426 1.00 0.00 H new ATOM 0 HB3 GLU A 54 62.996 40.574 -30.410 1.00 0.00 H new ATOM 0 HG2 GLU A 54 65.077 41.132 -31.722 1.00 0.00 H new ATOM 0 HG3 GLU A 54 64.150 42.291 -32.655 1.00 0.00 H new ATOM 554 N ALA A 55 61.800 37.936 -31.232 1.00 0.00 N ATOM 555 CA ALA A 55 60.839 37.002 -30.630 1.00 0.00 C ATOM 556 C ALA A 55 61.258 36.625 -29.187 1.00 0.00 C ATOM 557 O ALA A 55 61.280 35.452 -28.808 1.00 0.00 O ATOM 558 CB ALA A 55 60.683 35.799 -31.574 1.00 0.00 C ATOM 0 H ALA A 55 62.766 37.678 -31.032 1.00 0.00 H new ATOM 0 HA ALA A 55 59.859 37.467 -30.520 1.00 0.00 H new ATOM 0 HB1 ALA A 55 59.973 35.091 -31.147 1.00 0.00 H new ATOM 0 HB2 ALA A 55 60.317 36.141 -32.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 61.649 35.311 -31.704 1.00 0.00 H new ATOM 564 N GLN A 56 61.667 37.635 -28.404 1.00 0.00 N ATOM 565 CA GLN A 56 62.285 37.483 -27.075 1.00 0.00 C ATOM 566 C GLN A 56 61.850 38.604 -26.097 1.00 0.00 C ATOM 567 O GLN A 56 62.678 39.408 -25.661 1.00 0.00 O ATOM 568 CB GLN A 56 63.817 37.344 -27.239 1.00 0.00 C ATOM 569 CG GLN A 56 64.508 38.454 -28.058 1.00 0.00 C ATOM 570 CD GLN A 56 66.015 38.236 -28.135 1.00 0.00 C ATOM 571 OE1 GLN A 56 66.796 38.806 -27.383 1.00 0.00 O ATOM 572 NE2 GLN A 56 66.491 37.382 -29.021 1.00 0.00 N ATOM 0 H GLN A 56 61.574 38.611 -28.686 1.00 0.00 H new ATOM 0 HA GLN A 56 61.924 36.567 -26.606 1.00 0.00 H new ATOM 0 HB2 GLN A 56 64.269 37.316 -26.247 1.00 0.00 H new ATOM 0 HB3 GLN A 56 64.027 36.385 -27.712 1.00 0.00 H new ATOM 0 HG2 GLN A 56 64.091 38.478 -29.065 1.00 0.00 H new ATOM 0 HG3 GLN A 56 64.302 39.424 -27.605 1.00 0.00 H new ATOM 0 HE21 GLN A 56 65.856 36.898 -29.655 1.00 0.00 H new ATOM 0 HE22 GLN A 56 67.494 37.206 -29.072 1.00 0.00 H new ATOM 581 N PRO A 57 60.545 38.704 -25.766 1.00 0.00 N ATOM 582 CA PRO A 57 59.969 39.817 -25.002 1.00 0.00 C ATOM 583 C PRO A 57 60.212 39.674 -23.482 1.00 0.00 C ATOM 584 O PRO A 57 59.285 39.504 -22.684 1.00 0.00 O ATOM 585 CB PRO A 57 58.497 39.821 -25.427 1.00 0.00 C ATOM 586 CG PRO A 57 58.186 38.332 -25.564 1.00 0.00 C ATOM 587 CD PRO A 57 59.476 37.796 -26.183 1.00 0.00 C ATOM 0 HA PRO A 57 60.435 40.779 -25.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 57.862 40.301 -24.683 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.347 40.354 -26.366 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.972 37.869 -24.601 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.321 38.152 -26.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 59.676 36.780 -25.844 1.00 0.00 H new ATOM 0 HD3 PRO A 57 59.399 37.760 -27.270 1.00 0.00 H new ATOM 595 N GLY A 58 61.486 39.729 -23.081 1.00 0.00 N ATOM 596 CA GLY A 58 61.972 39.424 -21.730 1.00 0.00 C ATOM 597 C GLY A 58 62.212 37.923 -21.495 1.00 0.00 C ATOM 598 O GLY A 58 61.623 37.067 -22.162 1.00 0.00 O ATOM 0 H GLY A 58 62.239 39.998 -23.715 1.00 0.00 H new ATOM 0 HA2 GLY A 58 62.902 39.965 -21.555 1.00 0.00 H new ATOM 0 HA3 GLY A 58 61.249 39.788 -21.000 1.00 0.00 H new ATOM 602 N ALA A 59 63.106 37.605 -20.551 1.00 0.00 N ATOM 603 CA ALA A 59 63.507 36.239 -20.197 1.00 0.00 C ATOM 604 C ALA A 59 63.986 36.140 -18.733 1.00 0.00 C ATOM 605 O ALA A 59 64.515 37.102 -18.170 1.00 0.00 O ATOM 606 CB ALA A 59 64.612 35.788 -21.162 1.00 0.00 C ATOM 0 H ALA A 59 63.585 38.314 -19.995 1.00 0.00 H new ATOM 0 HA ALA A 59 62.641 35.583 -20.287 1.00 0.00 H new ATOM 0 HB1 ALA A 59 64.922 34.773 -20.912 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.234 35.811 -22.184 1.00 0.00 H new ATOM 0 HB3 ALA A 59 65.466 36.459 -21.076 1.00 0.00 H new ATOM 612 N LEU A 60 63.825 34.954 -18.137 1.00 0.00 N ATOM 613 CA LEU A 60 64.310 34.598 -16.793 1.00 0.00 C ATOM 614 C LEU A 60 65.611 33.770 -16.874 1.00 0.00 C ATOM 615 O LEU A 60 65.921 33.172 -17.907 1.00 0.00 O ATOM 616 CB LEU A 60 63.203 33.851 -16.016 1.00 0.00 C ATOM 617 CG LEU A 60 62.153 34.750 -15.328 1.00 0.00 C ATOM 618 CD1 LEU A 60 61.296 35.564 -16.300 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.212 33.880 -14.494 1.00 0.00 C ATOM 0 H LEU A 60 63.335 34.184 -18.592 1.00 0.00 H new ATOM 0 HA LEU A 60 64.549 35.512 -16.250 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.688 33.182 -16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.674 33.226 -15.257 1.00 0.00 H new ATOM 0 HG LEU A 60 62.717 35.456 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.584 36.169 -15.739 1.00 0.00 H new ATOM 0 HD12 LEU A 60 61.938 36.216 -16.893 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.755 34.888 -16.962 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.469 34.511 -14.007 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.709 33.163 -15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.786 33.345 -13.737 1.00 0.00 H new ATOM 631 N ALA A 61 66.364 33.725 -15.769 1.00 0.00 N ATOM 632 CA ALA A 61 67.616 32.979 -15.632 1.00 0.00 C ATOM 633 C ALA A 61 67.819 32.387 -14.225 1.00 0.00 C ATOM 634 O ALA A 61 67.301 32.910 -13.234 1.00 0.00 O ATOM 635 CB ALA A 61 68.776 33.911 -15.993 1.00 0.00 C ATOM 0 H ALA A 61 66.108 34.225 -14.917 1.00 0.00 H new ATOM 0 HA ALA A 61 67.576 32.127 -16.311 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.719 33.373 -15.897 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.659 34.257 -17.020 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.777 34.768 -15.319 1.00 0.00 H new ATOM 641 N ALA A 62 68.622 31.324 -14.143 1.00 0.00 N ATOM 642 CA ALA A 62 69.098 30.718 -12.900 1.00 0.00 C ATOM 643 C ALA A 62 70.510 31.212 -12.520 1.00 0.00 C ATOM 644 O ALA A 62 71.310 31.599 -13.376 1.00 0.00 O ATOM 645 CB ALA A 62 69.032 29.190 -13.033 1.00 0.00 C ATOM 0 H ALA A 62 68.971 30.844 -14.973 1.00 0.00 H new ATOM 0 HA ALA A 62 68.449 31.028 -12.081 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.385 28.729 -12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.002 28.885 -13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.662 28.869 -13.863 1.00 0.00 H new ATOM 651 N LEU A 63 70.816 31.174 -11.219 1.00 0.00 N ATOM 652 CA LEU A 63 72.105 31.563 -10.631 1.00 0.00 C ATOM 653 C LEU A 63 72.628 30.480 -9.672 1.00 0.00 C ATOM 654 O LEU A 63 71.851 29.710 -9.101 1.00 0.00 O ATOM 655 CB LEU A 63 71.956 32.896 -9.868 1.00 0.00 C ATOM 656 CG LEU A 63 71.541 34.119 -10.707 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.377 35.330 -9.790 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.584 34.475 -11.763 1.00 0.00 C ATOM 0 H LEU A 63 70.146 30.859 -10.517 1.00 0.00 H new ATOM 0 HA LEU A 63 72.822 31.682 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.219 32.757 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.906 33.120 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 63 70.607 33.863 -11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.083 36.197 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.609 35.121 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.322 35.537 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.247 35.343 -12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.531 34.705 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.720 33.631 -12.439 1.00 0.00 H new ATOM 670 N HIS A 64 73.942 30.468 -9.440 1.00 0.00 N ATOM 671 CA HIS A 64 74.564 29.726 -8.341 1.00 0.00 C ATOM 672 C HIS A 64 74.374 30.491 -7.023 1.00 0.00 C ATOM 673 O HIS A 64 74.473 31.718 -7.002 1.00 0.00 O ATOM 674 CB HIS A 64 76.049 29.509 -8.658 1.00 0.00 C ATOM 675 CG HIS A 64 76.311 28.467 -9.715 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.207 27.085 -9.532 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.743 28.718 -10.985 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.586 26.535 -10.698 1.00 0.00 C ATOM 679 NE2 HIS A 64 76.914 27.490 -11.586 1.00 0.00 N ATOM 0 H HIS A 64 74.612 30.978 -10.016 1.00 0.00 H new ATOM 0 HA HIS A 64 74.090 28.751 -8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.481 30.456 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.565 29.219 -7.743 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.916 29.687 -11.430 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.622 25.474 -10.895 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.235 27.332 -12.541 1.00 0.00 H new ATOM 687 N ALA A 65 74.115 29.780 -5.922 1.00 0.00 N ATOM 688 CA ALA A 65 73.794 30.385 -4.620 1.00 0.00 C ATOM 689 C ALA A 65 74.961 30.375 -3.606 1.00 0.00 C ATOM 690 O ALA A 65 74.921 31.107 -2.616 1.00 0.00 O ATOM 691 CB ALA A 65 72.560 29.662 -4.065 1.00 0.00 C ATOM 0 H ALA A 65 74.121 28.760 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 65 73.593 31.445 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.294 30.087 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.726 29.783 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.782 28.601 -3.947 1.00 0.00 H new ATOM 697 N GLU A 66 75.993 29.555 -3.837 1.00 0.00 N ATOM 698 CA GLU A 66 77.113 29.313 -2.908 1.00 0.00 C ATOM 699 C GLU A 66 78.470 29.219 -3.636 1.00 0.00 C ATOM 700 O GLU A 66 78.532 29.018 -4.853 1.00 0.00 O ATOM 701 CB GLU A 66 76.859 28.019 -2.106 1.00 0.00 C ATOM 702 CG GLU A 66 75.635 28.098 -1.182 1.00 0.00 C ATOM 703 CD GLU A 66 75.521 26.831 -0.312 1.00 0.00 C ATOM 704 OE1 GLU A 66 74.868 25.847 -0.740 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.077 26.808 0.813 1.00 0.00 O ATOM 0 H GLU A 66 76.078 29.022 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 66 77.164 30.167 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.726 27.191 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.742 27.793 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.713 28.977 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.731 28.217 -1.779 1.00 0.00 H new ATOM 712 N GLY A 67 79.569 29.353 -2.882 1.00 0.00 N ATOM 713 CA GLY A 67 80.940 29.270 -3.406 1.00 0.00 C ATOM 714 C GLY A 67 81.364 30.482 -4.258 1.00 0.00 C ATOM 715 O GLY A 67 80.718 31.535 -4.206 1.00 0.00 O ATOM 0 H GLY A 67 79.531 29.524 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.631 29.168 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.033 28.366 -4.008 1.00 0.00 H new ATOM 719 N PRO A 68 82.438 30.361 -5.066 1.00 0.00 N ATOM 720 CA PRO A 68 82.986 31.475 -5.850 1.00 0.00 C ATOM 721 C PRO A 68 82.061 31.953 -6.986 1.00 0.00 C ATOM 722 O PRO A 68 82.228 33.067 -7.484 1.00 0.00 O ATOM 723 CB PRO A 68 84.330 30.962 -6.383 1.00 0.00 C ATOM 724 CG PRO A 68 84.129 29.450 -6.467 1.00 0.00 C ATOM 725 CD PRO A 68 83.246 29.162 -5.256 1.00 0.00 C ATOM 0 HA PRO A 68 83.096 32.362 -5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.565 31.390 -7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.151 31.221 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.646 29.157 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.076 28.912 -6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.617 28.289 -5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 68 83.849 28.951 -4.373 1.00 0.00 H new ATOM 733 N LEU A 69 81.068 31.140 -7.377 1.00 0.00 N ATOM 734 CA LEU A 69 80.040 31.490 -8.366 1.00 0.00 C ATOM 735 C LEU A 69 78.763 32.093 -7.750 1.00 0.00 C ATOM 736 O LEU A 69 77.813 32.339 -8.485 1.00 0.00 O ATOM 737 CB LEU A 69 79.734 30.269 -9.260 1.00 0.00 C ATOM 738 CG LEU A 69 80.863 29.887 -10.237 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.548 28.528 -10.855 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.041 30.904 -11.365 1.00 0.00 C ATOM 0 H LEU A 69 80.956 30.197 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 69 80.450 32.288 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.520 29.412 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.830 30.473 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 69 81.790 29.862 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.342 28.250 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.475 27.778 -10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.601 28.583 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.850 30.582 -12.021 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.117 30.978 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.284 31.879 -10.941 1.00 0.00 H new ATOM 752 N ALA A 70 78.683 32.353 -6.441 1.00 0.00 N ATOM 753 CA ALA A 70 77.464 32.893 -5.829 1.00 0.00 C ATOM 754 C ALA A 70 77.039 34.237 -6.468 1.00 0.00 C ATOM 755 O ALA A 70 77.747 35.244 -6.373 1.00 0.00 O ATOM 756 CB ALA A 70 77.669 33.014 -4.315 1.00 0.00 C ATOM 0 H ALA A 70 79.448 32.198 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 70 76.642 32.203 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.765 33.415 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.882 32.030 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.506 33.683 -4.113 1.00 0.00 H new ATOM 762 N GLY A 71 75.875 34.236 -7.128 1.00 0.00 N ATOM 763 CA GLY A 71 75.335 35.353 -7.917 1.00 0.00 C ATOM 764 C GLY A 71 75.691 35.342 -9.418 1.00 0.00 C ATOM 765 O GLY A 71 75.322 36.276 -10.131 1.00 0.00 O ATOM 0 H GLY A 71 75.257 33.424 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.249 35.352 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.693 36.287 -7.484 1.00 0.00 H new ATOM 769 N LEU A 72 76.387 34.308 -9.911 1.00 0.00 N ATOM 770 CA LEU A 72 76.798 34.108 -11.309 1.00 0.00 C ATOM 771 C LEU A 72 75.927 33.023 -12.003 1.00 0.00 C ATOM 772 O LEU A 72 75.325 32.193 -11.317 1.00 0.00 O ATOM 773 CB LEU A 72 78.327 33.838 -11.354 1.00 0.00 C ATOM 774 CG LEU A 72 79.173 35.079 -10.981 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.473 35.234 -9.489 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.529 35.049 -11.691 1.00 0.00 C ATOM 0 H LEU A 72 76.696 33.544 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 72 76.620 35.011 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.566 33.023 -10.670 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.602 33.505 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 72 78.551 35.917 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.070 36.132 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.537 35.318 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.026 34.363 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.105 35.932 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 72 81.074 34.152 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.375 35.042 -12.770 1.00 0.00 H new ATOM 788 N PRO A 73 75.796 33.046 -13.348 1.00 0.00 N ATOM 789 CA PRO A 73 74.853 32.215 -14.112 1.00 0.00 C ATOM 790 C PRO A 73 75.201 30.723 -14.093 1.00 0.00 C ATOM 791 O PRO A 73 76.343 30.356 -13.834 1.00 0.00 O ATOM 792 CB PRO A 73 74.906 32.768 -15.542 1.00 0.00 C ATOM 793 CG PRO A 73 76.321 33.318 -15.652 1.00 0.00 C ATOM 794 CD PRO A 73 76.544 33.894 -14.264 1.00 0.00 C ATOM 0 HA PRO A 73 73.858 32.268 -13.671 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.718 31.990 -16.282 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.159 33.545 -15.701 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.044 32.539 -15.891 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.404 34.079 -16.428 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.604 33.900 -14.011 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.197 34.926 -14.210 1.00 0.00 H new ATOM 802 N VAL A 74 74.249 29.850 -14.431 1.00 0.00 N ATOM 803 CA VAL A 74 74.474 28.391 -14.485 1.00 0.00 C ATOM 804 C VAL A 74 74.655 27.871 -15.921 1.00 0.00 C ATOM 805 O VAL A 74 75.457 26.960 -16.129 1.00 0.00 O ATOM 806 CB VAL A 74 73.362 27.629 -13.738 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.706 26.144 -13.556 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.091 28.203 -12.338 1.00 0.00 C ATOM 0 H VAL A 74 73.299 30.128 -14.676 1.00 0.00 H new ATOM 0 HA VAL A 74 75.416 28.198 -13.971 1.00 0.00 H new ATOM 0 HB VAL A 74 72.477 27.743 -14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.895 25.645 -13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.840 25.679 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.627 26.052 -12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.299 27.629 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 73.999 28.143 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.782 29.245 -12.425 1.00 0.00 H new ATOM 818 N THR A 75 73.978 28.458 -16.918 1.00 0.00 N ATOM 819 CA THR A 75 74.031 28.046 -18.342 1.00 0.00 C ATOM 820 C THR A 75 74.440 29.167 -19.305 1.00 0.00 C ATOM 821 O THR A 75 74.555 30.329 -18.918 1.00 0.00 O ATOM 822 CB THR A 75 72.695 27.440 -18.800 1.00 0.00 C ATOM 823 OG1 THR A 75 71.719 28.456 -18.898 1.00 0.00 O ATOM 824 CG2 THR A 75 72.225 26.338 -17.857 1.00 0.00 C ATOM 0 H THR A 75 73.360 29.254 -16.760 1.00 0.00 H new ATOM 0 HA THR A 75 74.816 27.291 -18.384 1.00 0.00 H new ATOM 0 HB THR A 75 72.845 26.988 -19.780 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.869 28.066 -19.192 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.278 25.934 -18.213 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.970 25.543 -17.826 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.091 26.748 -16.856 1.00 0.00 H new ATOM 832 N ARG A 76 74.631 28.832 -20.593 1.00 0.00 N ATOM 833 CA ARG A 76 74.882 29.808 -21.676 1.00 0.00 C ATOM 834 C ARG A 76 73.701 30.772 -21.828 1.00 0.00 C ATOM 835 O ARG A 76 73.899 31.981 -21.927 1.00 0.00 O ATOM 836 CB ARG A 76 75.164 29.025 -22.976 1.00 0.00 C ATOM 837 CG ARG A 76 75.496 29.923 -24.178 1.00 0.00 C ATOM 838 CD ARG A 76 75.673 29.070 -25.441 1.00 0.00 C ATOM 839 NE ARG A 76 75.892 29.915 -26.631 1.00 0.00 N ATOM 840 CZ ARG A 76 77.047 30.243 -27.183 1.00 0.00 C ATOM 841 NH1 ARG A 76 78.199 29.874 -26.711 1.00 0.00 N ATOM 842 NH2 ARG A 76 77.104 30.971 -28.254 1.00 0.00 N ATOM 0 H ARG A 76 74.616 27.865 -20.918 1.00 0.00 H new ATOM 0 HA ARG A 76 75.749 30.423 -21.436 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.995 28.341 -22.805 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.294 28.415 -23.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.698 30.650 -24.330 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.408 30.487 -23.980 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.519 28.395 -25.311 1.00 0.00 H new ATOM 0 HD3 ARG A 76 74.789 28.449 -25.590 1.00 0.00 H new ATOM 0 HE ARG A 76 75.055 30.289 -27.079 1.00 0.00 H new ATOM 0 HH11 ARG A 76 78.245 29.299 -25.870 1.00 0.00 H new ATOM 0 HH12 ARG A 76 79.058 30.159 -27.182 1.00 0.00 H new ATOM 0 HH21 ARG A 76 76.244 31.305 -28.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 78.008 31.210 -28.660 1.00 0.00 H new ATOM 856 N SER A 77 72.481 30.238 -21.754 1.00 0.00 N ATOM 857 CA SER A 77 71.241 31.026 -21.737 1.00 0.00 C ATOM 858 C SER A 77 71.200 31.954 -20.523 1.00 0.00 C ATOM 859 O SER A 77 70.943 33.145 -20.684 1.00 0.00 O ATOM 860 CB SER A 77 70.014 30.106 -21.740 1.00 0.00 C ATOM 861 OG SER A 77 70.060 29.230 -22.859 1.00 0.00 O ATOM 0 H SER A 77 72.321 29.232 -21.703 1.00 0.00 H new ATOM 0 HA SER A 77 71.221 31.637 -22.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.982 29.527 -20.817 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.103 30.703 -21.774 1.00 0.00 H new ATOM 0 HG SER A 77 69.273 28.646 -22.850 1.00 0.00 H new ATOM 867 N ASP A 78 71.552 31.463 -19.327 1.00 0.00 N ATOM 868 CA ASP A 78 71.628 32.319 -18.137 1.00 0.00 C ATOM 869 C ASP A 78 72.666 33.432 -18.318 1.00 0.00 C ATOM 870 O ASP A 78 72.361 34.596 -18.074 1.00 0.00 O ATOM 871 CB ASP A 78 71.973 31.511 -16.883 1.00 0.00 C ATOM 872 CG ASP A 78 70.948 30.445 -16.479 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.726 30.633 -16.692 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.398 29.443 -15.877 1.00 0.00 O ATOM 0 H ASP A 78 71.787 30.485 -19.159 1.00 0.00 H new ATOM 0 HA ASP A 78 70.642 32.765 -18.010 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.935 31.023 -17.040 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.099 32.203 -16.050 1.00 0.00 H new ATOM 879 N ALA A 79 73.875 33.112 -18.798 1.00 0.00 N ATOM 880 CA ALA A 79 74.941 34.088 -19.024 1.00 0.00 C ATOM 881 C ALA A 79 74.536 35.190 -20.016 1.00 0.00 C ATOM 882 O ALA A 79 74.779 36.368 -19.746 1.00 0.00 O ATOM 883 CB ALA A 79 76.209 33.331 -19.454 1.00 0.00 C ATOM 0 H ALA A 79 74.140 32.158 -19.042 1.00 0.00 H new ATOM 0 HA ALA A 79 75.143 34.621 -18.095 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.016 34.043 -19.628 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.501 32.635 -18.668 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.009 32.778 -20.372 1.00 0.00 H new ATOM 889 N ARG A 80 73.839 34.847 -21.109 1.00 0.00 N ATOM 890 CA ARG A 80 73.301 35.834 -22.061 1.00 0.00 C ATOM 891 C ARG A 80 72.223 36.713 -21.421 1.00 0.00 C ATOM 892 O ARG A 80 72.278 37.930 -21.575 1.00 0.00 O ATOM 893 CB ARG A 80 72.829 35.101 -23.336 1.00 0.00 C ATOM 894 CG ARG A 80 72.514 36.032 -24.523 1.00 0.00 C ATOM 895 CD ARG A 80 71.090 36.606 -24.523 1.00 0.00 C ATOM 896 NE ARG A 80 70.868 37.495 -25.681 1.00 0.00 N ATOM 897 CZ ARG A 80 69.725 38.037 -26.066 1.00 0.00 C ATOM 898 NH1 ARG A 80 68.606 37.828 -25.437 1.00 0.00 N ATOM 899 NH2 ARG A 80 69.659 38.811 -27.108 1.00 0.00 N ATOM 0 H ARG A 80 73.632 33.880 -21.359 1.00 0.00 H new ATOM 0 HA ARG A 80 74.087 36.530 -22.352 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.599 34.392 -23.640 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.938 34.520 -23.098 1.00 0.00 H new ATOM 0 HG2 ARG A 80 73.225 36.858 -24.519 1.00 0.00 H new ATOM 0 HG3 ARG A 80 72.670 35.482 -25.451 1.00 0.00 H new ATOM 0 HD2 ARG A 80 70.367 35.790 -24.545 1.00 0.00 H new ATOM 0 HD3 ARG A 80 70.919 37.159 -23.600 1.00 0.00 H new ATOM 0 HE ARG A 80 71.688 37.716 -26.247 1.00 0.00 H new ATOM 0 HH11 ARG A 80 68.589 37.226 -24.613 1.00 0.00 H new ATOM 0 HH12 ARG A 80 67.746 38.266 -25.767 1.00 0.00 H new ATOM 0 HH21 ARG A 80 70.501 39.012 -27.648 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.766 39.218 -27.386 1.00 0.00 H new ATOM 913 N VAL A 81 71.278 36.131 -20.679 1.00 0.00 N ATOM 914 CA VAL A 81 70.216 36.887 -19.975 1.00 0.00 C ATOM 915 C VAL A 81 70.804 37.831 -18.932 1.00 0.00 C ATOM 916 O VAL A 81 70.424 38.997 -18.892 1.00 0.00 O ATOM 917 CB VAL A 81 69.202 35.944 -19.306 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.184 36.676 -18.419 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.395 35.201 -20.367 1.00 0.00 C ATOM 0 H VAL A 81 71.219 35.122 -20.543 1.00 0.00 H new ATOM 0 HA VAL A 81 69.697 37.478 -20.730 1.00 0.00 H new ATOM 0 HB VAL A 81 69.796 35.271 -18.689 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.499 35.952 -17.978 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.709 37.209 -17.626 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.621 37.388 -19.023 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.680 34.536 -19.881 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.859 35.920 -20.986 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.069 34.615 -20.992 1.00 0.00 H new ATOM 929 N LEU A 82 71.749 37.362 -18.116 1.00 0.00 N ATOM 930 CA LEU A 82 72.414 38.195 -17.113 1.00 0.00 C ATOM 931 C LEU A 82 73.228 39.333 -17.745 1.00 0.00 C ATOM 932 O LEU A 82 73.069 40.470 -17.308 1.00 0.00 O ATOM 933 CB LEU A 82 73.277 37.332 -16.166 1.00 0.00 C ATOM 934 CG LEU A 82 72.570 36.775 -14.915 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.954 37.884 -14.061 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.476 35.753 -15.209 1.00 0.00 C ATOM 0 H LEU A 82 72.075 36.395 -18.132 1.00 0.00 H new ATOM 0 HA LEU A 82 71.634 38.670 -16.518 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.675 36.493 -16.736 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.129 37.929 -15.840 1.00 0.00 H new ATOM 0 HG LEU A 82 73.371 36.270 -14.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.467 37.445 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 82 72.737 38.567 -13.732 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.219 38.431 -14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.033 35.415 -14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 82 70.706 36.212 -15.830 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.906 34.901 -15.735 1.00 0.00 H new ATOM 948 N ILE A 83 74.017 39.079 -18.803 1.00 0.00 N ATOM 949 CA ILE A 83 74.677 40.157 -19.571 1.00 0.00 C ATOM 950 C ILE A 83 73.634 41.178 -20.034 1.00 0.00 C ATOM 951 O ILE A 83 73.783 42.371 -19.774 1.00 0.00 O ATOM 952 CB ILE A 83 75.473 39.592 -20.775 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.773 38.942 -20.246 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.801 40.677 -21.829 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.487 38.050 -21.268 1.00 0.00 C ATOM 0 H ILE A 83 74.215 38.140 -19.148 1.00 0.00 H new ATOM 0 HA ILE A 83 75.393 40.655 -18.918 1.00 0.00 H new ATOM 0 HB ILE A 83 74.853 38.850 -21.278 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.456 39.729 -19.927 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.536 38.348 -19.363 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.359 40.229 -22.651 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.874 41.105 -22.211 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.401 41.462 -21.369 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.389 37.633 -20.820 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.823 37.240 -21.570 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.757 38.643 -22.142 1.00 0.00 H new ATOM 967 N PHE A 84 72.565 40.701 -20.681 1.00 0.00 N ATOM 968 CA PHE A 84 71.529 41.556 -21.243 1.00 0.00 C ATOM 969 C PHE A 84 70.836 42.405 -20.173 1.00 0.00 C ATOM 970 O PHE A 84 70.797 43.621 -20.314 1.00 0.00 O ATOM 971 CB PHE A 84 70.515 40.710 -22.028 1.00 0.00 C ATOM 972 CG PHE A 84 69.573 41.511 -22.911 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.087 42.468 -23.809 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.183 41.280 -22.873 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.235 43.158 -24.682 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.325 41.986 -23.737 1.00 0.00 C ATOM 977 CZ PHE A 84 67.851 42.920 -24.648 1.00 0.00 C ATOM 0 H PHE A 84 72.399 39.705 -20.827 1.00 0.00 H new ATOM 0 HA PHE A 84 72.009 42.254 -21.929 1.00 0.00 H new ATOM 0 HB2 PHE A 84 71.059 39.999 -22.650 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.923 40.128 -21.322 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.148 42.672 -23.825 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.775 40.560 -22.179 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.643 43.873 -25.381 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.260 41.810 -23.700 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.193 43.452 -25.319 1.00 0.00 H new ATOM 987 N ASN A 85 70.334 41.807 -19.091 1.00 0.00 N ATOM 988 CA ASN A 85 69.508 42.524 -18.123 1.00 0.00 C ATOM 989 C ASN A 85 70.314 43.401 -17.149 1.00 0.00 C ATOM 990 O ASN A 85 69.871 44.503 -16.807 1.00 0.00 O ATOM 991 CB ASN A 85 68.591 41.531 -17.405 1.00 0.00 C ATOM 992 CG ASN A 85 67.474 42.255 -16.671 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.355 42.189 -15.456 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.622 42.968 -17.375 1.00 0.00 N ATOM 0 H ASN A 85 70.487 40.824 -18.864 1.00 0.00 H new ATOM 0 HA ASN A 85 68.894 43.237 -18.673 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.165 40.835 -18.128 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.172 40.939 -16.698 1.00 0.00 H new ATOM 0 HD21 ASN A 85 65.864 43.465 -16.907 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.720 43.024 -18.389 1.00 0.00 H new ATOM 1001 N GLU A 86 71.520 42.970 -16.752 1.00 0.00 N ATOM 1002 CA GLU A 86 72.433 43.843 -16.007 1.00 0.00 C ATOM 1003 C GLU A 86 72.835 45.042 -16.871 1.00 0.00 C ATOM 1004 O GLU A 86 72.758 46.176 -16.392 1.00 0.00 O ATOM 1005 CB GLU A 86 73.679 43.091 -15.510 1.00 0.00 C ATOM 1006 CG GLU A 86 73.376 42.038 -14.434 1.00 0.00 C ATOM 1007 CD GLU A 86 72.912 42.694 -13.117 1.00 0.00 C ATOM 1008 OE1 GLU A 86 73.773 43.167 -12.336 1.00 0.00 O ATOM 1009 OE2 GLU A 86 71.687 42.736 -12.849 1.00 0.00 O ATOM 0 H GLU A 86 71.881 42.033 -16.932 1.00 0.00 H new ATOM 0 HA GLU A 86 71.902 44.198 -15.124 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.160 42.603 -16.358 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.392 43.812 -15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.604 41.359 -14.795 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.267 41.438 -14.249 1.00 0.00 H new ATOM 1016 N TRP A 87 73.168 44.833 -18.156 1.00 0.00 N ATOM 1017 CA TRP A 87 73.361 45.951 -19.071 1.00 0.00 C ATOM 1018 C TRP A 87 72.101 46.807 -19.193 1.00 0.00 C ATOM 1019 O TRP A 87 72.231 48.003 -19.018 1.00 0.00 O ATOM 1020 CB TRP A 87 73.827 45.475 -20.441 1.00 0.00 C ATOM 1021 CG TRP A 87 73.837 46.525 -21.507 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.784 47.468 -21.724 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.866 46.682 -22.580 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.472 48.181 -22.867 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.310 47.721 -23.449 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.707 45.975 -22.958 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.679 47.996 -24.669 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.060 46.263 -24.166 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.535 47.265 -25.027 1.00 0.00 C ATOM 0 H TRP A 87 73.306 43.912 -18.572 1.00 0.00 H new ATOM 0 HA TRP A 87 74.146 46.577 -18.647 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.833 45.068 -20.344 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.182 44.658 -20.763 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.650 47.637 -21.101 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.032 48.951 -23.234 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.315 45.205 -22.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.067 48.760 -25.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.178 45.703 -24.441 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.025 47.472 -25.956 1.00 0.00 H new ATOM 1040 N GLU A 88 70.901 46.264 -19.416 1.00 0.00 N ATOM 1041 CA GLU A 88 69.660 47.044 -19.528 1.00 0.00 C ATOM 1042 C GLU A 88 69.456 48.007 -18.341 1.00 0.00 C ATOM 1043 O GLU A 88 69.186 49.190 -18.558 1.00 0.00 O ATOM 1044 CB GLU A 88 68.435 46.119 -19.606 1.00 0.00 C ATOM 1045 CG GLU A 88 68.128 45.506 -20.976 1.00 0.00 C ATOM 1046 CD GLU A 88 66.864 44.622 -20.889 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.854 43.613 -20.137 1.00 0.00 O ATOM 1048 OE2 GLU A 88 65.845 44.962 -21.543 1.00 0.00 O ATOM 0 H GLU A 88 70.760 45.260 -19.525 1.00 0.00 H new ATOM 0 HA GLU A 88 69.758 47.628 -20.443 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.575 45.307 -18.892 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.561 46.683 -19.281 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.979 46.296 -21.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.976 44.910 -21.315 1.00 0.00 H new ATOM 1055 N GLU A 89 69.615 47.543 -17.096 1.00 0.00 N ATOM 1056 CA GLU A 89 69.464 48.411 -15.915 1.00 0.00 C ATOM 1057 C GLU A 89 70.583 49.467 -15.814 1.00 0.00 C ATOM 1058 O GLU A 89 70.321 50.673 -15.685 1.00 0.00 O ATOM 1059 CB GLU A 89 69.419 47.560 -14.635 1.00 0.00 C ATOM 1060 CG GLU A 89 68.161 46.689 -14.521 1.00 0.00 C ATOM 1061 CD GLU A 89 66.886 47.540 -14.361 1.00 0.00 C ATOM 1062 OE1 GLU A 89 66.638 48.063 -13.246 1.00 0.00 O ATOM 1063 OE2 GLU A 89 66.117 47.692 -15.343 1.00 0.00 O ATOM 0 H GLU A 89 69.848 46.574 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 89 68.523 48.950 -16.028 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.299 46.918 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.475 48.219 -13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 89 68.071 46.063 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.260 46.019 -13.667 1.00 0.00 H new ATOM 1070 N ARG A 90 71.847 49.033 -15.923 1.00 0.00 N ATOM 1071 CA ARG A 90 73.004 49.945 -15.869 1.00 0.00 C ATOM 1072 C ARG A 90 72.915 50.986 -16.980 1.00 0.00 C ATOM 1073 O ARG A 90 73.042 52.166 -16.713 1.00 0.00 O ATOM 1074 CB ARG A 90 74.315 49.161 -15.981 1.00 0.00 C ATOM 1075 CG ARG A 90 74.557 48.207 -14.811 1.00 0.00 C ATOM 1076 CD ARG A 90 74.962 48.919 -13.513 1.00 0.00 C ATOM 1077 NE ARG A 90 75.223 47.946 -12.433 1.00 0.00 N ATOM 1078 CZ ARG A 90 74.346 47.385 -11.615 1.00 0.00 C ATOM 1079 NH1 ARG A 90 73.070 47.660 -11.658 1.00 0.00 N ATOM 1080 NH2 ARG A 90 74.744 46.526 -10.723 1.00 0.00 N ATOM 0 H ARG A 90 72.097 48.052 -16.050 1.00 0.00 H new ATOM 0 HA ARG A 90 72.989 50.459 -14.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.310 48.590 -16.910 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.145 49.864 -16.044 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.651 47.629 -14.631 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.338 47.498 -15.086 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.854 49.521 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.170 49.603 -13.207 1.00 0.00 H new ATOM 0 HE ARG A 90 76.197 47.673 -12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 90 72.715 48.330 -12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 90 72.428 47.205 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 90 75.732 46.284 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 90 74.068 46.094 -10.093 1.00 0.00 H new ATOM 1094 N LYS A 91 72.589 50.563 -18.197 1.00 0.00 N ATOM 1095 CA LYS A 91 72.341 51.395 -19.394 1.00 0.00 C ATOM 1096 C LYS A 91 71.165 52.360 -19.221 1.00 0.00 C ATOM 1097 O LYS A 91 71.254 53.494 -19.689 1.00 0.00 O ATOM 1098 CB LYS A 91 72.083 50.468 -20.604 1.00 0.00 C ATOM 1099 CG LYS A 91 71.776 51.092 -21.979 1.00 0.00 C ATOM 1100 CD LYS A 91 73.017 51.623 -22.704 1.00 0.00 C ATOM 1101 CE LYS A 91 72.710 51.859 -24.190 1.00 0.00 C ATOM 1102 NZ LYS A 91 73.928 52.273 -24.947 1.00 0.00 N ATOM 0 H LYS A 91 72.481 49.569 -18.398 1.00 0.00 H new ATOM 0 HA LYS A 91 73.227 52.009 -19.555 1.00 0.00 H new ATOM 0 HB2 LYS A 91 72.960 49.831 -20.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.248 49.817 -20.346 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.291 50.345 -22.607 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.066 51.908 -21.848 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.345 52.554 -22.242 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.836 50.911 -22.604 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.303 50.947 -24.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 71.943 52.628 -24.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 73.763 52.146 -25.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 74.135 53.273 -24.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 74.736 51.689 -24.651 1.00 0.00 H new ATOM 1116 N LYS A 92 70.090 51.973 -18.518 1.00 0.00 N ATOM 1117 CA LYS A 92 69.017 52.901 -18.123 1.00 0.00 C ATOM 1118 C LYS A 92 69.556 54.017 -17.213 1.00 0.00 C ATOM 1119 O LYS A 92 69.148 55.170 -17.368 1.00 0.00 O ATOM 1120 CB LYS A 92 67.857 52.113 -17.487 1.00 0.00 C ATOM 1121 CG LYS A 92 66.610 52.983 -17.289 1.00 0.00 C ATOM 1122 CD LYS A 92 65.436 52.152 -16.752 1.00 0.00 C ATOM 1123 CE LYS A 92 64.198 53.041 -16.578 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.029 52.267 -16.071 1.00 0.00 N ATOM 0 H LYS A 92 69.939 51.013 -18.208 1.00 0.00 H new ATOM 0 HA LYS A 92 68.625 53.401 -19.009 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.608 51.261 -18.120 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.176 51.712 -16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.834 53.793 -16.595 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.330 53.444 -18.236 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.214 51.336 -17.439 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.706 51.700 -15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.426 53.851 -15.885 1.00 0.00 H new ATOM 0 HE3 LYS A 92 63.943 53.501 -17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.212 52.901 -15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 62.795 51.510 -16.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.263 51.849 -15.148 1.00 0.00 H new ATOM 1138 N SER A 93 70.530 53.712 -16.346 1.00 0.00 N ATOM 1139 CA SER A 93 71.311 54.745 -15.627 1.00 0.00 C ATOM 1140 C SER A 93 72.461 55.399 -16.440 1.00 0.00 C ATOM 1141 O SER A 93 72.914 56.488 -16.084 1.00 0.00 O ATOM 1142 CB SER A 93 71.871 54.177 -14.315 1.00 0.00 C ATOM 1143 OG SER A 93 70.811 53.761 -13.460 1.00 0.00 O ATOM 0 H SER A 93 70.802 52.755 -16.120 1.00 0.00 H new ATOM 0 HA SER A 93 70.596 55.545 -15.436 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.527 53.333 -14.528 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.476 54.932 -13.813 1.00 0.00 H new ATOM 0 HG SER A 93 71.184 53.400 -12.629 1.00 0.00 H new ATOM 1149 N GLU A 94 72.938 54.765 -17.516 1.00 0.00 N ATOM 1150 CA GLU A 94 74.188 55.065 -18.243 1.00 0.00 C ATOM 1151 C GLU A 94 74.021 54.895 -19.771 1.00 0.00 C ATOM 1152 O GLU A 94 74.454 53.880 -20.329 1.00 0.00 O ATOM 1153 CB GLU A 94 75.330 54.135 -17.767 1.00 0.00 C ATOM 1154 CG GLU A 94 75.615 54.199 -16.269 1.00 0.00 C ATOM 1155 CD GLU A 94 76.915 53.445 -15.920 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.020 54.021 -16.079 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.846 52.280 -15.457 1.00 0.00 O ATOM 0 H GLU A 94 72.436 53.981 -17.932 1.00 0.00 H new ATOM 0 HA GLU A 94 74.434 56.105 -18.029 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.080 53.108 -18.033 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.240 54.392 -18.309 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.699 55.240 -15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.780 53.766 -15.718 1.00 0.00 H new ATOM 1164 N PRO A 95 73.417 55.853 -20.500 1.00 0.00 N ATOM 1165 CA PRO A 95 73.101 55.697 -21.929 1.00 0.00 C ATOM 1166 C PRO A 95 74.318 55.423 -22.840 1.00 0.00 C ATOM 1167 O PRO A 95 74.156 54.923 -23.954 1.00 0.00 O ATOM 1168 CB PRO A 95 72.347 56.975 -22.321 1.00 0.00 C ATOM 1169 CG PRO A 95 72.730 57.990 -21.243 1.00 0.00 C ATOM 1170 CD PRO A 95 72.900 57.117 -20.003 1.00 0.00 C ATOM 0 HA PRO A 95 72.499 54.801 -22.077 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.639 57.320 -23.313 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.270 56.809 -22.345 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.649 58.520 -21.494 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.955 58.744 -21.104 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.589 57.572 -19.291 1.00 0.00 H new ATOM 0 HD3 PRO A 95 71.951 56.979 -19.485 1.00 0.00 H new ATOM 1178 N TRP A 96 75.541 55.663 -22.360 1.00 0.00 N ATOM 1179 CA TRP A 96 76.809 55.364 -23.041 1.00 0.00 C ATOM 1180 C TRP A 96 77.260 53.886 -22.979 1.00 0.00 C ATOM 1181 O TRP A 96 78.211 53.526 -23.676 1.00 0.00 O ATOM 1182 CB TRP A 96 77.883 56.295 -22.455 1.00 0.00 C ATOM 1183 CG TRP A 96 78.009 56.270 -20.959 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.750 55.397 -20.238 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.353 57.136 -19.979 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.597 55.659 -18.890 1.00 0.00 N ATOM 1187 CE2 TRP A 96 77.740 56.717 -18.671 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.457 58.226 -20.064 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.255 57.333 -17.508 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 75.968 58.856 -18.901 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.358 58.408 -17.626 1.00 0.00 C ATOM 0 H TRP A 96 75.684 56.090 -21.445 1.00 0.00 H new ATOM 0 HA TRP A 96 76.655 55.541 -24.106 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.847 56.028 -22.889 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.665 57.316 -22.767 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.367 54.614 -20.653 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.061 55.134 -18.148 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.142 58.582 -21.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.567 56.985 -16.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.288 59.690 -18.990 1.00 0.00 H new ATOM 0 HH2 TRP A 96 75.969 58.889 -16.741 1.00 0.00 H new ATOM 1202 N LEU A 97 76.627 53.015 -22.174 1.00 0.00 N ATOM 1203 CA LEU A 97 77.134 51.667 -21.889 1.00 0.00 C ATOM 1204 C LEU A 97 77.118 50.724 -23.109 1.00 0.00 C ATOM 1205 O LEU A 97 76.103 50.603 -23.804 1.00 0.00 O ATOM 1206 CB LEU A 97 76.332 51.077 -20.712 1.00 0.00 C ATOM 1207 CG LEU A 97 77.025 49.920 -19.991 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.322 50.323 -19.286 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.077 49.360 -18.934 1.00 0.00 C ATOM 0 H LEU A 97 75.748 53.229 -21.703 1.00 0.00 H new ATOM 0 HA LEU A 97 78.187 51.758 -21.622 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.132 51.870 -19.991 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.367 50.732 -21.083 1.00 0.00 H new ATOM 0 HG LEU A 97 77.279 49.187 -20.756 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.756 49.451 -18.797 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.027 50.717 -20.018 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.108 51.088 -18.540 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.560 48.534 -18.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.826 50.143 -18.219 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.166 49.003 -19.415 1.00 0.00 H new ATOM 1221 N ARG A 98 78.224 50.001 -23.318 1.00 0.00 N ATOM 1222 CA ARG A 98 78.425 49.010 -24.392 1.00 0.00 C ATOM 1223 C ARG A 98 77.917 47.610 -24.004 1.00 0.00 C ATOM 1224 O ARG A 98 77.889 47.254 -22.827 1.00 0.00 O ATOM 1225 CB ARG A 98 79.924 49.027 -24.752 1.00 0.00 C ATOM 1226 CG ARG A 98 80.304 48.152 -25.955 1.00 0.00 C ATOM 1227 CD ARG A 98 81.781 48.332 -26.324 1.00 0.00 C ATOM 1228 NE ARG A 98 82.162 47.451 -27.446 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.353 47.366 -28.015 1.00 0.00 C ATOM 1230 NH1 ARG A 98 84.360 48.100 -27.628 1.00 0.00 N ATOM 1231 NH2 ARG A 98 83.558 46.532 -28.994 1.00 0.00 N ATOM 0 H ARG A 98 79.044 50.092 -22.718 1.00 0.00 H new ATOM 0 HA ARG A 98 77.832 49.276 -25.267 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.223 50.055 -24.959 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.496 48.697 -23.885 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.109 47.105 -25.723 1.00 0.00 H new ATOM 0 HG3 ARG A 98 79.678 48.411 -26.809 1.00 0.00 H new ATOM 0 HD2 ARG A 98 81.967 49.371 -26.595 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.405 48.112 -25.457 1.00 0.00 H new ATOM 0 HE ARG A 98 81.432 46.846 -27.821 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.242 48.765 -26.864 1.00 0.00 H new ATOM 0 HH12 ARG A 98 85.265 48.008 -28.089 1.00 0.00 H new ATOM 0 HH21 ARG A 98 82.798 45.939 -29.327 1.00 0.00 H new ATOM 0 HH22 ARG A 98 84.479 46.472 -29.428 1.00 0.00 H new ATOM 1245 N LEU A 99 77.531 46.827 -25.014 1.00 0.00 N ATOM 1246 CA LEU A 99 76.955 45.481 -24.913 1.00 0.00 C ATOM 1247 C LEU A 99 77.684 44.531 -25.880 1.00 0.00 C ATOM 1248 O LEU A 99 77.863 44.862 -27.054 1.00 0.00 O ATOM 1249 CB LEU A 99 75.459 45.641 -25.241 1.00 0.00 C ATOM 1250 CG LEU A 99 74.485 44.459 -25.090 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.630 43.487 -26.265 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.549 43.768 -23.731 1.00 0.00 C ATOM 0 H LEU A 99 77.617 47.133 -25.983 1.00 0.00 H new ATOM 0 HA LEU A 99 77.070 45.041 -23.922 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.080 46.450 -24.616 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.393 45.979 -26.275 1.00 0.00 H new ATOM 0 HG LEU A 99 73.479 44.877 -25.123 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.933 42.658 -26.140 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.411 44.008 -27.197 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.649 43.102 -26.295 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.832 42.947 -23.706 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.554 43.378 -23.568 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.307 44.485 -22.947 1.00 0.00 H new ATOM 1264 N ASP A 100 78.101 43.356 -25.400 1.00 0.00 N ATOM 1265 CA ASP A 100 78.744 42.316 -26.218 1.00 0.00 C ATOM 1266 C ASP A 100 78.314 40.910 -25.761 1.00 0.00 C ATOM 1267 O ASP A 100 78.252 40.632 -24.561 1.00 0.00 O ATOM 1268 CB ASP A 100 80.272 42.482 -26.169 1.00 0.00 C ATOM 1269 CG ASP A 100 80.963 41.690 -27.293 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.932 40.438 -27.262 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.523 42.324 -28.220 1.00 0.00 O ATOM 0 H ASP A 100 78.001 43.094 -24.419 1.00 0.00 H new ATOM 0 HA ASP A 100 78.420 42.431 -27.252 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.527 43.538 -26.257 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.645 42.144 -25.202 1.00 0.00 H new ATOM 1276 N MET A 101 77.987 40.036 -26.721 1.00 0.00 N ATOM 1277 CA MET A 101 77.492 38.669 -26.488 1.00 0.00 C ATOM 1278 C MET A 101 78.254 37.607 -27.315 1.00 0.00 C ATOM 1279 O MET A 101 77.736 36.515 -27.563 1.00 0.00 O ATOM 1280 CB MET A 101 75.973 38.628 -26.738 1.00 0.00 C ATOM 1281 CG MET A 101 75.189 39.521 -25.768 1.00 0.00 C ATOM 1282 SD MET A 101 73.419 39.587 -26.133 1.00 0.00 S ATOM 1283 CE MET A 101 72.845 40.638 -24.774 1.00 0.00 C ATOM 0 H MET A 101 78.061 40.265 -27.712 1.00 0.00 H new ATOM 0 HA MET A 101 77.684 38.407 -25.447 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.769 38.943 -27.761 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.621 37.601 -26.645 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.330 39.154 -24.751 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.598 40.531 -25.802 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.995 40.165 -24.282 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.652 40.774 -24.054 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.542 41.608 -25.167 1.00 0.00 H new ATOM 1293 N SER A 102 79.481 37.918 -27.756 1.00 0.00 N ATOM 1294 CA SER A 102 80.373 36.959 -28.429 1.00 0.00 C ATOM 1295 C SER A 102 80.764 35.811 -27.488 1.00 0.00 C ATOM 1296 O SER A 102 80.836 35.993 -26.273 1.00 0.00 O ATOM 1297 CB SER A 102 81.628 37.680 -28.939 1.00 0.00 C ATOM 1298 OG SER A 102 82.453 36.788 -29.676 1.00 0.00 O ATOM 0 H SER A 102 79.887 38.848 -27.656 1.00 0.00 H new ATOM 0 HA SER A 102 79.837 36.531 -29.276 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.340 38.522 -29.569 1.00 0.00 H new ATOM 0 HB3 SER A 102 82.187 38.089 -28.097 1.00 0.00 H new ATOM 0 HG SER A 102 83.247 37.265 -29.995 1.00 0.00 H new ATOM 1304 N ASP A 103 81.068 34.629 -28.034 1.00 0.00 N ATOM 1305 CA ASP A 103 81.473 33.445 -27.259 1.00 0.00 C ATOM 1306 C ASP A 103 82.631 33.748 -26.290 1.00 0.00 C ATOM 1307 O ASP A 103 82.599 33.343 -25.127 1.00 0.00 O ATOM 1308 CB ASP A 103 81.881 32.324 -28.224 1.00 0.00 C ATOM 1309 CG ASP A 103 80.700 31.851 -29.081 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.859 31.081 -28.561 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.599 32.251 -30.266 1.00 0.00 O ATOM 0 H ASP A 103 81.040 34.463 -29.040 1.00 0.00 H new ATOM 0 HA ASP A 103 80.620 33.134 -26.655 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.682 32.677 -28.873 1.00 0.00 H new ATOM 0 HB3 ASP A 103 82.278 31.482 -27.656 1.00 0.00 H new ATOM 1316 N LYS A 104 83.598 34.563 -26.740 1.00 0.00 N ATOM 1317 CA LYS A 104 84.743 35.029 -25.941 1.00 0.00 C ATOM 1318 C LYS A 104 84.317 35.807 -24.691 1.00 0.00 C ATOM 1319 O LYS A 104 84.916 35.615 -23.636 1.00 0.00 O ATOM 1320 CB LYS A 104 85.676 35.880 -26.821 1.00 0.00 C ATOM 1321 CG LYS A 104 86.332 35.062 -27.946 1.00 0.00 C ATOM 1322 CD LYS A 104 87.277 35.939 -28.784 1.00 0.00 C ATOM 1323 CE LYS A 104 87.883 35.194 -29.985 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.883 34.162 -29.584 1.00 0.00 N ATOM 0 H LYS A 104 83.606 34.925 -27.693 1.00 0.00 H new ATOM 0 HA LYS A 104 85.276 34.147 -25.586 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.109 36.702 -27.257 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.453 36.324 -26.198 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.888 34.228 -27.518 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.561 34.635 -28.588 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.731 36.811 -29.143 1.00 0.00 H new ATOM 0 HD3 LYS A 104 88.082 36.306 -28.148 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.083 34.717 -30.551 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.359 35.914 -30.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.257 33.693 -30.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.663 34.617 -29.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.427 33.456 -28.971 1.00 0.00 H new ATOM 1338 N ALA A 105 83.260 36.620 -24.769 1.00 0.00 N ATOM 1339 CA ALA A 105 82.721 37.351 -23.617 1.00 0.00 C ATOM 1340 C ALA A 105 82.215 36.396 -22.527 1.00 0.00 C ATOM 1341 O ALA A 105 82.510 36.585 -21.347 1.00 0.00 O ATOM 1342 CB ALA A 105 81.636 38.330 -24.086 1.00 0.00 C ATOM 0 H ALA A 105 82.751 36.791 -25.636 1.00 0.00 H new ATOM 0 HA ALA A 105 83.524 37.930 -23.160 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.238 38.871 -23.227 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.067 39.039 -24.794 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.832 37.777 -24.571 1.00 0.00 H new ATOM 1348 N ILE A 106 81.526 35.324 -22.927 1.00 0.00 N ATOM 1349 CA ILE A 106 80.975 34.327 -22.002 1.00 0.00 C ATOM 1350 C ILE A 106 82.112 33.498 -21.398 1.00 0.00 C ATOM 1351 O ILE A 106 82.178 33.379 -20.178 1.00 0.00 O ATOM 1352 CB ILE A 106 79.879 33.490 -22.703 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.550 34.273 -22.806 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.572 32.178 -21.954 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.594 35.609 -23.563 1.00 0.00 C ATOM 0 H ILE A 106 81.333 35.121 -23.908 1.00 0.00 H new ATOM 0 HA ILE A 106 80.477 34.817 -21.165 1.00 0.00 H new ATOM 0 HB ILE A 106 80.277 33.267 -23.693 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.814 33.632 -23.290 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.189 34.466 -21.796 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.796 31.628 -22.487 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.475 31.570 -21.899 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.227 32.407 -20.946 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.601 36.059 -23.565 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.297 36.282 -23.072 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.915 35.435 -24.590 1.00 0.00 H new ATOM 1367 N PHE A 107 83.053 33.012 -22.212 1.00 0.00 N ATOM 1368 CA PHE A 107 84.226 32.269 -21.723 1.00 0.00 C ATOM 1369 C PHE A 107 85.045 33.061 -20.690 1.00 0.00 C ATOM 1370 O PHE A 107 85.444 32.520 -19.658 1.00 0.00 O ATOM 1371 CB PHE A 107 85.167 31.919 -22.886 1.00 0.00 C ATOM 1372 CG PHE A 107 84.618 31.130 -24.059 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.531 30.244 -23.923 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.255 31.267 -25.306 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.091 29.494 -25.029 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.816 30.519 -26.413 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.737 29.627 -26.271 1.00 0.00 C ATOM 0 H PHE A 107 83.027 33.120 -23.226 1.00 0.00 H new ATOM 0 HA PHE A 107 83.831 31.370 -21.249 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.570 32.853 -23.277 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.006 31.357 -22.474 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.035 30.141 -22.969 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.085 31.950 -25.414 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.257 28.816 -24.924 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.306 30.629 -27.369 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.405 29.044 -27.117 1.00 0.00 H new ATOM 1387 N ARG A 108 85.310 34.345 -20.975 1.00 0.00 N ATOM 1388 CA ARG A 108 86.210 35.199 -20.193 1.00 0.00 C ATOM 1389 C ARG A 108 85.553 35.734 -18.914 1.00 0.00 C ATOM 1390 O ARG A 108 86.203 35.771 -17.870 1.00 0.00 O ATOM 1391 CB ARG A 108 86.724 36.291 -21.148 1.00 0.00 C ATOM 1392 CG ARG A 108 88.028 36.966 -20.700 1.00 0.00 C ATOM 1393 CD ARG A 108 87.885 38.442 -20.293 1.00 0.00 C ATOM 1394 NE ARG A 108 87.274 38.623 -18.957 1.00 0.00 N ATOM 1395 CZ ARG A 108 87.884 38.544 -17.783 1.00 0.00 C ATOM 1396 NH1 ARG A 108 89.136 38.194 -17.669 1.00 0.00 N ATOM 1397 NH2 ARG A 108 87.246 38.833 -16.684 1.00 0.00 N ATOM 0 H ARG A 108 84.895 34.826 -21.773 1.00 0.00 H new ATOM 0 HA ARG A 108 87.057 34.630 -19.810 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.877 35.851 -22.134 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.953 37.054 -21.256 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.437 36.410 -19.857 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.754 36.896 -21.510 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.869 38.911 -20.302 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.278 38.960 -21.036 1.00 0.00 H new ATOM 0 HE ARG A 108 86.276 38.831 -18.938 1.00 0.00 H new ATOM 0 HH11 ARG A 108 89.681 37.970 -18.502 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.570 38.145 -16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 108 86.269 39.123 -16.723 1.00 0.00 H new ATOM 0 HH22 ARG A 108 87.724 38.769 -15.785 1.00 0.00 H new ATOM 1411 N ARG A 109 84.260 36.092 -18.969 1.00 0.00 N ATOM 1412 CA ARG A 109 83.469 36.528 -17.797 1.00 0.00 C ATOM 1413 C ARG A 109 83.063 35.357 -16.889 1.00 0.00 C ATOM 1414 O ARG A 109 83.074 35.501 -15.667 1.00 0.00 O ATOM 1415 CB ARG A 109 82.250 37.333 -18.288 1.00 0.00 C ATOM 1416 CG ARG A 109 81.507 38.035 -17.141 1.00 0.00 C ATOM 1417 CD ARG A 109 80.365 38.907 -17.674 1.00 0.00 C ATOM 1418 NE ARG A 109 79.585 39.484 -16.558 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.762 40.647 -15.954 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.703 41.477 -16.307 1.00 0.00 N ATOM 1421 NH2 ARG A 109 78.987 41.001 -14.970 1.00 0.00 N ATOM 0 H ARG A 109 83.724 36.088 -19.837 1.00 0.00 H new ATOM 0 HA ARG A 109 84.093 37.169 -17.174 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.579 38.078 -19.013 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.562 36.665 -18.807 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.109 37.290 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.205 38.651 -16.575 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.770 39.707 -18.293 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.712 38.311 -18.311 1.00 0.00 H new ATOM 0 HE ARG A 109 78.814 38.914 -16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 109 81.333 41.238 -17.073 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.809 42.366 -15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 109 78.239 40.380 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 109 79.128 41.899 -14.508 1.00 0.00 H new ATOM 1435 N TYR A 110 82.746 34.203 -17.482 1.00 0.00 N ATOM 1436 CA TYR A 110 82.245 33.003 -16.805 1.00 0.00 C ATOM 1437 C TYR A 110 83.141 31.782 -17.111 1.00 0.00 C ATOM 1438 O TYR A 110 82.803 30.955 -17.964 1.00 0.00 O ATOM 1439 CB TYR A 110 80.772 32.790 -17.198 1.00 0.00 C ATOM 1440 CG TYR A 110 79.879 33.991 -16.950 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.742 34.514 -15.650 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.211 34.602 -18.027 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.958 35.667 -15.437 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.394 35.730 -17.809 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.265 36.263 -16.510 1.00 0.00 C ATOM 1446 OH TYR A 110 77.474 37.348 -16.282 1.00 0.00 O ATOM 0 H TYR A 110 82.835 34.074 -18.490 1.00 0.00 H new ATOM 0 HA TYR A 110 82.287 33.133 -15.724 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.724 32.529 -18.255 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.379 31.939 -16.642 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.236 34.034 -14.818 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.325 34.205 -19.025 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.888 36.095 -14.448 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.868 36.185 -18.635 1.00 0.00 H new ATOM 0 HH TYR A 110 77.068 37.640 -17.125 1.00 0.00 H new ATOM 1456 N PRO A 111 84.291 31.633 -16.419 1.00 0.00 N ATOM 1457 CA PRO A 111 85.282 30.591 -16.716 1.00 0.00 C ATOM 1458 C PRO A 111 84.807 29.156 -16.418 1.00 0.00 C ATOM 1459 O PRO A 111 85.465 28.198 -16.828 1.00 0.00 O ATOM 1460 CB PRO A 111 86.522 30.971 -15.900 1.00 0.00 C ATOM 1461 CG PRO A 111 85.947 31.744 -14.715 1.00 0.00 C ATOM 1462 CD PRO A 111 84.778 32.493 -15.347 1.00 0.00 C ATOM 0 HA PRO A 111 85.483 30.561 -17.787 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.074 30.089 -15.574 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.213 31.582 -16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.619 31.078 -13.917 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.679 32.425 -14.281 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.995 32.686 -14.614 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.097 33.460 -15.735 1.00 0.00 H new ATOM 1470 N HIS A 112 83.657 28.983 -15.753 1.00 0.00 N ATOM 1471 CA HIS A 112 82.987 27.687 -15.579 1.00 0.00 C ATOM 1472 C HIS A 112 82.160 27.250 -16.804 1.00 0.00 C ATOM 1473 O HIS A 112 81.835 26.068 -16.940 1.00 0.00 O ATOM 1474 CB HIS A 112 82.112 27.760 -14.322 1.00 0.00 C ATOM 1475 CG HIS A 112 80.828 28.545 -14.476 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.703 29.879 -14.891 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.588 28.050 -14.198 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.385 30.155 -14.827 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.706 29.084 -14.402 1.00 0.00 N ATOM 0 H HIS A 112 83.157 29.755 -15.312 1.00 0.00 H new ATOM 0 HA HIS A 112 83.757 26.923 -15.469 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.864 26.745 -14.012 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.697 28.205 -13.517 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.347 27.046 -13.881 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.941 31.106 -15.083 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.698 29.042 -14.253 1.00 0.00 H new ATOM 1487 N LEU A 113 81.821 28.193 -17.691 1.00 0.00 N ATOM 1488 CA LEU A 113 80.921 28.035 -18.832 1.00 0.00 C ATOM 1489 C LEU A 113 81.657 27.754 -20.167 1.00 0.00 C ATOM 1490 O LEU A 113 81.022 27.391 -21.162 1.00 0.00 O ATOM 1491 CB LEU A 113 80.063 29.323 -18.869 1.00 0.00 C ATOM 1492 CG LEU A 113 78.547 29.144 -19.022 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.215 28.522 -20.369 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.925 28.302 -17.914 1.00 0.00 C ATOM 0 H LEU A 113 82.191 29.141 -17.625 1.00 0.00 H new ATOM 0 HA LEU A 113 80.296 27.150 -18.710 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.248 29.880 -17.950 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.416 29.942 -19.694 1.00 0.00 H new ATOM 0 HG LEU A 113 78.119 30.144 -18.952 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.135 28.403 -20.459 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.576 29.170 -21.168 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.695 27.547 -20.448 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.852 28.215 -18.082 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.375 27.309 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.103 28.779 -16.950 1.00 0.00 H new ATOM 1506 N ARG A 114 82.990 27.902 -20.199 1.00 0.00 N ATOM 1507 CA ARG A 114 83.845 27.563 -21.356 1.00 0.00 C ATOM 1508 C ARG A 114 83.964 26.049 -21.608 1.00 0.00 C ATOM 1509 O ARG A 114 84.188 25.664 -22.779 1.00 0.00 O ATOM 1510 CB ARG A 114 85.207 28.275 -21.246 1.00 0.00 C ATOM 1511 CG ARG A 114 86.141 27.760 -20.137 1.00 0.00 C ATOM 1512 CD ARG A 114 87.073 26.632 -20.600 1.00 0.00 C ATOM 1513 NE ARG A 114 87.933 26.164 -19.497 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.814 25.183 -19.550 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.034 24.504 -20.641 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.503 24.861 -18.494 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.837 25.245 -20.653 1.00 0.00 O ATOM 0 H ARG A 114 83.518 28.268 -19.407 1.00 0.00 H new ATOM 0 HA ARG A 114 83.349 27.941 -22.250 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.723 28.183 -22.202 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.029 29.338 -21.081 1.00 0.00 H new ATOM 0 HG2 ARG A 114 86.743 28.589 -19.765 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.539 27.404 -19.301 1.00 0.00 H new ATOM 0 HD2 ARG A 114 86.480 25.800 -20.981 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.693 26.984 -21.424 1.00 0.00 H new ATOM 0 HE ARG A 114 87.837 26.647 -18.604 1.00 0.00 H new ATOM 0 HH11 ARG A 114 88.517 24.725 -21.492 1.00 0.00 H new ATOM 0 HH12 ARG A 114 89.723 23.752 -20.644 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.363 25.368 -17.620 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.183 24.102 -18.540 1.00 0.00 H new TER 1531 ARG A 114