USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 930 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 40 TYR OH : rot 50:sc= -0.114 USER MOD Set 1.2: A 92 ASN : amide:sc=-0.00273 X(o=-0.12,f=-0.43) USER MOD Set 2.1: A 11 GLN : amide:sc= 0.566 K(o=1.2,f=-0.74) USER MOD Set 2.2: A 78 TYR OH : rot 73:sc= 0.65 USER MOD Single : A 0 MET CE :methyl -173:sc= -1.47 (180deg=-1.81) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.242 (180deg=-0.915) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -72:sc= 0.522 USER MOD Single : A -1 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.1) USER MOD Single : A -2 SER OG : rot 180:sc= 0.0403 USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.113) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc=-0.00253 (180deg=-0.111) USER MOD Single : A 18 GLN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0048 USER MOD Single : A 24 MET CE :methyl -109:sc= -0.683 (180deg=-0.921) USER MOD Single : A 25 CYS SG : rot 150:sc= -0.984 USER MOD Single : A 33 ASN : amide:sc= 0.514 K(o=0.51,f=-0.86) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -177:sc= -0.933 (180deg=-0.971) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -37:sc= 0.487 USER MOD Single : A 73 GLN : amide:sc= 0.12 X(o=0.12,f=-0.31) USER MOD Single : A 74 THR OG1 : rot 92:sc= 0.774 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HE2:sc= -0.494 K(o=-0.49,f=-1.4) USER MOD Single : A -12 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=-0.2) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A -17 SER OG : rot 180:sc= 0.00397 USER MOD Single : A -18 SER OG : rot 180:sc= 0.00418 USER MOD Single : A -20 MET CE :methyl 157:sc= -0.177 (180deg=-0.709) USER MOD Single : A -20 MET N :NH3+ -132:sc= 0.125 (180deg=-0.0231) USER MOD Single : A 102 SER OG : rot 47:sc= 0.0651 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 103.620 37.815 3.949 1.00 0.00 N ATOM 2 CA MET A -20 105.004 37.428 3.592 1.00 0.00 C ATOM 3 C MET A -20 105.745 38.614 2.988 1.00 0.00 C ATOM 4 O MET A -20 105.259 39.744 3.033 1.00 0.00 O ATOM 5 CB MET A -20 105.003 36.260 2.596 1.00 0.00 C ATOM 6 CG MET A -20 104.462 34.958 3.167 1.00 0.00 C ATOM 7 SD MET A -20 104.563 33.588 1.993 1.00 0.00 S ATOM 8 CE MET A -20 106.337 33.454 1.779 1.00 0.00 C ATOM 0 H1 MET A -20 103.408 37.495 4.916 1.00 0.00 H new ATOM 0 H2 MET A -20 103.525 38.849 3.898 1.00 0.00 H new ATOM 0 H3 MET A -20 102.953 37.373 3.284 1.00 0.00 H new ATOM 0 HA MET A -20 105.512 37.112 4.503 1.00 0.00 H new ATOM 0 HB2 MET A -20 104.407 36.538 1.727 1.00 0.00 H new ATOM 0 HB3 MET A -20 106.022 36.095 2.245 1.00 0.00 H new ATOM 0 HG2 MET A -20 105.020 34.701 4.068 1.00 0.00 H new ATOM 0 HG3 MET A -20 103.423 35.100 3.465 1.00 0.00 H new ATOM 0 HE1 MET A -20 106.587 32.450 1.437 1.00 0.00 H new ATOM 0 HE2 MET A -20 106.670 34.183 1.040 1.00 0.00 H new ATOM 0 HE3 MET A -20 106.834 33.648 2.730 1.00 0.00 H new ATOM 20 N GLY A -19 106.925 38.344 2.434 1.00 0.00 N ATOM 21 CA GLY A -19 107.728 39.383 1.817 1.00 0.00 C ATOM 22 C GLY A -19 106.975 40.158 0.757 1.00 0.00 C ATOM 23 O GLY A -19 106.097 39.609 0.086 1.00 0.00 O ATOM 0 H GLY A -19 107.341 37.413 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A -19 108.074 40.073 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A -19 108.614 38.933 1.370 1.00 0.00 H new ATOM 27 N SER A -18 107.320 41.431 0.618 1.00 0.00 N ATOM 28 CA SER A -18 106.649 42.325 -0.318 1.00 0.00 C ATOM 29 C SER A -18 106.724 41.786 -1.744 1.00 0.00 C ATOM 30 O SER A -18 105.701 41.573 -2.394 1.00 0.00 O ATOM 31 CB SER A -18 107.288 43.711 -0.244 1.00 0.00 C ATOM 32 OG SER A -18 107.410 44.143 1.104 1.00 0.00 O ATOM 0 H SER A -18 108.071 41.873 1.149 1.00 0.00 H new ATOM 0 HA SER A -18 105.597 42.392 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A -18 108.272 43.688 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A -18 106.684 44.424 -0.805 1.00 0.00 H new ATOM 0 HG SER A -18 107.823 45.031 1.127 1.00 0.00 H new ATOM 38 N SER A -17 107.938 41.570 -2.225 1.00 0.00 N ATOM 39 CA SER A -17 108.144 41.009 -3.545 1.00 0.00 C ATOM 40 C SER A -17 108.490 39.533 -3.434 1.00 0.00 C ATOM 41 O SER A -17 109.283 39.134 -2.578 1.00 0.00 O ATOM 42 CB SER A -17 109.247 41.776 -4.275 1.00 0.00 C ATOM 43 OG SER A -17 110.371 41.976 -3.431 1.00 0.00 O ATOM 0 H SER A -17 108.797 41.777 -1.716 1.00 0.00 H new ATOM 0 HA SER A -17 107.224 41.103 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A -17 109.550 41.225 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A -17 108.864 42.740 -4.611 1.00 0.00 H new ATOM 0 HG SER A -17 111.064 42.467 -3.920 1.00 0.00 H new ATOM 49 N HIS A -16 107.870 38.722 -4.272 1.00 0.00 N ATOM 50 CA HIS A -16 108.090 37.286 -4.242 1.00 0.00 C ATOM 51 C HIS A -16 109.065 36.872 -5.333 1.00 0.00 C ATOM 52 O HIS A -16 108.837 37.144 -6.514 1.00 0.00 O ATOM 53 CB HIS A -16 106.771 36.527 -4.428 1.00 0.00 C ATOM 54 CG HIS A -16 105.706 36.881 -3.431 1.00 0.00 C ATOM 55 ND1 HIS A -16 104.367 36.659 -3.657 1.00 0.00 N ATOM 56 CD2 HIS A -16 105.788 37.442 -2.201 1.00 0.00 C ATOM 57 CE1 HIS A -16 103.672 37.068 -2.615 1.00 0.00 C ATOM 58 NE2 HIS A -16 104.508 37.551 -1.714 1.00 0.00 N ATOM 0 H HIS A -16 107.209 39.033 -4.983 1.00 0.00 H new ATOM 0 HA HIS A -16 108.510 37.036 -3.268 1.00 0.00 H new ATOM 0 HB2 HIS A -16 106.392 36.722 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A -16 106.970 35.457 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A -16 106.693 37.747 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A -16 102.598 37.017 -2.515 1.00 0.00 H new ATOM 0 HE2 HIS A -16 104.247 37.940 -0.808 1.00 0.00 H new ATOM 67 N HIS A -15 110.153 36.225 -4.937 1.00 0.00 N ATOM 68 CA HIS A -15 111.100 35.673 -5.899 1.00 0.00 C ATOM 69 C HIS A -15 110.452 34.517 -6.651 1.00 0.00 C ATOM 70 O HIS A -15 110.632 34.361 -7.857 1.00 0.00 O ATOM 71 CB HIS A -15 112.381 35.196 -5.205 1.00 0.00 C ATOM 72 CG HIS A -15 113.229 36.304 -4.663 1.00 0.00 C ATOM 73 ND1 HIS A -15 114.064 37.062 -5.449 1.00 0.00 N ATOM 74 CD2 HIS A -15 113.375 36.776 -3.403 1.00 0.00 C ATOM 75 CE1 HIS A -15 114.688 37.950 -4.700 1.00 0.00 C ATOM 76 NE2 HIS A -15 114.288 37.798 -3.452 1.00 0.00 N ATOM 0 H HIS A -15 110.402 36.069 -3.960 1.00 0.00 H new ATOM 0 HA HIS A -15 111.372 36.459 -6.603 1.00 0.00 H new ATOM 0 HB2 HIS A -15 112.112 34.526 -4.389 1.00 0.00 H new ATOM 0 HB3 HIS A -15 112.971 34.614 -5.913 1.00 0.00 H new ATOM 0 HD2 HIS A -15 112.866 36.414 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A -15 115.405 38.678 -5.049 1.00 0.00 H new ATOM 0 HE2 HIS A -15 114.606 38.350 -2.655 1.00 0.00 H new ATOM 85 N HIS A -14 109.683 33.718 -5.923 1.00 0.00 N ATOM 86 CA HIS A -14 108.920 32.637 -6.525 1.00 0.00 C ATOM 87 C HIS A -14 107.486 33.086 -6.729 1.00 0.00 C ATOM 88 O HIS A -14 106.815 33.505 -5.786 1.00 0.00 O ATOM 89 CB HIS A -14 108.964 31.376 -5.658 1.00 0.00 C ATOM 90 CG HIS A -14 110.309 30.722 -5.622 1.00 0.00 C ATOM 91 ND1 HIS A -14 110.651 29.667 -6.438 1.00 0.00 N ATOM 92 CD2 HIS A -14 111.397 30.973 -4.860 1.00 0.00 C ATOM 93 CE1 HIS A -14 111.890 29.298 -6.176 1.00 0.00 C ATOM 94 NE2 HIS A -14 112.369 30.076 -5.226 1.00 0.00 N ATOM 0 H HIS A -14 109.572 33.800 -4.912 1.00 0.00 H new ATOM 0 HA HIS A -14 109.366 32.391 -7.488 1.00 0.00 H new ATOM 0 HB2 HIS A -14 108.667 31.633 -4.641 1.00 0.00 H new ATOM 0 HB3 HIS A -14 108.231 30.661 -6.033 1.00 0.00 H new ATOM 0 HD2 HIS A -14 111.485 31.738 -4.103 1.00 0.00 H new ATOM 0 HE1 HIS A -14 112.423 28.493 -6.659 1.00 0.00 H new ATOM 0 HE2 HIS A -14 113.307 30.021 -4.829 1.00 0.00 H new ATOM 103 N HIS A -13 107.026 32.996 -7.964 1.00 0.00 N ATOM 104 CA HIS A -13 105.723 33.529 -8.339 1.00 0.00 C ATOM 105 C HIS A -13 104.606 32.653 -7.792 1.00 0.00 C ATOM 106 O HIS A -13 103.661 33.150 -7.181 1.00 0.00 O ATOM 107 CB HIS A -13 105.616 33.648 -9.861 1.00 0.00 C ATOM 108 CG HIS A -13 106.756 34.404 -10.472 1.00 0.00 C ATOM 109 ND1 HIS A -13 107.425 33.979 -11.598 1.00 0.00 N ATOM 110 CD2 HIS A -13 107.358 35.555 -10.093 1.00 0.00 C ATOM 111 CE1 HIS A -13 108.392 34.833 -11.879 1.00 0.00 C ATOM 112 NE2 HIS A -13 108.375 35.799 -10.982 1.00 0.00 N ATOM 0 H HIS A -13 107.537 32.557 -8.730 1.00 0.00 H new ATOM 0 HA HIS A -13 105.619 34.523 -7.904 1.00 0.00 H new ATOM 0 HB2 HIS A -13 105.575 32.649 -10.296 1.00 0.00 H new ATOM 0 HB3 HIS A -13 104.680 34.145 -10.116 1.00 0.00 H new ATOM 0 HD2 HIS A -13 107.088 36.169 -9.247 1.00 0.00 H new ATOM 0 HE1 HIS A -13 109.082 34.753 -12.706 1.00 0.00 H new ATOM 0 HE2 HIS A -13 109.012 36.595 -10.953 1.00 0.00 H new ATOM 121 N HIS A -12 104.718 31.352 -8.010 1.00 0.00 N ATOM 122 CA HIS A -12 103.757 30.405 -7.462 1.00 0.00 C ATOM 123 C HIS A -12 104.429 29.462 -6.482 1.00 0.00 C ATOM 124 O HIS A -12 105.558 29.020 -6.702 1.00 0.00 O ATOM 125 CB HIS A -12 103.083 29.589 -8.567 1.00 0.00 C ATOM 126 CG HIS A -12 102.076 30.353 -9.367 1.00 0.00 C ATOM 127 ND1 HIS A -12 101.185 31.241 -8.808 1.00 0.00 N ATOM 128 CD2 HIS A -12 101.815 30.348 -10.694 1.00 0.00 C ATOM 129 CE1 HIS A -12 100.416 31.746 -9.754 1.00 0.00 C ATOM 130 NE2 HIS A -12 100.780 31.221 -10.909 1.00 0.00 N ATOM 0 H HIS A -12 105.463 30.927 -8.562 1.00 0.00 H new ATOM 0 HA HIS A -12 102.995 30.985 -6.942 1.00 0.00 H new ATOM 0 HB2 HIS A -12 103.850 29.206 -9.240 1.00 0.00 H new ATOM 0 HB3 HIS A -12 102.593 28.725 -8.118 1.00 0.00 H new ATOM 0 HD2 HIS A -12 102.327 29.765 -11.445 1.00 0.00 H new ATOM 0 HE1 HIS A -12 99.624 32.466 -9.608 1.00 0.00 H new ATOM 0 HE2 HIS A -12 100.360 31.431 -11.814 1.00 0.00 H new ATOM 139 N HIS A -11 103.735 29.161 -5.398 1.00 0.00 N ATOM 140 CA HIS A -11 104.223 28.208 -4.417 1.00 0.00 C ATOM 141 C HIS A -11 103.329 26.977 -4.412 1.00 0.00 C ATOM 142 O HIS A -11 102.104 27.092 -4.400 1.00 0.00 O ATOM 143 CB HIS A -11 104.269 28.843 -3.024 1.00 0.00 C ATOM 144 CG HIS A -11 105.250 29.967 -2.919 1.00 0.00 C ATOM 145 ND1 HIS A -11 104.881 31.289 -2.774 1.00 0.00 N ATOM 146 CD2 HIS A -11 106.600 29.959 -2.941 1.00 0.00 C ATOM 147 CE1 HIS A -11 105.964 32.039 -2.713 1.00 0.00 C ATOM 148 NE2 HIS A -11 107.022 31.257 -2.808 1.00 0.00 N ATOM 0 H HIS A -11 102.826 29.566 -5.174 1.00 0.00 H new ATOM 0 HA HIS A -11 105.237 27.911 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A -11 103.276 29.211 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A -11 104.524 28.077 -2.291 1.00 0.00 H new ATOM 0 HD1 HIS A -11 103.922 31.632 -2.722 1.00 0.00 H new ATOM 0 HD2 HIS A -11 107.232 29.089 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A -11 105.982 33.113 -2.604 1.00 0.00 H new ATOM 157 N SER A -10 103.941 25.805 -4.429 1.00 0.00 N ATOM 158 CA SER A -10 103.200 24.555 -4.504 1.00 0.00 C ATOM 159 C SER A -10 102.929 23.999 -3.108 1.00 0.00 C ATOM 160 O SER A -10 102.904 22.787 -2.896 1.00 0.00 O ATOM 161 CB SER A -10 103.994 23.555 -5.342 1.00 0.00 C ATOM 162 OG SER A -10 104.306 24.107 -6.614 1.00 0.00 O ATOM 0 H SER A -10 104.954 25.692 -4.392 1.00 0.00 H new ATOM 0 HA SER A -10 102.235 24.736 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A -10 104.913 23.284 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A -10 103.417 22.639 -5.468 1.00 0.00 H new ATOM 0 HG SER A -10 104.816 23.454 -7.138 1.00 0.00 H new ATOM 168 N SER A -9 102.707 24.902 -2.165 1.00 0.00 N ATOM 169 CA SER A -9 102.431 24.530 -0.790 1.00 0.00 C ATOM 170 C SER A -9 101.143 25.194 -0.304 1.00 0.00 C ATOM 171 O SER A -9 101.071 25.711 0.815 1.00 0.00 O ATOM 172 CB SER A -9 103.616 24.923 0.094 1.00 0.00 C ATOM 173 OG SER A -9 104.066 26.241 -0.199 1.00 0.00 O ATOM 0 H SER A -9 102.713 25.908 -2.332 1.00 0.00 H new ATOM 0 HA SER A -9 102.292 23.451 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A -9 103.326 24.860 1.143 1.00 0.00 H new ATOM 0 HB3 SER A -9 104.433 24.216 -0.054 1.00 0.00 H new ATOM 0 HG SER A -9 104.822 26.465 0.382 1.00 0.00 H new ATOM 179 N GLY A -8 100.125 25.177 -1.156 1.00 0.00 N ATOM 180 CA GLY A -8 98.845 25.751 -0.794 1.00 0.00 C ATOM 181 C GLY A -8 97.998 24.790 0.016 1.00 0.00 C ATOM 182 O GLY A -8 98.321 23.605 0.119 1.00 0.00 O ATOM 0 H GLY A -8 100.164 24.775 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A -8 99.007 26.663 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A -8 98.307 26.035 -1.698 1.00 0.00 H new ATOM 186 N LEU A -7 96.906 25.294 0.573 1.00 0.00 N ATOM 187 CA LEU A -7 96.037 24.494 1.426 1.00 0.00 C ATOM 188 C LEU A -7 95.257 23.485 0.596 1.00 0.00 C ATOM 189 O LEU A -7 94.952 23.741 -0.571 1.00 0.00 O ATOM 190 CB LEU A -7 95.065 25.386 2.212 1.00 0.00 C ATOM 191 CG LEU A -7 95.695 26.306 3.267 1.00 0.00 C ATOM 192 CD1 LEU A -7 96.656 25.532 4.157 1.00 0.00 C ATOM 193 CD2 LEU A -7 96.393 27.495 2.619 1.00 0.00 C ATOM 0 H LEU A -7 96.599 26.259 0.449 1.00 0.00 H new ATOM 0 HA LEU A -7 96.667 23.958 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A -7 94.516 26.004 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A -7 94.336 24.745 2.707 1.00 0.00 H new ATOM 0 HG LEU A -7 94.890 26.694 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A -7 97.090 26.205 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A -7 96.117 24.733 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A -7 97.451 25.102 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A -7 96.829 28.127 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A -7 97.181 27.137 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A -7 95.669 28.072 2.044 1.00 0.00 H new ATOM 205 N VAL A -6 94.932 22.348 1.213 1.00 0.00 N ATOM 206 CA VAL A -6 94.233 21.253 0.542 1.00 0.00 C ATOM 207 C VAL A -6 95.099 20.654 -0.565 1.00 0.00 C ATOM 208 O VAL A -6 95.182 21.192 -1.672 1.00 0.00 O ATOM 209 CB VAL A -6 92.865 21.692 -0.037 1.00 0.00 C ATOM 210 CG1 VAL A -6 92.172 20.530 -0.736 1.00 0.00 C ATOM 211 CG2 VAL A -6 91.974 22.255 1.063 1.00 0.00 C ATOM 0 H VAL A -6 95.146 22.161 2.193 1.00 0.00 H new ATOM 0 HA VAL A -6 94.041 20.494 1.300 1.00 0.00 H new ATOM 0 HB VAL A -6 93.046 22.475 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A -6 91.214 20.864 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A -6 92.798 20.171 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A -6 92.007 19.722 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A -6 91.018 22.558 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A -6 91.807 21.491 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A -6 92.459 23.119 1.517 1.00 0.00 H new ATOM 221 N PRO A -5 95.786 19.545 -0.269 1.00 0.00 N ATOM 222 CA PRO A -5 96.644 18.863 -1.234 1.00 0.00 C ATOM 223 C PRO A -5 95.836 18.046 -2.236 1.00 0.00 C ATOM 224 O PRO A -5 94.688 17.688 -1.972 1.00 0.00 O ATOM 225 CB PRO A -5 97.515 17.935 -0.369 1.00 0.00 C ATOM 226 CG PRO A -5 97.155 18.233 1.053 1.00 0.00 C ATOM 227 CD PRO A -5 95.793 18.865 1.027 1.00 0.00 C ATOM 0 HA PRO A -5 97.224 19.569 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO A -5 97.325 16.889 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A -5 98.575 18.116 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A -5 97.148 17.321 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A -5 97.885 18.904 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A -5 94.999 18.122 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A -5 95.653 19.563 1.853 1.00 0.00 H new ATOM 235 N ARG A -4 96.442 17.758 -3.383 1.00 0.00 N ATOM 236 CA ARG A -4 95.796 16.946 -4.411 1.00 0.00 C ATOM 237 C ARG A -4 95.488 15.543 -3.897 1.00 0.00 C ATOM 238 O ARG A -4 94.517 14.916 -4.317 1.00 0.00 O ATOM 239 CB ARG A -4 96.679 16.831 -5.654 1.00 0.00 C ATOM 240 CG ARG A -4 96.788 18.106 -6.472 1.00 0.00 C ATOM 241 CD ARG A -4 97.519 17.843 -7.779 1.00 0.00 C ATOM 242 NE ARG A -4 96.934 16.709 -8.499 1.00 0.00 N ATOM 243 CZ ARG A -4 97.574 15.982 -9.410 1.00 0.00 C ATOM 244 NH1 ARG A -4 98.806 16.300 -9.789 1.00 0.00 N ATOM 245 NH2 ARG A -4 96.964 14.936 -9.949 1.00 0.00 N ATOM 0 H ARG A -4 97.381 18.075 -3.625 1.00 0.00 H new ATOM 0 HA ARG A -4 94.863 17.447 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A -4 97.679 16.526 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A -4 96.286 16.039 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A -4 95.792 18.498 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A -4 97.318 18.867 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A -4 97.479 18.734 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A -4 98.571 17.643 -7.576 1.00 0.00 H new ATOM 0 HE ARG A -4 95.968 16.460 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A -4 99.272 17.110 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A -4 99.286 15.734 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A -4 96.014 14.697 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A -4 97.444 14.370 -10.649 1.00 0.00 H new ATOM 259 N GLY A -3 96.327 15.052 -2.997 1.00 0.00 N ATOM 260 CA GLY A -3 96.171 13.698 -2.508 1.00 0.00 C ATOM 261 C GLY A -3 97.009 12.720 -3.302 1.00 0.00 C ATOM 262 O GLY A -3 96.916 11.508 -3.112 1.00 0.00 O ATOM 0 H GLY A -3 97.112 15.566 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A -3 96.458 13.655 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A -3 95.122 13.409 -2.564 1.00 0.00 H new ATOM 266 N SER A -2 97.855 13.259 -4.174 1.00 0.00 N ATOM 267 CA SER A -2 98.720 12.456 -5.034 1.00 0.00 C ATOM 268 C SER A -2 99.909 11.883 -4.255 1.00 0.00 C ATOM 269 O SER A -2 101.004 11.720 -4.791 1.00 0.00 O ATOM 270 CB SER A -2 99.203 13.323 -6.196 1.00 0.00 C ATOM 271 OG SER A -2 99.590 14.611 -5.737 1.00 0.00 O ATOM 0 H SER A -2 97.961 14.265 -4.305 1.00 0.00 H new ATOM 0 HA SER A -2 98.151 11.609 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A -2 100.046 12.840 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A -2 98.410 13.419 -6.938 1.00 0.00 H new ATOM 0 HG SER A -2 99.898 15.150 -6.496 1.00 0.00 H new ATOM 277 N HIS A -1 99.671 11.571 -2.992 1.00 0.00 N ATOM 278 CA HIS A -1 100.686 10.997 -2.126 1.00 0.00 C ATOM 279 C HIS A -1 100.188 9.657 -1.587 1.00 0.00 C ATOM 280 O HIS A -1 100.901 8.949 -0.880 1.00 0.00 O ATOM 281 CB HIS A -1 100.996 11.975 -0.983 1.00 0.00 C ATOM 282 CG HIS A -1 102.147 11.577 -0.103 1.00 0.00 C ATOM 283 ND1 HIS A -1 102.176 11.839 1.250 1.00 0.00 N ATOM 284 CD2 HIS A -1 103.318 10.963 -0.390 1.00 0.00 C ATOM 285 CE1 HIS A -1 103.316 11.404 1.756 1.00 0.00 C ATOM 286 NE2 HIS A -1 104.027 10.867 0.782 1.00 0.00 N ATOM 0 H HIS A -1 98.768 11.709 -2.538 1.00 0.00 H new ATOM 0 HA HIS A -1 101.605 10.824 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A -1 101.207 12.955 -1.411 1.00 0.00 H new ATOM 0 HB3 HIS A -1 100.105 12.082 -0.364 1.00 0.00 H new ATOM 0 HD2 HIS A -1 103.636 10.613 -1.361 1.00 0.00 H new ATOM 0 HE1 HIS A -1 103.616 11.476 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A -1 104.952 10.449 0.883 1.00 0.00 H new ATOM 295 N MET A 0 98.947 9.329 -1.938 1.00 0.00 N ATOM 296 CA MET A 0 98.328 8.070 -1.544 1.00 0.00 C ATOM 297 C MET A 0 97.300 7.638 -2.579 1.00 0.00 C ATOM 298 O MET A 0 96.153 8.086 -2.549 1.00 0.00 O ATOM 299 CB MET A 0 97.646 8.190 -0.179 1.00 0.00 C ATOM 300 CG MET A 0 98.543 7.856 0.998 1.00 0.00 C ATOM 301 SD MET A 0 99.141 6.153 0.954 1.00 0.00 S ATOM 302 CE MET A 0 97.596 5.248 0.965 1.00 0.00 C ATOM 0 H MET A 0 98.345 9.928 -2.502 1.00 0.00 H new ATOM 0 HA MET A 0 99.119 7.323 -1.477 1.00 0.00 H new ATOM 0 HB2 MET A 0 97.274 9.208 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.779 7.529 -0.159 1.00 0.00 H new ATOM 0 HG2 MET A 0 99.395 8.536 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.995 8.021 1.926 1.00 0.00 H new ATOM 0 HE1 MET A 0 97.800 4.182 1.066 1.00 0.00 H new ATOM 0 HE2 MET A 0 96.985 5.582 1.804 1.00 0.00 H new ATOM 0 HE3 MET A 0 97.062 5.429 0.032 1.00 0.00 H new ATOM 312 N MET A 1 97.712 6.787 -3.504 1.00 0.00 N ATOM 313 CA MET A 1 96.800 6.278 -4.519 1.00 0.00 C ATOM 314 C MET A 1 96.038 5.068 -3.993 1.00 0.00 C ATOM 315 O MET A 1 96.304 3.933 -4.385 1.00 0.00 O ATOM 316 CB MET A 1 97.553 5.899 -5.798 1.00 0.00 C ATOM 317 CG MET A 1 98.283 7.058 -6.458 1.00 0.00 C ATOM 318 SD MET A 1 99.016 6.597 -8.042 1.00 0.00 S ATOM 319 CE MET A 1 97.551 6.151 -8.973 1.00 0.00 C ATOM 0 H MET A 1 98.667 6.435 -3.575 1.00 0.00 H new ATOM 0 HA MET A 1 96.092 7.072 -4.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.274 5.116 -5.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 96.845 5.477 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.587 7.883 -6.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.065 7.419 -5.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.762 6.222 -10.040 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.261 5.129 -8.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.737 6.830 -8.719 1.00 0.00 H new ATOM 329 N PHE A 2 95.107 5.311 -3.084 1.00 0.00 N ATOM 330 CA PHE A 2 94.312 4.237 -2.509 1.00 0.00 C ATOM 331 C PHE A 2 93.002 4.087 -3.272 1.00 0.00 C ATOM 332 O PHE A 2 92.085 4.897 -3.128 1.00 0.00 O ATOM 333 CB PHE A 2 94.045 4.498 -1.025 1.00 0.00 C ATOM 334 CG PHE A 2 93.314 3.379 -0.336 1.00 0.00 C ATOM 335 CD1 PHE A 2 93.889 2.123 -0.224 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.052 3.583 0.199 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.220 1.092 0.408 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.380 2.557 0.834 1.00 0.00 C ATOM 339 CZ PHE A 2 91.963 1.310 0.938 1.00 0.00 C ATOM 0 H PHE A 2 94.883 6.241 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 2 94.873 3.306 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 2 94.995 4.666 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.464 5.415 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 2 94.872 1.948 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.589 4.555 0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 2 93.679 0.118 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.398 2.730 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 2 91.438 0.507 1.433 1.00 0.00 H new ATOM 349 N LYS A 3 92.930 3.056 -4.097 1.00 0.00 N ATOM 350 CA LYS A 3 91.753 2.822 -4.916 1.00 0.00 C ATOM 351 C LYS A 3 90.783 1.904 -4.186 1.00 0.00 C ATOM 352 O LYS A 3 90.943 0.687 -4.190 1.00 0.00 O ATOM 353 CB LYS A 3 92.148 2.207 -6.261 1.00 0.00 C ATOM 354 CG LYS A 3 93.195 3.006 -7.023 1.00 0.00 C ATOM 355 CD LYS A 3 93.522 2.353 -8.355 1.00 0.00 C ATOM 356 CE LYS A 3 94.653 3.073 -9.072 1.00 0.00 C ATOM 357 NZ LYS A 3 94.957 2.457 -10.391 1.00 0.00 N ATOM 0 H LYS A 3 93.673 2.368 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 3 91.265 3.778 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.528 1.200 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.257 2.111 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.831 4.020 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 3 94.101 3.088 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.800 1.312 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.634 2.351 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.384 4.120 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.547 3.055 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.733 2.978 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.238 1.465 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 94.112 2.497 -10.996 1.00 0.00 H new ATOM 371 N LEU A 4 89.800 2.497 -3.533 1.00 0.00 N ATOM 372 CA LEU A 4 88.806 1.738 -2.789 1.00 0.00 C ATOM 373 C LEU A 4 87.592 1.466 -3.678 1.00 0.00 C ATOM 374 O LEU A 4 87.017 2.390 -4.252 1.00 0.00 O ATOM 375 CB LEU A 4 88.423 2.514 -1.517 1.00 0.00 C ATOM 376 CG LEU A 4 87.465 1.811 -0.551 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.707 2.293 0.872 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.021 2.077 -0.939 1.00 0.00 C ATOM 0 H LEU A 4 89.667 3.508 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 4 89.215 0.774 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.338 2.755 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.972 3.460 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 4 87.652 0.739 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.020 1.786 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.734 2.070 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.541 3.369 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.357 1.569 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.828 3.149 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 4 85.841 1.704 -1.947 1.00 0.00 H new ATOM 390 N THR A 5 87.227 0.197 -3.803 1.00 0.00 N ATOM 391 CA THR A 5 86.125 -0.206 -4.672 1.00 0.00 C ATOM 392 C THR A 5 84.762 0.055 -4.027 1.00 0.00 C ATOM 393 O THR A 5 84.617 -0.017 -2.805 1.00 0.00 O ATOM 394 CB THR A 5 86.234 -1.695 -5.049 1.00 0.00 C ATOM 395 OG1 THR A 5 86.440 -2.488 -3.873 1.00 0.00 O ATOM 396 CG2 THR A 5 87.376 -1.923 -6.028 1.00 0.00 C ATOM 0 H THR A 5 87.679 -0.575 -3.312 1.00 0.00 H new ATOM 0 HA THR A 5 86.201 0.402 -5.574 1.00 0.00 H new ATOM 0 HB THR A 5 85.301 -1.994 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.348 -2.342 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.434 -2.982 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.199 -1.344 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.314 -1.607 -5.572 1.00 0.00 H new ATOM 404 N PRO A 6 83.745 0.360 -4.853 1.00 0.00 N ATOM 405 CA PRO A 6 82.383 0.645 -4.383 1.00 0.00 C ATOM 406 C PRO A 6 81.789 -0.494 -3.553 1.00 0.00 C ATOM 407 O PRO A 6 81.117 -0.252 -2.550 1.00 0.00 O ATOM 408 CB PRO A 6 81.584 0.835 -5.676 1.00 0.00 C ATOM 409 CG PRO A 6 82.599 1.207 -6.698 1.00 0.00 C ATOM 410 CD PRO A 6 83.850 0.469 -6.319 1.00 0.00 C ATOM 0 HA PRO A 6 82.365 1.512 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.059 -0.079 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 6 80.830 1.615 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.268 0.927 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.768 2.284 -6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.899 -0.511 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.745 1.013 -6.619 1.00 0.00 H new ATOM 418 N ALA A 7 82.046 -1.735 -3.963 1.00 0.00 N ATOM 419 CA ALA A 7 81.530 -2.894 -3.238 1.00 0.00 C ATOM 420 C ALA A 7 82.144 -2.976 -1.846 1.00 0.00 C ATOM 421 O ALA A 7 81.492 -3.409 -0.891 1.00 0.00 O ATOM 422 CB ALA A 7 81.792 -4.175 -4.010 1.00 0.00 C ATOM 0 H ALA A 7 82.604 -1.963 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 7 80.452 -2.773 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.399 -5.024 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.300 -4.122 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.865 -4.300 -4.153 1.00 0.00 H new ATOM 428 N ALA A 8 83.397 -2.551 -1.734 1.00 0.00 N ATOM 429 CA ALA A 8 84.072 -2.501 -0.448 1.00 0.00 C ATOM 430 C ALA A 8 83.496 -1.375 0.399 1.00 0.00 C ATOM 431 O ALA A 8 83.223 -1.556 1.584 1.00 0.00 O ATOM 432 CB ALA A 8 85.572 -2.321 -0.637 1.00 0.00 C ATOM 0 H ALA A 8 83.965 -2.236 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 8 83.909 -3.445 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.060 -2.286 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.969 -3.158 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.762 -1.390 -1.172 1.00 0.00 H new ATOM 438 N ALA A 9 83.296 -0.219 -0.231 1.00 0.00 N ATOM 439 CA ALA A 9 82.709 0.939 0.436 1.00 0.00 C ATOM 440 C ALA A 9 81.340 0.600 1.003 1.00 0.00 C ATOM 441 O ALA A 9 81.001 0.992 2.121 1.00 0.00 O ATOM 442 CB ALA A 9 82.593 2.105 -0.534 1.00 0.00 C ATOM 0 H ALA A 9 83.534 -0.060 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 9 83.364 1.224 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.154 2.961 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.584 2.372 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 9 81.959 1.819 -1.373 1.00 0.00 H new ATOM 448 N GLU A 10 80.564 -0.139 0.220 1.00 0.00 N ATOM 449 CA GLU A 10 79.242 -0.591 0.630 1.00 0.00 C ATOM 450 C GLU A 10 79.319 -1.366 1.944 1.00 0.00 C ATOM 451 O GLU A 10 78.513 -1.150 2.851 1.00 0.00 O ATOM 452 CB GLU A 10 78.639 -1.470 -0.468 1.00 0.00 C ATOM 453 CG GLU A 10 77.234 -1.960 -0.169 1.00 0.00 C ATOM 454 CD GLU A 10 76.711 -2.891 -1.242 1.00 0.00 C ATOM 455 OE1 GLU A 10 77.021 -4.100 -1.187 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.990 -2.423 -2.141 1.00 0.00 O ATOM 0 H GLU A 10 80.834 -0.441 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 10 78.605 0.280 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.625 -0.908 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 10 79.287 -2.332 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.228 -2.476 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.565 -1.104 -0.076 1.00 0.00 H new ATOM 463 N GLN A 11 80.308 -2.248 2.053 1.00 0.00 N ATOM 464 CA GLN A 11 80.477 -3.062 3.250 1.00 0.00 C ATOM 465 C GLN A 11 80.923 -2.198 4.430 1.00 0.00 C ATOM 466 O GLN A 11 80.483 -2.403 5.560 1.00 0.00 O ATOM 467 CB GLN A 11 81.495 -4.177 3.006 1.00 0.00 C ATOM 468 CG GLN A 11 81.604 -5.160 4.163 1.00 0.00 C ATOM 469 CD GLN A 11 80.358 -6.008 4.330 1.00 0.00 C ATOM 470 OE1 GLN A 11 79.681 -6.336 3.356 1.00 0.00 O ATOM 471 NE2 GLN A 11 80.042 -6.361 5.565 1.00 0.00 N ATOM 0 H GLN A 11 81.004 -2.417 1.327 1.00 0.00 H new ATOM 0 HA GLN A 11 79.514 -3.514 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.218 -4.720 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.473 -3.732 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.463 -5.811 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.790 -4.610 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.630 -6.068 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 11 79.210 -6.926 5.737 1.00 0.00 H new ATOM 480 N VAL A 12 81.795 -1.233 4.158 1.00 0.00 N ATOM 481 CA VAL A 12 82.274 -0.322 5.193 1.00 0.00 C ATOM 482 C VAL A 12 81.111 0.488 5.765 1.00 0.00 C ATOM 483 O VAL A 12 80.965 0.607 6.984 1.00 0.00 O ATOM 484 CB VAL A 12 83.360 0.640 4.656 1.00 0.00 C ATOM 485 CG1 VAL A 12 83.861 1.565 5.757 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.521 -0.142 4.057 1.00 0.00 C ATOM 0 H VAL A 12 82.184 -1.061 3.231 1.00 0.00 H new ATOM 0 HA VAL A 12 82.720 -0.931 5.979 1.00 0.00 H new ATOM 0 HB VAL A 12 82.910 1.251 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 12 84.624 2.231 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.030 2.156 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.289 0.971 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.274 0.553 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.963 -0.781 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.158 -0.759 3.235 1.00 0.00 H new ATOM 496 N LEU A 13 80.273 1.022 4.880 1.00 0.00 N ATOM 497 CA LEU A 13 79.089 1.764 5.302 1.00 0.00 C ATOM 498 C LEU A 13 78.123 0.859 6.055 1.00 0.00 C ATOM 499 O LEU A 13 77.489 1.287 7.016 1.00 0.00 O ATOM 500 CB LEU A 13 78.375 2.404 4.108 1.00 0.00 C ATOM 501 CG LEU A 13 78.780 3.846 3.793 1.00 0.00 C ATOM 502 CD1 LEU A 13 80.209 3.915 3.281 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.816 4.455 2.789 1.00 0.00 C ATOM 0 H LEU A 13 80.392 0.955 3.869 1.00 0.00 H new ATOM 0 HA LEU A 13 79.425 2.558 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 78.561 1.792 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.301 2.379 4.293 1.00 0.00 H new ATOM 0 HG LEU A 13 78.732 4.424 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 80.469 4.951 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 80.886 3.521 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 80.298 3.322 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 13 78.115 5.481 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.832 3.871 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.808 4.451 3.204 1.00 0.00 H new ATOM 515 N LYS A 14 78.019 -0.389 5.619 1.00 0.00 N ATOM 516 CA LYS A 14 77.166 -1.362 6.286 1.00 0.00 C ATOM 517 C LYS A 14 77.642 -1.572 7.722 1.00 0.00 C ATOM 518 O LYS A 14 76.845 -1.572 8.662 1.00 0.00 O ATOM 519 CB LYS A 14 77.183 -2.692 5.527 1.00 0.00 C ATOM 520 CG LYS A 14 76.049 -3.632 5.904 1.00 0.00 C ATOM 521 CD LYS A 14 76.215 -4.994 5.249 1.00 0.00 C ATOM 522 CE LYS A 14 74.952 -5.834 5.364 1.00 0.00 C ATOM 523 NZ LYS A 14 74.464 -5.938 6.766 1.00 0.00 N ATOM 0 H LYS A 14 78.516 -0.751 4.805 1.00 0.00 H new ATOM 0 HA LYS A 14 76.144 -0.982 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.133 -2.489 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.133 -3.193 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.017 -3.749 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.097 -3.195 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.470 -4.863 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.047 -5.522 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.171 -5.397 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.147 -6.833 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.686 -6.626 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.241 -6.252 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.124 -5.008 7.085 1.00 0.00 H new ATOM 537 N ALA A 15 78.955 -1.714 7.880 1.00 0.00 N ATOM 538 CA ALA A 15 79.564 -1.900 9.193 1.00 0.00 C ATOM 539 C ALA A 15 79.350 -0.675 10.078 1.00 0.00 C ATOM 540 O ALA A 15 79.114 -0.796 11.279 1.00 0.00 O ATOM 541 CB ALA A 15 81.049 -2.197 9.047 1.00 0.00 C ATOM 0 H ALA A 15 79.622 -1.704 7.108 1.00 0.00 H new ATOM 0 HA ALA A 15 79.080 -2.750 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.491 -2.334 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.182 -3.106 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.539 -1.364 8.542 1.00 0.00 H new ATOM 547 N ALA A 16 79.431 0.505 9.480 1.00 0.00 N ATOM 548 CA ALA A 16 79.194 1.746 10.207 1.00 0.00 C ATOM 549 C ALA A 16 77.715 1.891 10.551 1.00 0.00 C ATOM 550 O ALA A 16 77.352 2.496 11.560 1.00 0.00 O ATOM 551 CB ALA A 16 79.671 2.939 9.394 1.00 0.00 C ATOM 0 H ALA A 16 79.659 0.630 8.494 1.00 0.00 H new ATOM 0 HA ALA A 16 79.762 1.713 11.137 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.486 3.857 9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.739 2.842 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.130 2.974 8.448 1.00 0.00 H new ATOM 557 N LYS A 17 76.868 1.315 9.710 1.00 0.00 N ATOM 558 CA LYS A 17 75.427 1.376 9.902 1.00 0.00 C ATOM 559 C LYS A 17 74.985 0.397 10.990 1.00 0.00 C ATOM 560 O LYS A 17 73.881 0.505 11.523 1.00 0.00 O ATOM 561 CB LYS A 17 74.716 1.075 8.583 1.00 0.00 C ATOM 562 CG LYS A 17 73.233 1.399 8.595 1.00 0.00 C ATOM 563 CD LYS A 17 72.613 1.205 7.224 1.00 0.00 C ATOM 564 CE LYS A 17 71.138 1.570 7.228 1.00 0.00 C ATOM 565 NZ LYS A 17 70.339 0.660 8.088 1.00 0.00 N ATOM 0 H LYS A 17 77.158 0.796 8.881 1.00 0.00 H new ATOM 0 HA LYS A 17 75.157 2.381 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.195 1.643 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.845 0.019 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.726 0.761 9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.087 2.429 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.140 1.820 6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.732 0.167 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.020 2.595 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.754 1.535 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.326 0.835 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.561 -0.327 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.570 0.834 9.087 1.00 0.00 H new ATOM 579 N GLN A 18 75.857 -0.556 11.311 1.00 0.00 N ATOM 580 CA GLN A 18 75.607 -1.483 12.412 1.00 0.00 C ATOM 581 C GLN A 18 75.467 -0.718 13.726 1.00 0.00 C ATOM 582 O GLN A 18 74.595 -1.017 14.540 1.00 0.00 O ATOM 583 CB GLN A 18 76.736 -2.508 12.524 1.00 0.00 C ATOM 584 CG GLN A 18 76.921 -3.355 11.276 1.00 0.00 C ATOM 585 CD GLN A 18 78.098 -4.307 11.386 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.070 -4.034 12.094 1.00 0.00 O ATOM 587 NE2 GLN A 18 78.031 -5.419 10.668 1.00 0.00 N ATOM 0 H GLN A 18 76.741 -0.706 10.825 1.00 0.00 H new ATOM 0 HA GLN A 18 74.676 -2.012 12.207 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.668 -1.986 12.739 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.536 -3.164 13.371 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.012 -3.927 11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.066 -2.701 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 77.208 -5.607 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.802 -6.086 10.688 1.00 0.00 H new ATOM 596 N GLY A 19 76.333 0.272 13.926 1.00 0.00 N ATOM 597 CA GLY A 19 76.216 1.127 15.089 1.00 0.00 C ATOM 598 C GLY A 19 77.524 1.324 15.825 1.00 0.00 C ATOM 599 O GLY A 19 77.935 2.460 16.072 1.00 0.00 O ATOM 0 H GLY A 19 77.110 0.495 13.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.832 2.099 14.779 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.484 0.699 15.773 1.00 0.00 H new ATOM 603 N GLY A 20 78.178 0.223 16.168 1.00 0.00 N ATOM 604 CA GLY A 20 79.393 0.287 16.963 1.00 0.00 C ATOM 605 C GLY A 20 80.503 1.073 16.292 1.00 0.00 C ATOM 606 O GLY A 20 81.017 2.038 16.855 1.00 0.00 O ATOM 0 H GLY A 20 77.888 -0.720 15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.166 0.742 17.927 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.743 -0.726 17.163 1.00 0.00 H new ATOM 610 N THR A 21 80.856 0.678 15.079 1.00 0.00 N ATOM 611 CA THR A 21 81.950 1.313 14.360 1.00 0.00 C ATOM 612 C THR A 21 81.476 2.524 13.556 1.00 0.00 C ATOM 613 O THR A 21 82.057 2.867 12.529 1.00 0.00 O ATOM 614 CB THR A 21 82.641 0.303 13.427 1.00 0.00 C ATOM 615 OG1 THR A 21 81.663 -0.367 12.620 1.00 0.00 O ATOM 616 CG2 THR A 21 83.426 -0.721 14.234 1.00 0.00 C ATOM 0 H THR A 21 80.400 -0.080 14.571 1.00 0.00 H new ATOM 0 HA THR A 21 82.665 1.664 15.104 1.00 0.00 H new ATOM 0 HB THR A 21 83.332 0.846 12.782 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.110 -1.007 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.907 -1.426 13.557 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.185 -0.212 14.827 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.748 -1.259 14.897 1.00 0.00 H new ATOM 624 N GLU A 22 80.427 3.179 14.040 1.00 0.00 N ATOM 625 CA GLU A 22 79.915 4.378 13.392 1.00 0.00 C ATOM 626 C GLU A 22 80.738 5.592 13.807 1.00 0.00 C ATOM 627 O GLU A 22 81.115 6.415 12.975 1.00 0.00 O ATOM 628 CB GLU A 22 78.442 4.592 13.742 1.00 0.00 C ATOM 629 CG GLU A 22 77.864 5.879 13.181 1.00 0.00 C ATOM 630 CD GLU A 22 76.414 6.072 13.557 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.139 6.386 14.732 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.543 5.912 12.675 1.00 0.00 O ATOM 0 H GLU A 22 79.916 2.900 14.877 1.00 0.00 H new ATOM 0 HA GLU A 22 79.997 4.249 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.862 3.749 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.332 4.597 14.826 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.447 6.725 13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.957 5.873 12.095 1.00 0.00 H new ATOM 639 N GLY A 23 81.028 5.689 15.100 1.00 0.00 N ATOM 640 CA GLY A 23 81.843 6.778 15.599 1.00 0.00 C ATOM 641 C GLY A 23 83.321 6.457 15.506 1.00 0.00 C ATOM 642 O GLY A 23 84.102 6.812 16.389 1.00 0.00 O ATOM 0 H GLY A 23 80.712 5.031 15.812 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.630 7.683 15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.580 6.985 16.636 1.00 0.00 H new ATOM 646 N MET A 24 83.696 5.779 14.434 1.00 0.00 N ATOM 647 CA MET A 24 85.067 5.347 14.227 1.00 0.00 C ATOM 648 C MET A 24 85.487 5.672 12.801 1.00 0.00 C ATOM 649 O MET A 24 84.656 6.063 11.982 1.00 0.00 O ATOM 650 CB MET A 24 85.194 3.838 14.478 1.00 0.00 C ATOM 651 CG MET A 24 84.761 3.401 15.873 1.00 0.00 C ATOM 652 SD MET A 24 85.873 3.979 17.173 1.00 0.00 S ATOM 653 CE MET A 24 87.338 3.012 16.813 1.00 0.00 C ATOM 0 H MET A 24 83.059 5.513 13.683 1.00 0.00 H new ATOM 0 HA MET A 24 85.717 5.871 14.928 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.594 3.306 13.740 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.231 3.540 14.321 1.00 0.00 H new ATOM 0 HG2 MET A 24 83.756 3.776 16.069 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.707 2.313 15.906 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.473 2.254 17.585 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.224 2.526 15.844 1.00 0.00 H new ATOM 0 HE3 MET A 24 88.209 3.666 16.791 1.00 0.00 H new ATOM 663 N CYS A 25 86.763 5.515 12.506 1.00 0.00 N ATOM 664 CA CYS A 25 87.264 5.755 11.165 1.00 0.00 C ATOM 665 C CYS A 25 88.102 4.567 10.715 1.00 0.00 C ATOM 666 O CYS A 25 88.622 3.820 11.545 1.00 0.00 O ATOM 667 CB CYS A 25 88.091 7.042 11.130 1.00 0.00 C ATOM 668 SG CYS A 25 88.594 7.566 9.472 1.00 0.00 S ATOM 0 H CYS A 25 87.473 5.222 13.177 1.00 0.00 H new ATOM 0 HA CYS A 25 86.423 5.873 10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.513 7.843 11.591 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.984 6.902 11.740 1.00 0.00 H new ATOM 0 HG CYS A 25 88.694 8.862 9.438 1.00 0.00 H new ATOM 674 N LEU A 26 88.229 4.382 9.413 1.00 0.00 N ATOM 675 CA LEU A 26 88.966 3.248 8.888 1.00 0.00 C ATOM 676 C LEU A 26 90.452 3.569 8.817 1.00 0.00 C ATOM 677 O LEU A 26 90.867 4.480 8.101 1.00 0.00 O ATOM 678 CB LEU A 26 88.445 2.856 7.504 1.00 0.00 C ATOM 679 CG LEU A 26 88.918 1.488 7.008 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.413 0.388 7.928 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.455 1.241 5.582 1.00 0.00 C ATOM 0 H LEU A 26 87.833 4.999 8.704 1.00 0.00 H new ATOM 0 HA LEU A 26 88.820 2.405 9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.355 2.863 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.755 3.615 6.786 1.00 0.00 H new ATOM 0 HG LEU A 26 90.008 1.479 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.758 -0.579 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.795 0.552 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.323 0.401 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.803 0.263 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.366 1.271 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.863 2.012 4.928 1.00 0.00 H new ATOM 693 N ARG A 27 91.249 2.825 9.567 1.00 0.00 N ATOM 694 CA ARG A 27 92.685 3.027 9.576 1.00 0.00 C ATOM 695 C ARG A 27 93.388 1.820 8.978 1.00 0.00 C ATOM 696 O ARG A 27 93.040 0.675 9.274 1.00 0.00 O ATOM 697 CB ARG A 27 93.192 3.287 10.999 1.00 0.00 C ATOM 698 CG ARG A 27 94.701 3.473 11.082 1.00 0.00 C ATOM 699 CD ARG A 27 95.151 3.897 12.473 1.00 0.00 C ATOM 700 NE ARG A 27 94.583 5.188 12.874 1.00 0.00 N ATOM 701 CZ ARG A 27 94.961 6.362 12.364 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.898 6.418 11.427 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.398 7.487 12.788 1.00 0.00 N ATOM 0 H ARG A 27 90.923 2.075 10.177 1.00 0.00 H new ATOM 0 HA ARG A 27 92.911 3.904 8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.702 4.177 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.901 2.453 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.196 2.541 10.810 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.014 4.224 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 94.859 3.134 13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 27 96.239 3.958 12.497 1.00 0.00 H new ATOM 0 HE ARG A 27 93.854 5.189 13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.335 5.560 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.181 7.319 11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.674 7.456 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.689 8.382 12.396 1.00 0.00 H new ATOM 717 N LEU A 28 94.361 2.082 8.127 1.00 0.00 N ATOM 718 CA LEU A 28 95.129 1.022 7.500 1.00 0.00 C ATOM 719 C LEU A 28 96.567 1.060 7.992 1.00 0.00 C ATOM 720 O LEU A 28 97.121 2.135 8.229 1.00 0.00 O ATOM 721 CB LEU A 28 95.099 1.168 5.980 1.00 0.00 C ATOM 722 CG LEU A 28 93.708 1.150 5.347 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.810 1.391 3.853 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.010 -0.173 5.624 1.00 0.00 C ATOM 0 H LEU A 28 94.640 3.024 7.853 1.00 0.00 H new ATOM 0 HA LEU A 28 94.682 0.065 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.589 2.104 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.689 0.362 5.543 1.00 0.00 H new ATOM 0 HG LEU A 28 93.115 1.949 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.813 1.376 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.272 2.361 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.419 0.609 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.021 -0.166 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.598 -0.989 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.909 -0.313 6.700 1.00 0.00 H new ATOM 736 N ALA A 29 97.163 -0.108 8.155 1.00 0.00 N ATOM 737 CA ALA A 29 98.547 -0.203 8.585 1.00 0.00 C ATOM 738 C ALA A 29 99.264 -1.300 7.818 1.00 0.00 C ATOM 739 O ALA A 29 98.669 -2.320 7.477 1.00 0.00 O ATOM 740 CB ALA A 29 98.623 -0.459 10.082 1.00 0.00 C ATOM 0 H ALA A 29 96.708 -1.007 7.995 1.00 0.00 H new ATOM 0 HA ALA A 29 99.042 0.745 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.667 -0.527 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.142 0.360 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.114 -1.394 10.318 1.00 0.00 H new ATOM 746 N ALA A 30 100.535 -1.085 7.538 1.00 0.00 N ATOM 747 CA ALA A 30 101.328 -2.057 6.808 1.00 0.00 C ATOM 748 C ALA A 30 102.223 -2.838 7.757 1.00 0.00 C ATOM 749 O ALA A 30 103.214 -2.313 8.265 1.00 0.00 O ATOM 750 CB ALA A 30 102.154 -1.369 5.733 1.00 0.00 C ATOM 0 H ALA A 30 101.043 -0.242 7.806 1.00 0.00 H new ATOM 0 HA ALA A 30 100.651 -2.760 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.743 -2.112 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.490 -0.858 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.822 -0.643 6.196 1.00 0.00 H new ATOM 756 N GLY A 31 101.859 -4.085 8.002 1.00 0.00 N ATOM 757 CA GLY A 31 102.631 -4.927 8.886 1.00 0.00 C ATOM 758 C GLY A 31 103.621 -5.775 8.122 1.00 0.00 C ATOM 759 O GLY A 31 103.238 -6.686 7.387 1.00 0.00 O ATOM 0 H GLY A 31 101.035 -4.532 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.163 -4.307 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 31 101.960 -5.572 9.453 1.00 0.00 H new ATOM 763 N ARG A 32 104.895 -5.466 8.279 1.00 0.00 N ATOM 764 CA ARG A 32 105.944 -6.173 7.565 1.00 0.00 C ATOM 765 C ARG A 32 106.191 -7.543 8.185 1.00 0.00 C ATOM 766 O ARG A 32 106.614 -7.646 9.338 1.00 0.00 O ATOM 767 CB ARG A 32 107.238 -5.363 7.584 1.00 0.00 C ATOM 768 CG ARG A 32 107.101 -3.967 7.006 1.00 0.00 C ATOM 769 CD ARG A 32 108.403 -3.203 7.137 1.00 0.00 C ATOM 770 NE ARG A 32 108.301 -1.830 6.646 1.00 0.00 N ATOM 771 CZ ARG A 32 109.331 -0.987 6.611 1.00 0.00 C ATOM 772 NH1 ARG A 32 110.518 -1.369 7.071 1.00 0.00 N ATOM 773 NH2 ARG A 32 109.174 0.240 6.130 1.00 0.00 N ATOM 0 H ARG A 32 105.230 -4.727 8.897 1.00 0.00 H new ATOM 0 HA ARG A 32 105.618 -6.307 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.591 -5.286 8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.001 -5.904 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.814 -4.029 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.305 -3.431 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.708 -3.189 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.184 -3.726 6.584 1.00 0.00 H new ATOM 0 HE ARG A 32 107.395 -1.501 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 32 110.640 -2.308 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 32 111.307 -0.723 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 32 108.262 0.540 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 32 109.965 0.883 6.105 1.00 0.00 H new ATOM 787 N ASN A 33 105.905 -8.583 7.425 1.00 0.00 N ATOM 788 CA ASN A 33 106.183 -9.944 7.850 1.00 0.00 C ATOM 789 C ASN A 33 107.415 -10.461 7.120 1.00 0.00 C ATOM 790 O ASN A 33 107.340 -10.841 5.953 1.00 0.00 O ATOM 791 CB ASN A 33 104.971 -10.847 7.590 1.00 0.00 C ATOM 792 CG ASN A 33 103.813 -10.533 8.520 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.014 -10.172 9.681 1.00 0.00 O ATOM 794 ND2 ASN A 33 102.593 -10.646 8.018 1.00 0.00 N ATOM 0 H ASN A 33 105.477 -8.511 6.502 1.00 0.00 H new ATOM 0 HA ASN A 33 106.379 -9.954 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.647 -10.729 6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.263 -11.890 7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 33 101.781 -10.431 8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 33 102.465 -10.948 7.052 1.00 0.00 H new ATOM 801 N PRO A 34 108.571 -10.470 7.804 1.00 0.00 N ATOM 802 CA PRO A 34 109.874 -10.782 7.190 1.00 0.00 C ATOM 803 C PRO A 34 109.947 -12.176 6.565 1.00 0.00 C ATOM 804 O PRO A 34 110.781 -12.431 5.697 1.00 0.00 O ATOM 805 CB PRO A 34 110.858 -10.675 8.361 1.00 0.00 C ATOM 806 CG PRO A 34 110.161 -9.843 9.380 1.00 0.00 C ATOM 807 CD PRO A 34 108.705 -10.164 9.238 1.00 0.00 C ATOM 0 HA PRO A 34 110.083 -10.105 6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 34 111.106 -11.659 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 34 111.794 -10.213 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 34 110.517 -10.074 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 34 110.346 -8.782 9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 34 108.416 -11.011 9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 34 108.076 -9.324 9.532 1.00 0.00 H new ATOM 815 N ASP A 35 109.076 -13.075 6.999 1.00 0.00 N ATOM 816 CA ASP A 35 109.092 -14.445 6.495 1.00 0.00 C ATOM 817 C ASP A 35 108.208 -14.579 5.257 1.00 0.00 C ATOM 818 O ASP A 35 108.267 -15.577 4.538 1.00 0.00 O ATOM 819 CB ASP A 35 108.630 -15.415 7.585 1.00 0.00 C ATOM 820 CG ASP A 35 108.857 -16.866 7.213 1.00 0.00 C ATOM 821 OD1 ASP A 35 110.025 -17.316 7.244 1.00 0.00 O ATOM 822 OD2 ASP A 35 107.875 -17.572 6.906 1.00 0.00 O ATOM 0 H ASP A 35 108.354 -12.885 7.694 1.00 0.00 H new ATOM 0 HA ASP A 35 110.115 -14.694 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 35 109.162 -15.194 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 35 107.570 -15.256 7.781 1.00 0.00 H new ATOM 827 N GLY A 36 107.407 -13.554 5.000 1.00 0.00 N ATOM 828 CA GLY A 36 106.493 -13.594 3.878 1.00 0.00 C ATOM 829 C GLY A 36 106.530 -12.322 3.059 1.00 0.00 C ATOM 830 O GLY A 36 107.254 -12.234 2.065 1.00 0.00 O ATOM 0 H GLY A 36 107.374 -12.695 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 36 106.742 -14.442 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 36 105.479 -13.758 4.244 1.00 0.00 H new ATOM 834 N SER A 37 105.757 -11.333 3.480 1.00 0.00 N ATOM 835 CA SER A 37 105.669 -10.067 2.773 1.00 0.00 C ATOM 836 C SER A 37 105.045 -8.999 3.670 1.00 0.00 C ATOM 837 O SER A 37 104.814 -9.237 4.857 1.00 0.00 O ATOM 838 CB SER A 37 104.844 -10.254 1.496 1.00 0.00 C ATOM 839 OG SER A 37 103.597 -10.864 1.782 1.00 0.00 O ATOM 0 H SER A 37 105.176 -11.385 4.317 1.00 0.00 H new ATOM 0 HA SER A 37 106.671 -9.734 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.679 -9.287 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 37 105.399 -10.868 0.787 1.00 0.00 H new ATOM 0 HG SER A 37 103.087 -10.971 0.952 1.00 0.00 H new ATOM 845 N ILE A 38 104.780 -7.824 3.113 1.00 0.00 N ATOM 846 CA ILE A 38 104.167 -6.745 3.877 1.00 0.00 C ATOM 847 C ILE A 38 102.644 -6.858 3.830 1.00 0.00 C ATOM 848 O ILE A 38 102.027 -6.611 2.796 1.00 0.00 O ATOM 849 CB ILE A 38 104.599 -5.362 3.342 1.00 0.00 C ATOM 850 CG1 ILE A 38 106.127 -5.258 3.316 1.00 0.00 C ATOM 851 CG2 ILE A 38 104.006 -4.252 4.198 1.00 0.00 C ATOM 852 CD1 ILE A 38 106.646 -3.963 2.720 1.00 0.00 C ATOM 0 H ILE A 38 104.979 -7.594 2.139 1.00 0.00 H new ATOM 0 HA ILE A 38 104.506 -6.838 4.909 1.00 0.00 H new ATOM 0 HB ILE A 38 104.225 -5.250 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 38 106.505 -5.355 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 38 106.529 -6.095 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 38 104.320 -3.284 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.918 -4.317 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 38 104.354 -4.359 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 38 107.736 -3.966 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 38 106.300 -3.872 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 38 106.276 -3.120 3.303 1.00 0.00 H new ATOM 864 N ASP A 39 102.042 -7.227 4.949 1.00 0.00 N ATOM 865 CA ASP A 39 100.600 -7.431 5.008 1.00 0.00 C ATOM 866 C ASP A 39 99.883 -6.148 5.389 1.00 0.00 C ATOM 867 O ASP A 39 100.224 -5.496 6.373 1.00 0.00 O ATOM 868 CB ASP A 39 100.244 -8.538 5.999 1.00 0.00 C ATOM 869 CG ASP A 39 100.327 -9.917 5.377 1.00 0.00 C ATOM 870 OD1 ASP A 39 101.412 -10.529 5.400 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.296 -10.399 4.859 1.00 0.00 O ATOM 0 H ASP A 39 102.528 -7.392 5.830 1.00 0.00 H new ATOM 0 HA ASP A 39 100.271 -7.732 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 100.918 -8.487 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 99.235 -8.373 6.377 1.00 0.00 H new ATOM 876 N TYR A 40 98.886 -5.789 4.595 1.00 0.00 N ATOM 877 CA TYR A 40 98.140 -4.561 4.811 1.00 0.00 C ATOM 878 C TYR A 40 96.919 -4.848 5.676 1.00 0.00 C ATOM 879 O TYR A 40 96.036 -5.613 5.286 1.00 0.00 O ATOM 880 CB TYR A 40 97.725 -3.962 3.464 1.00 0.00 C ATOM 881 CG TYR A 40 98.833 -4.005 2.428 1.00 0.00 C ATOM 882 CD1 TYR A 40 100.006 -3.284 2.604 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.711 -4.789 1.288 1.00 0.00 C ATOM 884 CE1 TYR A 40 101.023 -3.336 1.671 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.725 -4.850 0.353 1.00 0.00 C ATOM 886 CZ TYR A 40 100.879 -4.124 0.549 1.00 0.00 C ATOM 887 OH TYR A 40 101.893 -4.187 -0.379 1.00 0.00 O ATOM 0 H TYR A 40 98.574 -6.335 3.791 1.00 0.00 H new ATOM 0 HA TYR A 40 98.769 -3.838 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.859 -4.503 3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 40 97.415 -2.928 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 40 100.125 -2.672 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.808 -5.360 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 40 101.926 -2.763 1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.614 -5.464 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 40 102.741 -4.372 0.075 1.00 0.00 H new ATOM 897 N ARG A 41 96.885 -4.246 6.856 1.00 0.00 N ATOM 898 CA ARG A 41 95.839 -4.527 7.831 1.00 0.00 C ATOM 899 C ARG A 41 94.758 -3.456 7.791 1.00 0.00 C ATOM 900 O ARG A 41 95.058 -2.261 7.766 1.00 0.00 O ATOM 901 CB ARG A 41 96.428 -4.582 9.244 1.00 0.00 C ATOM 902 CG ARG A 41 97.749 -5.325 9.343 1.00 0.00 C ATOM 903 CD ARG A 41 98.250 -5.370 10.777 1.00 0.00 C ATOM 904 NE ARG A 41 98.133 -4.072 11.447 1.00 0.00 N ATOM 905 CZ ARG A 41 99.016 -3.596 12.325 1.00 0.00 C ATOM 906 NH1 ARG A 41 100.139 -4.253 12.570 1.00 0.00 N ATOM 907 NH2 ARG A 41 98.780 -2.446 12.938 1.00 0.00 N ATOM 0 H ARG A 41 97.572 -3.557 7.163 1.00 0.00 H new ATOM 0 HA ARG A 41 95.399 -5.491 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.570 -3.564 9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.706 -5.058 9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 41 97.627 -6.340 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 41 98.491 -4.837 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.684 -6.117 11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 41 99.292 -5.688 10.786 1.00 0.00 H new ATOM 0 HE ARG A 41 97.322 -3.494 11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 41 100.333 -5.129 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 41 100.810 -3.883 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.925 -1.927 12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.453 -2.079 13.610 1.00 0.00 H new ATOM 921 N MET A 42 93.507 -3.891 7.781 1.00 0.00 N ATOM 922 CA MET A 42 92.373 -2.982 7.856 1.00 0.00 C ATOM 923 C MET A 42 91.726 -3.068 9.235 1.00 0.00 C ATOM 924 O MET A 42 91.467 -4.163 9.738 1.00 0.00 O ATOM 925 CB MET A 42 91.338 -3.320 6.777 1.00 0.00 C ATOM 926 CG MET A 42 90.065 -2.493 6.877 1.00 0.00 C ATOM 927 SD MET A 42 88.788 -3.015 5.717 1.00 0.00 S ATOM 928 CE MET A 42 89.564 -2.591 4.164 1.00 0.00 C ATOM 0 H MET A 42 93.250 -4.876 7.721 1.00 0.00 H new ATOM 0 HA MET A 42 92.733 -1.967 7.689 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.785 -3.167 5.795 1.00 0.00 H new ATOM 0 HB3 MET A 42 91.082 -4.377 6.849 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.674 -2.560 7.892 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.305 -1.445 6.696 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.878 -2.803 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.816 -1.531 4.161 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.472 -3.180 4.038 1.00 0.00 H new ATOM 938 N GLY A 43 91.478 -1.921 9.851 1.00 0.00 N ATOM 939 CA GLY A 43 90.831 -1.910 11.146 1.00 0.00 C ATOM 940 C GLY A 43 90.114 -0.606 11.418 1.00 0.00 C ATOM 941 O GLY A 43 90.439 0.424 10.827 1.00 0.00 O ATOM 0 H GLY A 43 91.713 -1.001 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 90.118 -2.733 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.576 -2.082 11.923 1.00 0.00 H new ATOM 945 N PHE A 44 89.128 -0.649 12.301 1.00 0.00 N ATOM 946 CA PHE A 44 88.408 0.552 12.692 1.00 0.00 C ATOM 947 C PHE A 44 89.113 1.214 13.864 1.00 0.00 C ATOM 948 O PHE A 44 89.203 0.644 14.952 1.00 0.00 O ATOM 949 CB PHE A 44 86.958 0.223 13.050 1.00 0.00 C ATOM 950 CG PHE A 44 86.156 -0.289 11.886 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.529 0.593 11.020 1.00 0.00 C ATOM 952 CD2 PHE A 44 86.030 -1.651 11.657 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.791 0.127 9.947 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.293 -2.122 10.587 1.00 0.00 C ATOM 955 CZ PHE A 44 84.672 -1.233 9.731 1.00 0.00 C ATOM 0 H PHE A 44 88.809 -1.502 12.760 1.00 0.00 H new ATOM 0 HA PHE A 44 88.395 1.244 11.850 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.948 -0.523 13.844 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.478 1.117 13.447 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.618 1.657 11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.513 -2.351 12.322 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.308 0.825 9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 44 85.202 -3.185 10.420 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.095 -1.600 8.895 1.00 0.00 H new ATOM 965 N ASP A 45 89.608 2.417 13.632 1.00 0.00 N ATOM 966 CA ASP A 45 90.424 3.119 14.609 1.00 0.00 C ATOM 967 C ASP A 45 89.886 4.538 14.800 1.00 0.00 C ATOM 968 O ASP A 45 88.757 4.835 14.400 1.00 0.00 O ATOM 969 CB ASP A 45 91.881 3.143 14.128 1.00 0.00 C ATOM 970 CG ASP A 45 92.887 3.348 15.246 1.00 0.00 C ATOM 971 OD1 ASP A 45 93.196 4.514 15.570 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.397 2.345 15.783 1.00 0.00 O ATOM 0 H ASP A 45 89.457 2.933 12.765 1.00 0.00 H new ATOM 0 HA ASP A 45 90.383 2.605 15.569 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.102 2.205 13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.999 3.940 13.394 1.00 0.00 H new ATOM 977 N ASP A 46 90.684 5.406 15.401 1.00 0.00 N ATOM 978 CA ASP A 46 90.250 6.763 15.703 1.00 0.00 C ATOM 979 C ASP A 46 90.644 7.734 14.595 1.00 0.00 C ATOM 980 O ASP A 46 91.757 7.676 14.062 1.00 0.00 O ATOM 981 CB ASP A 46 90.835 7.222 17.041 1.00 0.00 C ATOM 982 CG ASP A 46 90.471 8.654 17.372 1.00 0.00 C ATOM 983 OD1 ASP A 46 89.276 8.927 17.617 1.00 0.00 O ATOM 984 OD2 ASP A 46 91.377 9.513 17.390 1.00 0.00 O ATOM 0 H ASP A 46 91.639 5.195 15.691 1.00 0.00 H new ATOM 0 HA ASP A 46 89.162 6.757 15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 46 90.476 6.567 17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.920 7.124 17.012 1.00 0.00 H new ATOM 989 N LEU A 47 89.719 8.623 14.253 1.00 0.00 N ATOM 990 CA LEU A 47 89.946 9.616 13.209 1.00 0.00 C ATOM 991 C LEU A 47 90.798 10.762 13.748 1.00 0.00 C ATOM 992 O LEU A 47 90.548 11.281 14.835 1.00 0.00 O ATOM 993 CB LEU A 47 88.596 10.143 12.686 1.00 0.00 C ATOM 994 CG LEU A 47 88.641 10.961 11.383 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.267 10.977 10.731 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.103 12.390 11.640 1.00 0.00 C ATOM 0 H LEU A 47 88.798 8.676 14.687 1.00 0.00 H new ATOM 0 HA LEU A 47 90.482 9.149 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 47 87.933 9.292 12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.146 10.761 13.463 1.00 0.00 H new ATOM 0 HG LEU A 47 89.359 10.486 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 47 87.308 11.558 9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.961 9.956 10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 86.546 11.428 11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.124 12.940 10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 47 88.414 12.877 12.330 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.103 12.377 12.075 1.00 0.00 H new ATOM 1008 N THR A 48 91.809 11.142 12.989 1.00 0.00 N ATOM 1009 CA THR A 48 92.662 12.258 13.350 1.00 0.00 C ATOM 1010 C THR A 48 92.892 13.144 12.128 1.00 0.00 C ATOM 1011 O THR A 48 93.042 12.636 11.020 1.00 0.00 O ATOM 1012 CB THR A 48 94.007 11.752 13.905 1.00 0.00 C ATOM 1013 OG1 THR A 48 93.763 10.743 14.895 1.00 0.00 O ATOM 1014 CG2 THR A 48 94.810 12.887 14.525 1.00 0.00 C ATOM 0 H THR A 48 92.061 10.689 12.111 1.00 0.00 H new ATOM 0 HA THR A 48 92.170 12.842 14.128 1.00 0.00 H new ATOM 0 HB THR A 48 94.585 11.337 13.079 1.00 0.00 H new ATOM 0 HG1 THR A 48 94.617 10.418 15.249 1.00 0.00 H new ATOM 0 HG21 THR A 48 95.754 12.498 14.908 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.010 13.646 13.769 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.242 13.330 15.343 1.00 0.00 H new ATOM 1022 N GLU A 49 92.886 14.457 12.323 1.00 0.00 N ATOM 1023 CA GLU A 49 93.033 15.394 11.214 1.00 0.00 C ATOM 1024 C GLU A 49 94.485 15.552 10.791 1.00 0.00 C ATOM 1025 O GLU A 49 94.779 15.645 9.599 1.00 0.00 O ATOM 1026 CB GLU A 49 92.457 16.759 11.571 1.00 0.00 C ATOM 1027 CG GLU A 49 90.949 16.773 11.692 1.00 0.00 C ATOM 1028 CD GLU A 49 90.408 18.178 11.801 1.00 0.00 C ATOM 1029 OE1 GLU A 49 90.246 18.834 10.751 1.00 0.00 O ATOM 1030 OE2 GLU A 49 90.158 18.638 12.932 1.00 0.00 O ATOM 0 H GLU A 49 92.781 14.897 13.237 1.00 0.00 H new ATOM 0 HA GLU A 49 92.476 14.976 10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 92.891 17.091 12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 92.758 17.480 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 90.510 16.281 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 90.649 16.199 12.569 1.00 0.00 H new ATOM 1037 N ASP A 50 95.385 15.608 11.765 1.00 0.00 N ATOM 1038 CA ASP A 50 96.811 15.722 11.471 1.00 0.00 C ATOM 1039 C ASP A 50 97.297 14.457 10.785 1.00 0.00 C ATOM 1040 O ASP A 50 98.192 14.491 9.937 1.00 0.00 O ATOM 1041 CB ASP A 50 97.614 15.968 12.749 1.00 0.00 C ATOM 1042 CG ASP A 50 99.032 16.412 12.455 1.00 0.00 C ATOM 1043 OD1 ASP A 50 99.224 17.599 12.102 1.00 0.00 O ATOM 1044 OD2 ASP A 50 99.960 15.588 12.578 1.00 0.00 O ATOM 0 H ASP A 50 95.157 15.577 12.759 1.00 0.00 H new ATOM 0 HA ASP A 50 96.960 16.573 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.114 16.728 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.637 15.055 13.344 1.00 0.00 H new ATOM 1049 N ASP A 51 96.675 13.344 11.151 1.00 0.00 N ATOM 1050 CA ASP A 51 96.947 12.064 10.520 1.00 0.00 C ATOM 1051 C ASP A 51 96.426 12.110 9.088 1.00 0.00 C ATOM 1052 O ASP A 51 95.334 12.622 8.848 1.00 0.00 O ATOM 1053 CB ASP A 51 96.263 10.950 11.314 1.00 0.00 C ATOM 1054 CG ASP A 51 96.807 9.573 11.007 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.929 9.261 11.454 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.097 8.786 10.354 1.00 0.00 O ATOM 0 H ASP A 51 95.972 13.305 11.889 1.00 0.00 H new ATOM 0 HA ASP A 51 98.018 11.863 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.379 11.149 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.194 10.966 11.101 1.00 0.00 H new ATOM 1061 N ILE A 52 97.207 11.604 8.142 1.00 0.00 N ATOM 1062 CA ILE A 52 96.884 11.757 6.724 1.00 0.00 C ATOM 1063 C ILE A 52 95.590 11.030 6.365 1.00 0.00 C ATOM 1064 O ILE A 52 95.519 9.800 6.387 1.00 0.00 O ATOM 1065 CB ILE A 52 98.040 11.268 5.823 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.294 12.109 6.089 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.647 11.340 4.351 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.498 11.700 5.268 1.00 0.00 C ATOM 0 H ILE A 52 98.066 11.086 8.327 1.00 0.00 H new ATOM 0 HA ILE A 52 96.740 12.822 6.544 1.00 0.00 H new ATOM 0 HB ILE A 52 98.255 10.226 6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.067 13.155 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.548 12.039 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.476 10.991 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.775 10.710 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.409 12.371 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.342 12.343 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.754 10.664 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.266 11.798 4.208 1.00 0.00 H new ATOM 1080 N ARG A 53 94.562 11.807 6.042 1.00 0.00 N ATOM 1081 CA ARG A 53 93.261 11.246 5.722 1.00 0.00 C ATOM 1082 C ARG A 53 93.053 11.173 4.218 1.00 0.00 C ATOM 1083 O ARG A 53 93.538 12.017 3.463 1.00 0.00 O ATOM 1084 CB ARG A 53 92.128 12.070 6.342 1.00 0.00 C ATOM 1085 CG ARG A 53 92.362 12.459 7.790 1.00 0.00 C ATOM 1086 CD ARG A 53 91.066 12.850 8.484 1.00 0.00 C ATOM 1087 NE ARG A 53 90.182 13.643 7.628 1.00 0.00 N ATOM 1088 CZ ARG A 53 90.018 14.959 7.728 1.00 0.00 C ATOM 1089 NH1 ARG A 53 90.774 15.668 8.555 1.00 0.00 N ATOM 1090 NH2 ARG A 53 89.115 15.570 6.975 1.00 0.00 N ATOM 0 H ARG A 53 94.607 12.825 5.996 1.00 0.00 H new ATOM 0 HA ARG A 53 93.239 10.240 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 53 91.988 12.976 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.201 11.500 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.822 11.626 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.064 13.292 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.543 11.948 8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.298 13.418 9.385 1.00 0.00 H new ATOM 0 HE ARG A 53 89.656 13.152 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 53 91.486 15.204 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 53 90.643 16.677 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 53 88.548 15.031 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 53 88.987 16.579 7.050 1.00 0.00 H new ATOM 1104 N LEU A 54 92.330 10.153 3.800 1.00 0.00 N ATOM 1105 CA LEU A 54 91.951 9.980 2.411 1.00 0.00 C ATOM 1106 C LEU A 54 90.437 9.943 2.315 1.00 0.00 C ATOM 1107 O LEU A 54 89.758 9.752 3.320 1.00 0.00 O ATOM 1108 CB LEU A 54 92.536 8.683 1.855 1.00 0.00 C ATOM 1109 CG LEU A 54 94.060 8.579 1.906 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.511 7.209 1.438 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.695 9.671 1.056 1.00 0.00 C ATOM 0 H LEU A 54 91.987 9.417 4.417 1.00 0.00 H new ATOM 0 HA LEU A 54 92.341 10.812 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.112 7.846 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.215 8.574 0.819 1.00 0.00 H new ATOM 0 HG LEU A 54 94.384 8.715 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.599 7.150 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.081 6.444 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.178 7.047 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.780 9.583 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.367 9.565 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 54 94.393 10.648 1.434 1.00 0.00 H new ATOM 1123 N THR A 55 89.905 10.131 1.126 1.00 0.00 N ATOM 1124 CA THR A 55 88.468 10.065 0.928 1.00 0.00 C ATOM 1125 C THR A 55 88.153 9.481 -0.442 1.00 0.00 C ATOM 1126 O THR A 55 88.194 10.178 -1.454 1.00 0.00 O ATOM 1127 CB THR A 55 87.815 11.456 1.075 1.00 0.00 C ATOM 1128 OG1 THR A 55 88.200 12.037 2.330 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.296 11.362 1.006 1.00 0.00 C ATOM 0 H THR A 55 90.442 10.330 0.282 1.00 0.00 H new ATOM 0 HA THR A 55 88.053 9.416 1.699 1.00 0.00 H new ATOM 0 HB THR A 55 88.158 12.082 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.786 12.921 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.865 12.357 1.113 1.00 0.00 H new ATOM 0 HG22 THR A 55 86.001 10.940 0.046 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.934 10.722 1.811 1.00 0.00 H new ATOM 1137 N SER A 56 87.873 8.190 -0.471 1.00 0.00 N ATOM 1138 CA SER A 56 87.564 7.507 -1.712 1.00 0.00 C ATOM 1139 C SER A 56 86.060 7.520 -1.953 1.00 0.00 C ATOM 1140 O SER A 56 85.332 6.676 -1.424 1.00 0.00 O ATOM 1141 CB SER A 56 88.089 6.071 -1.666 1.00 0.00 C ATOM 1142 OG SER A 56 89.460 6.045 -1.295 1.00 0.00 O ATOM 0 H SER A 56 87.854 7.592 0.355 1.00 0.00 H new ATOM 0 HA SER A 56 88.052 8.027 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 56 87.504 5.488 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.963 5.602 -2.642 1.00 0.00 H new ATOM 0 HG SER A 56 89.775 5.117 -1.270 1.00 0.00 H new ATOM 1148 N GLU A 57 85.611 8.523 -2.714 1.00 0.00 N ATOM 1149 CA GLU A 57 84.198 8.708 -3.069 1.00 0.00 C ATOM 1150 C GLU A 57 83.357 9.151 -1.872 1.00 0.00 C ATOM 1151 O GLU A 57 82.635 10.143 -1.945 1.00 0.00 O ATOM 1152 CB GLU A 57 83.609 7.440 -3.703 1.00 0.00 C ATOM 1153 CG GLU A 57 84.272 7.058 -5.018 1.00 0.00 C ATOM 1154 CD GLU A 57 84.256 8.191 -6.025 1.00 0.00 C ATOM 1155 OE1 GLU A 57 83.271 8.307 -6.783 1.00 0.00 O ATOM 1156 OE2 GLU A 57 85.226 8.978 -6.055 1.00 0.00 O ATOM 0 H GLU A 57 86.224 9.238 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 57 84.164 9.508 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.708 6.612 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.543 7.589 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 57 85.303 6.759 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.762 6.193 -5.441 1.00 0.00 H new ATOM 1163 N GLY A 58 83.463 8.423 -0.779 1.00 0.00 N ATOM 1164 CA GLY A 58 82.705 8.749 0.412 1.00 0.00 C ATOM 1165 C GLY A 58 83.373 8.247 1.676 1.00 0.00 C ATOM 1166 O GLY A 58 83.287 8.883 2.726 1.00 0.00 O ATOM 0 H GLY A 58 84.065 7.604 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.579 9.830 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.708 8.316 0.335 1.00 0.00 H new ATOM 1170 N VAL A 59 84.044 7.107 1.574 1.00 0.00 N ATOM 1171 CA VAL A 59 84.719 6.517 2.723 1.00 0.00 C ATOM 1172 C VAL A 59 86.012 7.265 3.031 1.00 0.00 C ATOM 1173 O VAL A 59 86.893 7.385 2.173 1.00 0.00 O ATOM 1174 CB VAL A 59 85.038 5.024 2.488 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.666 4.404 3.727 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.784 4.263 2.092 1.00 0.00 C ATOM 0 H VAL A 59 84.135 6.573 0.710 1.00 0.00 H new ATOM 0 HA VAL A 59 84.040 6.599 3.572 1.00 0.00 H new ATOM 0 HB VAL A 59 85.755 4.957 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.882 3.352 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.592 4.927 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.975 4.487 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.031 3.214 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.043 4.344 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.377 4.685 1.173 1.00 0.00 H new ATOM 1186 N GLU A 60 86.110 7.784 4.245 1.00 0.00 N ATOM 1187 CA GLU A 60 87.300 8.490 4.677 1.00 0.00 C ATOM 1188 C GLU A 60 88.245 7.548 5.414 1.00 0.00 C ATOM 1189 O GLU A 60 87.839 6.811 6.317 1.00 0.00 O ATOM 1190 CB GLU A 60 86.927 9.690 5.549 1.00 0.00 C ATOM 1191 CG GLU A 60 88.131 10.450 6.078 1.00 0.00 C ATOM 1192 CD GLU A 60 87.789 11.863 6.504 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.029 12.031 7.477 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.285 12.816 5.862 1.00 0.00 O ATOM 0 H GLU A 60 85.375 7.728 4.949 1.00 0.00 H new ATOM 0 HA GLU A 60 87.819 8.864 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 60 86.303 10.371 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.326 9.345 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.552 9.911 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.902 10.483 5.308 1.00 0.00 H new ATOM 1201 N ILE A 61 89.504 7.576 5.006 1.00 0.00 N ATOM 1202 CA ILE A 61 90.524 6.694 5.549 1.00 0.00 C ATOM 1203 C ILE A 61 91.554 7.510 6.319 1.00 0.00 C ATOM 1204 O ILE A 61 91.872 8.625 5.924 1.00 0.00 O ATOM 1205 CB ILE A 61 91.251 5.928 4.415 1.00 0.00 C ATOM 1206 CG1 ILE A 61 90.245 5.319 3.431 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.155 4.846 4.988 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.323 4.294 4.050 1.00 0.00 C ATOM 0 H ILE A 61 89.848 8.213 4.287 1.00 0.00 H new ATOM 0 HA ILE A 61 90.035 5.979 6.210 1.00 0.00 H new ATOM 0 HB ILE A 61 91.869 6.643 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.644 6.120 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.791 4.853 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.655 4.321 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.901 5.302 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.557 4.139 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.642 3.911 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 61 89.913 3.472 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 61 88.748 4.759 4.851 1.00 0.00 H new ATOM 1220 N VAL A 62 92.063 6.970 7.413 1.00 0.00 N ATOM 1221 CA VAL A 62 93.145 7.621 8.142 1.00 0.00 C ATOM 1222 C VAL A 62 94.392 6.742 8.148 1.00 0.00 C ATOM 1223 O VAL A 62 94.359 5.594 8.603 1.00 0.00 O ATOM 1224 CB VAL A 62 92.744 7.985 9.592 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.806 9.181 9.601 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.093 6.807 10.298 1.00 0.00 C ATOM 0 H VAL A 62 91.749 6.088 7.817 1.00 0.00 H new ATOM 0 HA VAL A 62 93.363 8.553 7.620 1.00 0.00 H new ATOM 0 HB VAL A 62 93.655 8.244 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.534 9.423 10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.304 10.037 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.906 8.942 9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.823 7.095 11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.196 6.508 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.792 5.971 10.332 1.00 0.00 H new ATOM 1236 N ILE A 63 95.483 7.269 7.612 1.00 0.00 N ATOM 1237 CA ILE A 63 96.724 6.519 7.516 1.00 0.00 C ATOM 1238 C ILE A 63 97.903 7.379 7.954 1.00 0.00 C ATOM 1239 O ILE A 63 98.118 8.472 7.429 1.00 0.00 O ATOM 1240 CB ILE A 63 96.969 6.002 6.079 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.820 5.084 5.645 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.303 5.269 5.996 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.910 4.619 4.207 1.00 0.00 C ATOM 0 H ILE A 63 95.533 8.216 7.236 1.00 0.00 H new ATOM 0 HA ILE A 63 96.634 5.659 8.179 1.00 0.00 H new ATOM 0 HB ILE A 63 97.006 6.855 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.800 4.211 6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.876 5.610 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.459 4.912 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.110 5.949 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.295 4.421 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.061 3.975 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.897 5.484 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.836 4.063 4.062 1.00 0.00 H new ATOM 1255 N ALA A 64 98.656 6.874 8.921 1.00 0.00 N ATOM 1256 CA ALA A 64 99.815 7.581 9.439 1.00 0.00 C ATOM 1257 C ALA A 64 100.881 7.738 8.357 1.00 0.00 C ATOM 1258 O ALA A 64 101.123 6.810 7.578 1.00 0.00 O ATOM 1259 CB ALA A 64 100.377 6.846 10.647 1.00 0.00 C ATOM 0 H ALA A 64 98.482 5.972 9.364 1.00 0.00 H new ATOM 0 HA ALA A 64 99.505 8.578 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.245 7.383 11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.615 6.789 11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.673 5.839 10.355 1.00 0.00 H new ATOM 1265 N PRO A 65 101.523 8.919 8.299 1.00 0.00 N ATOM 1266 CA PRO A 65 102.541 9.245 7.288 1.00 0.00 C ATOM 1267 C PRO A 65 103.588 8.146 7.093 1.00 0.00 C ATOM 1268 O PRO A 65 104.010 7.876 5.967 1.00 0.00 O ATOM 1269 CB PRO A 65 103.196 10.505 7.850 1.00 0.00 C ATOM 1270 CG PRO A 65 102.123 11.161 8.646 1.00 0.00 C ATOM 1271 CD PRO A 65 101.290 10.048 9.223 1.00 0.00 C ATOM 0 HA PRO A 65 102.093 9.367 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.058 10.261 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.553 11.156 7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.548 11.780 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.518 11.816 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.598 9.803 10.240 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.235 10.319 9.266 1.00 0.00 H new ATOM 1279 N ASP A 66 103.987 7.504 8.185 1.00 0.00 N ATOM 1280 CA ASP A 66 105.008 6.459 8.137 1.00 0.00 C ATOM 1281 C ASP A 66 104.564 5.283 7.268 1.00 0.00 C ATOM 1282 O ASP A 66 105.375 4.675 6.566 1.00 0.00 O ATOM 1283 CB ASP A 66 105.331 5.969 9.551 1.00 0.00 C ATOM 1284 CG ASP A 66 106.492 4.995 9.576 1.00 0.00 C ATOM 1285 OD1 ASP A 66 107.642 5.434 9.368 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.265 3.788 9.824 1.00 0.00 O ATOM 0 H ASP A 66 103.619 7.688 9.118 1.00 0.00 H new ATOM 0 HA ASP A 66 105.904 6.890 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.565 6.825 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.449 5.490 9.976 1.00 0.00 H new ATOM 1291 N TYR A 67 103.272 4.983 7.296 1.00 0.00 N ATOM 1292 CA TYR A 67 102.736 3.849 6.550 1.00 0.00 C ATOM 1293 C TYR A 67 102.279 4.273 5.162 1.00 0.00 C ATOM 1294 O TYR A 67 102.042 3.433 4.295 1.00 0.00 O ATOM 1295 CB TYR A 67 101.579 3.204 7.316 1.00 0.00 C ATOM 1296 CG TYR A 67 102.000 2.625 8.645 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.501 1.333 8.734 1.00 0.00 C ATOM 1298 CD2 TYR A 67 101.914 3.376 9.810 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.902 0.805 9.945 1.00 0.00 C ATOM 1300 CE2 TYR A 67 102.317 2.857 11.023 1.00 0.00 C ATOM 1301 CZ TYR A 67 102.809 1.572 11.085 1.00 0.00 C ATOM 1302 OH TYR A 67 103.217 1.051 12.292 1.00 0.00 O ATOM 0 H TYR A 67 102.576 5.507 7.826 1.00 0.00 H new ATOM 0 HA TYR A 67 103.534 3.115 6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.800 3.949 7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 67 101.141 2.415 6.705 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.578 0.731 7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 67 101.525 4.383 9.766 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.286 -0.203 9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 67 102.247 3.455 11.919 1.00 0.00 H new ATOM 0 HH TYR A 67 103.087 1.719 12.997 1.00 0.00 H new ATOM 1312 N VAL A 68 102.169 5.578 4.957 1.00 0.00 N ATOM 1313 CA VAL A 68 101.802 6.130 3.657 1.00 0.00 C ATOM 1314 C VAL A 68 102.795 5.700 2.576 1.00 0.00 C ATOM 1315 O VAL A 68 102.422 5.457 1.429 1.00 0.00 O ATOM 1316 CB VAL A 68 101.720 7.673 3.722 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.649 8.294 2.337 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.516 8.097 4.547 1.00 0.00 C ATOM 0 H VAL A 68 102.330 6.280 5.679 1.00 0.00 H new ATOM 0 HA VAL A 68 100.819 5.738 3.395 1.00 0.00 H new ATOM 0 HB VAL A 68 102.632 8.033 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.593 9.379 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.540 8.023 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.764 7.926 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.467 9.185 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.606 7.709 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.610 7.701 5.558 1.00 0.00 H new ATOM 1328 N SER A 69 104.055 5.559 2.962 1.00 0.00 N ATOM 1329 CA SER A 69 105.105 5.176 2.026 1.00 0.00 C ATOM 1330 C SER A 69 105.078 3.667 1.747 1.00 0.00 C ATOM 1331 O SER A 69 105.953 3.140 1.059 1.00 0.00 O ATOM 1332 CB SER A 69 106.469 5.591 2.589 1.00 0.00 C ATOM 1333 OG SER A 69 107.506 5.399 1.641 1.00 0.00 O ATOM 0 H SER A 69 104.377 5.704 3.919 1.00 0.00 H new ATOM 0 HA SER A 69 104.931 5.690 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.437 6.639 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.684 5.011 3.487 1.00 0.00 H new ATOM 0 HG SER A 69 107.335 4.580 1.131 1.00 0.00 H new ATOM 1339 N LEU A 70 104.074 2.977 2.279 1.00 0.00 N ATOM 1340 CA LEU A 70 103.941 1.537 2.079 1.00 0.00 C ATOM 1341 C LEU A 70 102.578 1.186 1.486 1.00 0.00 C ATOM 1342 O LEU A 70 102.462 0.286 0.655 1.00 0.00 O ATOM 1343 CB LEU A 70 104.126 0.794 3.406 1.00 0.00 C ATOM 1344 CG LEU A 70 105.510 0.919 4.048 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.515 0.268 5.422 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.572 0.288 3.160 1.00 0.00 C ATOM 0 H LEU A 70 103.340 3.392 2.853 1.00 0.00 H new ATOM 0 HA LEU A 70 104.717 1.228 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.383 1.161 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.916 -0.263 3.242 1.00 0.00 H new ATOM 0 HG LEU A 70 105.742 1.978 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.505 0.364 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.781 0.760 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.262 -0.788 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.549 0.387 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.345 -0.768 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.585 0.792 2.194 1.00 0.00 H new ATOM 1358 N LEU A 71 101.548 1.909 1.915 1.00 0.00 N ATOM 1359 CA LEU A 71 100.174 1.603 1.525 1.00 0.00 C ATOM 1360 C LEU A 71 99.776 2.302 0.227 1.00 0.00 C ATOM 1361 O LEU A 71 98.656 2.137 -0.259 1.00 0.00 O ATOM 1362 CB LEU A 71 99.216 2.007 2.647 1.00 0.00 C ATOM 1363 CG LEU A 71 99.424 1.272 3.972 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.533 1.859 5.050 1.00 0.00 C ATOM 1365 CD2 LEU A 71 99.143 -0.213 3.808 1.00 0.00 C ATOM 0 H LEU A 71 101.639 2.714 2.535 1.00 0.00 H new ATOM 0 HA LEU A 71 100.112 0.529 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.318 3.078 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.194 1.835 2.310 1.00 0.00 H new ATOM 0 HG LEU A 71 100.464 1.397 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.694 1.324 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.775 2.913 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.489 1.762 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 99.296 -0.720 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 71 98.112 -0.355 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.819 -0.631 3.062 1.00 0.00 H new ATOM 1377 N ASP A 72 100.692 3.075 -0.334 1.00 0.00 N ATOM 1378 CA ASP A 72 100.421 3.807 -1.567 1.00 0.00 C ATOM 1379 C ASP A 72 100.205 2.857 -2.746 1.00 0.00 C ATOM 1380 O ASP A 72 100.852 1.811 -2.837 1.00 0.00 O ATOM 1381 CB ASP A 72 101.563 4.777 -1.867 1.00 0.00 C ATOM 1382 CG ASP A 72 101.390 5.492 -3.191 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.317 6.093 -3.417 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.328 5.451 -4.017 1.00 0.00 O ATOM 0 H ASP A 72 101.630 3.214 0.042 1.00 0.00 H new ATOM 0 HA ASP A 72 99.501 4.374 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.628 5.514 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.506 4.230 -1.874 1.00 0.00 H new ATOM 1389 N GLN A 73 99.269 3.233 -3.620 1.00 0.00 N ATOM 1390 CA GLN A 73 98.936 2.472 -4.829 1.00 0.00 C ATOM 1391 C GLN A 73 98.305 1.118 -4.510 1.00 0.00 C ATOM 1392 O GLN A 73 98.311 0.207 -5.337 1.00 0.00 O ATOM 1393 CB GLN A 73 100.159 2.301 -5.732 1.00 0.00 C ATOM 1394 CG GLN A 73 100.534 3.575 -6.470 1.00 0.00 C ATOM 1395 CD GLN A 73 101.631 3.365 -7.491 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.513 2.525 -7.316 1.00 0.00 O ATOM 1397 NE2 GLN A 73 101.583 4.133 -8.568 1.00 0.00 N ATOM 0 H GLN A 73 98.715 4.082 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 73 98.190 3.055 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.006 1.974 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 73 99.961 1.512 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 73 99.651 3.972 -6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.856 4.325 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 73 100.834 4.817 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 73 102.295 4.041 -9.292 1.00 0.00 H new ATOM 1406 N THR A 74 97.726 1.001 -3.326 1.00 0.00 N ATOM 1407 CA THR A 74 97.006 -0.204 -2.957 1.00 0.00 C ATOM 1408 C THR A 74 95.555 -0.125 -3.434 1.00 0.00 C ATOM 1409 O THR A 74 94.840 0.831 -3.127 1.00 0.00 O ATOM 1410 CB THR A 74 97.040 -0.431 -1.434 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.398 -0.475 -0.978 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.340 -1.726 -1.057 1.00 0.00 C ATOM 0 H THR A 74 97.741 1.724 -2.607 1.00 0.00 H new ATOM 0 HA THR A 74 97.500 -1.046 -3.442 1.00 0.00 H new ATOM 0 HB THR A 74 96.516 0.398 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.679 0.422 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.380 -1.860 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.300 -1.684 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.838 -2.564 -1.545 1.00 0.00 H new ATOM 1420 N THR A 75 95.131 -1.118 -4.201 1.00 0.00 N ATOM 1421 CA THR A 75 93.768 -1.161 -4.700 1.00 0.00 C ATOM 1422 C THR A 75 92.918 -2.106 -3.851 1.00 0.00 C ATOM 1423 O THR A 75 93.105 -3.318 -3.879 1.00 0.00 O ATOM 1424 CB THR A 75 93.741 -1.611 -6.174 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.662 -0.818 -6.938 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.342 -1.477 -6.761 1.00 0.00 C ATOM 0 H THR A 75 95.713 -1.904 -4.491 1.00 0.00 H new ATOM 0 HA THR A 75 93.351 -0.156 -4.635 1.00 0.00 H new ATOM 0 HB THR A 75 94.033 -2.660 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.644 -1.107 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.351 -1.801 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.648 -2.098 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.023 -0.436 -6.708 1.00 0.00 H new ATOM 1434 N LEU A 76 91.997 -1.545 -3.087 1.00 0.00 N ATOM 1435 CA LEU A 76 91.150 -2.333 -2.206 1.00 0.00 C ATOM 1436 C LEU A 76 89.930 -2.851 -2.957 1.00 0.00 C ATOM 1437 O LEU A 76 88.979 -2.107 -3.200 1.00 0.00 O ATOM 1438 CB LEU A 76 90.704 -1.494 -1.009 1.00 0.00 C ATOM 1439 CG LEU A 76 89.747 -2.196 -0.047 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.439 -3.360 0.645 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.203 -1.208 0.971 1.00 0.00 C ATOM 0 H LEU A 76 91.815 -0.542 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 76 91.729 -3.185 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.589 -1.182 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.224 -0.588 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 76 88.910 -2.594 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.740 -3.846 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.777 -4.078 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.296 -2.991 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.523 -1.722 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.028 -0.780 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.667 -0.412 0.455 1.00 0.00 H new ATOM 1453 N ASP A 77 89.965 -4.121 -3.327 1.00 0.00 N ATOM 1454 CA ASP A 77 88.864 -4.731 -4.060 1.00 0.00 C ATOM 1455 C ASP A 77 88.079 -5.654 -3.129 1.00 0.00 C ATOM 1456 O ASP A 77 88.632 -6.195 -2.168 1.00 0.00 O ATOM 1457 CB ASP A 77 89.396 -5.509 -5.270 1.00 0.00 C ATOM 1458 CG ASP A 77 88.403 -5.573 -6.418 1.00 0.00 C ATOM 1459 OD1 ASP A 77 87.375 -6.267 -6.291 1.00 0.00 O ATOM 1460 OD2 ASP A 77 88.658 -4.937 -7.468 1.00 0.00 O ATOM 0 H ASP A 77 90.743 -4.751 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 77 88.199 -3.949 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 77 90.317 -5.042 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.650 -6.523 -4.960 1.00 0.00 H new ATOM 1465 N TYR A 78 86.796 -5.816 -3.402 1.00 0.00 N ATOM 1466 CA TYR A 78 85.924 -6.620 -2.556 1.00 0.00 C ATOM 1467 C TYR A 78 85.411 -7.827 -3.337 1.00 0.00 C ATOM 1468 O TYR A 78 84.589 -7.682 -4.244 1.00 0.00 O ATOM 1469 CB TYR A 78 84.756 -5.754 -2.069 1.00 0.00 C ATOM 1470 CG TYR A 78 83.835 -6.414 -1.062 1.00 0.00 C ATOM 1471 CD1 TYR A 78 84.112 -6.361 0.298 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.678 -7.064 -1.468 1.00 0.00 C ATOM 1473 CE1 TYR A 78 83.263 -6.939 1.223 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.826 -7.647 -0.551 1.00 0.00 C ATOM 1475 CZ TYR A 78 82.121 -7.580 0.794 1.00 0.00 C ATOM 1476 OH TYR A 78 81.270 -8.157 1.711 1.00 0.00 O ATOM 0 H TYR A 78 86.330 -5.399 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 78 86.481 -6.983 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.160 -4.844 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.165 -5.451 -2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 78 85.006 -5.860 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.440 -7.115 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 78 83.494 -6.889 2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.933 -8.153 -0.886 1.00 0.00 H new ATOM 0 HH TYR A 78 80.782 -7.456 2.191 1.00 0.00 H new ATOM 1486 N VAL A 79 85.906 -9.012 -2.996 1.00 0.00 N ATOM 1487 CA VAL A 79 85.546 -10.226 -3.721 1.00 0.00 C ATOM 1488 C VAL A 79 85.198 -11.364 -2.769 1.00 0.00 C ATOM 1489 O VAL A 79 85.479 -11.298 -1.572 1.00 0.00 O ATOM 1490 CB VAL A 79 86.688 -10.704 -4.647 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.988 -9.675 -5.727 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.938 -11.017 -3.839 1.00 0.00 C ATOM 0 H VAL A 79 86.556 -9.158 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 79 84.674 -9.968 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 79 86.359 -11.619 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.795 -10.039 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.096 -9.511 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.288 -8.736 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.730 -11.352 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.264 -10.121 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.717 -11.803 -3.117 1.00 0.00 H new ATOM 1502 N GLU A 80 84.588 -12.409 -3.307 1.00 0.00 N ATOM 1503 CA GLU A 80 84.308 -13.610 -2.541 1.00 0.00 C ATOM 1504 C GLU A 80 85.256 -14.722 -2.981 1.00 0.00 C ATOM 1505 O GLU A 80 84.999 -15.423 -3.959 1.00 0.00 O ATOM 1506 CB GLU A 80 82.852 -14.047 -2.727 1.00 0.00 C ATOM 1507 CG GLU A 80 82.457 -15.225 -1.853 1.00 0.00 C ATOM 1508 CD GLU A 80 81.055 -15.721 -2.134 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.858 -16.398 -3.163 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.150 -15.461 -1.315 1.00 0.00 O ATOM 0 H GLU A 80 84.276 -12.447 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 80 84.462 -13.399 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.197 -13.204 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.691 -14.310 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.164 -16.040 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.531 -14.935 -0.805 1.00 0.00 H new ATOM 1517 N LEU A 81 86.364 -14.857 -2.263 1.00 0.00 N ATOM 1518 CA LEU A 81 87.401 -15.827 -2.614 1.00 0.00 C ATOM 1519 C LEU A 81 86.897 -17.255 -2.451 1.00 0.00 C ATOM 1520 O LEU A 81 87.271 -18.151 -3.207 1.00 0.00 O ATOM 1521 CB LEU A 81 88.642 -15.612 -1.745 1.00 0.00 C ATOM 1522 CG LEU A 81 89.327 -14.255 -1.916 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.467 -14.108 -0.923 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.837 -14.089 -3.338 1.00 0.00 C ATOM 0 H LEU A 81 86.571 -14.306 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 81 87.663 -15.674 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.359 -15.729 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.364 -16.397 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 81 88.594 -13.473 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.944 -13.137 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.077 -14.183 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.199 -14.898 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.321 -13.118 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.555 -14.878 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.001 -14.152 -4.034 1.00 0.00 H new ATOM 1536 N GLU A 82 86.040 -17.451 -1.466 1.00 0.00 N ATOM 1537 CA GLU A 82 85.479 -18.759 -1.181 1.00 0.00 C ATOM 1538 C GLU A 82 83.990 -18.590 -0.923 1.00 0.00 C ATOM 1539 O GLU A 82 83.613 -17.737 -0.129 1.00 0.00 O ATOM 1540 CB GLU A 82 86.196 -19.364 0.037 1.00 0.00 C ATOM 1541 CG GLU A 82 85.963 -20.856 0.249 1.00 0.00 C ATOM 1542 CD GLU A 82 84.634 -21.173 0.901 1.00 0.00 C ATOM 1543 OE1 GLU A 82 84.384 -20.683 2.018 1.00 0.00 O ATOM 1544 OE2 GLU A 82 83.844 -21.931 0.309 1.00 0.00 O ATOM 0 H GLU A 82 85.714 -16.712 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 82 85.618 -19.439 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.267 -19.191 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.873 -18.831 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.017 -21.364 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 82 86.767 -21.257 0.867 1.00 0.00 H new ATOM 1551 N PRO A 83 83.135 -19.362 -1.621 1.00 0.00 N ATOM 1552 CA PRO A 83 81.672 -19.263 -1.503 1.00 0.00 C ATOM 1553 C PRO A 83 81.192 -19.072 -0.064 1.00 0.00 C ATOM 1554 O PRO A 83 81.315 -19.967 0.773 1.00 0.00 O ATOM 1555 CB PRO A 83 81.199 -20.605 -2.055 1.00 0.00 C ATOM 1556 CG PRO A 83 82.219 -20.959 -3.083 1.00 0.00 C ATOM 1557 CD PRO A 83 83.532 -20.403 -2.592 1.00 0.00 C ATOM 0 HA PRO A 83 81.280 -18.394 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.145 -21.361 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 83 80.204 -20.527 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 83 82.280 -22.039 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 83 81.956 -20.535 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.143 -21.175 -2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.119 -19.984 -3.409 1.00 0.00 H new ATOM 1565 N GLY A 84 80.662 -17.888 0.218 1.00 0.00 N ATOM 1566 CA GLY A 84 80.223 -17.566 1.558 1.00 0.00 C ATOM 1567 C GLY A 84 81.133 -16.551 2.223 1.00 0.00 C ATOM 1568 O GLY A 84 80.669 -15.649 2.919 1.00 0.00 O ATOM 0 H GLY A 84 80.529 -17.142 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.207 -17.174 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.193 -18.475 2.159 1.00 0.00 H new ATOM 1572 N GLN A 85 82.429 -16.680 1.972 1.00 0.00 N ATOM 1573 CA GLN A 85 83.429 -15.833 2.603 1.00 0.00 C ATOM 1574 C GLN A 85 83.842 -14.678 1.696 1.00 0.00 C ATOM 1575 O GLN A 85 84.692 -14.840 0.812 1.00 0.00 O ATOM 1576 CB GLN A 85 84.675 -16.646 2.971 1.00 0.00 C ATOM 1577 CG GLN A 85 84.449 -17.689 4.050 1.00 0.00 C ATOM 1578 CD GLN A 85 85.731 -18.400 4.442 1.00 0.00 C ATOM 1579 OE1 GLN A 85 86.457 -17.954 5.331 1.00 0.00 O ATOM 1580 NE2 GLN A 85 86.023 -19.505 3.778 1.00 0.00 N ATOM 0 H GLN A 85 82.814 -17.371 1.328 1.00 0.00 H new ATOM 0 HA GLN A 85 82.975 -15.425 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 85 85.047 -17.143 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 85 85.455 -15.961 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 85 84.018 -17.211 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 85 83.723 -18.422 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 85 85.395 -19.842 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 85 86.876 -20.020 3.996 1.00 0.00 H new ATOM 1589 N PHE A 86 83.238 -13.518 1.908 1.00 0.00 N ATOM 1590 CA PHE A 86 83.675 -12.304 1.234 1.00 0.00 C ATOM 1591 C PHE A 86 84.939 -11.779 1.895 1.00 0.00 C ATOM 1592 O PHE A 86 85.095 -11.870 3.114 1.00 0.00 O ATOM 1593 CB PHE A 86 82.587 -11.229 1.265 1.00 0.00 C ATOM 1594 CG PHE A 86 81.524 -11.398 0.216 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.770 -11.031 -1.098 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.278 -11.903 0.543 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.792 -11.167 -2.065 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.298 -12.044 -0.420 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.555 -11.675 -1.725 1.00 0.00 C ATOM 0 H PHE A 86 82.447 -13.392 2.539 1.00 0.00 H new ATOM 0 HA PHE A 86 83.879 -12.547 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.116 -11.233 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.054 -10.252 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.737 -10.634 -1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.069 -12.190 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.996 -10.876 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.331 -12.443 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.789 -11.784 -2.479 1.00 0.00 H new ATOM 1609 N HIS A 87 85.848 -11.245 1.097 1.00 0.00 N ATOM 1610 CA HIS A 87 87.117 -10.756 1.612 1.00 0.00 C ATOM 1611 C HIS A 87 87.498 -9.427 0.988 1.00 0.00 C ATOM 1612 O HIS A 87 87.293 -9.204 -0.207 1.00 0.00 O ATOM 1613 CB HIS A 87 88.240 -11.764 1.350 1.00 0.00 C ATOM 1614 CG HIS A 87 88.267 -12.919 2.299 1.00 0.00 C ATOM 1615 ND1 HIS A 87 89.017 -12.919 3.452 1.00 0.00 N ATOM 1616 CD2 HIS A 87 87.651 -14.122 2.253 1.00 0.00 C ATOM 1617 CE1 HIS A 87 88.860 -14.072 4.075 1.00 0.00 C ATOM 1618 NE2 HIS A 87 88.036 -14.825 3.368 1.00 0.00 N ATOM 0 H HIS A 87 85.731 -11.139 0.089 1.00 0.00 H new ATOM 0 HA HIS A 87 86.989 -10.620 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.139 -12.146 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.197 -11.245 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 87 86.979 -14.467 1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 87 89.327 -14.353 5.007 1.00 0.00 H new ATOM 0 HE2 HIS A 87 87.736 -15.770 3.610 1.00 0.00 H new ATOM 1627 N PHE A 88 88.039 -8.545 1.812 1.00 0.00 N ATOM 1628 CA PHE A 88 88.682 -7.341 1.323 1.00 0.00 C ATOM 1629 C PHE A 88 90.092 -7.694 0.884 1.00 0.00 C ATOM 1630 O PHE A 88 90.915 -8.101 1.707 1.00 0.00 O ATOM 1631 CB PHE A 88 88.746 -6.272 2.417 1.00 0.00 C ATOM 1632 CG PHE A 88 87.413 -5.719 2.827 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.665 -6.335 3.818 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.915 -4.572 2.231 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.445 -5.817 4.204 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.697 -4.049 2.616 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.962 -4.671 3.604 1.00 0.00 C ATOM 0 H PHE A 88 88.044 -8.643 2.827 1.00 0.00 H new ATOM 0 HA PHE A 88 88.105 -6.942 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.234 -6.697 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.374 -5.452 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.040 -7.229 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.486 -4.082 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.869 -6.308 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.320 -3.154 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.010 -4.262 3.908 1.00 0.00 H new ATOM 1647 N ILE A 89 90.370 -7.577 -0.399 1.00 0.00 N ATOM 1648 CA ILE A 89 91.688 -7.907 -0.900 1.00 0.00 C ATOM 1649 C ILE A 89 92.440 -6.650 -1.301 1.00 0.00 C ATOM 1650 O ILE A 89 91.938 -5.817 -2.060 1.00 0.00 O ATOM 1651 CB ILE A 89 91.650 -8.902 -2.084 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.842 -8.337 -3.257 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.077 -10.238 -1.632 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.929 -9.177 -4.514 1.00 0.00 C ATOM 0 H ILE A 89 89.708 -7.259 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 89 92.214 -8.400 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 89 92.672 -9.058 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.797 -8.251 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.194 -7.330 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.056 -10.929 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.700 -10.652 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.064 -10.091 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.333 -8.716 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.968 -9.242 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.549 -10.178 -4.310 1.00 0.00 H new ATOM 1666 N PHE A 90 93.630 -6.497 -0.758 1.00 0.00 N ATOM 1667 CA PHE A 90 94.480 -5.382 -1.111 1.00 0.00 C ATOM 1668 C PHE A 90 95.296 -5.746 -2.340 1.00 0.00 C ATOM 1669 O PHE A 90 96.344 -6.384 -2.238 1.00 0.00 O ATOM 1670 CB PHE A 90 95.391 -5.009 0.060 1.00 0.00 C ATOM 1671 CG PHE A 90 94.642 -4.556 1.283 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.223 -5.473 2.236 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.354 -3.216 1.479 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.532 -5.060 3.358 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.663 -2.797 2.600 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.251 -3.719 3.540 1.00 0.00 C ATOM 0 H PHE A 90 94.030 -7.133 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 90 93.863 -4.513 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.007 -5.870 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.069 -4.216 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.440 -6.522 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.673 -2.489 0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.212 -5.784 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.446 -1.748 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.710 -3.394 4.416 1.00 0.00 H new ATOM 1686 N LEU A 91 94.781 -5.378 -3.504 1.00 0.00 N ATOM 1687 CA LEU A 91 95.415 -5.713 -4.766 1.00 0.00 C ATOM 1688 C LEU A 91 96.688 -4.902 -4.948 1.00 0.00 C ATOM 1689 O LEU A 91 96.667 -3.781 -5.462 1.00 0.00 O ATOM 1690 CB LEU A 91 94.456 -5.470 -5.935 1.00 0.00 C ATOM 1691 CG LEU A 91 94.939 -5.991 -7.289 1.00 0.00 C ATOM 1692 CD1 LEU A 91 94.967 -7.511 -7.295 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.055 -5.466 -8.409 1.00 0.00 C ATOM 0 H LEU A 91 93.918 -4.843 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 91 95.674 -6.772 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.499 -5.938 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.274 -4.399 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 91 95.953 -5.629 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.313 -7.865 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.644 -7.866 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.964 -7.894 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.414 -5.847 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.029 -5.797 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.087 -4.377 -8.418 1.00 0.00 H new ATOM 1705 N ASN A 92 97.778 -5.464 -4.463 1.00 0.00 N ATOM 1706 CA ASN A 92 99.098 -4.870 -4.578 1.00 0.00 C ATOM 1707 C ASN A 92 100.131 -5.887 -4.133 1.00 0.00 C ATOM 1708 O ASN A 92 100.124 -6.303 -2.975 1.00 0.00 O ATOM 1709 CB ASN A 92 99.217 -3.608 -3.712 1.00 0.00 C ATOM 1710 CG ASN A 92 100.621 -3.022 -3.727 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.325 -3.078 -4.734 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.040 -2.462 -2.603 1.00 0.00 N ATOM 0 H ASN A 92 97.773 -6.358 -3.971 1.00 0.00 H new ATOM 0 HA ASN A 92 99.265 -4.584 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 92 98.510 -2.859 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 92 98.938 -3.847 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.975 -2.058 -2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 92 100.428 -2.434 -1.788 1.00 0.00 H new ATOM 1719 N PRO A 93 101.004 -6.332 -5.053 1.00 0.00 N ATOM 1720 CA PRO A 93 102.083 -7.259 -4.725 1.00 0.00 C ATOM 1721 C PRO A 93 102.844 -6.810 -3.485 1.00 0.00 C ATOM 1722 O PRO A 93 103.442 -5.733 -3.462 1.00 0.00 O ATOM 1723 CB PRO A 93 102.977 -7.214 -5.963 1.00 0.00 C ATOM 1724 CG PRO A 93 102.052 -6.868 -7.076 1.00 0.00 C ATOM 1725 CD PRO A 93 101.000 -5.970 -6.481 1.00 0.00 C ATOM 0 HA PRO A 93 101.722 -8.261 -4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 93 103.766 -6.470 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 93 103.465 -8.173 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 93 102.584 -6.364 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 93 101.603 -7.765 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 93 101.241 -4.917 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 93 100.024 -6.140 -6.935 1.00 0.00 H new ATOM 1733 N ARG A 94 102.825 -7.653 -2.467 1.00 0.00 N ATOM 1734 CA ARG A 94 103.333 -7.296 -1.150 1.00 0.00 C ATOM 1735 C ARG A 94 104.852 -7.426 -1.080 1.00 0.00 C ATOM 1736 O ARG A 94 105.431 -7.540 0.003 1.00 0.00 O ATOM 1737 CB ARG A 94 102.671 -8.182 -0.092 1.00 0.00 C ATOM 1738 CG ARG A 94 101.182 -7.920 0.071 1.00 0.00 C ATOM 1739 CD ARG A 94 100.553 -8.852 1.097 1.00 0.00 C ATOM 1740 NE ARG A 94 100.064 -10.091 0.493 1.00 0.00 N ATOM 1741 CZ ARG A 94 100.056 -11.270 1.111 1.00 0.00 C ATOM 1742 NH1 ARG A 94 100.590 -11.405 2.318 1.00 0.00 N ATOM 1743 NH2 ARG A 94 99.516 -12.323 0.511 1.00 0.00 N ATOM 0 H ARG A 94 102.458 -8.603 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 94 103.087 -6.252 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 94 102.821 -9.228 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 94 103.167 -8.024 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 94 101.026 -6.885 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 94 100.683 -8.047 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 94 101.287 -9.090 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 94 99.727 -8.341 1.592 1.00 0.00 H new ATOM 0 HE ARG A 94 99.707 -10.049 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 94 101.012 -10.601 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 94 100.578 -12.313 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.110 -12.227 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 94 99.507 -13.229 0.980 1.00 0.00 H new ATOM 1757 N ASP A 95 105.490 -7.368 -2.242 1.00 0.00 N ATOM 1758 CA ASP A 95 106.935 -7.524 -2.347 1.00 0.00 C ATOM 1759 C ASP A 95 107.419 -7.193 -3.765 1.00 0.00 C ATOM 1760 O ASP A 95 108.235 -6.287 -3.934 1.00 0.00 O ATOM 1761 CB ASP A 95 107.377 -8.938 -1.941 1.00 0.00 C ATOM 1762 CG ASP A 95 108.880 -9.109 -1.991 1.00 0.00 C ATOM 1763 OD1 ASP A 95 109.583 -8.442 -1.204 1.00 0.00 O ATOM 1764 OD2 ASP A 95 109.366 -9.925 -2.798 1.00 0.00 O ATOM 0 H ASP A 95 105.022 -7.212 -3.135 1.00 0.00 H new ATOM 0 HA ASP A 95 107.393 -6.819 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 95 107.023 -9.151 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 95 106.909 -9.666 -2.603 1.00 0.00 H new ATOM 1769 N PRO A 96 106.926 -7.903 -4.811 1.00 0.00 N ATOM 1770 CA PRO A 96 107.332 -7.649 -6.196 1.00 0.00 C ATOM 1771 C PRO A 96 106.615 -6.440 -6.799 1.00 0.00 C ATOM 1772 O PRO A 96 105.900 -5.716 -6.101 1.00 0.00 O ATOM 1773 CB PRO A 96 106.925 -8.934 -6.942 1.00 0.00 C ATOM 1774 CG PRO A 96 106.379 -9.863 -5.905 1.00 0.00 C ATOM 1775 CD PRO A 96 105.958 -9.004 -4.751 1.00 0.00 C ATOM 0 HA PRO A 96 108.395 -7.421 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 96 106.177 -8.720 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 96 107.782 -9.377 -7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.534 -10.430 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 96 107.133 -10.587 -5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.933 -8.650 -4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 96 106.011 -9.541 -3.804 1.00 0.00 H new ATOM 1783 N THR A 97 106.815 -6.225 -8.089 1.00 0.00 N ATOM 1784 CA THR A 97 106.167 -5.131 -8.796 1.00 0.00 C ATOM 1785 C THR A 97 104.948 -5.651 -9.558 1.00 0.00 C ATOM 1786 O THR A 97 104.851 -6.846 -9.843 1.00 0.00 O ATOM 1787 CB THR A 97 107.145 -4.462 -9.784 1.00 0.00 C ATOM 1788 OG1 THR A 97 108.428 -4.292 -9.164 1.00 0.00 O ATOM 1789 CG2 THR A 97 106.629 -3.105 -10.240 1.00 0.00 C ATOM 0 H THR A 97 107.425 -6.798 -8.672 1.00 0.00 H new ATOM 0 HA THR A 97 105.850 -4.390 -8.062 1.00 0.00 H new ATOM 0 HB THR A 97 107.234 -5.112 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 97 109.044 -3.868 -9.798 1.00 0.00 H new ATOM 0 HG21 THR A 97 107.341 -2.660 -10.935 1.00 0.00 H new ATOM 0 HG22 THR A 97 105.667 -3.230 -10.736 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.509 -2.452 -9.376 1.00 0.00 H new ATOM 1797 N TYR A 98 104.016 -4.764 -9.868 1.00 0.00 N ATOM 1798 CA TYR A 98 102.821 -5.139 -10.608 1.00 0.00 C ATOM 1799 C TYR A 98 102.825 -4.495 -11.992 1.00 0.00 C ATOM 1800 O TYR A 98 103.390 -3.413 -12.174 1.00 0.00 O ATOM 1801 CB TYR A 98 101.567 -4.720 -9.831 1.00 0.00 C ATOM 1802 CG TYR A 98 100.270 -5.037 -10.545 1.00 0.00 C ATOM 1803 CD1 TYR A 98 99.846 -6.351 -10.709 1.00 0.00 C ATOM 1804 CD2 TYR A 98 99.474 -4.022 -11.062 1.00 0.00 C ATOM 1805 CE1 TYR A 98 98.669 -6.643 -11.373 1.00 0.00 C ATOM 1806 CE2 TYR A 98 98.296 -4.307 -11.723 1.00 0.00 C ATOM 1807 CZ TYR A 98 97.898 -5.617 -11.876 1.00 0.00 C ATOM 1808 OH TYR A 98 96.728 -5.900 -12.541 1.00 0.00 O ATOM 0 H TYR A 98 104.064 -3.776 -9.618 1.00 0.00 H new ATOM 0 HA TYR A 98 102.814 -6.222 -10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 98 101.568 -5.219 -8.862 1.00 0.00 H new ATOM 0 HB3 TYR A 98 101.612 -3.648 -9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 98 100.446 -7.156 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 98 99.782 -2.993 -10.945 1.00 0.00 H new ATOM 0 HE1 TYR A 98 98.355 -7.669 -11.497 1.00 0.00 H new ATOM 0 HE2 TYR A 98 97.689 -3.506 -12.119 1.00 0.00 H new ATOM 0 HH TYR A 98 96.306 -5.064 -12.830 1.00 0.00 H new ATOM 1818 N ARG A 99 102.215 -5.188 -12.958 1.00 0.00 N ATOM 1819 CA ARG A 99 102.005 -4.660 -14.306 1.00 0.00 C ATOM 1820 C ARG A 99 103.320 -4.641 -15.090 1.00 0.00 C ATOM 1821 O ARG A 99 104.108 -3.704 -14.988 1.00 0.00 O ATOM 1822 CB ARG A 99 101.362 -3.260 -14.235 1.00 0.00 C ATOM 1823 CG ARG A 99 100.754 -2.756 -15.539 1.00 0.00 C ATOM 1824 CD ARG A 99 101.803 -2.234 -16.506 1.00 0.00 C ATOM 1825 NE ARG A 99 101.197 -1.551 -17.646 1.00 0.00 N ATOM 1826 CZ ARG A 99 101.498 -1.810 -18.916 1.00 0.00 C ATOM 1827 NH1 ARG A 99 102.346 -2.782 -19.216 1.00 0.00 N ATOM 1828 NH2 ARG A 99 100.940 -1.102 -19.888 1.00 0.00 N ATOM 0 H ARG A 99 101.853 -6.132 -12.825 1.00 0.00 H new ATOM 0 HA ARG A 99 101.318 -5.316 -14.840 1.00 0.00 H new ATOM 0 HB2 ARG A 99 100.584 -3.274 -13.472 1.00 0.00 H new ATOM 0 HB3 ARG A 99 102.118 -2.547 -13.906 1.00 0.00 H new ATOM 0 HG2 ARG A 99 100.198 -3.565 -16.013 1.00 0.00 H new ATOM 0 HG3 ARG A 99 100.039 -1.963 -15.320 1.00 0.00 H new ATOM 0 HD2 ARG A 99 102.470 -1.548 -15.984 1.00 0.00 H new ATOM 0 HD3 ARG A 99 102.414 -3.063 -16.862 1.00 0.00 H new ATOM 0 HE ARG A 99 100.500 -0.831 -17.457 1.00 0.00 H new ATOM 0 HH11 ARG A 99 102.771 -3.335 -18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 99 102.574 -2.977 -20.191 1.00 0.00 H new ATOM 0 HH21 ARG A 99 100.279 -0.358 -19.663 1.00 0.00 H new ATOM 0 HH22 ARG A 99 101.171 -1.301 -20.861 1.00 0.00 H new ATOM 1842 N PRO A 100 103.582 -5.708 -15.861 1.00 0.00 N ATOM 1843 CA PRO A 100 104.764 -5.820 -16.702 1.00 0.00 C ATOM 1844 C PRO A 100 104.499 -5.384 -18.147 1.00 0.00 C ATOM 1845 O PRO A 100 103.538 -5.834 -18.774 1.00 0.00 O ATOM 1846 CB PRO A 100 105.062 -7.317 -16.638 1.00 0.00 C ATOM 1847 CG PRO A 100 103.742 -7.988 -16.384 1.00 0.00 C ATOM 1848 CD PRO A 100 102.758 -6.920 -15.955 1.00 0.00 C ATOM 0 HA PRO A 100 105.581 -5.181 -16.368 1.00 0.00 H new ATOM 0 HB2 PRO A 100 105.506 -7.667 -17.570 1.00 0.00 H new ATOM 0 HB3 PRO A 100 105.773 -7.540 -15.843 1.00 0.00 H new ATOM 0 HG2 PRO A 100 103.390 -8.493 -17.284 1.00 0.00 H new ATOM 0 HG3 PRO A 100 103.842 -8.749 -15.610 1.00 0.00 H new ATOM 0 HD2 PRO A 100 101.953 -6.802 -16.680 1.00 0.00 H new ATOM 0 HD3 PRO A 100 102.293 -7.164 -15.000 1.00 0.00 H new ATOM 1856 N PRO A 101 105.334 -4.486 -18.692 1.00 0.00 N ATOM 1857 CA PRO A 101 105.208 -4.043 -20.081 1.00 0.00 C ATOM 1858 C PRO A 101 105.540 -5.160 -21.071 1.00 0.00 C ATOM 1859 O PRO A 101 104.690 -5.578 -21.857 1.00 0.00 O ATOM 1860 CB PRO A 101 106.208 -2.890 -20.196 1.00 0.00 C ATOM 1861 CG PRO A 101 107.179 -3.097 -19.084 1.00 0.00 C ATOM 1862 CD PRO A 101 106.442 -3.820 -17.991 1.00 0.00 C ATOM 0 HA PRO A 101 104.188 -3.744 -20.323 1.00 0.00 H new ATOM 0 HB2 PRO A 101 106.710 -2.900 -21.163 1.00 0.00 H new ATOM 0 HB3 PRO A 101 105.708 -1.926 -20.107 1.00 0.00 H new ATOM 0 HG2 PRO A 101 108.036 -3.679 -19.423 1.00 0.00 H new ATOM 0 HG3 PRO A 101 107.564 -2.143 -18.725 1.00 0.00 H new ATOM 0 HD2 PRO A 101 107.085 -4.540 -17.485 1.00 0.00 H new ATOM 0 HD3 PRO A 101 106.076 -3.129 -17.231 1.00 0.00 H new ATOM 1870 N SER A 102 106.768 -5.654 -21.019 1.00 0.00 N ATOM 1871 CA SER A 102 107.184 -6.743 -21.885 1.00 0.00 C ATOM 1872 C SER A 102 107.167 -8.065 -21.126 1.00 0.00 C ATOM 1873 O SER A 102 107.980 -8.290 -20.228 1.00 0.00 O ATOM 1874 CB SER A 102 108.577 -6.462 -22.449 1.00 0.00 C ATOM 1875 OG SER A 102 109.446 -5.974 -21.439 1.00 0.00 O ATOM 0 H SER A 102 107.493 -5.317 -20.385 1.00 0.00 H new ATOM 0 HA SER A 102 106.482 -6.819 -22.715 1.00 0.00 H new ATOM 0 HB2 SER A 102 108.990 -7.374 -22.879 1.00 0.00 H new ATOM 0 HB3 SER A 102 108.506 -5.733 -23.256 1.00 0.00 H new ATOM 0 HG SER A 102 109.362 -6.531 -20.637 1.00 0.00 H new ATOM 1881 N GLY A 103 106.221 -8.924 -21.471 1.00 0.00 N ATOM 1882 CA GLY A 103 106.127 -10.215 -20.830 1.00 0.00 C ATOM 1883 C GLY A 103 104.702 -10.557 -20.454 1.00 0.00 C ATOM 1884 O GLY A 103 103.850 -10.736 -21.326 1.00 0.00 O ATOM 0 H GLY A 103 105.515 -8.748 -22.186 1.00 0.00 H new ATOM 0 HA2 GLY A 103 106.520 -10.981 -21.498 1.00 0.00 H new ATOM 0 HA3 GLY A 103 106.750 -10.222 -19.936 1.00 0.00 H new ATOM 1888 N GLY A 104 104.439 -10.634 -19.161 1.00 0.00 N ATOM 1889 CA GLY A 104 103.114 -10.980 -18.697 1.00 0.00 C ATOM 1890 C GLY A 104 103.051 -12.407 -18.204 1.00 0.00 C ATOM 1891 O GLY A 104 104.085 -12.913 -17.716 1.00 0.00 O ATOM 1892 OXT GLY A 104 101.977 -13.031 -18.301 1.00 0.00 O ATOM 0 H GLY A 104 105.121 -10.463 -18.422 1.00 0.00 H new ATOM 0 HA2 GLY A 104 102.821 -10.304 -17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 104 102.397 -10.842 -19.506 1.00 0.00 H new TER 1896 GLY A 104