USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 705 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 35 GLN : amide:sc= -14.8! C(o=-17!,f=-13!) USER MOD Set 1.2: A 94 TYR OH : rot 54:sc= -2.17! USER MOD Set 2.1: A 19 THR OG1 : rot 171:sc= 0.278 USER MOD Set 2.2: A 77 THR OG1 : rot -33:sc= 0.697 USER MOD Set 3.1: A 37 TYR OH : rot 83:sc= 0.828 USER MOD Set 3.2: A 47 THR OG1 : rot -48:sc= 1.35 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 32 ASN : amide:sc= -6.81! C(o=-6.8!,f=-5.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 6 GLN : amide:sc= -5.59! C(o=-5.6!,f=-9.2!) USER MOD Single : A 8 HIS : no HD1:sc= 0.17! C(o=0.17!,f=-10!) USER MOD Single : A 9 SER OG : rot -23:sc= -0.263! USER MOD Single : A 11 SER OG : rot 24:sc= 0.658 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0633 (180deg=-0.652) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 25 SER OG : rot -91:sc= -0.461! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -6.78! C(o=-6.8!,f=-5.8!) USER MOD Single : A 39 GLN : amide:sc= -7.68! C(o=-7.7!,f=-4.3!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.67) USER MOD Single : A 54 GLN : amide:sc= -7.17! C(o=-7.2!,f=-2.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -37:sc= 1.11 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 91:sc= -0.299! USER MOD Single : A 72 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.94!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.543 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 4:sc= 0.375! USER MOD Single : A 89 TYR OH : rot 97:sc= 0.227 USER MOD Single : A 90 TYR OH : rot 34:sc= -1.63 USER MOD Single : A 92 GLN : amide:sc= -13.3! C(o=-13!,f=-7.2!) USER MOD Single : A 93 SER OG : rot -130:sc= -0.0105 USER MOD Single : A 106 THR OG1 : rot 65:sc= 0.0566 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.711 14.773 7.273 1.00 0.00 N ATOM 38 CA MET A 3 83.611 13.688 6.902 1.00 0.00 C ATOM 39 C MET A 3 82.935 12.376 7.264 1.00 0.00 C ATOM 40 O MET A 3 81.782 12.411 7.686 1.00 0.00 O ATOM 41 CB MET A 3 84.940 13.804 7.647 1.00 0.00 C ATOM 42 CG MET A 3 85.713 15.007 7.107 1.00 0.00 C ATOM 43 SD MET A 3 87.389 14.991 7.788 1.00 0.00 S ATOM 44 CE MET A 3 87.802 16.707 7.392 1.00 0.00 C ATOM 0 HA MET A 3 83.821 13.735 5.833 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.763 13.920 8.716 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.524 12.893 7.518 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.750 14.972 6.018 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.206 15.933 7.379 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.815 16.924 7.729 1.00 0.00 H new ATOM 0 HE2 MET A 3 87.738 16.857 6.314 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.102 17.375 7.893 1.00 0.00 H new ATOM 54 N LEU A 4 83.495 11.248 6.838 1.00 0.00 N ATOM 55 CA LEU A 4 82.901 9.965 7.188 1.00 0.00 C ATOM 56 C LEU A 4 83.982 8.965 7.591 1.00 0.00 C ATOM 57 O LEU A 4 84.994 8.810 6.908 1.00 0.00 O ATOM 58 CB LEU A 4 82.081 9.453 5.994 1.00 0.00 C ATOM 59 CG LEU A 4 82.929 9.506 4.721 1.00 0.00 C ATOM 60 CD1 LEU A 4 82.585 8.363 3.753 1.00 0.00 C ATOM 61 CD2 LEU A 4 82.786 10.862 4.019 1.00 0.00 C ATOM 0 H LEU A 4 84.337 11.196 6.265 1.00 0.00 H new ATOM 0 HA LEU A 4 82.239 10.087 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 4 81.751 8.431 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 4 81.184 10.060 5.870 1.00 0.00 H new ATOM 0 HG LEU A 4 83.968 9.380 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 4 83.210 8.439 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.765 7.406 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.536 8.433 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 4 83.399 10.872 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 4 81.742 11.024 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 4 83.115 11.656 4.690 1.00 0.00 H new ATOM 73 N THR A 5 83.909 8.494 8.831 1.00 0.00 N ATOM 74 CA THR A 5 84.980 7.660 9.363 1.00 0.00 C ATOM 75 C THR A 5 84.937 6.287 8.701 1.00 0.00 C ATOM 76 O THR A 5 83.894 5.633 8.680 1.00 0.00 O ATOM 77 CB THR A 5 84.829 7.530 10.886 1.00 0.00 C ATOM 78 OG1 THR A 5 83.569 8.063 11.265 1.00 0.00 O ATOM 79 CG2 THR A 5 85.934 8.295 11.621 1.00 0.00 C ATOM 0 H THR A 5 83.137 8.670 9.475 1.00 0.00 H new ATOM 0 HA THR A 5 85.943 8.122 9.148 1.00 0.00 H new ATOM 0 HB THR A 5 84.904 6.476 11.155 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.459 7.984 12.236 1.00 0.00 H new ATOM 0 HG21 THR A 5 85.800 8.184 12.697 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.906 7.895 11.333 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.883 9.351 11.356 1.00 0.00 H new ATOM 87 N GLN A 6 86.104 5.801 8.287 1.00 0.00 N ATOM 88 CA GLN A 6 86.213 4.490 7.656 1.00 0.00 C ATOM 89 C GLN A 6 87.541 3.832 8.028 1.00 0.00 C ATOM 90 O GLN A 6 88.538 4.530 8.207 1.00 0.00 O ATOM 91 CB GLN A 6 86.111 4.654 6.135 1.00 0.00 C ATOM 92 CG GLN A 6 84.647 4.751 5.675 1.00 0.00 C ATOM 93 CD GLN A 6 84.267 3.574 4.781 1.00 0.00 C ATOM 94 OE1 GLN A 6 84.605 2.428 5.075 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.754 3.816 3.608 1.00 0.00 N ATOM 0 H GLN A 6 86.990 6.298 8.378 1.00 0.00 H new ATOM 0 HA GLN A 6 85.403 3.851 8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.650 5.550 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 6 86.592 3.808 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 6 83.991 4.776 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.495 5.685 5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.472 4.765 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.634 3.057 2.937 1.00 0.00 H new ATOM 104 N PRO A 7 87.632 2.530 7.941 1.00 0.00 N ATOM 105 CA PRO A 7 88.887 1.797 8.273 1.00 0.00 C ATOM 106 C PRO A 7 90.067 2.309 7.451 1.00 0.00 C ATOM 107 O PRO A 7 89.890 3.147 6.567 1.00 0.00 O ATOM 108 CB PRO A 7 88.580 0.324 7.961 1.00 0.00 C ATOM 109 CG PRO A 7 87.164 0.252 7.481 1.00 0.00 C ATOM 110 CD PRO A 7 86.503 1.600 7.777 1.00 0.00 C ATOM 0 HA PRO A 7 89.177 1.939 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.262 -0.057 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 7 88.716 -0.293 8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.133 0.037 6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 7 86.630 -0.554 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.848 1.909 6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.891 1.554 8.678 1.00 0.00 H new ATOM 118 N HIS A 8 91.274 1.895 7.824 1.00 0.00 N ATOM 119 CA HIS A 8 92.477 2.312 7.110 1.00 0.00 C ATOM 120 C HIS A 8 92.713 1.446 5.875 1.00 0.00 C ATOM 121 O HIS A 8 92.552 1.908 4.745 1.00 0.00 O ATOM 122 CB HIS A 8 93.682 2.234 8.056 1.00 0.00 C ATOM 123 CG HIS A 8 93.499 1.115 9.047 1.00 0.00 C ATOM 124 ND1 HIS A 8 92.723 -0.002 8.782 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.937 0.962 10.341 1.00 0.00 C ATOM 126 CE1 HIS A 8 92.773 -0.802 9.860 1.00 0.00 C ATOM 127 NE2 HIS A 8 93.478 -0.250 10.850 1.00 0.00 N ATOM 0 H HIS A 8 91.445 1.273 8.614 1.00 0.00 H new ATOM 0 HA HIS A 8 92.345 3.340 6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.594 2.074 7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.800 3.180 8.584 1.00 0.00 H new ATOM 0 HD2 HIS A 8 94.545 1.673 10.881 1.00 0.00 H new ATOM 0 HE1 HIS A 8 92.301 -1.772 9.918 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.645 -0.634 11.780 1.00 0.00 H new ATOM 135 N SER A 9 93.012 0.170 6.098 1.00 0.00 N ATOM 136 CA SER A 9 93.302 -0.752 5.007 1.00 0.00 C ATOM 137 C SER A 9 93.242 -2.189 5.513 1.00 0.00 C ATOM 138 O SER A 9 93.290 -2.433 6.718 1.00 0.00 O ATOM 139 CB SER A 9 94.692 -0.469 4.433 1.00 0.00 C ATOM 140 OG SER A 9 94.825 0.924 4.192 1.00 0.00 O ATOM 0 H SER A 9 93.060 -0.249 7.027 1.00 0.00 H new ATOM 0 HA SER A 9 92.557 -0.613 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.461 -0.804 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 9 94.836 -1.025 3.507 1.00 0.00 H new ATOM 0 HG SER A 9 93.937 1.324 4.087 1.00 0.00 H new ATOM 146 N VAL A 10 93.134 -3.134 4.585 1.00 0.00 N ATOM 147 CA VAL A 10 93.076 -4.543 4.950 1.00 0.00 C ATOM 148 C VAL A 10 93.313 -5.424 3.728 1.00 0.00 C ATOM 149 O VAL A 10 92.933 -5.074 2.612 1.00 0.00 O ATOM 150 CB VAL A 10 91.716 -4.845 5.584 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.593 -4.504 4.599 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.632 -6.328 5.958 1.00 0.00 C ATOM 0 H VAL A 10 93.085 -2.951 3.583 1.00 0.00 H new ATOM 0 HA VAL A 10 93.862 -4.761 5.673 1.00 0.00 H new ATOM 0 HB VAL A 10 91.605 -4.239 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.628 -4.722 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.643 -3.446 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.708 -5.102 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.661 -6.535 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.753 -6.937 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.421 -6.569 6.670 1.00 0.00 H new ATOM 162 N SER A 11 93.885 -6.602 3.965 1.00 0.00 N ATOM 163 CA SER A 11 94.144 -7.571 2.906 1.00 0.00 C ATOM 164 C SER A 11 93.618 -8.945 3.311 1.00 0.00 C ATOM 165 O SER A 11 93.991 -9.473 4.359 1.00 0.00 O ATOM 166 CB SER A 11 95.650 -7.654 2.648 1.00 0.00 C ATOM 167 OG SER A 11 96.304 -8.152 3.806 1.00 0.00 O ATOM 0 H SER A 11 94.180 -6.910 4.892 1.00 0.00 H new ATOM 0 HA SER A 11 93.634 -7.250 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.848 -8.306 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.040 -6.669 2.393 1.00 0.00 H new ATOM 0 HG SER A 11 95.668 -8.667 4.345 1.00 0.00 H new ATOM 173 N GLU A 12 92.820 -9.556 2.438 1.00 0.00 N ATOM 174 CA GLU A 12 92.240 -10.870 2.704 1.00 0.00 C ATOM 175 C GLU A 12 92.717 -11.863 1.649 1.00 0.00 C ATOM 176 O GLU A 12 93.358 -11.481 0.669 1.00 0.00 O ATOM 177 CB GLU A 12 90.707 -10.770 2.680 1.00 0.00 C ATOM 178 CG GLU A 12 90.126 -10.878 4.092 1.00 0.00 C ATOM 179 CD GLU A 12 90.576 -9.684 4.926 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.194 -8.576 4.591 1.00 0.00 O ATOM 181 OE2 GLU A 12 91.332 -9.892 5.861 1.00 0.00 O ATOM 0 H GLU A 12 92.559 -9.159 1.535 1.00 0.00 H new ATOM 0 HA GLU A 12 92.558 -11.217 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.408 -9.822 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.297 -11.562 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 12 89.038 -10.912 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.454 -11.806 4.561 1.00 0.00 H new ATOM 188 N SER A 13 92.571 -13.148 1.957 1.00 0.00 N ATOM 189 CA SER A 13 93.010 -14.208 1.057 1.00 0.00 C ATOM 190 C SER A 13 91.838 -14.716 0.221 1.00 0.00 C ATOM 191 O SER A 13 90.711 -14.774 0.714 1.00 0.00 O ATOM 192 CB SER A 13 93.591 -15.360 1.879 1.00 0.00 C ATOM 193 OG SER A 13 94.423 -14.825 2.898 1.00 0.00 O ATOM 0 H SER A 13 92.151 -13.480 2.825 1.00 0.00 H new ATOM 0 HA SER A 13 93.772 -13.811 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.788 -15.951 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 13 94.164 -16.029 1.237 1.00 0.00 H new ATOM 0 HG SER A 13 94.799 -15.556 3.431 1.00 0.00 H new ATOM 199 N PRO A 14 92.060 -15.128 -0.999 1.00 0.00 N ATOM 200 CA PRO A 14 90.950 -15.590 -1.878 1.00 0.00 C ATOM 201 C PRO A 14 90.173 -16.732 -1.228 1.00 0.00 C ATOM 202 O PRO A 14 90.733 -17.793 -0.949 1.00 0.00 O ATOM 203 CB PRO A 14 91.629 -16.026 -3.185 1.00 0.00 C ATOM 204 CG PRO A 14 93.104 -15.835 -3.016 1.00 0.00 C ATOM 205 CD PRO A 14 93.343 -15.056 -1.719 1.00 0.00 C ATOM 0 HA PRO A 14 90.214 -14.807 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.401 -17.069 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.260 -15.435 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.610 -16.800 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.516 -15.292 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.150 -15.497 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.625 -14.023 -1.923 1.00 0.00 H new ATOM 213 N GLY A 15 88.878 -16.519 -1.008 1.00 0.00 N ATOM 214 CA GLY A 15 88.014 -17.536 -0.415 1.00 0.00 C ATOM 215 C GLY A 15 87.579 -17.134 0.990 1.00 0.00 C ATOM 216 O GLY A 15 87.064 -17.960 1.744 1.00 0.00 O ATOM 0 H GLY A 15 88.402 -15.646 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.135 -17.683 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.542 -18.489 -0.377 1.00 0.00 H new ATOM 220 N LYS A 16 87.951 -15.924 1.398 1.00 0.00 N ATOM 221 CA LYS A 16 87.577 -15.404 2.711 1.00 0.00 C ATOM 222 C LYS A 16 86.414 -14.422 2.605 1.00 0.00 C ATOM 223 O LYS A 16 85.828 -14.245 1.538 1.00 0.00 O ATOM 224 CB LYS A 16 88.787 -14.711 3.346 1.00 0.00 C ATOM 225 CG LYS A 16 89.735 -15.744 3.961 1.00 0.00 C ATOM 226 CD LYS A 16 90.856 -15.022 4.713 1.00 0.00 C ATOM 227 CE LYS A 16 91.803 -16.052 5.331 1.00 0.00 C ATOM 228 NZ LYS A 16 91.046 -16.893 6.300 1.00 0.00 N ATOM 0 H LYS A 16 88.513 -15.283 0.837 1.00 0.00 H new ATOM 0 HA LYS A 16 87.257 -16.238 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.316 -14.127 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.452 -14.013 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 16 89.188 -16.397 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 16 90.156 -16.378 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.404 -14.371 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.435 -14.386 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 16 92.239 -16.677 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 16 92.628 -15.549 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.712 -17.362 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 90.397 -16.293 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 90.500 -17.612 5.783 1.00 0.00 H new ATOM 242 N THR A 17 86.094 -13.782 3.727 1.00 0.00 N ATOM 243 CA THR A 17 85.018 -12.798 3.794 1.00 0.00 C ATOM 244 C THR A 17 85.534 -11.489 4.385 1.00 0.00 C ATOM 245 O THR A 17 86.404 -11.494 5.256 1.00 0.00 O ATOM 246 CB THR A 17 83.882 -13.334 4.667 1.00 0.00 C ATOM 247 OG1 THR A 17 84.421 -13.864 5.870 1.00 0.00 O ATOM 248 CG2 THR A 17 83.129 -14.437 3.918 1.00 0.00 C ATOM 0 H THR A 17 86.573 -13.931 4.615 1.00 0.00 H new ATOM 0 HA THR A 17 84.650 -12.613 2.785 1.00 0.00 H new ATOM 0 HB THR A 17 83.193 -12.522 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.694 -14.206 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.321 -14.816 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.714 -14.032 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.815 -15.250 3.681 1.00 0.00 H new ATOM 256 N VAL A 18 85.004 -10.372 3.896 1.00 0.00 N ATOM 257 CA VAL A 18 85.390 -9.054 4.392 1.00 0.00 C ATOM 258 C VAL A 18 84.174 -8.141 4.499 1.00 0.00 C ATOM 259 O VAL A 18 83.291 -8.165 3.641 1.00 0.00 O ATOM 260 CB VAL A 18 86.421 -8.423 3.455 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.765 -8.102 2.111 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.949 -7.131 4.083 1.00 0.00 C ATOM 0 H VAL A 18 84.304 -10.353 3.154 1.00 0.00 H new ATOM 0 HA VAL A 18 85.826 -9.176 5.383 1.00 0.00 H new ATOM 0 HB VAL A 18 87.244 -9.120 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.501 -7.652 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.384 -9.020 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.942 -7.404 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.684 -6.678 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.123 -6.437 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.417 -7.357 5.041 1.00 0.00 H new ATOM 272 N THR A 19 84.147 -7.328 5.551 1.00 0.00 N ATOM 273 CA THR A 19 83.066 -6.375 5.786 1.00 0.00 C ATOM 274 C THR A 19 83.663 -4.975 5.893 1.00 0.00 C ATOM 275 O THR A 19 84.540 -4.730 6.722 1.00 0.00 O ATOM 276 CB THR A 19 82.352 -6.768 7.087 1.00 0.00 C ATOM 277 OG1 THR A 19 81.309 -7.684 6.790 1.00 0.00 O ATOM 278 CG2 THR A 19 81.762 -5.568 7.836 1.00 0.00 C ATOM 0 H THR A 19 84.875 -7.311 6.266 1.00 0.00 H new ATOM 0 HA THR A 19 82.346 -6.385 4.968 1.00 0.00 H new ATOM 0 HB THR A 19 83.102 -7.219 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.946 -8.048 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.271 -5.913 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.560 -4.873 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.034 -5.064 7.200 1.00 0.00 H new ATOM 286 N ILE A 20 83.090 -4.035 5.149 1.00 0.00 N ATOM 287 CA ILE A 20 83.542 -2.648 5.176 1.00 0.00 C ATOM 288 C ILE A 20 82.562 -1.811 5.992 1.00 0.00 C ATOM 289 O ILE A 20 81.346 -1.971 5.874 1.00 0.00 O ATOM 290 CB ILE A 20 83.630 -2.085 3.754 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.330 -3.061 2.801 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.373 -0.746 3.771 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.848 -3.062 2.999 1.00 0.00 C ATOM 0 H ILE A 20 82.308 -4.209 4.517 1.00 0.00 H new ATOM 0 HA ILE A 20 84.532 -2.610 5.631 1.00 0.00 H new ATOM 0 HB ILE A 20 82.614 -1.936 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.942 -4.067 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.098 -2.791 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.433 -0.350 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.836 -0.040 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.379 -0.893 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.305 -3.767 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.240 -2.062 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 20 86.081 -3.358 4.022 1.00 0.00 H new ATOM 305 N SER A 21 83.098 -0.953 6.855 1.00 0.00 N ATOM 306 CA SER A 21 82.281 -0.091 7.704 1.00 0.00 C ATOM 307 C SER A 21 82.337 1.347 7.195 1.00 0.00 C ATOM 308 O SER A 21 83.419 1.923 7.084 1.00 0.00 O ATOM 309 CB SER A 21 82.804 -0.156 9.142 1.00 0.00 C ATOM 310 OG SER A 21 83.133 -1.499 9.469 1.00 0.00 O ATOM 0 H SER A 21 84.103 -0.836 6.985 1.00 0.00 H new ATOM 0 HA SER A 21 81.246 -0.432 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.682 0.481 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.050 0.223 9.832 1.00 0.00 H new ATOM 0 HG SER A 21 83.469 -1.539 10.389 1.00 0.00 H new ATOM 316 N CYS A 22 81.169 1.958 7.002 1.00 0.00 N ATOM 317 CA CYS A 22 81.079 3.340 6.531 1.00 0.00 C ATOM 318 C CYS A 22 80.366 4.184 7.583 1.00 0.00 C ATOM 319 O CYS A 22 79.308 3.794 8.076 1.00 0.00 O ATOM 320 CB CYS A 22 80.330 3.420 5.193 1.00 0.00 C ATOM 321 SG CYS A 22 80.167 5.139 4.633 1.00 0.00 S ATOM 0 H CYS A 22 80.265 1.514 7.166 1.00 0.00 H new ATOM 0 HA CYS A 22 82.087 3.723 6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.862 2.839 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.341 2.974 5.300 1.00 0.00 H new ATOM 326 N THR A 23 81.035 5.227 8.072 1.00 0.00 N ATOM 327 CA THR A 23 80.447 6.072 9.107 1.00 0.00 C ATOM 328 C THR A 23 80.498 7.504 8.606 1.00 0.00 C ATOM 329 O THR A 23 81.595 8.027 8.431 1.00 0.00 O ATOM 330 CB THR A 23 81.237 5.976 10.414 1.00 0.00 C ATOM 331 OG1 THR A 23 81.194 4.641 10.895 1.00 0.00 O ATOM 332 CG2 THR A 23 80.646 6.914 11.472 1.00 0.00 C ATOM 0 H THR A 23 81.970 5.504 7.773 1.00 0.00 H new ATOM 0 HA THR A 23 79.425 5.748 9.305 1.00 0.00 H new ATOM 0 HB THR A 23 82.269 6.270 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.701 4.578 11.731 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.222 6.831 12.394 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.686 7.941 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.610 6.637 11.665 1.00 0.00 H new ATOM 340 N ARG A 24 79.374 8.205 8.696 1.00 0.00 N ATOM 341 CA ARG A 24 79.397 9.639 8.442 1.00 0.00 C ATOM 342 C ARG A 24 79.874 10.370 9.691 1.00 0.00 C ATOM 343 O ARG A 24 79.282 10.212 10.759 1.00 0.00 O ATOM 344 CB ARG A 24 78.024 10.128 7.968 1.00 0.00 C ATOM 345 CG ARG A 24 78.174 11.181 6.864 1.00 0.00 C ATOM 346 CD ARG A 24 76.804 11.501 6.268 1.00 0.00 C ATOM 347 NE ARG A 24 75.942 12.106 7.274 1.00 0.00 N ATOM 348 CZ ARG A 24 74.643 12.259 7.047 1.00 0.00 C ATOM 349 NH1 ARG A 24 74.077 11.593 6.079 1.00 0.00 N ATOM 350 NH2 ARG A 24 73.929 13.032 7.816 1.00 0.00 N ATOM 0 H ARG A 24 78.461 7.818 8.936 1.00 0.00 H new ATOM 0 HA ARG A 24 80.100 9.857 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.441 9.285 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.473 10.551 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.625 12.086 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.843 10.813 6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.918 12.179 5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.344 10.589 5.887 1.00 0.00 H new ATOM 0 HE ARG A 24 76.340 12.415 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 24 74.632 10.960 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 24 73.079 11.705 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 24 74.368 13.522 8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 24 72.931 13.147 7.638 1.00 0.00 H new ATOM 364 N SER A 25 80.788 11.319 9.507 1.00 0.00 N ATOM 365 CA SER A 25 81.221 12.165 10.619 1.00 0.00 C ATOM 366 C SER A 25 80.039 12.863 11.283 1.00 0.00 C ATOM 367 O SER A 25 80.217 13.858 11.986 1.00 0.00 O ATOM 368 CB SER A 25 82.275 13.200 10.230 1.00 0.00 C ATOM 369 OG SER A 25 81.694 14.150 9.353 1.00 0.00 O ATOM 0 H SER A 25 81.238 11.521 8.614 1.00 0.00 H new ATOM 0 HA SER A 25 81.688 11.483 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.660 13.697 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 25 83.121 12.711 9.747 1.00 0.00 H new ATOM 0 HG SER A 25 81.813 13.855 8.426 1.00 0.00 H new ATOM 375 N SER A 26 78.857 12.557 10.760 1.00 0.00 N ATOM 376 CA SER A 26 77.624 13.237 11.133 1.00 0.00 C ATOM 377 C SER A 26 76.782 12.342 12.039 1.00 0.00 C ATOM 378 O SER A 26 75.914 12.821 12.769 1.00 0.00 O ATOM 379 CB SER A 26 76.875 13.565 9.837 1.00 0.00 C ATOM 380 OG SER A 26 76.433 14.913 9.877 1.00 0.00 O ATOM 0 H SER A 26 78.727 11.826 10.061 1.00 0.00 H new ATOM 0 HA SER A 26 77.835 14.152 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.527 13.410 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.024 12.895 9.716 1.00 0.00 H new ATOM 0 HG SER A 26 75.955 15.125 9.048 1.00 0.00 H new ATOM 386 N GLY A 27 77.087 11.048 12.025 1.00 0.00 N ATOM 387 CA GLY A 27 76.379 10.088 12.864 1.00 0.00 C ATOM 388 C GLY A 27 75.026 9.707 12.270 1.00 0.00 C ATOM 389 O GLY A 27 74.162 9.189 12.978 1.00 0.00 O ATOM 0 H GLY A 27 77.819 10.641 11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.988 9.192 12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.234 10.511 13.858 1.00 0.00 H new ATOM 393 N SER A 28 74.856 9.908 10.965 1.00 0.00 N ATOM 394 CA SER A 28 73.602 9.576 10.290 1.00 0.00 C ATOM 395 C SER A 28 73.849 8.649 9.103 1.00 0.00 C ATOM 396 O SER A 28 74.507 9.028 8.134 1.00 0.00 O ATOM 397 CB SER A 28 72.908 10.857 9.817 1.00 0.00 C ATOM 398 OG SER A 28 71.514 10.749 10.065 1.00 0.00 O ATOM 0 H SER A 28 75.572 10.300 10.353 1.00 0.00 H new ATOM 0 HA SER A 28 72.958 9.058 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.317 11.721 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 28 73.090 11.012 8.754 1.00 0.00 H new ATOM 0 HG SER A 28 71.064 11.567 9.766 1.00 0.00 H new ATOM 404 N ILE A 29 73.397 7.405 9.225 1.00 0.00 N ATOM 405 CA ILE A 29 73.611 6.390 8.199 1.00 0.00 C ATOM 406 C ILE A 29 72.340 5.592 7.922 1.00 0.00 C ATOM 407 O ILE A 29 71.751 5.705 6.847 1.00 0.00 O ATOM 408 CB ILE A 29 74.696 5.417 8.667 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.464 5.024 10.140 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.089 6.034 8.471 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.954 3.589 10.311 1.00 0.00 C ATOM 0 H ILE A 29 72.874 7.073 10.035 1.00 0.00 H new ATOM 0 HA ILE A 29 73.910 6.902 7.284 1.00 0.00 H new ATOM 0 HB ILE A 29 74.641 4.511 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.398 5.139 10.691 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.745 5.713 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.850 5.330 8.808 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.243 6.256 7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.164 6.954 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.812 3.377 11.371 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.005 3.475 9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.682 2.892 9.896 1.00 0.00 H new ATOM 423 N ALA A 30 71.877 4.865 8.934 1.00 0.00 N ATOM 424 CA ALA A 30 70.680 4.046 8.776 1.00 0.00 C ATOM 425 C ALA A 30 69.510 4.980 8.507 1.00 0.00 C ATOM 426 O ALA A 30 68.357 4.562 8.392 1.00 0.00 O ATOM 427 CB ALA A 30 70.394 3.266 10.061 1.00 0.00 C ATOM 0 H ALA A 30 72.305 4.826 9.859 1.00 0.00 H new ATOM 0 HA ALA A 30 70.824 3.340 7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.498 2.660 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.240 2.618 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.240 3.964 10.884 1.00 0.00 H new ATOM 433 N SER A 31 69.856 6.262 8.479 1.00 0.00 N ATOM 434 CA SER A 31 68.871 7.321 8.269 1.00 0.00 C ATOM 435 C SER A 31 69.035 7.961 6.893 1.00 0.00 C ATOM 436 O SER A 31 68.046 8.318 6.253 1.00 0.00 O ATOM 437 CB SER A 31 68.985 8.400 9.349 1.00 0.00 C ATOM 438 OG SER A 31 68.480 7.903 10.580 1.00 0.00 O ATOM 0 H SER A 31 70.812 6.595 8.599 1.00 0.00 H new ATOM 0 HA SER A 31 67.885 6.861 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.026 8.701 9.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.429 9.288 9.049 1.00 0.00 H new ATOM 0 HG SER A 31 68.556 8.596 11.269 1.00 0.00 H new ATOM 444 N ASN A 32 70.262 7.969 6.379 1.00 0.00 N ATOM 445 CA ASN A 32 70.544 8.611 5.098 1.00 0.00 C ATOM 446 C ASN A 32 71.018 7.561 4.101 1.00 0.00 C ATOM 447 O ASN A 32 71.484 6.489 4.488 1.00 0.00 O ATOM 448 CB ASN A 32 71.644 9.664 5.260 1.00 0.00 C ATOM 449 CG ASN A 32 71.167 10.796 6.163 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.540 11.952 5.964 1.00 0.00 O ATOM 451 ND2 ASN A 32 70.378 10.530 7.167 1.00 0.00 N ATOM 0 H ASN A 32 71.073 7.541 6.826 1.00 0.00 H new ATOM 0 HA ASN A 32 69.633 9.091 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.537 9.204 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 32 71.922 10.061 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 32 70.071 11.280 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 32 70.068 9.572 7.333 1.00 0.00 H new ATOM 458 N TYR A 33 70.826 7.848 2.817 1.00 0.00 N ATOM 459 CA TYR A 33 71.137 6.879 1.773 1.00 0.00 C ATOM 460 C TYR A 33 72.647 6.758 1.610 1.00 0.00 C ATOM 461 O TYR A 33 73.343 7.757 1.429 1.00 0.00 O ATOM 462 CB TYR A 33 70.516 7.322 0.447 1.00 0.00 C ATOM 463 CG TYR A 33 69.011 7.367 0.576 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.274 6.177 0.582 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.353 8.597 0.698 1.00 0.00 C ATOM 466 CE1 TYR A 33 66.880 6.218 0.715 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.959 8.640 0.817 1.00 0.00 C ATOM 468 CZ TYR A 33 66.222 7.450 0.816 1.00 0.00 C ATOM 469 OH TYR A 33 64.849 7.489 0.951 1.00 0.00 O ATOM 0 H TYR A 33 70.459 8.737 2.477 1.00 0.00 H new ATOM 0 HA TYR A 33 70.725 5.911 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.896 8.305 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.802 6.632 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.780 5.228 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.922 9.515 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.313 5.299 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.453 9.590 0.909 1.00 0.00 H new ATOM 0 HH TYR A 33 64.552 8.421 1.009 1.00 0.00 H new ATOM 479 N VAL A 34 73.151 5.532 1.709 1.00 0.00 N ATOM 480 CA VAL A 34 74.582 5.268 1.604 1.00 0.00 C ATOM 481 C VAL A 34 74.875 4.310 0.459 1.00 0.00 C ATOM 482 O VAL A 34 73.983 3.614 -0.026 1.00 0.00 O ATOM 483 CB VAL A 34 75.100 4.660 2.910 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.630 4.692 2.926 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.563 5.457 4.100 1.00 0.00 C ATOM 0 H VAL A 34 72.584 4.699 1.863 1.00 0.00 H new ATOM 0 HA VAL A 34 75.086 6.215 1.411 1.00 0.00 H new ATOM 0 HB VAL A 34 74.759 3.627 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 34 76.993 4.258 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.015 4.117 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 34 76.973 5.724 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 34 74.934 5.021 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 34 74.898 6.492 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.473 5.427 4.096 1.00 0.00 H new ATOM 495 N GLN A 35 76.044 4.500 -0.142 1.00 0.00 N ATOM 496 CA GLN A 35 76.408 3.778 -1.354 1.00 0.00 C ATOM 497 C GLN A 35 77.887 3.409 -1.327 1.00 0.00 C ATOM 498 O GLN A 35 78.664 3.964 -0.550 1.00 0.00 O ATOM 499 CB GLN A 35 76.098 4.642 -2.581 1.00 0.00 C ATOM 500 CG GLN A 35 76.226 6.127 -2.236 1.00 0.00 C ATOM 501 CD GLN A 35 74.986 6.611 -1.492 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.087 7.453 -0.600 1.00 0.00 O ATOM 503 NE2 GLN A 35 73.810 6.183 -1.860 1.00 0.00 N ATOM 0 H GLN A 35 76.757 5.149 0.191 1.00 0.00 H new ATOM 0 HA GLN A 35 75.825 2.858 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.781 4.391 -3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.090 4.431 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.112 6.289 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.360 6.708 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 35 73.730 5.485 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 35 72.971 6.546 -1.408 1.00 0.00 H new ATOM 512 N TRP A 36 78.247 2.426 -2.147 1.00 0.00 N ATOM 513 CA TRP A 36 79.625 1.951 -2.221 1.00 0.00 C ATOM 514 C TRP A 36 80.174 2.137 -3.631 1.00 0.00 C ATOM 515 O TRP A 36 79.570 1.699 -4.610 1.00 0.00 O ATOM 516 CB TRP A 36 79.674 0.469 -1.847 1.00 0.00 C ATOM 517 CG TRP A 36 79.118 0.289 -0.470 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.836 -0.031 -0.182 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.796 0.457 0.810 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.697 -0.132 1.189 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.871 0.173 1.847 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.116 0.774 1.168 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.249 0.215 3.194 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.478 0.865 2.518 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.587 0.463 3.520 1.00 0.00 C ATOM 0 H TRP A 36 77.602 1.942 -2.771 1.00 0.00 H new ATOM 0 HA TRP A 36 80.235 2.527 -1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 36 79.099 -0.118 -2.563 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.701 0.105 -1.888 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.049 -0.183 -0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.832 -0.400 1.658 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.855 0.948 0.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.517 0.058 3.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.451 1.248 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.930 0.345 4.537 1.00 0.00 H new ATOM 536 N TYR A 37 81.320 2.804 -3.720 1.00 0.00 N ATOM 537 CA TYR A 37 81.990 3.035 -4.996 1.00 0.00 C ATOM 538 C TYR A 37 83.243 2.169 -5.088 1.00 0.00 C ATOM 539 O TYR A 37 83.853 1.832 -4.074 1.00 0.00 O ATOM 540 CB TYR A 37 82.343 4.523 -5.115 1.00 0.00 C ATOM 541 CG TYR A 37 81.310 5.259 -5.938 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.450 5.334 -7.329 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.235 5.892 -5.304 1.00 0.00 C ATOM 544 CE1 TYR A 37 80.485 6.003 -8.092 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.251 6.527 -6.070 1.00 0.00 C ATOM 546 CZ TYR A 37 79.398 6.618 -7.459 1.00 0.00 C ATOM 547 OH TYR A 37 78.449 7.284 -8.208 1.00 0.00 O ATOM 0 H TYR A 37 81.808 3.198 -2.916 1.00 0.00 H new ATOM 0 HA TYR A 37 81.329 2.762 -5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.405 4.967 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.325 4.632 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 37 82.301 4.877 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 37 80.165 5.890 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 37 80.579 6.045 -9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.379 6.946 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 37 77.794 6.642 -8.552 1.00 0.00 H new ATOM 557 N GLN A 38 83.586 1.772 -6.310 1.00 0.00 N ATOM 558 CA GLN A 38 84.741 0.913 -6.544 1.00 0.00 C ATOM 559 C GLN A 38 85.506 1.399 -7.772 1.00 0.00 C ATOM 560 O GLN A 38 84.938 1.521 -8.857 1.00 0.00 O ATOM 561 CB GLN A 38 84.252 -0.524 -6.761 1.00 0.00 C ATOM 562 CG GLN A 38 85.335 -1.536 -6.369 1.00 0.00 C ATOM 563 CD GLN A 38 85.206 -1.916 -4.897 1.00 0.00 C ATOM 564 OE1 GLN A 38 85.828 -1.299 -4.032 1.00 0.00 O ATOM 565 NE2 GLN A 38 84.304 -2.793 -4.554 1.00 0.00 N ATOM 0 H GLN A 38 83.078 2.033 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 38 85.409 0.946 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 38 83.353 -0.700 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 38 83.978 -0.665 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 38 85.249 -2.428 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 38 86.322 -1.112 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.790 -3.303 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 38 84.113 -2.969 -3.568 1.00 0.00 H new ATOM 574 N GLN A 39 86.824 1.514 -7.630 1.00 0.00 N ATOM 575 CA GLN A 39 87.690 1.915 -8.737 1.00 0.00 C ATOM 576 C GLN A 39 88.901 0.989 -8.806 1.00 0.00 C ATOM 577 O GLN A 39 89.432 0.575 -7.776 1.00 0.00 O ATOM 578 CB GLN A 39 88.094 3.388 -8.576 1.00 0.00 C ATOM 579 CG GLN A 39 89.489 3.567 -7.966 1.00 0.00 C ATOM 580 CD GLN A 39 90.574 3.360 -9.017 1.00 0.00 C ATOM 581 OE1 GLN A 39 91.763 3.420 -8.701 1.00 0.00 O ATOM 582 NE2 GLN A 39 90.233 3.060 -10.240 1.00 0.00 N ATOM 0 H GLN A 39 87.318 1.334 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 39 87.153 1.825 -9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 39 88.065 3.875 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 39 87.361 3.893 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 39 89.578 4.566 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.627 2.857 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 39 89.247 3.011 -10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.952 2.874 -10.939 1.00 0.00 H new ATOM 591 N ARG A 40 89.384 0.737 -10.019 1.00 0.00 N ATOM 592 CA ARG A 40 90.534 -0.141 -10.207 1.00 0.00 C ATOM 593 C ARG A 40 91.281 0.259 -11.478 1.00 0.00 C ATOM 594 O ARG A 40 90.790 1.092 -12.240 1.00 0.00 O ATOM 595 CB ARG A 40 90.054 -1.598 -10.242 1.00 0.00 C ATOM 596 CG ARG A 40 89.674 -2.043 -11.659 1.00 0.00 C ATOM 597 CD ARG A 40 89.123 -3.475 -11.668 1.00 0.00 C ATOM 598 NE ARG A 40 90.094 -4.371 -12.292 1.00 0.00 N ATOM 599 CZ ARG A 40 90.692 -5.347 -11.615 1.00 0.00 C ATOM 600 NH1 ARG A 40 90.802 -5.266 -10.317 1.00 0.00 N ATOM 601 NH2 ARG A 40 91.142 -6.398 -12.245 1.00 0.00 N ATOM 0 H ARG A 40 89.000 1.125 -10.881 1.00 0.00 H new ATOM 0 HA ARG A 40 91.234 -0.043 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 40 90.839 -2.248 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 40 89.193 -1.712 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.928 -1.362 -12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 40 90.548 -1.984 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 88.915 -3.801 -10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 40 88.180 -3.509 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 40 90.320 -4.244 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 40 90.430 -4.455 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 40 91.260 -6.014 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 40 91.035 -6.471 -13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 40 91.601 -7.146 -11.726 1.00 0.00 H new ATOM 658 N PRO A 45 85.910 4.719 -11.546 1.00 0.00 N ATOM 659 CA PRO A 45 85.034 4.534 -10.354 1.00 0.00 C ATOM 660 C PRO A 45 83.576 4.330 -10.758 1.00 0.00 C ATOM 661 O PRO A 45 83.077 4.992 -11.667 1.00 0.00 O ATOM 662 CB PRO A 45 85.220 5.813 -9.525 1.00 0.00 C ATOM 663 CG PRO A 45 86.122 6.719 -10.303 1.00 0.00 C ATOM 664 CD PRO A 45 86.802 5.880 -11.386 1.00 0.00 C ATOM 0 HA PRO A 45 85.301 3.643 -9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 45 84.260 6.294 -9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 45 85.654 5.581 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 45 85.552 7.533 -10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.865 7.173 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 45 86.904 6.437 -12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 45 87.804 5.575 -11.085 1.00 0.00 H new ATOM 672 N THR A 46 82.900 3.403 -10.085 1.00 0.00 N ATOM 673 CA THR A 46 81.505 3.104 -10.385 1.00 0.00 C ATOM 674 C THR A 46 80.774 2.654 -9.125 1.00 0.00 C ATOM 675 O THR A 46 81.357 2.007 -8.255 1.00 0.00 O ATOM 676 CB THR A 46 81.419 2.008 -11.451 1.00 0.00 C ATOM 677 OG1 THR A 46 80.085 1.917 -11.928 1.00 0.00 O ATOM 678 CG2 THR A 46 81.839 0.664 -10.851 1.00 0.00 C ATOM 0 H THR A 46 83.297 2.846 -9.328 1.00 0.00 H new ATOM 0 HA THR A 46 81.031 4.010 -10.763 1.00 0.00 H new ATOM 0 HB THR A 46 82.087 2.256 -12.276 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.029 1.217 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 46 81.775 -0.111 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 46 82.864 0.732 -10.488 1.00 0.00 H new ATOM 0 HG23 THR A 46 81.177 0.412 -10.023 1.00 0.00 H new ATOM 686 N THR A 47 79.513 3.054 -9.001 1.00 0.00 N ATOM 687 CA THR A 47 78.726 2.653 -7.842 1.00 0.00 C ATOM 688 C THR A 47 78.376 1.171 -7.938 1.00 0.00 C ATOM 689 O THR A 47 77.627 0.773 -8.830 1.00 0.00 O ATOM 690 CB THR A 47 77.453 3.504 -7.772 1.00 0.00 C ATOM 691 OG1 THR A 47 77.722 4.793 -8.305 1.00 0.00 O ATOM 692 CG2 THR A 47 76.991 3.650 -6.319 1.00 0.00 C ATOM 0 H THR A 47 79.022 3.643 -9.674 1.00 0.00 H new ATOM 0 HA THR A 47 79.307 2.811 -6.933 1.00 0.00 H new ATOM 0 HB THR A 47 76.668 3.015 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.547 5.145 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 47 76.086 4.257 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.783 2.664 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.774 4.133 -5.735 1.00 0.00 H new ATOM 700 N VAL A 48 78.700 0.414 -6.892 1.00 0.00 N ATOM 701 CA VAL A 48 78.427 -1.020 -6.903 1.00 0.00 C ATOM 702 C VAL A 48 77.091 -1.291 -6.215 1.00 0.00 C ATOM 703 O VAL A 48 76.380 -2.218 -6.602 1.00 0.00 O ATOM 704 CB VAL A 48 79.552 -1.759 -6.160 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.054 -3.076 -5.552 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.733 -2.063 -7.090 1.00 0.00 C ATOM 0 H VAL A 48 79.143 0.761 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 48 78.379 -1.375 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 48 79.882 -1.095 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.876 -3.571 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.251 -2.869 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.681 -3.724 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.510 -2.586 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.394 -2.690 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.135 -1.130 -7.485 1.00 0.00 H new ATOM 716 N ILE A 49 76.686 -0.420 -5.299 1.00 0.00 N ATOM 717 CA ILE A 49 75.393 -0.538 -4.642 1.00 0.00 C ATOM 718 C ILE A 49 74.864 0.870 -4.388 1.00 0.00 C ATOM 719 O ILE A 49 75.558 1.706 -3.807 1.00 0.00 O ATOM 720 CB ILE A 49 75.574 -1.344 -3.348 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.434 -2.842 -3.638 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.541 -0.934 -2.297 1.00 0.00 C ATOM 723 CD1 ILE A 49 75.874 -3.644 -2.411 1.00 0.00 C ATOM 0 H ILE A 49 77.240 0.380 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 49 74.665 -1.067 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 49 76.571 -1.136 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.400 -3.079 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.042 -3.114 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.692 -1.520 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.656 0.125 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.538 -1.114 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 49 75.774 -4.710 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 49 76.914 -3.415 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.247 -3.379 -1.559 1.00 0.00 H new ATOM 735 N TYR A 50 73.559 1.024 -4.581 1.00 0.00 N ATOM 736 CA TYR A 50 72.890 2.300 -4.356 1.00 0.00 C ATOM 737 C TYR A 50 71.698 2.089 -3.431 1.00 0.00 C ATOM 738 O TYR A 50 71.304 0.952 -3.172 1.00 0.00 O ATOM 739 CB TYR A 50 72.423 2.878 -5.694 1.00 0.00 C ATOM 740 CG TYR A 50 71.939 4.295 -5.496 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.845 5.356 -5.601 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.594 4.551 -5.198 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.410 6.672 -5.404 1.00 0.00 C ATOM 744 CE2 TYR A 50 70.166 5.864 -4.966 1.00 0.00 C ATOM 745 CZ TYR A 50 71.066 6.928 -5.108 1.00 0.00 C ATOM 746 OH TYR A 50 70.639 8.226 -4.915 1.00 0.00 O ATOM 0 H TYR A 50 72.940 0.276 -4.895 1.00 0.00 H new ATOM 0 HA TYR A 50 73.583 3.001 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.241 2.860 -6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.622 2.264 -6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.881 5.160 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.887 3.736 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 50 73.111 7.490 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 50 69.143 6.056 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 50 69.679 8.229 -4.719 1.00 0.00 H new ATOM 756 N GLU A 51 71.359 3.154 -2.713 1.00 0.00 N ATOM 757 CA GLU A 51 70.379 3.101 -1.635 1.00 0.00 C ATOM 758 C GLU A 51 70.749 2.035 -0.607 1.00 0.00 C ATOM 759 O GLU A 51 69.909 1.493 0.109 1.00 0.00 O ATOM 760 CB GLU A 51 69.042 2.742 -2.296 1.00 0.00 C ATOM 761 CG GLU A 51 67.949 2.515 -1.245 1.00 0.00 C ATOM 762 CD GLU A 51 66.595 2.982 -1.771 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.408 2.947 -2.976 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.786 3.413 -0.966 1.00 0.00 O ATOM 0 H GLU A 51 71.757 4.081 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 51 70.333 4.053 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.740 3.543 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.162 1.843 -2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.900 1.457 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.197 3.056 -0.332 1.00 0.00 H new ATOM 771 N ASP A 52 72.036 1.720 -0.579 1.00 0.00 N ATOM 772 CA ASP A 52 72.615 0.755 0.352 1.00 0.00 C ATOM 773 C ASP A 52 71.704 -0.464 0.426 1.00 0.00 C ATOM 774 O ASP A 52 71.935 -1.362 1.237 1.00 0.00 O ATOM 775 CB ASP A 52 72.715 1.353 1.758 1.00 0.00 C ATOM 776 CG ASP A 52 73.492 0.409 2.670 1.00 0.00 C ATOM 777 OD1 ASP A 52 74.314 -0.331 2.156 1.00 0.00 O ATOM 778 OD2 ASP A 52 73.338 0.523 3.875 1.00 0.00 O ATOM 0 H ASP A 52 72.721 2.133 -1.212 1.00 0.00 H new ATOM 0 HA ASP A 52 73.611 0.486 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.212 2.322 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.717 1.523 2.162 1.00 0.00 H new ATOM 783 N ASN A 53 70.845 -0.615 -0.577 1.00 0.00 N ATOM 784 CA ASN A 53 70.097 -1.846 -0.802 1.00 0.00 C ATOM 785 C ASN A 53 70.276 -2.293 -2.248 1.00 0.00 C ATOM 786 O ASN A 53 70.276 -3.484 -2.559 1.00 0.00 O ATOM 787 CB ASN A 53 68.636 -1.609 -0.390 1.00 0.00 C ATOM 788 CG ASN A 53 67.659 -1.760 -1.550 1.00 0.00 C ATOM 789 OD1 ASN A 53 66.899 -2.728 -1.588 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.568 -0.818 -2.448 1.00 0.00 N ATOM 0 H ASN A 53 70.648 0.117 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 53 70.470 -2.667 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.368 -2.313 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.541 -0.608 0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.866 -0.882 -3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.199 -0.018 -2.413 1.00 0.00 H new ATOM 797 N GLN A 54 70.120 -1.301 -3.119 1.00 0.00 N ATOM 798 CA GLN A 54 69.981 -1.541 -4.548 1.00 0.00 C ATOM 799 C GLN A 54 71.259 -2.194 -5.062 1.00 0.00 C ATOM 800 O GLN A 54 72.339 -1.625 -4.905 1.00 0.00 O ATOM 801 CB GLN A 54 69.741 -0.203 -5.256 1.00 0.00 C ATOM 802 CG GLN A 54 68.951 -0.393 -6.551 1.00 0.00 C ATOM 803 CD GLN A 54 69.747 -1.256 -7.522 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.184 -1.924 -8.389 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.048 -1.176 -7.486 1.00 0.00 N ATOM 0 H GLN A 54 70.087 -0.316 -2.855 1.00 0.00 H new ATOM 0 HA GLN A 54 69.138 -2.202 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 54 69.198 0.470 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 54 70.698 0.270 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 54 67.991 -0.863 -6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.738 0.576 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.505 -0.620 -6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.609 -1.670 -8.180 1.00 0.00 H new ATOM 814 N ARG A 55 71.163 -3.440 -5.518 1.00 0.00 N ATOM 815 CA ARG A 55 72.332 -4.160 -6.017 1.00 0.00 C ATOM 816 C ARG A 55 72.128 -4.523 -7.488 1.00 0.00 C ATOM 817 O ARG A 55 71.350 -5.431 -7.781 1.00 0.00 O ATOM 818 CB ARG A 55 72.530 -5.435 -5.194 1.00 0.00 C ATOM 819 CG ARG A 55 73.956 -5.961 -5.384 1.00 0.00 C ATOM 820 CD ARG A 55 74.209 -7.163 -4.471 1.00 0.00 C ATOM 821 NE ARG A 55 73.711 -8.381 -5.101 1.00 0.00 N ATOM 822 CZ ARG A 55 72.664 -9.045 -4.620 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.453 -8.693 -4.956 1.00 0.00 N ATOM 824 NH2 ARG A 55 72.848 -10.054 -3.814 1.00 0.00 N ATOM 0 H ARG A 55 70.292 -3.970 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 55 73.214 -3.526 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 55 72.346 -5.230 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.809 -6.193 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 55 74.109 -6.248 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.674 -5.171 -5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.276 -7.258 -4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.715 -7.012 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 55 74.180 -8.734 -5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.308 -7.907 -5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.652 -9.204 -4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.794 -10.333 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 55 72.046 -10.564 -3.444 1.00 0.00 H new ATOM 838 N PRO A 56 72.819 -3.905 -8.413 1.00 0.00 N ATOM 839 CA PRO A 56 72.706 -4.265 -9.856 1.00 0.00 C ATOM 840 C PRO A 56 73.285 -5.649 -10.136 1.00 0.00 C ATOM 841 O PRO A 56 74.332 -6.007 -9.598 1.00 0.00 O ATOM 842 CB PRO A 56 73.477 -3.174 -10.613 1.00 0.00 C ATOM 843 CG PRO A 56 73.903 -2.152 -9.606 1.00 0.00 C ATOM 844 CD PRO A 56 73.733 -2.769 -8.215 1.00 0.00 C ATOM 0 HA PRO A 56 71.664 -4.314 -10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.343 -3.598 -11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 56 72.848 -2.720 -11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.941 -1.862 -9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.300 -1.249 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.690 -3.098 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.319 -2.047 -7.511 1.00 0.00 H new ATOM 852 N SER A 57 72.708 -6.340 -11.114 1.00 0.00 N ATOM 853 CA SER A 57 73.238 -7.633 -11.531 1.00 0.00 C ATOM 854 C SER A 57 74.523 -7.462 -12.336 1.00 0.00 C ATOM 855 O SER A 57 75.279 -8.415 -12.526 1.00 0.00 O ATOM 856 CB SER A 57 72.200 -8.383 -12.368 1.00 0.00 C ATOM 857 OG SER A 57 71.906 -7.641 -13.543 1.00 0.00 O ATOM 0 H SER A 57 71.883 -6.031 -11.627 1.00 0.00 H new ATOM 0 HA SER A 57 73.465 -8.211 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.578 -9.370 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.291 -8.536 -11.786 1.00 0.00 H new ATOM 0 HG SER A 57 71.242 -8.125 -14.078 1.00 0.00 H new ATOM 863 N GLY A 58 74.733 -6.260 -12.863 1.00 0.00 N ATOM 864 CA GLY A 58 75.919 -5.989 -13.666 1.00 0.00 C ATOM 865 C GLY A 58 77.188 -6.150 -12.835 1.00 0.00 C ATOM 866 O GLY A 58 78.131 -6.822 -13.254 1.00 0.00 O ATOM 0 H GLY A 58 74.104 -5.465 -12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.949 -6.668 -14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.868 -4.977 -14.067 1.00 0.00 H new ATOM 870 N VAL A 59 77.190 -5.568 -11.639 1.00 0.00 N ATOM 871 CA VAL A 59 78.342 -5.656 -10.748 1.00 0.00 C ATOM 872 C VAL A 59 78.248 -6.915 -9.887 1.00 0.00 C ATOM 873 O VAL A 59 77.146 -7.334 -9.534 1.00 0.00 O ATOM 874 CB VAL A 59 78.405 -4.406 -9.865 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.178 -3.167 -10.736 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.334 -4.471 -8.772 1.00 0.00 C ATOM 0 H VAL A 59 76.408 -5.031 -11.265 1.00 0.00 H new ATOM 0 HA VAL A 59 79.253 -5.715 -11.343 1.00 0.00 H new ATOM 0 HB VAL A 59 79.384 -4.351 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.221 -2.273 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 59 78.951 -3.114 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.199 -3.231 -11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.391 -3.576 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.348 -4.531 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.500 -5.352 -8.152 1.00 0.00 H new ATOM 886 N PRO A 60 79.348 -7.511 -9.509 1.00 0.00 N ATOM 887 CA PRO A 60 79.325 -8.776 -8.721 1.00 0.00 C ATOM 888 C PRO A 60 78.430 -8.657 -7.489 1.00 0.00 C ATOM 889 O PRO A 60 78.604 -7.748 -6.678 1.00 0.00 O ATOM 890 CB PRO A 60 80.791 -9.027 -8.339 1.00 0.00 C ATOM 891 CG PRO A 60 81.613 -7.930 -8.940 1.00 0.00 C ATOM 892 CD PRO A 60 80.718 -7.139 -9.897 1.00 0.00 C ATOM 0 HA PRO A 60 78.908 -9.605 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 60 80.907 -9.041 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 60 81.121 -9.998 -8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.007 -7.278 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.469 -8.343 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.881 -6.066 -9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.921 -7.398 -10.936 1.00 0.00 H new ATOM 900 N ASP A 61 77.426 -9.526 -7.392 1.00 0.00 N ATOM 901 CA ASP A 61 76.550 -9.542 -6.226 1.00 0.00 C ATOM 902 C ASP A 61 77.329 -9.837 -4.948 1.00 0.00 C ATOM 903 O ASP A 61 76.735 -10.073 -3.895 1.00 0.00 O ATOM 904 CB ASP A 61 75.419 -10.558 -6.400 1.00 0.00 C ATOM 905 CG ASP A 61 75.989 -11.931 -6.731 1.00 0.00 C ATOM 906 OD1 ASP A 61 77.199 -12.036 -6.849 1.00 0.00 O ATOM 907 OD2 ASP A 61 75.205 -12.855 -6.868 1.00 0.00 O ATOM 0 H ASP A 61 77.201 -10.223 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 61 76.113 -8.548 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.827 -10.613 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 61 74.749 -10.233 -7.196 1.00 0.00 H new ATOM 912 N ARG A 62 78.641 -10.001 -5.083 1.00 0.00 N ATOM 913 CA ARG A 62 79.488 -10.381 -3.958 1.00 0.00 C ATOM 914 C ARG A 62 79.506 -9.299 -2.883 1.00 0.00 C ATOM 915 O ARG A 62 80.420 -9.249 -2.061 1.00 0.00 O ATOM 916 CB ARG A 62 80.916 -10.604 -4.460 1.00 0.00 C ATOM 917 CG ARG A 62 80.968 -11.851 -5.347 1.00 0.00 C ATOM 918 CD ARG A 62 82.228 -11.816 -6.214 1.00 0.00 C ATOM 919 NE ARG A 62 83.419 -11.757 -5.374 1.00 0.00 N ATOM 920 CZ ARG A 62 83.901 -10.596 -4.947 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.463 -9.778 -5.793 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.892 -10.316 -3.673 1.00 0.00 N ATOM 0 H ARG A 62 79.142 -9.876 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 62 79.084 -11.294 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.253 -9.733 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 62 81.594 -10.720 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.965 -12.749 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.081 -11.896 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.266 -12.701 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.198 -10.951 -6.876 1.00 0.00 H new ATOM 0 HE ARG A 62 83.890 -12.623 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 62 84.531 -10.031 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.835 -8.885 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.515 -10.989 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.262 -9.424 -3.344 1.00 0.00 H new ATOM 936 N PHE A 63 78.543 -8.384 -2.934 1.00 0.00 N ATOM 937 CA PHE A 63 78.482 -7.277 -1.986 1.00 0.00 C ATOM 938 C PHE A 63 77.208 -7.376 -1.158 1.00 0.00 C ATOM 939 O PHE A 63 76.141 -7.697 -1.683 1.00 0.00 O ATOM 940 CB PHE A 63 78.490 -5.941 -2.731 1.00 0.00 C ATOM 941 CG PHE A 63 79.855 -5.685 -3.325 1.00 0.00 C ATOM 942 CD1 PHE A 63 80.350 -6.524 -4.332 1.00 0.00 C ATOM 943 CD2 PHE A 63 80.598 -4.568 -2.921 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.601 -6.271 -4.906 1.00 0.00 C ATOM 945 CE2 PHE A 63 81.842 -4.305 -3.507 1.00 0.00 C ATOM 946 CZ PHE A 63 82.341 -5.154 -4.502 1.00 0.00 C ATOM 0 H PHE A 63 77.792 -8.388 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 63 79.352 -7.332 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.738 -5.951 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.225 -5.134 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 63 79.765 -7.368 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 63 80.211 -3.910 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.995 -6.937 -5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.417 -3.447 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.298 -4.947 -4.958 1.00 0.00 H new ATOM 956 N SER A 64 77.304 -7.001 0.114 1.00 0.00 N ATOM 957 CA SER A 64 76.129 -6.995 0.979 1.00 0.00 C ATOM 958 C SER A 64 76.020 -5.682 1.739 1.00 0.00 C ATOM 959 O SER A 64 76.700 -5.493 2.741 1.00 0.00 O ATOM 960 CB SER A 64 76.180 -8.171 1.957 1.00 0.00 C ATOM 961 OG SER A 64 74.872 -8.480 2.414 1.00 0.00 O ATOM 0 H SER A 64 78.169 -6.702 0.564 1.00 0.00 H new ATOM 0 HA SER A 64 75.245 -7.100 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.619 -9.041 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.821 -7.923 2.803 1.00 0.00 H new ATOM 0 HG SER A 64 74.913 -9.235 3.038 1.00 0.00 H new ATOM 967 N GLY A 65 74.872 -5.051 1.544 1.00 0.00 N ATOM 968 CA GLY A 65 74.561 -3.774 2.169 1.00 0.00 C ATOM 969 C GLY A 65 73.582 -3.969 3.321 1.00 0.00 C ATOM 970 O GLY A 65 72.568 -4.652 3.177 1.00 0.00 O ATOM 0 H GLY A 65 74.128 -5.411 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.476 -3.309 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.133 -3.096 1.431 1.00 0.00 H new ATOM 974 N SER A 66 73.950 -3.464 4.494 1.00 0.00 N ATOM 975 CA SER A 66 73.114 -3.632 5.678 1.00 0.00 C ATOM 976 C SER A 66 73.431 -2.577 6.733 1.00 0.00 C ATOM 977 O SER A 66 74.428 -1.862 6.637 1.00 0.00 O ATOM 978 CB SER A 66 73.331 -5.024 6.274 1.00 0.00 C ATOM 979 OG SER A 66 74.482 -5.012 7.106 1.00 0.00 O ATOM 0 H SER A 66 74.812 -2.941 4.650 1.00 0.00 H new ATOM 0 HA SER A 66 72.074 -3.516 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.456 -5.324 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.454 -5.757 5.477 1.00 0.00 H new ATOM 0 HG SER A 66 75.165 -4.431 6.711 1.00 0.00 H new ATOM 985 N ILE A 67 72.524 -2.436 7.695 1.00 0.00 N ATOM 986 CA ILE A 67 72.667 -1.448 8.758 1.00 0.00 C ATOM 987 C ILE A 67 72.132 -1.987 10.079 1.00 0.00 C ATOM 988 O ILE A 67 71.535 -3.063 10.120 1.00 0.00 O ATOM 989 CB ILE A 67 71.899 -0.172 8.398 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.436 -0.492 8.055 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.574 0.514 7.205 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.521 -0.355 9.276 1.00 0.00 C ATOM 0 H ILE A 67 71.676 -2.999 7.759 1.00 0.00 H new ATOM 0 HA ILE A 67 73.729 -1.226 8.866 1.00 0.00 H new ATOM 0 HB ILE A 67 71.911 0.495 9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.093 0.178 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.368 -1.507 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.027 1.422 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.601 0.771 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.575 -0.162 6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.496 -0.590 8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.848 -1.044 10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.568 0.667 9.653 1.00 0.00 H new ATOM 1004 N ASP A 68 72.545 -1.350 11.170 1.00 0.00 N ATOM 1005 CA ASP A 68 72.055 -1.702 12.500 1.00 0.00 C ATOM 1006 C ASP A 68 70.948 -0.757 12.961 1.00 0.00 C ATOM 1007 O ASP A 68 70.645 0.234 12.297 1.00 0.00 O ATOM 1008 CB ASP A 68 73.227 -1.681 13.487 1.00 0.00 C ATOM 1009 CG ASP A 68 74.044 -2.963 13.354 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.923 -3.610 12.327 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.633 -3.366 14.343 1.00 0.00 O ATOM 0 H ASP A 68 73.220 -0.585 11.160 1.00 0.00 H new ATOM 0 HA ASP A 68 71.625 -2.703 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.860 -0.815 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.853 -1.582 14.506 1.00 0.00 H new ATOM 1016 N SER A 69 70.425 -1.016 14.157 1.00 0.00 N ATOM 1017 CA SER A 69 69.390 -0.174 14.747 1.00 0.00 C ATOM 1018 C SER A 69 70.004 0.927 15.606 1.00 0.00 C ATOM 1019 O SER A 69 69.309 1.577 16.387 1.00 0.00 O ATOM 1020 CB SER A 69 68.455 -1.031 15.604 1.00 0.00 C ATOM 1021 OG SER A 69 69.225 -1.892 16.430 1.00 0.00 O ATOM 0 H SER A 69 70.703 -1.807 14.738 1.00 0.00 H new ATOM 0 HA SER A 69 68.827 0.293 13.939 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.820 -0.392 16.218 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.794 -1.617 14.965 1.00 0.00 H new ATOM 0 HG SER A 69 68.626 -2.439 16.980 1.00 0.00 H new ATOM 1027 N SER A 70 71.324 1.061 15.528 1.00 0.00 N ATOM 1028 CA SER A 70 72.034 2.068 16.309 1.00 0.00 C ATOM 1029 C SER A 70 71.996 3.426 15.615 1.00 0.00 C ATOM 1030 O SER A 70 71.841 4.460 16.264 1.00 0.00 O ATOM 1031 CB SER A 70 73.486 1.627 16.506 1.00 0.00 C ATOM 1032 OG SER A 70 73.518 0.608 17.495 1.00 0.00 O ATOM 0 H SER A 70 71.922 0.487 14.934 1.00 0.00 H new ATOM 0 HA SER A 70 71.543 2.167 17.277 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.900 1.257 15.568 1.00 0.00 H new ATOM 0 HB3 SER A 70 74.100 2.473 16.814 1.00 0.00 H new ATOM 0 HG SER A 70 74.443 0.313 17.631 1.00 0.00 H new ATOM 1038 N SER A 71 72.236 3.423 14.308 1.00 0.00 N ATOM 1039 CA SER A 71 72.304 4.664 13.544 1.00 0.00 C ATOM 1040 C SER A 71 73.687 5.293 13.671 1.00 0.00 C ATOM 1041 O SER A 71 73.824 6.516 13.674 1.00 0.00 O ATOM 1042 CB SER A 71 71.215 5.642 13.996 1.00 0.00 C ATOM 1043 OG SER A 71 70.120 4.904 14.518 1.00 0.00 O ATOM 0 H SER A 71 72.386 2.578 13.757 1.00 0.00 H new ATOM 0 HA SER A 71 72.130 4.431 12.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.608 6.319 14.754 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.889 6.257 13.157 1.00 0.00 H new ATOM 0 HG SER A 71 70.243 4.774 15.482 1.00 0.00 H new ATOM 1049 N ASN A 72 74.695 4.451 13.883 1.00 0.00 N ATOM 1050 CA ASN A 72 76.057 4.929 14.098 1.00 0.00 C ATOM 1051 C ASN A 72 76.881 4.810 12.820 1.00 0.00 C ATOM 1052 O ASN A 72 77.752 5.640 12.568 1.00 0.00 O ATOM 1053 CB ASN A 72 76.729 4.122 15.211 1.00 0.00 C ATOM 1054 CG ASN A 72 77.978 4.845 15.708 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.786 5.317 14.908 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.153 5.006 16.990 1.00 0.00 N ATOM 0 H ASN A 72 74.594 3.436 13.910 1.00 0.00 H new ATOM 0 HA ASN A 72 76.005 5.978 14.388 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.032 3.977 16.036 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.996 3.132 14.841 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.962 5.525 17.333 1.00 0.00 H new ATOM 0 HD22 ASN A 72 77.481 4.613 17.650 1.00 0.00 H new ATOM 1063 N SER A 73 76.679 3.728 12.073 1.00 0.00 N ATOM 1064 CA SER A 73 77.460 3.517 10.857 1.00 0.00 C ATOM 1065 C SER A 73 76.774 2.506 9.943 1.00 0.00 C ATOM 1066 O SER A 73 76.080 1.613 10.430 1.00 0.00 O ATOM 1067 CB SER A 73 78.869 3.034 11.210 1.00 0.00 C ATOM 1068 OG SER A 73 78.819 1.688 11.662 1.00 0.00 O ATOM 0 H SER A 73 75.997 2.998 12.281 1.00 0.00 H new ATOM 0 HA SER A 73 77.533 4.467 10.328 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.518 3.110 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.298 3.671 11.983 1.00 0.00 H new ATOM 0 HG SER A 73 79.724 1.384 11.885 1.00 0.00 H new ATOM 1074 N ALA A 74 77.230 2.417 8.696 1.00 0.00 N ATOM 1075 CA ALA A 74 76.629 1.488 7.742 1.00 0.00 C ATOM 1076 C ALA A 74 77.584 0.325 7.490 1.00 0.00 C ATOM 1077 O ALA A 74 78.755 0.527 7.169 1.00 0.00 O ATOM 1078 CB ALA A 74 76.326 2.207 6.424 1.00 0.00 C ATOM 0 H ALA A 74 78.004 2.969 8.326 1.00 0.00 H new ATOM 0 HA ALA A 74 75.696 1.107 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 74 75.878 1.505 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.633 3.028 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.251 2.601 6.004 1.00 0.00 H new ATOM 1084 N SER A 75 77.076 -0.888 7.708 1.00 0.00 N ATOM 1085 CA SER A 75 77.909 -2.095 7.687 1.00 0.00 C ATOM 1086 C SER A 75 77.539 -3.047 6.551 1.00 0.00 C ATOM 1087 O SER A 75 76.351 -3.159 6.247 1.00 0.00 O ATOM 1088 CB SER A 75 77.741 -2.871 8.996 1.00 0.00 C ATOM 1089 OG SER A 75 77.831 -1.979 10.095 1.00 0.00 O ATOM 0 H SER A 75 76.090 -1.063 7.902 1.00 0.00 H new ATOM 0 HA SER A 75 78.934 -1.753 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.778 -3.381 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.509 -3.640 9.075 1.00 0.00 H new ATOM 0 HG SER A 75 77.721 -2.478 10.931 1.00 0.00 H new ATOM 1095 N LEU A 76 78.467 -3.171 5.608 1.00 0.00 N ATOM 1096 CA LEU A 76 78.424 -4.162 4.530 1.00 0.00 C ATOM 1097 C LEU A 76 79.220 -5.448 4.753 1.00 0.00 C ATOM 1098 O LEU A 76 80.381 -5.385 5.149 1.00 0.00 O ATOM 1099 CB LEU A 76 78.708 -3.475 3.193 1.00 0.00 C ATOM 1100 CG LEU A 76 79.263 -4.464 2.157 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.927 -3.949 0.753 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.781 -4.599 2.334 1.00 0.00 C ATOM 0 H LEU A 76 79.292 -2.572 5.568 1.00 0.00 H new ATOM 0 HA LEU A 76 77.407 -4.555 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.791 -3.025 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.422 -2.665 3.343 1.00 0.00 H new ATOM 0 HG LEU A 76 78.812 -5.447 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.316 -4.643 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.845 -3.869 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.380 -2.968 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.172 -5.301 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.252 -3.626 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.999 -4.966 3.337 1.00 0.00 H new ATOM 1114 N THR A 77 78.673 -6.591 4.342 1.00 0.00 N ATOM 1115 CA THR A 77 79.469 -7.809 4.174 1.00 0.00 C ATOM 1116 C THR A 77 79.689 -8.187 2.706 1.00 0.00 C ATOM 1117 O THR A 77 78.755 -8.474 1.963 1.00 0.00 O ATOM 1118 CB THR A 77 78.740 -8.942 4.896 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.673 -8.648 6.284 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.465 -10.274 4.692 1.00 0.00 C ATOM 0 H THR A 77 77.684 -6.701 4.119 1.00 0.00 H new ATOM 0 HA THR A 77 80.459 -7.632 4.593 1.00 0.00 H new ATOM 0 HB THR A 77 77.735 -9.028 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.477 -8.157 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.927 -11.065 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.507 -10.506 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.478 -10.201 5.087 1.00 0.00 H new ATOM 1128 N ILE A 78 80.940 -8.448 2.344 1.00 0.00 N ATOM 1129 CA ILE A 78 81.288 -8.937 1.009 1.00 0.00 C ATOM 1130 C ILE A 78 81.700 -10.404 1.084 1.00 0.00 C ATOM 1131 O ILE A 78 82.781 -10.730 1.574 1.00 0.00 O ATOM 1132 CB ILE A 78 82.420 -8.073 0.436 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.833 -6.814 -0.221 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.267 -8.829 -0.595 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.782 -5.632 -0.029 1.00 0.00 C ATOM 0 H ILE A 78 81.742 -8.328 2.963 1.00 0.00 H new ATOM 0 HA ILE A 78 80.424 -8.864 0.349 1.00 0.00 H new ATOM 0 HB ILE A 78 83.070 -7.802 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.670 -6.991 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.861 -6.585 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.054 -8.174 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.716 -9.704 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.634 -9.147 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.357 -4.744 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 78 82.923 -5.448 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.744 -5.860 -0.488 1.00 0.00 H new ATOM 1147 N SER A 79 80.887 -11.266 0.478 1.00 0.00 N ATOM 1148 CA SER A 79 81.182 -12.695 0.418 1.00 0.00 C ATOM 1149 C SER A 79 81.793 -13.073 -0.927 1.00 0.00 C ATOM 1150 O SER A 79 81.810 -12.270 -1.859 1.00 0.00 O ATOM 1151 CB SER A 79 79.895 -13.494 0.630 1.00 0.00 C ATOM 1152 OG SER A 79 80.067 -14.814 0.134 1.00 0.00 O ATOM 0 H SER A 79 80.016 -10.998 0.020 1.00 0.00 H new ATOM 0 HA SER A 79 81.901 -12.928 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.643 -13.523 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 79 79.064 -13.008 0.118 1.00 0.00 H new ATOM 0 HG SER A 79 79.242 -15.325 0.272 1.00 0.00 H new ATOM 1158 N GLY A 80 82.326 -14.288 -1.004 1.00 0.00 N ATOM 1159 CA GLY A 80 82.916 -14.780 -2.243 1.00 0.00 C ATOM 1160 C GLY A 80 84.060 -13.878 -2.699 1.00 0.00 C ATOM 1161 O GLY A 80 84.192 -13.577 -3.885 1.00 0.00 O ATOM 0 H GLY A 80 82.361 -14.947 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.285 -15.795 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.153 -14.827 -3.020 1.00 0.00 H new ATOM 1165 N LEU A 81 84.842 -13.390 -1.742 1.00 0.00 N ATOM 1166 CA LEU A 81 85.953 -12.500 -2.057 1.00 0.00 C ATOM 1167 C LEU A 81 87.019 -13.225 -2.872 1.00 0.00 C ATOM 1168 O LEU A 81 87.383 -14.361 -2.572 1.00 0.00 O ATOM 1169 CB LEU A 81 86.550 -11.968 -0.752 1.00 0.00 C ATOM 1170 CG LEU A 81 87.851 -11.196 -1.023 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.903 -9.925 -0.173 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.076 -12.054 -0.699 1.00 0.00 C ATOM 0 H LEU A 81 84.728 -13.594 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 81 85.585 -11.669 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.831 -11.315 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.748 -12.797 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 81 87.864 -10.936 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.830 -9.389 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.054 -9.287 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.862 -10.192 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.983 -11.484 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.052 -12.340 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.067 -12.951 -1.319 1.00 0.00 H new ATOM 1184 N LYS A 82 87.493 -12.566 -3.925 1.00 0.00 N ATOM 1185 CA LYS A 82 88.494 -13.156 -4.807 1.00 0.00 C ATOM 1186 C LYS A 82 89.343 -12.063 -5.449 1.00 0.00 C ATOM 1187 O LYS A 82 89.055 -10.874 -5.308 1.00 0.00 O ATOM 1188 CB LYS A 82 87.803 -14.009 -5.881 1.00 0.00 C ATOM 1189 CG LYS A 82 88.395 -15.420 -5.919 1.00 0.00 C ATOM 1190 CD LYS A 82 87.566 -16.310 -6.847 1.00 0.00 C ATOM 1191 CE LYS A 82 88.164 -17.719 -6.868 1.00 0.00 C ATOM 1192 NZ LYS A 82 87.164 -18.678 -7.415 1.00 0.00 N ATOM 0 H LYS A 82 87.201 -11.625 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 82 89.152 -13.798 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.734 -14.064 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.917 -13.536 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.428 -15.381 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.412 -15.843 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.532 -16.347 -6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.554 -15.893 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 82 89.067 -17.733 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 82 88.455 -18.017 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 87.572 -19.635 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 86.314 -18.672 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.907 -18.397 -8.383 1.00 0.00 H new ATOM 1206 N THR A 83 90.342 -12.486 -6.216 1.00 0.00 N ATOM 1207 CA THR A 83 91.156 -11.549 -6.982 1.00 0.00 C ATOM 1208 C THR A 83 90.256 -10.545 -7.693 1.00 0.00 C ATOM 1209 O THR A 83 90.723 -9.514 -8.178 1.00 0.00 O ATOM 1210 CB THR A 83 92.023 -12.293 -8.002 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.350 -11.419 -9.073 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.262 -13.501 -8.552 1.00 0.00 C ATOM 0 H THR A 83 90.607 -13.465 -6.324 1.00 0.00 H new ATOM 0 HA THR A 83 91.815 -11.018 -6.295 1.00 0.00 H new ATOM 0 HB THR A 83 92.935 -12.634 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.005 -10.522 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.885 -14.025 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 83 91.011 -14.176 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.346 -13.164 -9.038 1.00 0.00 H new ATOM 1220 N GLU A 84 88.986 -10.909 -7.844 1.00 0.00 N ATOM 1221 CA GLU A 84 88.032 -10.009 -8.483 1.00 0.00 C ATOM 1222 C GLU A 84 87.644 -8.865 -7.551 1.00 0.00 C ATOM 1223 O GLU A 84 87.533 -7.717 -7.985 1.00 0.00 O ATOM 1224 CB GLU A 84 86.779 -10.779 -8.905 1.00 0.00 C ATOM 1225 CG GLU A 84 85.901 -9.882 -9.780 1.00 0.00 C ATOM 1226 CD GLU A 84 84.760 -10.699 -10.376 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.458 -11.744 -9.823 1.00 0.00 O ATOM 1228 OE2 GLU A 84 84.149 -10.228 -11.321 1.00 0.00 O ATOM 0 H GLU A 84 88.599 -11.802 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 84 88.511 -9.586 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 84 87.059 -11.678 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.224 -11.102 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 84 85.501 -9.060 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.498 -9.439 -10.577 1.00 0.00 H new ATOM 1235 N ASP A 85 87.490 -9.163 -6.265 1.00 0.00 N ATOM 1236 CA ASP A 85 87.074 -8.135 -5.317 1.00 0.00 C ATOM 1237 C ASP A 85 88.224 -7.164 -5.066 1.00 0.00 C ATOM 1238 O ASP A 85 88.022 -6.064 -4.551 1.00 0.00 O ATOM 1239 CB ASP A 85 86.657 -8.788 -3.994 1.00 0.00 C ATOM 1240 CG ASP A 85 85.620 -7.931 -3.276 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.533 -7.786 -3.811 1.00 0.00 O ATOM 1242 OD2 ASP A 85 85.905 -7.485 -2.177 1.00 0.00 O ATOM 0 H ASP A 85 87.643 -10.087 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 85 86.227 -7.589 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.248 -9.780 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.531 -8.921 -3.357 1.00 0.00 H new ATOM 1247 N GLU A 86 89.409 -7.544 -5.534 1.00 0.00 N ATOM 1248 CA GLU A 86 90.586 -6.699 -5.373 1.00 0.00 C ATOM 1249 C GLU A 86 90.333 -5.333 -6.001 1.00 0.00 C ATOM 1250 O GLU A 86 89.994 -5.239 -7.180 1.00 0.00 O ATOM 1251 CB GLU A 86 91.796 -7.345 -6.052 1.00 0.00 C ATOM 1252 CG GLU A 86 93.063 -6.573 -5.679 1.00 0.00 C ATOM 1253 CD GLU A 86 94.287 -7.267 -6.267 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.160 -8.413 -6.666 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.333 -6.640 -6.312 1.00 0.00 O ATOM 0 H GLU A 86 89.579 -8.423 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 86 90.787 -6.582 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.887 -8.386 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.662 -7.345 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.999 -5.551 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.155 -6.511 -4.595 1.00 0.00 H new ATOM 1262 N ALA A 87 90.528 -4.280 -5.214 1.00 0.00 N ATOM 1263 CA ALA A 87 90.351 -2.918 -5.706 1.00 0.00 C ATOM 1264 C ALA A 87 90.208 -1.959 -4.528 1.00 0.00 C ATOM 1265 O ALA A 87 90.321 -2.361 -3.369 1.00 0.00 O ATOM 1266 CB ALA A 87 89.118 -2.826 -6.613 1.00 0.00 C ATOM 0 H ALA A 87 90.808 -4.343 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 87 91.228 -2.641 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.004 -1.802 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.242 -3.495 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.230 -3.116 -6.051 1.00 0.00 H new ATOM 1272 N ASP A 88 90.119 -0.670 -4.842 1.00 0.00 N ATOM 1273 CA ASP A 88 89.942 0.354 -3.819 1.00 0.00 C ATOM 1274 C ASP A 88 88.462 0.625 -3.571 1.00 0.00 C ATOM 1275 O ASP A 88 87.660 0.666 -4.504 1.00 0.00 O ATOM 1276 CB ASP A 88 90.627 1.647 -4.263 1.00 0.00 C ATOM 1277 CG ASP A 88 92.088 1.375 -4.603 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.365 1.070 -5.751 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.916 1.532 -3.720 1.00 0.00 O ATOM 0 H ASP A 88 90.167 -0.311 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 88 90.390 -0.005 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.114 2.060 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.563 2.393 -3.471 1.00 0.00 H new ATOM 1284 N TYR A 89 88.118 0.861 -2.309 1.00 0.00 N ATOM 1285 CA TYR A 89 86.728 1.048 -1.906 1.00 0.00 C ATOM 1286 C TYR A 89 86.499 2.475 -1.417 1.00 0.00 C ATOM 1287 O TYR A 89 87.397 3.102 -0.855 1.00 0.00 O ATOM 1288 CB TYR A 89 86.395 0.056 -0.789 1.00 0.00 C ATOM 1289 CG TYR A 89 86.253 -1.334 -1.366 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.354 -1.964 -1.961 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.035 -2.016 -1.264 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.215 -3.234 -2.532 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.914 -3.311 -1.778 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.994 -3.910 -2.437 1.00 0.00 C ATOM 1295 OH TYR A 89 85.872 -5.191 -2.936 1.00 0.00 O ATOM 0 H TYR A 89 88.788 0.928 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 89 86.080 0.872 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.180 0.068 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.470 0.350 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.313 -1.468 -1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.189 -1.542 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.048 -3.691 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.985 -3.850 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 89 85.993 -5.838 -2.210 1.00 0.00 H new ATOM 1305 N TYR A 90 85.292 2.982 -1.651 1.00 0.00 N ATOM 1306 CA TYR A 90 84.934 4.348 -1.279 1.00 0.00 C ATOM 1307 C TYR A 90 83.460 4.402 -0.881 1.00 0.00 C ATOM 1308 O TYR A 90 82.667 3.579 -1.340 1.00 0.00 O ATOM 1309 CB TYR A 90 85.189 5.279 -2.468 1.00 0.00 C ATOM 1310 CG TYR A 90 86.548 4.993 -3.063 1.00 0.00 C ATOM 1311 CD1 TYR A 90 87.673 5.691 -2.609 1.00 0.00 C ATOM 1312 CD2 TYR A 90 86.669 4.095 -4.131 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.926 5.453 -3.184 1.00 0.00 C ATOM 1314 CE2 TYR A 90 87.916 3.884 -4.730 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.043 4.574 -4.267 1.00 0.00 C ATOM 1316 OH TYR A 90 90.281 4.336 -4.827 1.00 0.00 O ATOM 0 H TYR A 90 84.539 2.462 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 90 85.541 4.669 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.415 5.139 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 90 85.135 6.319 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 90 87.574 6.415 -1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 90 85.800 3.565 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 90 89.803 5.947 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 90 88.009 3.188 -5.551 1.00 0.00 H new ATOM 0 HH TYR A 90 90.967 4.366 -4.128 1.00 0.00 H new ATOM 1326 N CYS A 91 83.082 5.367 -0.042 1.00 0.00 N ATOM 1327 CA CYS A 91 81.701 5.488 0.431 1.00 0.00 C ATOM 1328 C CYS A 91 81.182 6.903 0.194 1.00 0.00 C ATOM 1329 O CYS A 91 81.874 7.879 0.485 1.00 0.00 O ATOM 1330 CB CYS A 91 81.650 5.125 1.923 1.00 0.00 C ATOM 1331 SG CYS A 91 79.973 5.139 2.613 1.00 0.00 S ATOM 0 H CYS A 91 83.714 6.078 0.325 1.00 0.00 H new ATOM 0 HA CYS A 91 81.060 4.803 -0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 91 82.084 4.135 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 91 82.270 5.827 2.481 1.00 0.00 H new ATOM 1336 N GLN A 92 79.916 7.006 -0.210 1.00 0.00 N ATOM 1337 CA GLN A 92 79.277 8.296 -0.465 1.00 0.00 C ATOM 1338 C GLN A 92 77.961 8.363 0.305 1.00 0.00 C ATOM 1339 O GLN A 92 77.236 7.373 0.389 1.00 0.00 O ATOM 1340 CB GLN A 92 79.058 8.467 -1.975 1.00 0.00 C ATOM 1341 CG GLN A 92 77.909 9.427 -2.307 1.00 0.00 C ATOM 1342 CD GLN A 92 78.147 10.795 -1.676 1.00 0.00 C ATOM 1343 OE1 GLN A 92 78.950 11.577 -2.184 1.00 0.00 O ATOM 1344 NE2 GLN A 92 77.391 11.193 -0.688 1.00 0.00 N ATOM 0 H GLN A 92 79.308 6.203 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 92 79.914 9.112 -0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.977 8.837 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.851 7.493 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 92 77.817 9.531 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 92 76.968 9.013 -1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 92 76.724 10.548 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 92 77.467 12.149 -0.340 1.00 0.00 H new ATOM 1353 N SER A 93 77.736 9.465 1.015 1.00 0.00 N ATOM 1354 CA SER A 93 76.505 9.633 1.781 1.00 0.00 C ATOM 1355 C SER A 93 75.916 11.026 1.579 1.00 0.00 C ATOM 1356 O SER A 93 76.646 12.016 1.515 1.00 0.00 O ATOM 1357 CB SER A 93 76.789 9.406 3.267 1.00 0.00 C ATOM 1358 OG SER A 93 77.866 10.235 3.680 1.00 0.00 O ATOM 0 H SER A 93 78.385 10.250 1.076 1.00 0.00 H new ATOM 0 HA SER A 93 75.780 8.900 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.899 9.629 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.034 8.359 3.445 1.00 0.00 H new ATOM 0 HG SER A 93 78.528 9.696 4.161 1.00 0.00 H new ATOM 1364 N TYR A 94 74.588 11.100 1.574 1.00 0.00 N ATOM 1365 CA TYR A 94 73.890 12.371 1.410 1.00 0.00 C ATOM 1366 C TYR A 94 72.496 12.319 2.034 1.00 0.00 C ATOM 1367 O TYR A 94 71.941 11.243 2.250 1.00 0.00 O ATOM 1368 CB TYR A 94 73.787 12.740 -0.076 1.00 0.00 C ATOM 1369 CG TYR A 94 73.932 11.515 -0.949 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.197 10.356 -0.672 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.814 11.534 -2.037 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.314 9.238 -1.506 1.00 0.00 C ATOM 1373 CE2 TYR A 94 74.918 10.423 -2.881 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.195 9.260 -2.594 1.00 0.00 C ATOM 1375 OH TYR A 94 74.262 8.178 -3.446 1.00 0.00 O ATOM 0 H TYR A 94 73.973 10.293 1.682 1.00 0.00 H new ATOM 0 HA TYR A 94 74.468 13.138 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.827 13.218 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.561 13.465 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.540 10.325 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.417 12.410 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.723 8.356 -1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 94 75.555 10.463 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 94 73.364 7.967 -3.778 1.00 0.00 H new ATOM 1482 N PHE A 102 81.746 12.349 0.234 1.00 0.00 N ATOM 1483 CA PHE A 102 82.184 10.959 0.152 1.00 0.00 C ATOM 1484 C PHE A 102 83.639 10.826 0.587 1.00 0.00 C ATOM 1485 O PHE A 102 84.427 11.756 0.414 1.00 0.00 O ATOM 1486 CB PHE A 102 82.009 10.449 -1.282 1.00 0.00 C ATOM 1487 CG PHE A 102 83.109 10.973 -2.175 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.137 12.327 -2.528 1.00 0.00 C ATOM 1489 CD2 PHE A 102 84.122 10.114 -2.619 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.158 12.815 -3.351 1.00 0.00 C ATOM 1491 CE2 PHE A 102 85.150 10.605 -3.432 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.170 11.956 -3.796 1.00 0.00 C ATOM 0 HA PHE A 102 81.573 10.357 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.017 9.359 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.040 10.763 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 102 82.370 12.995 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 102 84.110 9.072 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 102 84.165 13.855 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 102 85.928 9.941 -3.779 1.00 0.00 H new ATOM 0 HZ PHE A 102 85.966 12.336 -4.420 1.00 0.00 H new ATOM 1502 N GLY A 103 84.003 9.652 1.095 1.00 0.00 N ATOM 1503 CA GLY A 103 85.390 9.424 1.480 1.00 0.00 C ATOM 1504 C GLY A 103 85.576 8.035 2.075 1.00 0.00 C ATOM 1505 O GLY A 103 84.749 7.145 1.876 1.00 0.00 O ATOM 0 H GLY A 103 83.375 8.863 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 103 86.035 9.539 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 103 85.697 10.177 2.206 1.00 0.00 H new ATOM 1509 N GLY A 104 86.730 7.830 2.701 1.00 0.00 N ATOM 1510 CA GLY A 104 87.052 6.543 3.305 1.00 0.00 C ATOM 1511 C GLY A 104 87.721 5.616 2.298 1.00 0.00 C ATOM 1512 O GLY A 104 87.288 4.480 2.104 1.00 0.00 O ATOM 0 H GLY A 104 87.457 8.538 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 104 87.712 6.694 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 104 86.142 6.078 3.683 1.00 0.00 H new ATOM 1516 N GLY A 105 88.725 6.136 1.603 1.00 0.00 N ATOM 1517 CA GLY A 105 89.472 5.319 0.658 1.00 0.00 C ATOM 1518 C GLY A 105 90.084 4.117 1.370 1.00 0.00 C ATOM 1519 O GLY A 105 91.228 4.173 1.820 1.00 0.00 O ATOM 0 H GLY A 105 89.037 7.105 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.813 4.981 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 105 90.258 5.914 0.193 1.00 0.00 H new ATOM 1523 N THR A 106 89.392 2.983 1.301 1.00 0.00 N ATOM 1524 CA THR A 106 89.871 1.761 1.940 1.00 0.00 C ATOM 1525 C THR A 106 90.408 0.808 0.879 1.00 0.00 C ATOM 1526 O THR A 106 89.685 0.397 -0.028 1.00 0.00 O ATOM 1527 CB THR A 106 88.728 1.075 2.695 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.300 1.907 3.763 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.211 -0.263 3.258 1.00 0.00 C ATOM 0 H THR A 106 88.502 2.885 0.812 1.00 0.00 H new ATOM 0 HA THR A 106 90.663 2.020 2.643 1.00 0.00 H new ATOM 0 HB THR A 106 87.898 0.901 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.914 2.732 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.395 -0.748 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.540 -0.904 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.043 -0.091 3.941 1.00 0.00 H new ATOM 1537 N LYS A 107 91.706 0.531 0.960 1.00 0.00 N ATOM 1538 CA LYS A 107 92.362 -0.334 -0.012 1.00 0.00 C ATOM 1539 C LYS A 107 92.184 -1.794 0.385 1.00 0.00 C ATOM 1540 O LYS A 107 92.519 -2.193 1.500 1.00 0.00 O ATOM 1541 CB LYS A 107 93.854 -0.004 -0.075 1.00 0.00 C ATOM 1542 CG LYS A 107 94.031 1.463 -0.467 1.00 0.00 C ATOM 1543 CD LYS A 107 95.522 1.798 -0.526 1.00 0.00 C ATOM 1544 CE LYS A 107 95.688 3.283 -0.853 1.00 0.00 C ATOM 1545 NZ LYS A 107 97.136 3.636 -0.843 1.00 0.00 N ATOM 0 H LYS A 107 92.322 0.893 1.688 1.00 0.00 H new ATOM 0 HA LYS A 107 91.911 -0.170 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.321 -0.193 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.350 -0.649 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.567 1.651 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.531 2.107 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.997 1.567 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.015 1.189 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 107 95.256 3.502 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 107 95.150 3.889 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.249 4.646 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 97.534 3.442 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 97.637 3.067 -1.555 1.00 0.00 H new ATOM 1559 N LEU A 108 91.626 -2.579 -0.531 1.00 0.00 N ATOM 1560 CA LEU A 108 91.430 -4.007 -0.309 1.00 0.00 C ATOM 1561 C LEU A 108 92.359 -4.803 -1.218 1.00 0.00 C ATOM 1562 O LEU A 108 92.262 -4.721 -2.442 1.00 0.00 O ATOM 1563 CB LEU A 108 89.974 -4.359 -0.621 1.00 0.00 C ATOM 1564 CG LEU A 108 89.709 -5.851 -0.394 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.951 -6.222 1.073 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.260 -6.159 -0.778 1.00 0.00 C ATOM 0 H LEU A 108 91.300 -2.248 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 108 91.656 -4.254 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.310 -3.768 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.747 -4.099 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 108 90.390 -6.437 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.758 -7.285 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.985 -6.002 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.282 -5.643 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.059 -7.219 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.586 -5.566 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.101 -5.912 -1.828 1.00 0.00 H new ATOM 1578 N THR A 109 93.187 -5.648 -0.611 1.00 0.00 N ATOM 1579 CA THR A 109 94.103 -6.495 -1.367 1.00 0.00 C ATOM 1580 C THR A 109 93.749 -7.960 -1.150 1.00 0.00 C ATOM 1581 O THR A 109 93.781 -8.456 -0.024 1.00 0.00 O ATOM 1582 CB THR A 109 95.540 -6.251 -0.902 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.784 -4.854 -0.827 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.515 -6.888 -1.896 1.00 0.00 C ATOM 0 H THR A 109 93.242 -5.764 0.401 1.00 0.00 H new ATOM 0 HA THR A 109 94.016 -6.251 -2.426 1.00 0.00 H new ATOM 0 HB THR A 109 95.683 -6.697 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.704 -4.698 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.539 -6.714 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.329 -7.961 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.372 -6.444 -2.881 1.00 0.00 H new ATOM 1592 N VAL A 110 93.428 -8.653 -2.238 1.00 0.00 N ATOM 1593 CA VAL A 110 93.071 -10.063 -2.156 1.00 0.00 C ATOM 1594 C VAL A 110 94.308 -10.936 -2.344 1.00 0.00 C ATOM 1595 O VAL A 110 94.241 -12.003 -2.953 1.00 0.00 O ATOM 1596 CB VAL A 110 92.028 -10.400 -3.228 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.634 -11.882 -3.118 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.801 -9.485 -3.079 1.00 0.00 C ATOM 0 H VAL A 110 93.408 -8.263 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 110 92.650 -10.260 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 110 92.454 -10.230 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 110 90.893 -12.119 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.517 -12.505 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.213 -12.074 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.067 -9.733 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.359 -9.627 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.107 -8.445 -3.193 1.00 0.00 H new ATOM 1608 N LEU A 111 95.446 -10.457 -1.853 1.00 0.00 N ATOM 1609 CA LEU A 111 96.692 -11.208 -1.958 1.00 0.00 C ATOM 1610 C LEU A 111 96.849 -11.784 -3.361 1.00 0.00 C ATOM 1611 O LEU A 111 96.953 -12.994 -3.482 1.00 0.00 O ATOM 1612 CB LEU A 111 96.701 -12.330 -0.915 1.00 0.00 C ATOM 1613 CG LEU A 111 97.032 -11.769 0.474 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.424 -12.660 1.561 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.549 -11.700 0.680 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.842 -11.005 -4.300 1.00 0.00 O ATOM 0 H LEU A 111 95.532 -9.557 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 111 97.531 -10.538 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.729 -12.822 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.435 -13.087 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 111 96.613 -10.765 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.665 -12.252 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.341 -12.696 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.832 -13.667 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.764 -11.300 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.974 -12.700 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.990 -11.051 -0.077 1.00 0.00 H new