USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 917 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 97 GLN : amide:sc= -0.102 K(o=-0.22,f=-0.86) USER MOD Set 1.2: A 101 MET CE :methyl 152:sc= -0.122 (180deg=0) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.796 K(o=2.1,f=-3.9!) USER MOD Set 2.2: A 54 SER OG : rot 131:sc= 1.26 USER MOD Set 3.1: A 33 TYR OH : rot 150:sc= -0.71 USER MOD Set 3.2: A 38 CYS SG : rot 180:sc= 0.00746 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 53:sc= 0.89 USER MOD Single : A 5 SER OG : rot 50:sc= -0.169 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.268 (180deg=-0.842) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 43 SER OG : rot 60:sc= -2.13 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 47 GLN : amide:sc= -1.29 K(o=-1.3,f=-2!) USER MOD Single : A 50 ASN : amide:sc=-0.00317 X(o=-0.0032,f=0) USER MOD Single : A 58 SER OG : rot 99:sc= 0.295 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 19:sc= 0.594 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= -3.1 (180deg=-4.48!) USER MOD Single : A 77 THR OG1 : rot -92:sc= 1.63 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -120:sc= -0.317 USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0.818 (180deg=0.791) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0383 (180deg=-0.288) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -143:sc= -3.15! (180deg=-3.82!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.79) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.015) USER MOD Single : A 108 ASN : amide:sc= 0.839 K(o=0.84,f=-0.34) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.439 16.429 4.657 1.00 0.00 N ATOM 2 CA GLY A 1 -24.790 16.640 5.938 1.00 0.00 C ATOM 3 C GLY A 1 -23.311 16.312 5.899 1.00 0.00 C ATOM 4 O GLY A 1 -22.468 17.208 5.933 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.448 16.667 4.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.995 17.036 3.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.339 15.432 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.921 17.679 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.276 16.023 6.694 1.00 0.00 H new ATOM 8 N SER A 2 -22.994 15.023 5.831 1.00 0.00 N ATOM 9 CA SER A 2 -21.606 14.578 5.793 1.00 0.00 C ATOM 10 C SER A 2 -21.359 13.669 4.593 1.00 0.00 C ATOM 11 O SER A 2 -21.743 12.500 4.596 1.00 0.00 O ATOM 12 CB SER A 2 -21.249 13.842 7.086 1.00 0.00 C ATOM 13 OG SER A 2 -19.845 13.760 7.256 1.00 0.00 O ATOM 0 H SER A 2 -23.680 14.268 5.801 1.00 0.00 H new ATOM 0 HA SER A 2 -20.971 15.459 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.692 14.360 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.675 12.839 7.067 1.00 0.00 H new ATOM 0 HG SER A 2 -19.644 13.287 8.090 1.00 0.00 H new ATOM 19 N SER A 3 -20.714 14.216 3.567 1.00 0.00 N ATOM 20 CA SER A 3 -20.419 13.458 2.358 1.00 0.00 C ATOM 21 C SER A 3 -18.931 13.521 2.027 1.00 0.00 C ATOM 22 O SER A 3 -18.488 14.383 1.269 1.00 0.00 O ATOM 23 CB SER A 3 -21.237 13.993 1.181 1.00 0.00 C ATOM 24 OG SER A 3 -20.927 15.350 0.919 1.00 0.00 O ATOM 0 H SER A 3 -20.386 15.182 3.550 1.00 0.00 H new ATOM 0 HA SER A 3 -20.691 12.418 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.037 13.393 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.300 13.895 1.399 1.00 0.00 H new ATOM 0 HG SER A 3 -19.958 15.449 0.812 1.00 0.00 H new ATOM 30 N GLY A 4 -18.163 12.601 2.602 1.00 0.00 N ATOM 31 CA GLY A 4 -16.733 12.569 2.357 1.00 0.00 C ATOM 32 C GLY A 4 -15.928 13.010 3.564 1.00 0.00 C ATOM 33 O GLY A 4 -16.043 12.427 4.642 1.00 0.00 O ATOM 0 H GLY A 4 -18.506 11.877 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.438 11.558 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.498 13.215 1.511 1.00 0.00 H new ATOM 37 N SER A 5 -15.109 14.041 3.382 1.00 0.00 N ATOM 38 CA SER A 5 -14.277 14.556 4.464 1.00 0.00 C ATOM 39 C SER A 5 -13.722 13.416 5.312 1.00 0.00 C ATOM 40 O SER A 5 -13.690 13.500 6.540 1.00 0.00 O ATOM 41 CB SER A 5 -15.083 15.515 5.342 1.00 0.00 C ATOM 42 OG SER A 5 -16.306 14.928 5.751 1.00 0.00 O ATOM 0 H SER A 5 -15.004 14.536 2.496 1.00 0.00 H new ATOM 0 HA SER A 5 -13.440 15.096 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.497 15.789 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.284 16.435 4.792 1.00 0.00 H new ATOM 0 HG SER A 5 -16.133 14.038 6.124 1.00 0.00 H new ATOM 48 N SER A 6 -13.286 12.351 4.648 1.00 0.00 N ATOM 49 CA SER A 6 -12.735 11.191 5.340 1.00 0.00 C ATOM 50 C SER A 6 -11.656 11.613 6.333 1.00 0.00 C ATOM 51 O SER A 6 -10.963 12.609 6.128 1.00 0.00 O ATOM 52 CB SER A 6 -12.156 10.196 4.332 1.00 0.00 C ATOM 53 OG SER A 6 -11.809 8.976 4.962 1.00 0.00 O ATOM 0 H SER A 6 -13.303 12.267 3.632 1.00 0.00 H new ATOM 0 HA SER A 6 -13.543 10.710 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.884 10.007 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.275 10.627 3.856 1.00 0.00 H new ATOM 0 HG SER A 6 -11.443 8.357 4.296 1.00 0.00 H new ATOM 59 N GLY A 7 -11.519 10.846 7.410 1.00 0.00 N ATOM 60 CA GLY A 7 -10.523 11.156 8.419 1.00 0.00 C ATOM 61 C GLY A 7 -9.804 9.920 8.923 1.00 0.00 C ATOM 62 O GLY A 7 -10.140 9.383 9.978 1.00 0.00 O ATOM 0 H GLY A 7 -12.080 10.016 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.794 11.852 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.004 11.660 9.257 1.00 0.00 H new ATOM 66 N LYS A 8 -8.813 9.465 8.165 1.00 0.00 N ATOM 67 CA LYS A 8 -8.043 8.284 8.538 1.00 0.00 C ATOM 68 C LYS A 8 -6.760 8.189 7.719 1.00 0.00 C ATOM 69 O LYS A 8 -6.794 7.904 6.522 1.00 0.00 O ATOM 70 CB LYS A 8 -8.882 7.019 8.339 1.00 0.00 C ATOM 71 CG LYS A 8 -9.688 6.624 9.565 1.00 0.00 C ATOM 72 CD LYS A 8 -10.010 5.139 9.565 1.00 0.00 C ATOM 73 CE LYS A 8 -11.087 4.803 8.545 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.453 5.084 9.067 1.00 0.00 N ATOM 0 H LYS A 8 -8.523 9.897 7.287 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.775 8.374 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.562 7.172 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.223 6.195 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.129 6.876 10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.614 7.198 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.107 4.570 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.341 4.837 10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.920 5.381 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.012 3.751 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.158 4.842 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.623 4.513 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.533 6.093 9.304 1.00 0.00 H new ATOM 88 N LYS A 9 -5.628 8.428 8.373 1.00 0.00 N ATOM 89 CA LYS A 9 -4.332 8.367 7.707 1.00 0.00 C ATOM 90 C LYS A 9 -3.768 6.951 7.742 1.00 0.00 C ATOM 91 O LYS A 9 -3.744 6.307 8.793 1.00 0.00 O ATOM 92 CB LYS A 9 -3.349 9.336 8.369 1.00 0.00 C ATOM 93 CG LYS A 9 -1.892 8.968 8.149 1.00 0.00 C ATOM 94 CD LYS A 9 -0.998 10.197 8.170 1.00 0.00 C ATOM 95 CE LYS A 9 -0.498 10.499 9.574 1.00 0.00 C ATOM 96 NZ LYS A 9 0.249 11.786 9.632 1.00 0.00 N ATOM 0 H LYS A 9 -5.582 8.666 9.364 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.473 8.657 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.524 10.340 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.549 9.369 9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.571 8.270 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.785 8.455 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.148 10.041 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.549 11.056 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.344 10.539 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.148 9.689 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.573 11.956 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.071 11.739 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.375 12.563 9.334 1.00 0.00 H new ATOM 110 N LEU A 10 -3.314 6.470 6.590 1.00 0.00 N ATOM 111 CA LEU A 10 -2.748 5.130 6.490 1.00 0.00 C ATOM 112 C LEU A 10 -1.292 5.186 6.040 1.00 0.00 C ATOM 113 O LEU A 10 -1.004 5.353 4.854 1.00 0.00 O ATOM 114 CB LEU A 10 -3.564 4.282 5.512 1.00 0.00 C ATOM 115 CG LEU A 10 -3.017 2.885 5.216 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.322 1.938 6.366 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.596 2.351 3.914 1.00 0.00 C ATOM 0 H LEU A 10 -3.327 6.989 5.712 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.786 4.672 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.574 4.178 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.645 4.826 4.571 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.935 2.954 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.925 0.949 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.859 2.313 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.401 1.873 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.196 1.356 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.682 2.296 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.326 3.018 3.095 1.00 0.00 H new ATOM 129 N CYS A 11 -0.377 5.042 6.993 1.00 0.00 N ATOM 130 CA CYS A 11 1.050 5.075 6.694 1.00 0.00 C ATOM 131 C CYS A 11 1.811 4.082 7.567 1.00 0.00 C ATOM 132 O CYS A 11 1.317 3.649 8.607 1.00 0.00 O ATOM 133 CB CYS A 11 1.604 6.485 6.903 1.00 0.00 C ATOM 134 SG CYS A 11 1.183 7.214 8.503 1.00 0.00 S ATOM 0 H CYS A 11 -0.598 4.901 7.979 1.00 0.00 H new ATOM 0 HA CYS A 11 1.184 4.791 5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.689 6.456 6.803 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.228 7.132 6.111 1.00 0.00 H new ATOM 0 HG CYS A 11 1.698 8.405 8.586 1.00 0.00 H new ATOM 140 N GLY A 12 3.017 3.725 7.135 1.00 0.00 N ATOM 141 CA GLY A 12 3.826 2.784 7.887 1.00 0.00 C ATOM 142 C GLY A 12 5.062 2.345 7.128 1.00 0.00 C ATOM 143 O GLY A 12 5.127 2.477 5.905 1.00 0.00 O ATOM 0 H GLY A 12 3.448 4.071 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.126 3.240 8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.225 1.909 8.133 1.00 0.00 H new ATOM 147 N TYR A 13 6.045 1.824 7.853 1.00 0.00 N ATOM 148 CA TYR A 13 7.288 1.368 7.240 1.00 0.00 C ATOM 149 C TYR A 13 7.180 -0.092 6.811 1.00 0.00 C ATOM 150 O TYR A 13 6.681 -0.936 7.557 1.00 0.00 O ATOM 151 CB TYR A 13 8.454 1.540 8.214 1.00 0.00 C ATOM 152 CG TYR A 13 8.932 2.969 8.341 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.382 3.824 9.289 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.931 3.465 7.512 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.815 5.131 9.408 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.370 4.770 7.625 1.00 0.00 C ATOM 157 CZ TYR A 13 9.809 5.599 8.574 1.00 0.00 C ATOM 158 OH TYR A 13 10.243 6.900 8.689 1.00 0.00 O ATOM 0 H TYR A 13 6.006 1.707 8.865 1.00 0.00 H new ATOM 0 HA TYR A 13 7.471 1.976 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.152 1.178 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.285 0.916 7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.603 3.461 9.943 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.372 2.819 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.377 5.782 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.148 5.139 6.974 1.00 0.00 H new ATOM 0 HH TYR A 13 10.947 7.069 8.029 1.00 0.00 H new ATOM 168 N LEU A 14 7.651 -0.383 5.604 1.00 0.00 N ATOM 169 CA LEU A 14 7.609 -1.741 5.073 1.00 0.00 C ATOM 170 C LEU A 14 8.967 -2.148 4.511 1.00 0.00 C ATOM 171 O LEU A 14 9.872 -1.323 4.388 1.00 0.00 O ATOM 172 CB LEU A 14 6.540 -1.853 3.985 1.00 0.00 C ATOM 173 CG LEU A 14 5.090 -1.727 4.454 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.138 -1.796 3.270 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.762 -2.813 5.469 1.00 0.00 C ATOM 0 H LEU A 14 8.067 0.303 4.974 1.00 0.00 H new ATOM 0 HA LEU A 14 7.357 -2.416 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.728 -1.081 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.657 -2.815 3.486 1.00 0.00 H new ATOM 0 HG LEU A 14 4.967 -0.757 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.111 -1.705 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.358 -0.982 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.262 -2.750 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.726 -2.708 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.902 -3.793 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.422 -2.717 6.331 1.00 0.00 H new ATOM 187 N SER A 15 9.102 -3.426 4.168 1.00 0.00 N ATOM 188 CA SER A 15 10.350 -3.943 3.620 1.00 0.00 C ATOM 189 C SER A 15 10.204 -4.250 2.133 1.00 0.00 C ATOM 190 O SER A 15 9.289 -4.964 1.721 1.00 0.00 O ATOM 191 CB SER A 15 10.779 -5.203 4.373 1.00 0.00 C ATOM 192 OG SER A 15 11.587 -4.879 5.491 1.00 0.00 O ATOM 0 H SER A 15 8.362 -4.122 4.260 1.00 0.00 H new ATOM 0 HA SER A 15 11.116 -3.177 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.897 -5.750 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.329 -5.862 3.701 1.00 0.00 H new ATOM 0 HG SER A 15 11.847 -5.701 5.956 1.00 0.00 H new ATOM 198 N LYS A 16 11.112 -3.706 1.330 1.00 0.00 N ATOM 199 CA LYS A 16 11.087 -3.922 -0.112 1.00 0.00 C ATOM 200 C LYS A 16 12.026 -5.057 -0.508 1.00 0.00 C ATOM 201 O LYS A 16 13.226 -5.005 -0.241 1.00 0.00 O ATOM 202 CB LYS A 16 11.482 -2.639 -0.847 1.00 0.00 C ATOM 203 CG LYS A 16 11.320 -2.728 -2.355 1.00 0.00 C ATOM 204 CD LYS A 16 9.926 -2.311 -2.791 1.00 0.00 C ATOM 205 CE LYS A 16 9.744 -2.460 -4.294 1.00 0.00 C ATOM 206 NZ LYS A 16 9.902 -3.874 -4.734 1.00 0.00 N ATOM 0 H LYS A 16 11.875 -3.112 1.654 1.00 0.00 H new ATOM 0 HA LYS A 16 10.072 -4.198 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.875 -1.814 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.520 -2.402 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.060 -2.091 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.515 -3.749 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.184 -2.918 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.748 -1.275 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.755 -2.100 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.472 -1.835 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.513 -3.985 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.911 -4.125 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.393 -4.501 -4.079 1.00 0.00 H new ATOM 220 N PHE A 17 11.471 -6.081 -1.149 1.00 0.00 N ATOM 221 CA PHE A 17 12.259 -7.228 -1.583 1.00 0.00 C ATOM 222 C PHE A 17 12.758 -7.037 -3.013 1.00 0.00 C ATOM 223 O PHE A 17 11.966 -6.903 -3.945 1.00 0.00 O ATOM 224 CB PHE A 17 11.429 -8.510 -1.488 1.00 0.00 C ATOM 225 CG PHE A 17 12.230 -9.761 -1.707 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.255 -10.104 -0.840 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.957 -10.595 -2.779 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.994 -11.254 -1.040 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.693 -11.748 -2.984 1.00 0.00 C ATOM 230 CZ PHE A 17 13.712 -12.078 -2.112 1.00 0.00 C ATOM 0 H PHE A 17 10.479 -6.139 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 17 13.123 -7.313 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.959 -8.557 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.626 -8.469 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.479 -9.465 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.160 -10.342 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.792 -11.509 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.471 -12.389 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.287 -12.979 -2.268 1.00 0.00 H new ATOM 240 N GLY A 18 14.077 -7.023 -3.177 1.00 0.00 N ATOM 241 CA GLY A 18 14.659 -6.846 -4.494 1.00 0.00 C ATOM 242 C GLY A 18 15.832 -5.886 -4.486 1.00 0.00 C ATOM 243 O GLY A 18 15.847 -4.907 -5.231 1.00 0.00 O ATOM 0 H GLY A 18 14.753 -7.131 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.988 -7.813 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.896 -6.476 -5.178 1.00 0.00 H new ATOM 247 N GLY A 19 16.818 -6.165 -3.639 1.00 0.00 N ATOM 248 CA GLY A 19 17.986 -5.308 -3.551 1.00 0.00 C ATOM 249 C GLY A 19 18.914 -5.469 -4.739 1.00 0.00 C ATOM 250 O GLY A 19 18.723 -6.357 -5.570 1.00 0.00 O ATOM 0 H GLY A 19 16.829 -6.969 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.666 -4.268 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.531 -5.535 -2.635 1.00 0.00 H new ATOM 254 N LYS A 20 19.921 -4.607 -4.822 1.00 0.00 N ATOM 255 CA LYS A 20 20.883 -4.656 -5.917 1.00 0.00 C ATOM 256 C LYS A 20 22.020 -5.620 -5.599 1.00 0.00 C ATOM 257 O LYS A 20 22.297 -5.907 -4.435 1.00 0.00 O ATOM 258 CB LYS A 20 21.445 -3.259 -6.191 1.00 0.00 C ATOM 259 CG LYS A 20 20.422 -2.292 -6.760 1.00 0.00 C ATOM 260 CD LYS A 20 20.050 -2.651 -8.189 1.00 0.00 C ATOM 261 CE LYS A 20 19.333 -1.503 -8.883 1.00 0.00 C ATOM 262 NZ LYS A 20 19.475 -1.575 -10.364 1.00 0.00 N ATOM 0 H LYS A 20 20.093 -3.865 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 20 20.366 -5.014 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 20 21.843 -2.849 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 22.280 -3.343 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 20 19.527 -2.299 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 20.822 -1.279 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 20 20.950 -2.909 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.411 -3.534 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.276 -1.522 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.734 -0.555 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.973 -0.776 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.482 -1.531 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.069 -2.468 -10.709 1.00 0.00 H new ATOM 276 N GLY A 21 22.678 -6.117 -6.642 1.00 0.00 N ATOM 277 CA GLY A 21 23.779 -7.043 -6.452 1.00 0.00 C ATOM 278 C GLY A 21 23.479 -8.422 -7.006 1.00 0.00 C ATOM 279 O GLY A 21 22.534 -8.615 -7.771 1.00 0.00 O ATOM 0 H GLY A 21 22.468 -5.895 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 21 24.671 -6.646 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.003 -7.123 -5.388 1.00 0.00 H new ATOM 283 N PRO A 22 24.299 -9.411 -6.619 1.00 0.00 N ATOM 284 CA PRO A 22 24.137 -10.796 -7.071 1.00 0.00 C ATOM 285 C PRO A 22 22.898 -11.458 -6.478 1.00 0.00 C ATOM 286 O PRO A 22 22.294 -12.334 -7.098 1.00 0.00 O ATOM 287 CB PRO A 22 25.406 -11.485 -6.563 1.00 0.00 C ATOM 288 CG PRO A 22 25.838 -10.670 -5.394 1.00 0.00 C ATOM 289 CD PRO A 22 25.446 -9.253 -5.709 1.00 0.00 C ATOM 0 HA PRO A 22 24.004 -10.860 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 22 25.207 -12.517 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 22 26.177 -11.512 -7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 22 25.356 -11.014 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 22 26.914 -10.752 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 22 25.172 -8.702 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 22 26.262 -8.706 -6.182 1.00 0.00 H new ATOM 297 N ILE A 23 22.525 -11.035 -5.275 1.00 0.00 N ATOM 298 CA ILE A 23 21.356 -11.586 -4.600 1.00 0.00 C ATOM 299 C ILE A 23 20.362 -10.489 -4.237 1.00 0.00 C ATOM 300 O ILE A 23 20.656 -9.301 -4.372 1.00 0.00 O ATOM 301 CB ILE A 23 21.752 -12.348 -3.322 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.913 -11.376 -2.151 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.037 -13.131 -3.548 1.00 0.00 C ATOM 304 CD1 ILE A 23 22.949 -10.301 -2.397 1.00 0.00 C ATOM 0 H ILE A 23 23.015 -10.313 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 23 20.887 -12.280 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 23 20.958 -13.054 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.952 -10.904 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.188 -11.937 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.304 -13.664 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 23 22.889 -13.847 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.840 -12.444 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.010 -9.648 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.920 -10.765 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.664 -9.715 -3.271 1.00 0.00 H new ATOM 316 N ARG A 24 19.184 -10.894 -3.773 1.00 0.00 N ATOM 317 CA ARG A 24 18.146 -9.945 -3.390 1.00 0.00 C ATOM 318 C ARG A 24 17.862 -10.026 -1.893 1.00 0.00 C ATOM 319 O ARG A 24 17.972 -11.091 -1.286 1.00 0.00 O ATOM 320 CB ARG A 24 16.863 -10.214 -4.178 1.00 0.00 C ATOM 321 CG ARG A 24 15.989 -11.297 -3.568 1.00 0.00 C ATOM 322 CD ARG A 24 16.701 -12.640 -3.544 1.00 0.00 C ATOM 323 NE ARG A 24 15.775 -13.754 -3.727 1.00 0.00 N ATOM 324 CZ ARG A 24 16.097 -15.023 -3.500 1.00 0.00 C ATOM 325 NH1 ARG A 24 17.316 -15.336 -3.083 1.00 0.00 N ATOM 326 NH2 ARG A 24 15.199 -15.981 -3.689 1.00 0.00 N ATOM 0 H ARG A 24 18.925 -11.873 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 24 18.503 -8.941 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.288 -9.290 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.126 -10.502 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.711 -11.013 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.064 -11.384 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.456 -12.664 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.224 -12.756 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 24 14.829 -13.547 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.009 -14.602 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.561 -16.311 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.260 -15.744 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.448 -16.955 -3.514 1.00 0.00 H new ATOM 340 N GLY A 25 17.497 -8.892 -1.302 1.00 0.00 N ATOM 341 CA GLY A 25 17.204 -8.856 0.119 1.00 0.00 C ATOM 342 C GLY A 25 16.319 -7.686 0.499 1.00 0.00 C ATOM 343 O GLY A 25 16.378 -6.626 -0.126 1.00 0.00 O ATOM 0 H GLY A 25 17.399 -7.997 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.716 -9.786 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.138 -8.798 0.678 1.00 0.00 H new ATOM 347 N TRP A 26 15.496 -7.876 1.523 1.00 0.00 N ATOM 348 CA TRP A 26 14.594 -6.827 1.984 1.00 0.00 C ATOM 349 C TRP A 26 15.336 -5.506 2.152 1.00 0.00 C ATOM 350 O TRP A 26 16.562 -5.479 2.253 1.00 0.00 O ATOM 351 CB TRP A 26 13.942 -7.232 3.308 1.00 0.00 C ATOM 352 CG TRP A 26 13.206 -8.535 3.233 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.653 -9.755 3.655 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.893 -8.748 2.703 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.697 -10.713 3.419 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.608 -10.121 2.837 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.930 -7.913 2.131 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.401 -10.675 2.417 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.733 -8.464 1.715 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.476 -9.834 1.861 1.00 0.00 C ATOM 0 H TRP A 26 15.434 -8.747 2.050 1.00 0.00 H new ATOM 0 HA TRP A 26 13.818 -6.693 1.231 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.711 -7.301 4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.250 -6.449 3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.616 -9.939 4.108 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.784 -11.705 3.641 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.118 -6.856 2.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.202 -11.731 2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.982 -7.828 1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.529 -10.234 1.528 1.00 0.00 H new ATOM 371 N LYS A 27 14.585 -4.410 2.181 1.00 0.00 N ATOM 372 CA LYS A 27 15.170 -3.084 2.337 1.00 0.00 C ATOM 373 C LYS A 27 14.229 -2.161 3.104 1.00 0.00 C ATOM 374 O LYS A 27 13.042 -2.071 2.791 1.00 0.00 O ATOM 375 CB LYS A 27 15.492 -2.481 0.968 1.00 0.00 C ATOM 376 CG LYS A 27 16.438 -1.295 1.033 1.00 0.00 C ATOM 377 CD LYS A 27 17.878 -1.740 1.225 1.00 0.00 C ATOM 378 CE LYS A 27 18.854 -0.609 0.939 1.00 0.00 C ATOM 379 NZ LYS A 27 19.188 -0.517 -0.509 1.00 0.00 N ATOM 0 H LYS A 27 13.568 -4.414 2.098 1.00 0.00 H new ATOM 0 HA LYS A 27 16.093 -3.186 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.932 -3.252 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.563 -2.169 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.356 -0.712 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.146 -0.640 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.018 -2.093 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.091 -2.581 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.424 0.335 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.767 -0.764 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.855 0.266 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.622 -1.409 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.320 -0.344 -1.055 1.00 0.00 H new ATOM 393 N SER A 28 14.767 -1.475 4.107 1.00 0.00 N ATOM 394 CA SER A 28 13.974 -0.559 4.919 1.00 0.00 C ATOM 395 C SER A 28 13.485 0.621 4.086 1.00 0.00 C ATOM 396 O SER A 28 14.245 1.543 3.788 1.00 0.00 O ATOM 397 CB SER A 28 14.796 -0.054 6.106 1.00 0.00 C ATOM 398 OG SER A 28 14.948 -1.065 7.088 1.00 0.00 O ATOM 0 H SER A 28 15.749 -1.536 4.377 1.00 0.00 H new ATOM 0 HA SER A 28 13.106 -1.102 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.777 0.272 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.308 0.815 6.547 1.00 0.00 H new ATOM 0 HG SER A 28 15.478 -0.718 7.835 1.00 0.00 H new ATOM 404 N ARG A 29 12.210 0.586 3.713 1.00 0.00 N ATOM 405 CA ARG A 29 11.618 1.652 2.913 1.00 0.00 C ATOM 406 C ARG A 29 10.308 2.132 3.531 1.00 0.00 C ATOM 407 O ARG A 29 9.515 1.333 4.029 1.00 0.00 O ATOM 408 CB ARG A 29 11.372 1.168 1.483 1.00 0.00 C ATOM 409 CG ARG A 29 12.635 1.092 0.640 1.00 0.00 C ATOM 410 CD ARG A 29 13.309 2.450 0.522 1.00 0.00 C ATOM 411 NE ARG A 29 14.286 2.670 1.585 1.00 0.00 N ATOM 412 CZ ARG A 29 15.533 2.215 1.543 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.953 1.519 0.495 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.364 2.457 2.549 1.00 0.00 N ATOM 0 H ARG A 29 11.567 -0.169 3.952 1.00 0.00 H new ATOM 0 HA ARG A 29 12.317 2.488 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.908 0.182 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.662 1.838 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.328 0.378 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.388 0.720 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.803 2.526 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.553 3.234 0.557 1.00 0.00 H new ATOM 0 HE ARG A 29 13.995 3.202 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.318 1.332 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.911 1.171 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.045 2.993 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.321 2.107 2.515 1.00 0.00 H new ATOM 428 N TRP A 30 10.089 3.441 3.496 1.00 0.00 N ATOM 429 CA TRP A 30 8.875 4.028 4.053 1.00 0.00 C ATOM 430 C TRP A 30 7.742 4.007 3.033 1.00 0.00 C ATOM 431 O TRP A 30 7.936 4.355 1.868 1.00 0.00 O ATOM 432 CB TRP A 30 9.141 5.464 4.509 1.00 0.00 C ATOM 433 CG TRP A 30 7.891 6.272 4.686 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.382 7.194 3.817 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.996 6.231 5.802 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.223 7.729 4.326 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.964 7.155 5.542 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.963 5.504 6.994 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.915 7.368 6.432 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.922 5.717 7.877 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.908 6.642 7.592 1.00 0.00 C ATOM 0 H TRP A 30 10.735 4.116 3.088 1.00 0.00 H new ATOM 0 HA TRP A 30 8.574 3.431 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.688 5.443 5.452 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.783 5.956 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.825 7.463 2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.649 8.439 3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.738 4.787 7.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.134 8.081 6.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.889 5.161 8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.106 6.784 8.301 1.00 0.00 H new ATOM 452 N PHE A 31 6.559 3.597 3.477 1.00 0.00 N ATOM 453 CA PHE A 31 5.395 3.531 2.602 1.00 0.00 C ATOM 454 C PHE A 31 4.239 4.349 3.171 1.00 0.00 C ATOM 455 O PHE A 31 3.937 4.273 4.362 1.00 0.00 O ATOM 456 CB PHE A 31 4.958 2.077 2.408 1.00 0.00 C ATOM 457 CG PHE A 31 5.879 1.288 1.521 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.128 0.894 1.973 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.494 0.940 0.236 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.977 0.169 1.158 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.339 0.214 -0.583 1.00 0.00 C ATOM 462 CZ PHE A 31 7.582 -0.172 -0.121 1.00 0.00 C ATOM 0 H PHE A 31 6.381 3.305 4.438 1.00 0.00 H new ATOM 0 HA PHE A 31 5.674 3.952 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.899 1.591 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.955 2.061 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.442 1.156 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.523 1.239 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.949 -0.131 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.027 -0.051 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.244 -0.739 -0.758 1.00 0.00 H new ATOM 472 N PHE A 32 3.596 5.131 2.310 1.00 0.00 N ATOM 473 CA PHE A 32 2.475 5.965 2.726 1.00 0.00 C ATOM 474 C PHE A 32 1.424 6.053 1.623 1.00 0.00 C ATOM 475 O PHE A 32 1.755 6.205 0.446 1.00 0.00 O ATOM 476 CB PHE A 32 2.963 7.368 3.093 1.00 0.00 C ATOM 477 CG PHE A 32 3.316 8.211 1.901 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.350 8.975 1.266 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.614 8.240 1.417 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.672 9.752 0.169 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.941 9.016 0.321 1.00 0.00 C ATOM 482 CZ PHE A 32 3.969 9.772 -0.305 1.00 0.00 C ATOM 0 H PHE A 32 3.832 5.204 1.320 1.00 0.00 H new ATOM 0 HA PHE A 32 2.019 5.505 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.189 7.874 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.837 7.283 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.334 8.963 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.378 7.650 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.910 10.343 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.957 9.031 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.223 10.377 -1.163 1.00 0.00 H new ATOM 492 N TYR A 33 0.158 5.956 2.011 1.00 0.00 N ATOM 493 CA TYR A 33 -0.942 6.022 1.056 1.00 0.00 C ATOM 494 C TYR A 33 -1.378 7.465 0.825 1.00 0.00 C ATOM 495 O TYR A 33 -1.477 8.254 1.765 1.00 0.00 O ATOM 496 CB TYR A 33 -2.128 5.193 1.554 1.00 0.00 C ATOM 497 CG TYR A 33 -3.445 5.579 0.920 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.035 6.808 1.192 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.101 4.716 0.052 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.239 7.165 0.616 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.304 5.066 -0.530 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.869 6.291 -0.244 1.00 0.00 C ATOM 503 OH TYR A 33 -7.068 6.642 -0.820 1.00 0.00 O ATOM 0 H TYR A 33 -0.133 5.831 2.981 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.592 5.612 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.933 4.139 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.209 5.303 2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.544 7.495 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.663 3.755 -0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.684 8.124 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.799 4.384 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.148 6.212 -1.697 1.00 0.00 H new ATOM 513 N ASP A 34 -1.637 7.804 -0.433 1.00 0.00 N ATOM 514 CA ASP A 34 -2.064 9.152 -0.790 1.00 0.00 C ATOM 515 C ASP A 34 -3.583 9.229 -0.901 1.00 0.00 C ATOM 516 O ASP A 34 -4.216 8.358 -1.498 1.00 0.00 O ATOM 517 CB ASP A 34 -1.421 9.580 -2.110 1.00 0.00 C ATOM 518 CG ASP A 34 -1.719 11.026 -2.456 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.742 11.865 -1.531 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.931 11.319 -3.652 1.00 0.00 O ATOM 0 H ASP A 34 -1.559 7.164 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.741 9.831 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.342 9.439 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.781 8.936 -2.912 1.00 0.00 H new ATOM 525 N GLU A 35 -4.162 10.276 -0.321 1.00 0.00 N ATOM 526 CA GLU A 35 -5.607 10.465 -0.354 1.00 0.00 C ATOM 527 C GLU A 35 -5.994 11.528 -1.378 1.00 0.00 C ATOM 528 O GLU A 35 -7.021 12.193 -1.241 1.00 0.00 O ATOM 529 CB GLU A 35 -6.123 10.863 1.030 1.00 0.00 C ATOM 530 CG GLU A 35 -5.379 12.037 1.643 1.00 0.00 C ATOM 531 CD GLU A 35 -6.215 12.793 2.658 1.00 0.00 C ATOM 532 OE1 GLU A 35 -6.668 12.166 3.638 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.416 14.011 2.471 1.00 0.00 O ATOM 0 H GLU A 35 -3.652 11.006 0.177 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.064 9.520 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.181 11.113 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.045 10.005 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.470 11.675 2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.070 12.720 0.851 1.00 0.00 H new ATOM 540 N ARG A 36 -5.164 11.682 -2.405 1.00 0.00 N ATOM 541 CA ARG A 36 -5.418 12.665 -3.451 1.00 0.00 C ATOM 542 C ARG A 36 -5.686 11.979 -4.787 1.00 0.00 C ATOM 543 O ARG A 36 -6.654 12.299 -5.479 1.00 0.00 O ATOM 544 CB ARG A 36 -4.228 13.617 -3.585 1.00 0.00 C ATOM 545 CG ARG A 36 -3.883 14.345 -2.296 1.00 0.00 C ATOM 546 CD ARG A 36 -3.261 15.705 -2.573 1.00 0.00 C ATOM 547 NE ARG A 36 -3.431 16.623 -1.450 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.832 16.466 -0.275 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.028 15.431 -0.070 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.036 17.345 0.698 1.00 0.00 N ATOM 0 H ARG A 36 -4.310 11.139 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.303 13.237 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.357 13.052 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.447 14.352 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.784 14.471 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.192 13.740 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.199 15.582 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.714 16.136 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.043 17.429 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.869 14.753 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.569 15.313 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.653 18.142 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.575 17.223 1.600 1.00 0.00 H new ATOM 564 N LYS A 37 -4.823 11.034 -5.146 1.00 0.00 N ATOM 565 CA LYS A 37 -4.966 10.302 -6.399 1.00 0.00 C ATOM 566 C LYS A 37 -5.243 8.825 -6.137 1.00 0.00 C ATOM 567 O LYS A 37 -5.209 8.005 -7.055 1.00 0.00 O ATOM 568 CB LYS A 37 -3.702 10.452 -7.248 1.00 0.00 C ATOM 569 CG LYS A 37 -3.313 11.897 -7.510 1.00 0.00 C ATOM 570 CD LYS A 37 -2.168 11.995 -8.504 1.00 0.00 C ATOM 571 CE LYS A 37 -1.373 13.277 -8.313 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.048 14.447 -8.940 1.00 0.00 N ATOM 0 H LYS A 37 -4.017 10.757 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.813 10.722 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.876 9.947 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.853 9.947 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.175 12.443 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.024 12.373 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.508 11.135 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.562 11.958 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.236 13.464 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.380 13.156 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.475 15.301 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.156 14.280 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.986 14.578 -8.510 1.00 0.00 H new ATOM 586 N CYS A 38 -5.518 8.493 -4.880 1.00 0.00 N ATOM 587 CA CYS A 38 -5.801 7.114 -4.498 1.00 0.00 C ATOM 588 C CYS A 38 -4.662 6.189 -4.915 1.00 0.00 C ATOM 589 O CYS A 38 -4.894 5.124 -5.485 1.00 0.00 O ATOM 590 CB CYS A 38 -7.112 6.647 -5.132 1.00 0.00 C ATOM 591 SG CYS A 38 -7.972 5.366 -4.189 1.00 0.00 S ATOM 0 H CYS A 38 -5.551 9.160 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.896 7.076 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.774 7.505 -5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.905 6.269 -6.133 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.070 5.038 -4.804 1.00 0.00 H new ATOM 597 N GLN A 39 -3.433 6.606 -4.627 1.00 0.00 N ATOM 598 CA GLN A 39 -2.259 5.815 -4.975 1.00 0.00 C ATOM 599 C GLN A 39 -1.352 5.626 -3.764 1.00 0.00 C ATOM 600 O GLN A 39 -1.360 6.436 -2.836 1.00 0.00 O ATOM 601 CB GLN A 39 -1.482 6.488 -6.108 1.00 0.00 C ATOM 602 CG GLN A 39 -2.093 6.264 -7.482 1.00 0.00 C ATOM 603 CD GLN A 39 -1.058 6.276 -8.590 1.00 0.00 C ATOM 604 OE1 GLN A 39 0.110 5.957 -8.367 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.483 6.643 -9.793 1.00 0.00 N ATOM 0 H GLN A 39 -3.225 7.486 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.599 4.835 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.428 7.559 -5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.459 6.112 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.618 5.309 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.836 7.038 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.460 6.899 -9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.832 6.669 -10.578 1.00 0.00 H new ATOM 614 N LEU A 40 -0.572 4.551 -3.777 1.00 0.00 N ATOM 615 CA LEU A 40 0.342 4.254 -2.679 1.00 0.00 C ATOM 616 C LEU A 40 1.751 4.746 -2.994 1.00 0.00 C ATOM 617 O LEU A 40 2.438 4.186 -3.849 1.00 0.00 O ATOM 618 CB LEU A 40 0.365 2.750 -2.401 1.00 0.00 C ATOM 619 CG LEU A 40 1.299 2.288 -1.282 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.848 2.853 0.056 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.358 0.769 -1.229 1.00 0.00 C ATOM 0 H LEU A 40 -0.554 3.870 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.015 4.776 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.648 2.431 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.648 2.235 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 40 2.301 2.663 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.524 2.514 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.859 3.942 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.163 2.509 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.027 0.459 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.360 0.372 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.729 0.386 -2.180 1.00 0.00 H new ATOM 633 N TYR A 41 2.175 5.794 -2.298 1.00 0.00 N ATOM 634 CA TYR A 41 3.503 6.361 -2.503 1.00 0.00 C ATOM 635 C TYR A 41 4.454 5.942 -1.386 1.00 0.00 C ATOM 636 O TYR A 41 4.124 6.042 -0.204 1.00 0.00 O ATOM 637 CB TYR A 41 3.423 7.887 -2.574 1.00 0.00 C ATOM 638 CG TYR A 41 2.752 8.401 -3.828 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.368 8.483 -3.916 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.503 8.805 -4.925 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.752 8.951 -5.060 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.895 9.276 -6.073 1.00 0.00 C ATOM 643 CZ TYR A 41 1.519 9.347 -6.136 1.00 0.00 C ATOM 644 OH TYR A 41 0.909 9.815 -7.277 1.00 0.00 O ATOM 0 H TYR A 41 1.619 6.269 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 41 3.891 5.979 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.879 8.255 -1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.431 8.298 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.764 8.176 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.581 8.750 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.325 9.007 -5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.494 9.587 -6.916 1.00 0.00 H new ATOM 0 HH TYR A 41 1.592 10.053 -7.939 1.00 0.00 H new ATOM 654 N TYR A 42 5.636 5.473 -1.770 1.00 0.00 N ATOM 655 CA TYR A 42 6.635 5.036 -0.803 1.00 0.00 C ATOM 656 C TYR A 42 8.002 5.632 -1.125 1.00 0.00 C ATOM 657 O TYR A 42 8.419 5.668 -2.283 1.00 0.00 O ATOM 658 CB TYR A 42 6.723 3.509 -0.783 1.00 0.00 C ATOM 659 CG TYR A 42 7.336 2.922 -2.034 1.00 0.00 C ATOM 660 CD1 TYR A 42 6.610 2.845 -3.217 1.00 0.00 C ATOM 661 CD2 TYR A 42 8.641 2.444 -2.035 1.00 0.00 C ATOM 662 CE1 TYR A 42 7.165 2.308 -4.362 1.00 0.00 C ATOM 663 CE2 TYR A 42 9.205 1.907 -3.176 1.00 0.00 C ATOM 664 CZ TYR A 42 8.463 1.841 -4.337 1.00 0.00 C ATOM 665 OH TYR A 42 9.020 1.307 -5.476 1.00 0.00 O ATOM 0 H TYR A 42 5.925 5.386 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 42 6.328 5.388 0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.312 3.199 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.722 3.097 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.594 3.211 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.225 2.493 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.586 2.254 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.221 1.541 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 42 9.940 1.026 -5.289 1.00 0.00 H new ATOM 675 N SER A 43 8.697 6.097 -0.092 1.00 0.00 N ATOM 676 CA SER A 43 10.016 6.694 -0.264 1.00 0.00 C ATOM 677 C SER A 43 11.007 6.122 0.744 1.00 0.00 C ATOM 678 O SER A 43 10.628 5.379 1.650 1.00 0.00 O ATOM 679 CB SER A 43 9.935 8.214 -0.110 1.00 0.00 C ATOM 680 OG SER A 43 10.928 8.859 -0.889 1.00 0.00 O ATOM 0 H SER A 43 8.368 6.072 0.873 1.00 0.00 H new ATOM 0 HA SER A 43 10.367 6.456 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.947 8.561 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.059 8.484 0.939 1.00 0.00 H new ATOM 0 HG SER A 43 10.802 8.631 -1.834 1.00 0.00 H new ATOM 686 N ARG A 44 12.278 6.472 0.580 1.00 0.00 N ATOM 687 CA ARG A 44 13.325 5.993 1.474 1.00 0.00 C ATOM 688 C ARG A 44 13.018 6.367 2.921 1.00 0.00 C ATOM 689 O ARG A 44 13.391 5.652 3.852 1.00 0.00 O ATOM 690 CB ARG A 44 14.681 6.571 1.063 1.00 0.00 C ATOM 691 CG ARG A 44 15.024 6.339 -0.399 1.00 0.00 C ATOM 692 CD ARG A 44 16.231 7.160 -0.825 1.00 0.00 C ATOM 693 NE ARG A 44 16.984 6.513 -1.896 1.00 0.00 N ATOM 694 CZ ARG A 44 18.238 6.822 -2.203 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.877 7.765 -1.524 1.00 0.00 N ATOM 696 NH2 ARG A 44 18.857 6.188 -3.191 1.00 0.00 N ATOM 0 H ARG A 44 12.608 7.086 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 44 13.363 4.906 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.685 7.643 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.459 6.128 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.226 5.281 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.167 6.600 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.901 8.144 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.884 7.316 0.034 1.00 0.00 H new ATOM 0 HE ARG A 44 16.521 5.783 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.405 8.255 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.841 8.001 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.369 5.462 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.821 6.427 -3.426 1.00 0.00 H new ATOM 710 N THR A 45 12.334 7.493 3.103 1.00 0.00 N ATOM 711 CA THR A 45 11.978 7.963 4.436 1.00 0.00 C ATOM 712 C THR A 45 10.571 8.550 4.454 1.00 0.00 C ATOM 713 O THR A 45 9.924 8.666 3.414 1.00 0.00 O ATOM 714 CB THR A 45 12.972 9.026 4.941 1.00 0.00 C ATOM 715 OG1 THR A 45 12.740 10.271 4.272 1.00 0.00 O ATOM 716 CG2 THR A 45 14.407 8.579 4.707 1.00 0.00 C ATOM 0 H THR A 45 12.016 8.096 2.344 1.00 0.00 H new ATOM 0 HA THR A 45 12.016 7.097 5.097 1.00 0.00 H new ATOM 0 HB THR A 45 12.818 9.155 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.375 10.942 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.091 9.346 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.589 7.646 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.571 8.424 3.641 1.00 0.00 H new ATOM 724 N ALA A 46 10.105 8.920 5.642 1.00 0.00 N ATOM 725 CA ALA A 46 8.775 9.497 5.795 1.00 0.00 C ATOM 726 C ALA A 46 8.808 11.009 5.599 1.00 0.00 C ATOM 727 O ALA A 46 7.778 11.677 5.684 1.00 0.00 O ATOM 728 CB ALA A 46 8.203 9.152 7.162 1.00 0.00 C ATOM 0 H ALA A 46 10.629 8.831 6.513 1.00 0.00 H new ATOM 0 HA ALA A 46 8.130 9.071 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.210 9.590 7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.134 8.069 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.855 9.550 7.940 1.00 0.00 H new ATOM 734 N GLN A 47 9.997 11.542 5.337 1.00 0.00 N ATOM 735 CA GLN A 47 10.163 12.976 5.131 1.00 0.00 C ATOM 736 C GLN A 47 10.755 13.263 3.755 1.00 0.00 C ATOM 737 O GLN A 47 11.386 14.299 3.544 1.00 0.00 O ATOM 738 CB GLN A 47 11.060 13.568 6.219 1.00 0.00 C ATOM 739 CG GLN A 47 10.493 13.420 7.622 1.00 0.00 C ATOM 740 CD GLN A 47 10.697 12.029 8.189 1.00 0.00 C ATOM 741 OE1 GLN A 47 11.683 11.360 7.883 1.00 0.00 O ATOM 742 NE2 GLN A 47 9.761 11.587 9.022 1.00 0.00 N ATOM 0 H GLN A 47 10.859 11.003 5.262 1.00 0.00 H new ATOM 0 HA GLN A 47 9.179 13.442 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.036 13.084 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.220 14.626 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.966 14.149 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.427 13.649 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.960 12.176 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.844 10.658 9.436 1.00 0.00 H new ATOM 751 N ASP A 48 10.548 12.340 2.823 1.00 0.00 N ATOM 752 CA ASP A 48 11.060 12.494 1.466 1.00 0.00 C ATOM 753 C ASP A 48 10.140 13.383 0.635 1.00 0.00 C ATOM 754 O ASP A 48 9.040 12.977 0.262 1.00 0.00 O ATOM 755 CB ASP A 48 11.210 11.127 0.796 1.00 0.00 C ATOM 756 CG ASP A 48 12.334 11.102 -0.221 1.00 0.00 C ATOM 757 OD1 ASP A 48 12.337 11.966 -1.122 1.00 0.00 O ATOM 758 OD2 ASP A 48 13.209 10.216 -0.118 1.00 0.00 O ATOM 0 H ASP A 48 10.029 11.477 2.982 1.00 0.00 H new ATOM 0 HA ASP A 48 12.039 12.970 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.396 10.370 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.274 10.861 0.305 1.00 0.00 H new ATOM 763 N ALA A 49 10.598 14.598 0.351 1.00 0.00 N ATOM 764 CA ALA A 49 9.817 15.544 -0.436 1.00 0.00 C ATOM 765 C ALA A 49 9.228 14.874 -1.673 1.00 0.00 C ATOM 766 O ALA A 49 8.113 15.187 -2.088 1.00 0.00 O ATOM 767 CB ALA A 49 10.677 16.734 -0.837 1.00 0.00 C ATOM 0 H ALA A 49 11.506 14.950 0.654 1.00 0.00 H new ATOM 0 HA ALA A 49 8.991 15.898 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.081 17.432 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.045 17.235 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.522 16.388 -1.433 1.00 0.00 H new ATOM 773 N ASN A 50 9.985 13.952 -2.258 1.00 0.00 N ATOM 774 CA ASN A 50 9.538 13.239 -3.449 1.00 0.00 C ATOM 775 C ASN A 50 9.571 11.730 -3.225 1.00 0.00 C ATOM 776 O ASN A 50 10.603 11.151 -2.882 1.00 0.00 O ATOM 777 CB ASN A 50 10.414 13.606 -4.648 1.00 0.00 C ATOM 778 CG ASN A 50 10.715 15.092 -4.711 1.00 0.00 C ATOM 779 OD1 ASN A 50 11.875 15.500 -4.758 1.00 0.00 O ATOM 780 ND2 ASN A 50 9.667 15.908 -4.711 1.00 0.00 N ATOM 0 H ASN A 50 10.911 13.681 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 50 8.509 13.536 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.350 13.050 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.914 13.300 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.807 16.918 -4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.722 15.525 -4.671 1.00 0.00 H new ATOM 787 N PRO A 51 8.417 11.077 -3.422 1.00 0.00 N ATOM 788 CA PRO A 51 8.287 9.627 -3.248 1.00 0.00 C ATOM 789 C PRO A 51 9.028 8.845 -4.328 1.00 0.00 C ATOM 790 O PRO A 51 9.023 9.228 -5.499 1.00 0.00 O ATOM 791 CB PRO A 51 6.779 9.390 -3.356 1.00 0.00 C ATOM 792 CG PRO A 51 6.274 10.529 -4.172 1.00 0.00 C ATOM 793 CD PRO A 51 7.148 11.703 -3.831 1.00 0.00 C ATOM 0 HA PRO A 51 8.719 9.289 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.562 8.434 -3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.310 9.369 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.326 10.300 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.230 10.740 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.284 12.365 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.719 12.303 -3.029 1.00 0.00 H new ATOM 801 N LEU A 52 9.663 7.749 -3.928 1.00 0.00 N ATOM 802 CA LEU A 52 10.407 6.913 -4.863 1.00 0.00 C ATOM 803 C LEU A 52 9.522 6.472 -6.024 1.00 0.00 C ATOM 804 O LEU A 52 9.828 6.738 -7.187 1.00 0.00 O ATOM 805 CB LEU A 52 10.971 5.686 -4.143 1.00 0.00 C ATOM 806 CG LEU A 52 12.186 5.933 -3.248 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.577 4.659 -2.515 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.355 6.459 -4.068 1.00 0.00 C ATOM 0 H LEU A 52 9.678 7.419 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 52 11.231 7.504 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.179 5.251 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.242 4.942 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 52 11.920 6.687 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.443 4.854 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.744 4.325 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.824 3.883 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.211 6.629 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.621 5.729 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.072 7.397 -4.546 1.00 0.00 H new ATOM 820 N ASP A 53 8.423 5.799 -5.701 1.00 0.00 N ATOM 821 CA ASP A 53 7.491 5.324 -6.717 1.00 0.00 C ATOM 822 C ASP A 53 6.081 5.205 -6.148 1.00 0.00 C ATOM 823 O ASP A 53 5.889 5.220 -4.932 1.00 0.00 O ATOM 824 CB ASP A 53 7.948 3.972 -7.267 1.00 0.00 C ATOM 825 CG ASP A 53 7.125 3.523 -8.459 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.700 4.394 -9.248 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.907 2.303 -8.603 1.00 0.00 O ATOM 0 H ASP A 53 8.156 5.570 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 53 7.476 6.051 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.997 4.037 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.881 3.221 -6.480 1.00 0.00 H new ATOM 832 N SER A 54 5.098 5.088 -7.035 1.00 0.00 N ATOM 833 CA SER A 54 3.705 4.971 -6.620 1.00 0.00 C ATOM 834 C SER A 54 3.050 3.749 -7.256 1.00 0.00 C ATOM 835 O SER A 54 3.488 3.269 -8.302 1.00 0.00 O ATOM 836 CB SER A 54 2.930 6.234 -7.001 1.00 0.00 C ATOM 837 OG SER A 54 2.643 6.258 -8.388 1.00 0.00 O ATOM 0 H SER A 54 5.240 5.072 -8.045 1.00 0.00 H new ATOM 0 HA SER A 54 3.683 4.852 -5.537 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.000 6.279 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.511 7.116 -6.732 1.00 0.00 H new ATOM 0 HG SER A 54 1.695 6.468 -8.522 1.00 0.00 H new ATOM 843 N ILE A 55 1.998 3.249 -6.616 1.00 0.00 N ATOM 844 CA ILE A 55 1.281 2.084 -7.119 1.00 0.00 C ATOM 845 C ILE A 55 -0.226 2.315 -7.100 1.00 0.00 C ATOM 846 O ILE A 55 -0.810 2.585 -6.051 1.00 0.00 O ATOM 847 CB ILE A 55 1.606 0.824 -6.294 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.117 0.589 -6.255 1.00 0.00 C ATOM 849 CG2 ILE A 55 0.891 -0.387 -6.873 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.824 1.380 -5.176 1.00 0.00 C ATOM 0 H ILE A 55 1.624 3.633 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 55 1.610 1.931 -8.147 1.00 0.00 H new ATOM 0 HB ILE A 55 1.255 0.975 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.307 -0.473 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.542 0.851 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.131 -1.269 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.186 -0.218 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.215 -0.543 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.892 1.164 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.664 2.445 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.426 1.101 -4.200 1.00 0.00 H new ATOM 862 N ASP A 56 -0.850 2.206 -8.268 1.00 0.00 N ATOM 863 CA ASP A 56 -2.291 2.400 -8.386 1.00 0.00 C ATOM 864 C ASP A 56 -3.049 1.245 -7.741 1.00 0.00 C ATOM 865 O ASP A 56 -3.182 0.170 -8.328 1.00 0.00 O ATOM 866 CB ASP A 56 -2.690 2.530 -9.857 1.00 0.00 C ATOM 867 CG ASP A 56 -4.176 2.772 -10.034 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.756 3.522 -9.221 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.760 2.211 -10.985 1.00 0.00 O ATOM 0 H ASP A 56 -0.381 1.984 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.553 3.320 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.135 3.351 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.407 1.622 -10.389 1.00 0.00 H new ATOM 874 N LEU A 57 -3.545 1.473 -6.530 1.00 0.00 N ATOM 875 CA LEU A 57 -4.290 0.450 -5.803 1.00 0.00 C ATOM 876 C LEU A 57 -5.630 0.172 -6.476 1.00 0.00 C ATOM 877 O LEU A 57 -6.201 -0.908 -6.323 1.00 0.00 O ATOM 878 CB LEU A 57 -4.515 0.888 -4.355 1.00 0.00 C ATOM 879 CG LEU A 57 -3.279 1.380 -3.602 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.665 1.920 -2.234 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.257 0.261 -3.467 1.00 0.00 C ATOM 0 H LEU A 57 -3.445 2.357 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.702 -0.468 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.260 1.684 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.941 0.049 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.828 2.191 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.772 2.265 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.359 2.752 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.141 1.131 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.384 0.629 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.698 -0.571 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.956 -0.078 -4.458 1.00 0.00 H new ATOM 893 N SER A 58 -6.126 1.152 -7.224 1.00 0.00 N ATOM 894 CA SER A 58 -7.400 1.014 -7.920 1.00 0.00 C ATOM 895 C SER A 58 -7.477 -0.323 -8.651 1.00 0.00 C ATOM 896 O SER A 58 -8.544 -0.928 -8.751 1.00 0.00 O ATOM 897 CB SER A 58 -7.591 2.162 -8.912 1.00 0.00 C ATOM 898 OG SER A 58 -7.545 3.417 -8.255 1.00 0.00 O ATOM 0 H SER A 58 -5.665 2.051 -7.364 1.00 0.00 H new ATOM 0 HA SER A 58 -8.197 1.049 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.815 2.119 -9.676 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.547 2.050 -9.423 1.00 0.00 H new ATOM 0 HG SER A 58 -6.655 3.812 -8.367 1.00 0.00 H new ATOM 904 N SER A 59 -6.337 -0.778 -9.161 1.00 0.00 N ATOM 905 CA SER A 59 -6.274 -2.041 -9.887 1.00 0.00 C ATOM 906 C SER A 59 -5.180 -2.940 -9.319 1.00 0.00 C ATOM 907 O SER A 59 -4.626 -3.783 -10.024 1.00 0.00 O ATOM 908 CB SER A 59 -6.020 -1.787 -11.374 1.00 0.00 C ATOM 909 OG SER A 59 -7.236 -1.575 -12.070 1.00 0.00 O ATOM 0 H SER A 59 -5.444 -0.291 -9.085 1.00 0.00 H new ATOM 0 HA SER A 59 -7.233 -2.547 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.373 -0.918 -11.492 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.493 -2.638 -11.807 1.00 0.00 H new ATOM 0 HG SER A 59 -7.047 -1.413 -13.018 1.00 0.00 H new ATOM 915 N ALA A 60 -4.875 -2.753 -8.039 1.00 0.00 N ATOM 916 CA ALA A 60 -3.849 -3.548 -7.375 1.00 0.00 C ATOM 917 C ALA A 60 -4.469 -4.528 -6.385 1.00 0.00 C ATOM 918 O ALA A 60 -5.401 -4.184 -5.656 1.00 0.00 O ATOM 919 CB ALA A 60 -2.854 -2.640 -6.668 1.00 0.00 C ATOM 0 H ALA A 60 -5.323 -2.058 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.322 -4.125 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.093 -3.247 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.379 -1.983 -7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.376 -2.039 -5.923 1.00 0.00 H new ATOM 925 N VAL A 61 -3.948 -5.750 -6.364 1.00 0.00 N ATOM 926 CA VAL A 61 -4.451 -6.781 -5.463 1.00 0.00 C ATOM 927 C VAL A 61 -3.384 -7.199 -4.457 1.00 0.00 C ATOM 928 O VAL A 61 -2.238 -7.460 -4.823 1.00 0.00 O ATOM 929 CB VAL A 61 -4.924 -8.023 -6.239 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.089 -8.218 -7.496 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.866 -9.259 -5.354 1.00 0.00 C ATOM 0 H VAL A 61 -3.177 -6.051 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.299 -6.350 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.960 -7.868 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.438 -9.101 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.187 -7.342 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.043 -8.351 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.204 -10.127 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.841 -9.420 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.512 -9.117 -4.487 1.00 0.00 H new ATOM 941 N PHE A 62 -3.769 -7.262 -3.186 1.00 0.00 N ATOM 942 CA PHE A 62 -2.845 -7.649 -2.126 1.00 0.00 C ATOM 943 C PHE A 62 -3.056 -9.106 -1.727 1.00 0.00 C ATOM 944 O PHE A 62 -4.168 -9.516 -1.395 1.00 0.00 O ATOM 945 CB PHE A 62 -3.027 -6.742 -0.907 1.00 0.00 C ATOM 946 CG PHE A 62 -3.543 -5.374 -1.249 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.745 -4.468 -1.928 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.826 -4.993 -0.890 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.217 -3.208 -2.245 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.304 -3.735 -1.204 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.498 -2.841 -1.881 1.00 0.00 C ATOM 0 H PHE A 62 -4.714 -7.050 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.829 -7.538 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.717 -7.218 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.071 -6.643 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.742 -4.749 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.460 -5.687 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.585 -2.512 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.307 -3.451 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.869 -1.856 -2.125 1.00 0.00 H new ATOM 961 N ASP A 63 -1.979 -9.884 -1.761 1.00 0.00 N ATOM 962 CA ASP A 63 -2.045 -11.296 -1.403 1.00 0.00 C ATOM 963 C ASP A 63 -1.061 -11.618 -0.282 1.00 0.00 C ATOM 964 O ASP A 63 -0.101 -10.880 -0.054 1.00 0.00 O ATOM 965 CB ASP A 63 -1.749 -12.168 -2.624 1.00 0.00 C ATOM 966 CG ASP A 63 -1.809 -13.649 -2.305 1.00 0.00 C ATOM 967 OD1 ASP A 63 -2.783 -14.076 -1.650 1.00 0.00 O ATOM 968 OD2 ASP A 63 -0.881 -14.381 -2.709 1.00 0.00 O ATOM 0 H ASP A 63 -1.051 -9.561 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.054 -11.510 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.466 -11.940 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.760 -11.922 -3.011 1.00 0.00 H new ATOM 973 N CYS A 64 -1.306 -12.722 0.415 1.00 0.00 N ATOM 974 CA CYS A 64 -0.442 -13.141 1.513 1.00 0.00 C ATOM 975 C CYS A 64 0.481 -14.274 1.077 1.00 0.00 C ATOM 976 O CYS A 64 0.027 -15.298 0.567 1.00 0.00 O ATOM 977 CB CYS A 64 -1.284 -13.584 2.710 1.00 0.00 C ATOM 978 SG CYS A 64 -2.162 -15.145 2.459 1.00 0.00 S ATOM 0 H CYS A 64 -2.096 -13.343 0.239 1.00 0.00 H new ATOM 0 HA CYS A 64 0.172 -12.289 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.635 -13.680 3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.010 -12.804 2.938 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.614 -15.798 1.477 1.00 0.00 H new ATOM 984 N LYS A 65 1.780 -14.083 1.280 1.00 0.00 N ATOM 985 CA LYS A 65 2.769 -15.088 0.909 1.00 0.00 C ATOM 986 C LYS A 65 2.478 -16.417 1.597 1.00 0.00 C ATOM 987 O LYS A 65 1.521 -16.535 2.361 1.00 0.00 O ATOM 988 CB LYS A 65 4.175 -14.608 1.274 1.00 0.00 C ATOM 989 CG LYS A 65 4.845 -13.795 0.180 1.00 0.00 C ATOM 990 CD LYS A 65 5.265 -14.672 -0.988 1.00 0.00 C ATOM 991 CE LYS A 65 6.598 -15.353 -0.722 1.00 0.00 C ATOM 992 NZ LYS A 65 7.289 -15.733 -1.986 1.00 0.00 N ATOM 0 H LYS A 65 2.173 -13.240 1.700 1.00 0.00 H new ATOM 0 HA LYS A 65 2.712 -15.238 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.120 -14.005 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.797 -15.473 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.161 -13.022 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.719 -13.286 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.500 -15.426 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.338 -14.066 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.238 -14.686 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.436 -16.244 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.194 -16.194 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.690 -16.390 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.467 -14.880 -2.554 1.00 0.00 H new ATOM 1006 N ALA A 66 3.312 -17.415 1.323 1.00 0.00 N ATOM 1007 CA ALA A 66 3.146 -18.735 1.919 1.00 0.00 C ATOM 1008 C ALA A 66 3.484 -18.712 3.406 1.00 0.00 C ATOM 1009 O ALA A 66 2.873 -19.425 4.202 1.00 0.00 O ATOM 1010 CB ALA A 66 4.013 -19.754 1.194 1.00 0.00 C ATOM 0 H ALA A 66 4.109 -17.334 0.692 1.00 0.00 H new ATOM 0 HA ALA A 66 2.100 -19.025 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.879 -20.735 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.722 -19.798 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.060 -19.459 1.268 1.00 0.00 H new ATOM 1016 N ASP A 67 4.461 -17.890 3.773 1.00 0.00 N ATOM 1017 CA ASP A 67 4.880 -17.775 5.165 1.00 0.00 C ATOM 1018 C ASP A 67 4.204 -16.585 5.839 1.00 0.00 C ATOM 1019 O ASP A 67 4.805 -15.907 6.672 1.00 0.00 O ATOM 1020 CB ASP A 67 6.400 -17.630 5.252 1.00 0.00 C ATOM 1021 CG ASP A 67 6.963 -18.197 6.540 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.747 -19.399 6.805 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.620 -17.440 7.284 1.00 0.00 O ATOM 0 H ASP A 67 4.977 -17.294 3.126 1.00 0.00 H new ATOM 0 HA ASP A 67 4.579 -18.684 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.860 -18.137 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.666 -16.576 5.175 1.00 0.00 H new ATOM 1028 N ALA A 68 2.951 -16.336 5.472 1.00 0.00 N ATOM 1029 CA ALA A 68 2.193 -15.229 6.041 1.00 0.00 C ATOM 1030 C ALA A 68 2.229 -15.266 7.565 1.00 0.00 C ATOM 1031 O ALA A 68 2.098 -14.234 8.223 1.00 0.00 O ATOM 1032 CB ALA A 68 0.756 -15.263 5.544 1.00 0.00 C ATOM 0 H ALA A 68 2.439 -16.887 4.783 1.00 0.00 H new ATOM 0 HA ALA A 68 2.656 -14.298 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.201 -14.430 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.745 -15.180 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.290 -16.203 5.841 1.00 0.00 H new ATOM 1038 N GLU A 69 2.406 -16.461 8.120 1.00 0.00 N ATOM 1039 CA GLU A 69 2.457 -16.631 9.567 1.00 0.00 C ATOM 1040 C GLU A 69 3.386 -15.600 10.203 1.00 0.00 C ATOM 1041 O GLU A 69 3.261 -15.284 11.386 1.00 0.00 O ATOM 1042 CB GLU A 69 2.927 -18.043 9.921 1.00 0.00 C ATOM 1043 CG GLU A 69 4.275 -18.405 9.320 1.00 0.00 C ATOM 1044 CD GLU A 69 5.033 -19.418 10.156 1.00 0.00 C ATOM 1045 OE1 GLU A 69 4.821 -20.632 9.953 1.00 0.00 O ATOM 1046 OE2 GLU A 69 5.839 -18.997 11.012 1.00 0.00 O ATOM 0 H GLU A 69 2.516 -17.325 7.589 1.00 0.00 H new ATOM 0 HA GLU A 69 1.452 -16.481 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.986 -18.136 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.182 -18.761 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.126 -18.806 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.877 -17.502 9.216 1.00 0.00 H new ATOM 1053 N GLU A 70 4.317 -15.081 9.409 1.00 0.00 N ATOM 1054 CA GLU A 70 5.267 -14.087 9.895 1.00 0.00 C ATOM 1055 C GLU A 70 4.746 -12.673 9.655 1.00 0.00 C ATOM 1056 O GLU A 70 4.932 -11.782 10.483 1.00 0.00 O ATOM 1057 CB GLU A 70 6.622 -14.266 9.208 1.00 0.00 C ATOM 1058 CG GLU A 70 7.484 -13.015 9.227 1.00 0.00 C ATOM 1059 CD GLU A 70 8.959 -13.320 9.049 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.428 -14.331 9.611 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.644 -12.546 8.348 1.00 0.00 O ATOM 0 H GLU A 70 4.434 -15.332 8.427 1.00 0.00 H new ATOM 0 HA GLU A 70 5.389 -14.233 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.163 -15.077 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.458 -14.569 8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.158 -12.342 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.337 -12.491 10.171 1.00 0.00 H new ATOM 1068 N GLY A 71 4.092 -12.475 8.515 1.00 0.00 N ATOM 1069 CA GLY A 71 3.554 -11.168 8.185 1.00 0.00 C ATOM 1070 C GLY A 71 4.095 -10.633 6.874 1.00 0.00 C ATOM 1071 O GLY A 71 4.722 -9.573 6.840 1.00 0.00 O ATOM 0 H GLY A 71 3.925 -13.197 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.467 -11.230 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.792 -10.468 8.986 1.00 0.00 H new ATOM 1075 N ILE A 72 3.853 -11.366 5.793 1.00 0.00 N ATOM 1076 CA ILE A 72 4.321 -10.959 4.473 1.00 0.00 C ATOM 1077 C ILE A 72 3.172 -10.921 3.471 1.00 0.00 C ATOM 1078 O ILE A 72 2.267 -11.753 3.516 1.00 0.00 O ATOM 1079 CB ILE A 72 5.415 -11.905 3.947 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.397 -12.258 5.067 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.147 -11.269 2.775 1.00 0.00 C ATOM 1082 CD1 ILE A 72 5.941 -13.416 5.927 1.00 0.00 C ATOM 0 H ILE A 72 3.336 -12.245 5.805 1.00 0.00 H new ATOM 0 HA ILE A 72 4.740 -9.958 4.581 1.00 0.00 H new ATOM 0 HB ILE A 72 4.943 -12.824 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.365 -12.501 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.545 -11.382 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.918 -11.950 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.439 -11.064 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.610 -10.336 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.685 -13.611 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.988 -13.169 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.821 -14.304 5.307 1.00 0.00 H new ATOM 1094 N PHE A 73 3.217 -9.949 2.565 1.00 0.00 N ATOM 1095 CA PHE A 73 2.181 -9.802 1.549 1.00 0.00 C ATOM 1096 C PHE A 73 2.790 -9.425 0.202 1.00 0.00 C ATOM 1097 O PHE A 73 3.997 -9.217 0.092 1.00 0.00 O ATOM 1098 CB PHE A 73 1.164 -8.743 1.978 1.00 0.00 C ATOM 1099 CG PHE A 73 1.790 -7.437 2.377 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.528 -7.337 3.546 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.642 -6.311 1.584 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.105 -6.137 3.916 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.217 -5.108 1.948 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.950 -5.021 3.116 1.00 0.00 C ATOM 0 H PHE A 73 3.960 -9.252 2.514 1.00 0.00 H new ATOM 0 HA PHE A 73 1.673 -10.760 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.467 -8.567 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.582 -9.128 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.653 -8.206 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.070 -6.374 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.677 -6.071 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.094 -4.238 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.401 -4.083 3.403 1.00 0.00 H new ATOM 1114 N GLU A 74 1.943 -9.338 -0.819 1.00 0.00 N ATOM 1115 CA GLU A 74 2.398 -8.986 -2.159 1.00 0.00 C ATOM 1116 C GLU A 74 1.317 -8.222 -2.918 1.00 0.00 C ATOM 1117 O GLU A 74 0.157 -8.636 -2.953 1.00 0.00 O ATOM 1118 CB GLU A 74 2.787 -10.245 -2.936 1.00 0.00 C ATOM 1119 CG GLU A 74 4.224 -10.682 -2.707 1.00 0.00 C ATOM 1120 CD GLU A 74 4.531 -12.030 -3.330 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.619 -12.881 -3.381 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.683 -12.234 -3.767 1.00 0.00 O ATOM 0 H GLU A 74 0.940 -9.506 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 74 3.272 -8.343 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.119 -11.058 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.636 -10.066 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.898 -9.932 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.419 -10.728 -1.636 1.00 0.00 H new ATOM 1129 N ILE A 75 1.704 -7.104 -3.522 1.00 0.00 N ATOM 1130 CA ILE A 75 0.769 -6.282 -4.280 1.00 0.00 C ATOM 1131 C ILE A 75 0.931 -6.506 -5.780 1.00 0.00 C ATOM 1132 O ILE A 75 1.888 -6.031 -6.390 1.00 0.00 O ATOM 1133 CB ILE A 75 0.959 -4.784 -3.973 1.00 0.00 C ATOM 1134 CG1 ILE A 75 1.042 -4.558 -2.462 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.179 -3.972 -4.573 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.002 -3.099 -2.066 1.00 0.00 C ATOM 0 H ILE A 75 2.659 -6.746 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.234 -6.583 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 75 1.894 -4.451 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.216 -5.080 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.963 -5.003 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.031 -2.916 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.197 -4.113 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.126 -4.304 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.065 -3.015 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.843 -2.576 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.069 -2.654 -2.411 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.014 -7.231 -6.369 1.00 0.00 N ATOM 1149 CA LYS A 76 0.020 -7.516 -7.798 1.00 0.00 C ATOM 1150 C LYS A 76 -0.601 -6.374 -8.596 1.00 0.00 C ATOM 1151 O LYS A 76 -1.752 -5.999 -8.370 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.720 -8.822 -8.096 1.00 0.00 C ATOM 1153 CG LYS A 76 0.149 -10.060 -7.954 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.657 -11.255 -7.473 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.661 -11.349 -5.954 1.00 0.00 C ATOM 1156 NZ LYS A 76 -1.832 -10.650 -5.358 1.00 0.00 N ATOM 0 H LYS A 76 -0.813 -7.632 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 76 1.063 -7.620 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.573 -8.908 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.117 -8.781 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.610 -10.294 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.958 -9.859 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.681 -11.174 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.240 -12.170 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.673 -12.397 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.259 -10.916 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.589 -10.319 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.089 -9.836 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.637 -11.306 -5.303 1.00 0.00 H new ATOM 1170 N THR A 77 0.168 -5.825 -9.532 1.00 0.00 N ATOM 1171 CA THR A 77 -0.307 -4.726 -10.363 1.00 0.00 C ATOM 1172 C THR A 77 -0.058 -5.007 -11.841 1.00 0.00 C ATOM 1173 O THR A 77 0.861 -5.738 -12.212 1.00 0.00 O ATOM 1174 CB THR A 77 0.375 -3.399 -9.983 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.769 -3.455 -10.301 1.00 0.00 O ATOM 1176 CG2 THR A 77 0.199 -3.106 -8.500 1.00 0.00 C ATOM 0 H THR A 77 1.122 -6.124 -9.733 1.00 0.00 H new ATOM 0 HA THR A 77 -1.379 -4.638 -10.188 1.00 0.00 H new ATOM 0 HB THR A 77 -0.095 -2.598 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.271 -3.766 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.689 -2.164 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.863 -3.034 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.645 -3.910 -7.915 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.894 -4.414 -12.706 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.783 -4.585 -14.157 1.00 0.00 C ATOM 1186 C PRO A 78 0.453 -3.899 -14.729 1.00 0.00 C ATOM 1187 O PRO A 78 0.650 -3.865 -15.944 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.056 -3.924 -14.691 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.433 -2.931 -13.646 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.011 -3.530 -12.334 1.00 0.00 C ATOM 0 HA PRO A 78 -0.681 -5.634 -14.437 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.878 -3.440 -15.651 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.848 -4.657 -14.845 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.935 -1.976 -13.817 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.506 -2.738 -13.660 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.698 -2.764 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.824 -4.085 -11.866 1.00 0.00 H new ATOM 1198 N SER A 79 1.283 -3.353 -13.846 1.00 0.00 N ATOM 1199 CA SER A 79 2.499 -2.664 -14.263 1.00 0.00 C ATOM 1200 C SER A 79 3.737 -3.362 -13.708 1.00 0.00 C ATOM 1201 O SER A 79 4.707 -3.597 -14.429 1.00 0.00 O ATOM 1202 CB SER A 79 2.470 -1.206 -13.799 1.00 0.00 C ATOM 1203 OG SER A 79 3.726 -0.582 -14.001 1.00 0.00 O ATOM 0 H SER A 79 1.136 -3.374 -12.837 1.00 0.00 H new ATOM 0 HA SER A 79 2.546 -2.690 -15.352 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.698 -0.663 -14.345 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.204 -1.162 -12.743 1.00 0.00 H new ATOM 0 HG SER A 79 3.681 0.349 -13.698 1.00 0.00 H new ATOM 1209 N ARG A 80 3.695 -3.691 -12.421 1.00 0.00 N ATOM 1210 CA ARG A 80 4.813 -4.360 -11.767 1.00 0.00 C ATOM 1211 C ARG A 80 4.397 -4.910 -10.406 1.00 0.00 C ATOM 1212 O ARG A 80 3.966 -4.163 -9.528 1.00 0.00 O ATOM 1213 CB ARG A 80 5.988 -3.394 -11.601 1.00 0.00 C ATOM 1214 CG ARG A 80 5.672 -2.199 -10.717 1.00 0.00 C ATOM 1215 CD ARG A 80 6.817 -1.197 -10.706 1.00 0.00 C ATOM 1216 NE ARG A 80 6.732 -0.257 -11.820 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.511 0.812 -11.940 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.429 1.075 -11.019 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.374 1.621 -12.983 1.00 0.00 N ATOM 0 H ARG A 80 2.899 -3.505 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 80 5.123 -5.193 -12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.835 -3.934 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.296 -3.037 -12.584 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.764 -1.712 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.474 -2.539 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.808 -0.646 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.766 -1.731 -10.754 1.00 0.00 H new ATOM 0 HE ARG A 80 6.036 -0.431 -12.546 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.538 0.455 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.026 1.897 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.670 1.422 -13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.973 2.442 -13.074 1.00 0.00 H new ATOM 1233 N VAL A 81 4.527 -6.223 -10.239 1.00 0.00 N ATOM 1234 CA VAL A 81 4.165 -6.873 -8.985 1.00 0.00 C ATOM 1235 C VAL A 81 5.191 -6.578 -7.896 1.00 0.00 C ATOM 1236 O VAL A 81 6.368 -6.915 -8.030 1.00 0.00 O ATOM 1237 CB VAL A 81 4.043 -8.399 -9.159 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.746 -9.066 -7.825 1.00 0.00 C ATOM 1239 CG2 VAL A 81 2.969 -8.733 -10.183 1.00 0.00 C ATOM 0 H VAL A 81 4.880 -6.857 -10.956 1.00 0.00 H new ATOM 0 HA VAL A 81 3.197 -6.469 -8.687 1.00 0.00 H new ATOM 0 HB VAL A 81 4.995 -8.784 -9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.663 -10.143 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.553 -8.854 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.808 -8.680 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.896 -9.815 -10.294 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.011 -8.337 -9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.230 -8.287 -11.143 1.00 0.00 H new ATOM 1249 N ILE A 82 4.736 -5.946 -6.819 1.00 0.00 N ATOM 1250 CA ILE A 82 5.614 -5.606 -5.706 1.00 0.00 C ATOM 1251 C ILE A 82 5.445 -6.589 -4.553 1.00 0.00 C ATOM 1252 O ILE A 82 4.379 -7.182 -4.378 1.00 0.00 O ATOM 1253 CB ILE A 82 5.347 -4.179 -5.194 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.450 -3.173 -6.342 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.323 -3.824 -4.082 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.837 -3.075 -6.937 1.00 0.00 C ATOM 0 H ILE A 82 3.765 -5.659 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 82 6.636 -5.662 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 82 4.335 -4.138 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.746 -3.455 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.148 -2.190 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.122 -2.812 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.204 -4.525 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.343 -3.880 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.835 -2.343 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.542 -2.763 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.134 -4.048 -7.329 1.00 0.00 H new ATOM 1268 N THR A 83 6.502 -6.757 -3.765 1.00 0.00 N ATOM 1269 CA THR A 83 6.471 -7.667 -2.627 1.00 0.00 C ATOM 1270 C THR A 83 6.926 -6.967 -1.351 1.00 0.00 C ATOM 1271 O THR A 83 8.101 -6.629 -1.201 1.00 0.00 O ATOM 1272 CB THR A 83 7.362 -8.899 -2.869 1.00 0.00 C ATOM 1273 OG1 THR A 83 6.930 -9.593 -4.044 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.321 -9.840 -1.674 1.00 0.00 C ATOM 0 H THR A 83 7.391 -6.274 -3.894 1.00 0.00 H new ATOM 0 HA THR A 83 5.437 -7.993 -2.511 1.00 0.00 H new ATOM 0 HB THR A 83 8.388 -8.556 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.672 -10.508 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.958 -10.703 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.679 -9.317 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.297 -10.175 -1.510 1.00 0.00 H new ATOM 1282 N LEU A 84 5.990 -6.753 -0.433 1.00 0.00 N ATOM 1283 CA LEU A 84 6.295 -6.094 0.832 1.00 0.00 C ATOM 1284 C LEU A 84 5.798 -6.924 2.012 1.00 0.00 C ATOM 1285 O LEU A 84 4.782 -7.612 1.917 1.00 0.00 O ATOM 1286 CB LEU A 84 5.662 -4.702 0.870 1.00 0.00 C ATOM 1287 CG LEU A 84 5.749 -3.890 -0.422 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.963 -2.594 -0.292 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.201 -3.602 -0.774 1.00 0.00 C ATOM 0 H LEU A 84 5.013 -7.026 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 84 7.378 -5.996 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.611 -4.810 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.137 -4.130 1.667 1.00 0.00 H new ATOM 0 HG LEU A 84 5.310 -4.478 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.036 -2.029 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.917 -2.822 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.372 -2.001 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.244 -3.023 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.665 -3.034 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.736 -4.542 -0.910 1.00 0.00 H new ATOM 1301 N LYS A 85 6.521 -6.852 3.125 1.00 0.00 N ATOM 1302 CA LYS A 85 6.153 -7.593 4.325 1.00 0.00 C ATOM 1303 C LYS A 85 6.029 -6.659 5.525 1.00 0.00 C ATOM 1304 O LYS A 85 6.745 -5.663 5.624 1.00 0.00 O ATOM 1305 CB LYS A 85 7.191 -8.680 4.617 1.00 0.00 C ATOM 1306 CG LYS A 85 8.356 -8.197 5.463 1.00 0.00 C ATOM 1307 CD LYS A 85 9.595 -9.048 5.243 1.00 0.00 C ATOM 1308 CE LYS A 85 10.600 -8.872 6.371 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.645 -9.932 6.354 1.00 0.00 N ATOM 0 H LYS A 85 7.365 -6.288 3.220 1.00 0.00 H new ATOM 0 HA LYS A 85 5.185 -8.061 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.702 -9.510 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.574 -9.067 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.579 -7.158 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.078 -8.224 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.309 -10.097 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.060 -8.778 4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.074 -7.894 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.079 -8.892 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.375 -9.711 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.212 -10.850 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.080 -9.976 5.410 1.00 0.00 H new ATOM 1323 N ALA A 86 5.118 -6.988 6.434 1.00 0.00 N ATOM 1324 CA ALA A 86 4.903 -6.180 7.628 1.00 0.00 C ATOM 1325 C ALA A 86 5.551 -6.823 8.849 1.00 0.00 C ATOM 1326 O ALA A 86 6.089 -7.927 8.770 1.00 0.00 O ATOM 1327 CB ALA A 86 3.415 -5.974 7.865 1.00 0.00 C ATOM 0 H ALA A 86 4.516 -7.809 6.367 1.00 0.00 H new ATOM 0 HA ALA A 86 5.372 -5.209 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.269 -5.369 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.977 -5.464 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.930 -6.941 7.998 1.00 0.00 H new ATOM 1333 N ALA A 87 5.497 -6.124 9.979 1.00 0.00 N ATOM 1334 CA ALA A 87 6.078 -6.628 11.217 1.00 0.00 C ATOM 1335 C ALA A 87 5.604 -8.048 11.508 1.00 0.00 C ATOM 1336 O ALA A 87 6.359 -9.009 11.359 1.00 0.00 O ATOM 1337 CB ALA A 87 5.731 -5.706 12.376 1.00 0.00 C ATOM 0 H ALA A 87 5.057 -5.208 10.062 1.00 0.00 H new ATOM 0 HA ALA A 87 7.161 -6.652 11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.171 -6.094 13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.125 -4.709 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.648 -5.653 12.487 1.00 0.00 H new ATOM 1343 N THR A 88 4.348 -8.174 11.925 1.00 0.00 N ATOM 1344 CA THR A 88 3.774 -9.476 12.239 1.00 0.00 C ATOM 1345 C THR A 88 2.576 -9.778 11.346 1.00 0.00 C ATOM 1346 O THR A 88 2.237 -8.996 10.457 1.00 0.00 O ATOM 1347 CB THR A 88 3.334 -9.556 13.713 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.238 -8.665 13.946 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.487 -9.203 14.641 1.00 0.00 C ATOM 0 H THR A 88 3.709 -7.389 12.053 1.00 0.00 H new ATOM 0 HA THR A 88 4.554 -10.216 12.060 1.00 0.00 H new ATOM 0 HB THR A 88 3.020 -10.579 13.921 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.963 -8.723 14.885 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.153 -9.266 15.677 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.309 -9.901 14.482 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.826 -8.189 14.430 1.00 0.00 H new ATOM 1357 N LYS A 89 1.936 -10.917 11.588 1.00 0.00 N ATOM 1358 CA LYS A 89 0.773 -11.323 10.808 1.00 0.00 C ATOM 1359 C LYS A 89 -0.379 -10.342 10.998 1.00 0.00 C ATOM 1360 O LYS A 89 -1.105 -10.033 10.053 1.00 0.00 O ATOM 1361 CB LYS A 89 0.329 -12.731 11.210 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.939 -13.192 10.512 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.630 -13.882 9.193 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.841 -14.631 8.659 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.185 -15.806 9.508 1.00 0.00 N ATOM 0 H LYS A 89 2.204 -11.576 12.319 1.00 0.00 H new ATOM 0 HA LYS A 89 1.056 -11.325 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.132 -13.433 10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.171 -12.759 12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.485 -13.875 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.589 -12.335 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.307 -13.142 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.198 -14.578 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.695 -13.955 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.642 -14.965 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.797 -16.454 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.313 -16.302 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.685 -15.484 10.361 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.540 -9.855 12.224 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.604 -8.908 12.536 1.00 0.00 C ATOM 1381 C GLN A 90 -1.342 -7.558 11.876 1.00 0.00 C ATOM 1382 O GLN A 90 -2.263 -6.769 11.668 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.731 -8.732 14.050 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.149 -8.438 14.511 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.190 -7.589 15.767 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.608 -7.947 16.791 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.881 -6.457 15.695 1.00 0.00 N ATOM 0 H GLN A 90 0.052 -10.100 13.017 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.539 -9.309 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.378 -9.637 14.544 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.078 -7.919 14.369 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.688 -7.926 13.713 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.669 -9.378 14.695 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.348 -6.199 14.826 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.945 -5.846 16.509 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.080 -7.299 11.549 1.00 0.00 N ATOM 1397 CA ALA A 91 0.303 -6.046 10.911 1.00 0.00 C ATOM 1398 C ALA A 91 -0.223 -5.975 9.482 1.00 0.00 C ATOM 1399 O ALA A 91 -1.057 -5.129 9.159 1.00 0.00 O ATOM 1400 CB ALA A 91 1.816 -5.886 10.928 1.00 0.00 C ATOM 0 H ALA A 91 0.695 -7.941 11.716 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.144 -5.228 11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.088 -4.946 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.170 -5.883 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.276 -6.715 10.389 1.00 0.00 H new ATOM 1406 N MET A 92 0.271 -6.867 8.630 1.00 0.00 N ATOM 1407 CA MET A 92 -0.151 -6.905 7.234 1.00 0.00 C ATOM 1408 C MET A 92 -1.672 -6.930 7.126 1.00 0.00 C ATOM 1409 O MET A 92 -2.257 -6.242 6.288 1.00 0.00 O ATOM 1410 CB MET A 92 0.443 -8.128 6.533 1.00 0.00 C ATOM 1411 CG MET A 92 0.213 -9.430 7.283 1.00 0.00 C ATOM 1412 SD MET A 92 0.654 -10.881 6.308 1.00 0.00 S ATOM 1413 CE MET A 92 -0.882 -11.801 6.356 1.00 0.00 C ATOM 0 H MET A 92 0.963 -7.573 8.881 1.00 0.00 H new ATOM 0 HA MET A 92 0.215 -6.002 6.745 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.010 -8.211 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.515 -7.977 6.403 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.798 -9.423 8.202 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.835 -9.497 7.573 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.666 -12.867 6.423 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.464 -11.493 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.453 -11.603 5.449 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.308 -7.727 7.978 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.762 -7.843 7.978 1.00 0.00 C ATOM 1425 C LEU A 93 -4.417 -6.465 7.989 1.00 0.00 C ATOM 1426 O LEU A 93 -5.467 -6.262 7.378 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.229 -8.652 9.189 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.217 -10.172 9.025 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.713 -10.849 10.293 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -5.063 -10.587 7.830 1.00 0.00 C ATOM 0 H LEU A 93 -1.839 -8.302 8.678 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.061 -8.361 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.598 -8.393 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.243 -8.341 9.439 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.190 -10.491 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.698 -11.930 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.066 -10.578 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.732 -10.524 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.043 -11.672 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.091 -10.256 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.663 -10.131 6.925 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.791 -5.523 8.684 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.313 -4.165 8.774 1.00 0.00 C ATOM 1444 C TYR A 94 -4.111 -3.415 7.461 1.00 0.00 C ATOM 1445 O TYR A 94 -4.959 -2.624 7.048 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.632 -3.409 9.916 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.801 -1.909 9.835 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.042 -1.318 10.035 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.718 -1.082 9.560 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.201 0.052 9.961 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.868 0.290 9.485 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.111 0.852 9.686 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.265 2.217 9.613 1.00 0.00 O ATOM 0 H TYR A 94 -2.921 -5.675 9.194 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.383 -4.227 8.975 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.036 -3.761 10.865 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.568 -3.647 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.897 -1.941 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.743 -1.519 9.402 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.174 0.495 10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.016 0.918 9.270 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.401 2.633 9.413 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.982 -3.670 6.810 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.667 -3.019 5.543 1.00 0.00 C ATOM 1465 C TRP A 95 -3.567 -3.538 4.427 1.00 0.00 C ATOM 1466 O TRP A 95 -4.196 -2.759 3.710 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.199 -3.248 5.180 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.281 -2.196 5.724 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.365 -2.215 6.927 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.091 -0.970 5.086 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.116 -1.074 7.075 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.966 -0.294 5.959 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.228 -0.378 3.861 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.522 0.943 5.645 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.325 0.850 3.551 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.193 1.499 4.439 1.00 0.00 C ATOM 0 H TRP A 95 -2.270 -4.322 7.138 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.842 -1.949 5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.887 -4.222 5.556 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.101 -3.279 4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.296 -3.010 7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.692 -0.845 7.885 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.895 -0.871 3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.189 1.446 6.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.084 1.318 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.611 2.457 4.166 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.624 -4.858 4.284 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.448 -5.481 3.255 1.00 0.00 C ATOM 1489 C LEU A 96 -5.905 -5.051 3.389 1.00 0.00 C ATOM 1490 O LEU A 96 -6.547 -4.684 2.404 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.345 -7.005 3.343 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.929 -7.578 3.423 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.971 -9.096 3.500 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.102 -7.125 2.229 1.00 0.00 C ATOM 0 H LEU A 96 -3.109 -5.517 4.868 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.079 -5.153 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.900 -7.337 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.840 -7.434 2.472 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.456 -7.202 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.955 -9.486 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.526 -9.400 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.463 -9.492 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.098 -7.542 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.572 -7.471 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.043 -6.037 2.219 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.420 -5.096 4.613 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.801 -4.709 4.875 1.00 0.00 C ATOM 1508 C GLN A 97 -8.019 -3.230 4.575 1.00 0.00 C ATOM 1509 O GLN A 97 -8.891 -2.870 3.785 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.169 -5.005 6.331 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.574 -4.564 6.705 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.610 -5.644 6.461 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.357 -6.826 6.696 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.783 -5.243 5.986 1.00 0.00 N ATOM 0 H GLN A 97 -5.902 -5.396 5.439 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.445 -5.293 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.073 -6.076 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.454 -4.507 6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.593 -4.279 7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.837 -3.677 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.949 -4.253 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.519 -5.925 5.801 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.220 -2.378 5.210 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.326 -0.938 5.010 1.00 0.00 C ATOM 1525 C GLN A 98 -7.145 -0.577 3.539 1.00 0.00 C ATOM 1526 O GLN A 98 -8.063 -0.067 2.896 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.286 -0.206 5.859 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.706 -0.017 7.308 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.147 0.434 7.443 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.430 1.628 7.543 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.069 -0.523 7.447 1.00 0.00 N ATOM 0 H GLN A 98 -6.493 -2.660 5.867 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.323 -0.626 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.349 -0.763 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.090 0.770 5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.571 -0.955 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.053 0.718 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.790 -1.500 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.056 -0.280 7.535 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.955 -0.844 3.013 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.652 -0.547 1.617 1.00 0.00 C ATOM 1542 C LEU A 99 -6.876 -0.773 0.734 1.00 0.00 C ATOM 1543 O LEU A 99 -7.179 0.037 -0.141 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.491 -1.416 1.130 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.102 -1.025 1.637 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.092 -2.117 1.321 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.666 0.300 1.029 1.00 0.00 C ATOM 0 H LEU A 99 -5.184 -1.265 3.531 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.366 0.503 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.687 -2.447 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.478 -1.393 0.040 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.151 -0.906 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.110 -1.821 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.396 -3.045 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.045 -2.268 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.676 0.563 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.634 0.209 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.376 1.079 1.307 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.575 -1.878 0.973 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.767 -2.209 0.200 1.00 0.00 C ATOM 1561 C GLN A 100 -9.834 -1.132 0.358 1.00 0.00 C ATOM 1562 O GLN A 100 -10.310 -0.567 -0.627 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.324 -3.565 0.639 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.686 -4.745 -0.076 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.481 -6.025 0.086 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.510 -6.217 -0.563 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.008 -6.910 0.956 1.00 0.00 N ATOM 0 H GLN A 100 -7.337 -2.559 1.695 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.485 -2.263 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.176 -3.679 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.399 -3.581 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.590 -4.513 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.678 -4.897 0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.152 -6.710 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.501 -7.790 1.108 1.00 0.00 H new ATOM 1576 N MET A 101 -10.207 -0.852 1.603 1.00 0.00 N ATOM 1577 CA MET A 101 -11.218 0.158 1.889 1.00 0.00 C ATOM 1578 C MET A 101 -11.121 1.319 0.903 1.00 0.00 C ATOM 1579 O MET A 101 -12.124 1.744 0.329 1.00 0.00 O ATOM 1580 CB MET A 101 -11.062 0.676 3.320 1.00 0.00 C ATOM 1581 CG MET A 101 -11.479 -0.332 4.379 1.00 0.00 C ATOM 1582 SD MET A 101 -13.148 -0.963 4.119 1.00 0.00 S ATOM 1583 CE MET A 101 -12.798 -2.637 3.586 1.00 0.00 C ATOM 0 H MET A 101 -9.824 -1.311 2.429 1.00 0.00 H new ATOM 0 HA MET A 101 -12.199 -0.306 1.783 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.021 0.955 3.485 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.658 1.581 3.437 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.776 -1.165 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.420 0.135 5.362 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.631 -3.286 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.660 -2.653 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 101 -11.890 -2.992 4.073 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.909 1.826 0.711 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.680 2.937 -0.205 1.00 0.00 C ATOM 1595 C LYS A 102 -10.127 2.577 -1.618 1.00 0.00 C ATOM 1596 O LYS A 102 -10.911 3.299 -2.235 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.199 3.324 -0.211 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.637 3.597 1.173 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.100 4.941 1.708 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.157 5.470 2.779 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.673 6.719 3.405 1.00 0.00 N ATOM 0 H LYS A 102 -9.069 1.485 1.178 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.270 3.787 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.624 2.523 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.066 4.212 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.948 2.806 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.548 3.575 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.161 5.658 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.104 4.843 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.017 4.710 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.179 5.662 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.002 7.047 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.783 7.453 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.595 6.530 3.848 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.626 1.455 -2.125 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.975 1.000 -3.466 1.00 0.00 C ATOM 1617 C ARG A 103 -11.436 0.566 -3.529 1.00 0.00 C ATOM 1618 O ARG A 103 -12.241 1.163 -4.244 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.069 -0.159 -3.885 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.580 -0.925 -5.095 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.869 -2.260 -5.250 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.712 -3.255 -5.909 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.786 -3.798 -5.347 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.146 -3.444 -4.121 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.501 -4.696 -6.011 1.00 0.00 N ATOM 0 H ARG A 103 -8.977 0.845 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.831 1.832 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.075 0.229 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.964 -0.848 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.652 -1.092 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.433 -0.327 -5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.955 -2.119 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.572 -2.629 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.462 -3.549 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.598 -2.754 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.971 -3.862 -3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.226 -4.970 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.326 -5.112 -5.578 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.771 -0.477 -2.778 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.136 -0.991 -2.750 1.00 0.00 C ATOM 1641 C TRP A 104 -14.146 0.149 -2.700 1.00 0.00 C ATOM 1642 O TRP A 104 -15.145 0.136 -3.419 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.330 -1.914 -1.545 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.755 -2.002 -1.088 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.713 -2.858 -1.550 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.382 -1.202 -0.080 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.898 -2.639 -0.890 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.721 -1.628 0.018 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.942 -0.168 0.752 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.621 -1.056 0.912 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.837 0.399 1.639 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.164 -0.046 1.714 1.00 0.00 C ATOM 0 H TRP A 104 -11.117 -0.983 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.303 -1.559 -3.665 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.975 -2.913 -1.800 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.713 -1.558 -0.720 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.562 -3.599 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.768 -3.147 -1.050 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.921 0.181 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.644 -1.397 0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.508 1.199 2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.839 0.417 2.418 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.880 1.134 -1.848 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.768 2.282 -1.706 1.00 0.00 C ATOM 1665 C GLU A 105 -15.123 2.868 -3.070 1.00 0.00 C ATOM 1666 O GLU A 105 -16.297 3.001 -3.414 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.115 3.355 -0.832 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.415 3.199 0.649 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.562 4.105 1.516 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -13.528 5.324 1.248 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -12.927 3.594 2.462 1.00 0.00 O ATOM 0 H GLU A 105 -13.057 1.160 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.686 1.942 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.036 3.325 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.455 4.337 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.468 3.418 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.251 2.162 0.942 1.00 0.00 H new ATOM 1678 N PHE A 106 -14.099 3.216 -3.842 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.301 3.789 -5.167 1.00 0.00 C ATOM 1680 C PHE A 106 -15.254 2.928 -5.992 1.00 0.00 C ATOM 1681 O PHE A 106 -16.118 3.444 -6.702 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.963 3.930 -5.895 1.00 0.00 C ATOM 1683 CG PHE A 106 -13.101 4.056 -7.386 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.464 5.263 -7.961 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.870 2.967 -8.211 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.592 5.382 -9.333 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.996 3.081 -9.582 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.358 4.289 -10.144 1.00 0.00 C ATOM 0 H PHE A 106 -13.121 3.111 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.745 4.777 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.440 4.806 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.342 3.064 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.649 6.120 -7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.588 2.019 -7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.875 6.329 -9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.811 2.225 -10.214 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.458 4.379 -11.216 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.088 1.613 -5.894 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.933 0.679 -6.631 1.00 0.00 C ATOM 1700 C HIS A 107 -17.380 0.765 -6.156 1.00 0.00 C ATOM 1701 O HIS A 107 -18.300 0.359 -6.864 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.413 -0.749 -6.467 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.089 -0.985 -7.126 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.896 -0.878 -8.487 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.887 -1.322 -6.602 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.633 -1.141 -8.772 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.999 -1.413 -7.646 1.00 0.00 N ATOM 0 H HIS A 107 -14.377 1.170 -5.312 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.899 0.951 -7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.326 -0.975 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.144 -1.443 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.667 -1.488 -5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.194 -1.135 -9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.011 -1.652 -7.565 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.573 1.295 -4.952 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.908 1.432 -4.382 1.00 0.00 C ATOM 1718 C ASN A 108 -19.512 2.789 -4.733 1.00 0.00 C ATOM 1719 O ASN A 108 -20.628 2.869 -5.245 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.856 1.261 -2.863 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.750 -0.193 -2.448 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.622 -0.718 -1.754 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.678 -0.853 -2.871 1.00 0.00 N ATOM 0 H ASN A 108 -16.822 1.636 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.540 0.652 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -18.003 1.812 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.751 1.698 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.552 -1.834 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -16.980 -0.379 -3.444 1.00 0.00 H new ATOM 1730 N SER A 109 -18.766 3.853 -4.453 1.00 0.00 N ATOM 1731 CA SER A 109 -19.229 5.206 -4.735 1.00 0.00 C ATOM 1732 C SER A 109 -20.091 5.234 -5.994 1.00 0.00 C ATOM 1733 O SER A 109 -19.593 5.301 -7.117 1.00 0.00 O ATOM 1734 CB SER A 109 -18.037 6.151 -4.899 1.00 0.00 C ATOM 1735 OG SER A 109 -17.285 6.237 -3.701 1.00 0.00 O ATOM 0 H SER A 109 -17.839 3.804 -4.031 1.00 0.00 H new ATOM 0 HA SER A 109 -19.835 5.539 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.398 5.798 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.391 7.142 -5.182 1.00 0.00 H new ATOM 0 HG SER A 109 -16.528 6.846 -3.833 1.00 0.00 H new ATOM 1741 N PRO A 110 -21.418 5.181 -5.802 1.00 0.00 N ATOM 1742 CA PRO A 110 -22.379 5.199 -6.908 1.00 0.00 C ATOM 1743 C PRO A 110 -22.435 6.554 -7.605 1.00 0.00 C ATOM 1744 O PRO A 110 -22.226 7.603 -6.994 1.00 0.00 O ATOM 1745 CB PRO A 110 -23.714 4.894 -6.224 1.00 0.00 C ATOM 1746 CG PRO A 110 -23.529 5.344 -4.816 1.00 0.00 C ATOM 1747 CD PRO A 110 -22.082 5.100 -4.490 1.00 0.00 C ATOM 0 HA PRO A 110 -22.113 4.488 -7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.536 5.425 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -23.950 3.831 -6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.781 6.399 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -24.180 4.789 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.695 5.847 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.934 4.126 -4.024 1.00 0.00 H new ATOM 1755 N PRO A 111 -22.725 6.536 -8.915 1.00 0.00 N ATOM 1756 CA PRO A 111 -22.816 7.756 -9.723 1.00 0.00 C ATOM 1757 C PRO A 111 -24.036 8.598 -9.365 1.00 0.00 C ATOM 1758 O PRO A 111 -24.767 8.282 -8.426 1.00 0.00 O ATOM 1759 CB PRO A 111 -22.934 7.225 -11.154 1.00 0.00 C ATOM 1760 CG PRO A 111 -23.518 5.863 -11.006 1.00 0.00 C ATOM 1761 CD PRO A 111 -22.986 5.323 -9.708 1.00 0.00 C ATOM 0 HA PRO A 111 -21.961 8.414 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -23.573 7.865 -11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -21.961 7.187 -11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.607 5.905 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -23.233 5.223 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.709 4.670 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.079 4.738 -9.858 1.00 0.00 H new ATOM 1769 N ALA A 112 -24.251 9.671 -10.119 1.00 0.00 N ATOM 1770 CA ALA A 112 -25.384 10.556 -9.883 1.00 0.00 C ATOM 1771 C ALA A 112 -26.698 9.783 -9.898 1.00 0.00 C ATOM 1772 O ALA A 112 -26.882 8.840 -10.668 1.00 0.00 O ATOM 1773 CB ALA A 112 -25.411 11.668 -10.922 1.00 0.00 C ATOM 0 H ALA A 112 -23.655 9.948 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 112 -25.266 11.000 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -26.263 12.322 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -24.489 12.246 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -25.501 11.234 -11.918 1.00 0.00 H new ATOM 1779 N PRO A 113 -27.635 10.189 -9.028 1.00 0.00 N ATOM 1780 CA PRO A 113 -28.948 9.547 -8.923 1.00 0.00 C ATOM 1781 C PRO A 113 -29.824 9.815 -10.141 1.00 0.00 C ATOM 1782 O PRO A 113 -30.034 10.966 -10.525 1.00 0.00 O ATOM 1783 CB PRO A 113 -29.558 10.189 -7.674 1.00 0.00 C ATOM 1784 CG PRO A 113 -28.879 11.510 -7.557 1.00 0.00 C ATOM 1785 CD PRO A 113 -27.484 11.306 -8.081 1.00 0.00 C ATOM 0 HA PRO A 113 -28.867 8.462 -8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -30.637 10.306 -7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -29.386 9.576 -6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -29.405 12.271 -8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -28.861 11.849 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -27.105 12.202 -8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -26.786 11.062 -7.280 1.00 0.00 H new ATOM 1793 N SER A 114 -30.334 8.747 -10.745 1.00 0.00 N ATOM 1794 CA SER A 114 -31.185 8.868 -11.923 1.00 0.00 C ATOM 1795 C SER A 114 -32.473 8.069 -11.747 1.00 0.00 C ATOM 1796 O SER A 114 -32.442 6.861 -11.518 1.00 0.00 O ATOM 1797 CB SER A 114 -30.440 8.385 -13.169 1.00 0.00 C ATOM 1798 OG SER A 114 -29.609 9.407 -13.694 1.00 0.00 O ATOM 0 H SER A 114 -30.173 7.788 -10.438 1.00 0.00 H new ATOM 0 HA SER A 114 -31.443 9.920 -12.047 1.00 0.00 H new ATOM 0 HB2 SER A 114 -29.836 7.513 -12.920 1.00 0.00 H new ATOM 0 HB3 SER A 114 -31.158 8.070 -13.927 1.00 0.00 H new ATOM 0 HG SER A 114 -29.142 9.073 -14.489 1.00 0.00 H new ATOM 1804 N GLY A 115 -33.607 8.755 -11.855 1.00 0.00 N ATOM 1805 CA GLY A 115 -34.891 8.096 -11.705 1.00 0.00 C ATOM 1806 C GLY A 115 -36.031 9.079 -11.529 1.00 0.00 C ATOM 1807 O GLY A 115 -36.347 9.863 -12.425 1.00 0.00 O ATOM 0 H GLY A 115 -33.659 9.756 -12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -35.082 7.476 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -34.855 7.429 -10.844 1.00 0.00 H new ATOM 1811 N PRO A 116 -36.672 9.044 -10.352 1.00 0.00 N ATOM 1812 CA PRO A 116 -37.795 9.931 -10.035 1.00 0.00 C ATOM 1813 C PRO A 116 -37.357 11.382 -9.864 1.00 0.00 C ATOM 1814 O PRO A 116 -36.165 11.673 -9.767 1.00 0.00 O ATOM 1815 CB PRO A 116 -38.325 9.374 -8.711 1.00 0.00 C ATOM 1816 CG PRO A 116 -37.157 8.685 -8.095 1.00 0.00 C ATOM 1817 CD PRO A 116 -36.350 8.135 -9.238 1.00 0.00 C ATOM 0 HA PRO A 116 -38.537 9.950 -10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -38.699 10.171 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -39.151 8.682 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -36.565 9.379 -7.498 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -37.482 7.887 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -35.283 8.136 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -36.627 7.106 -9.466 1.00 0.00 H new ATOM 1825 N SER A 117 -38.328 12.288 -9.829 1.00 0.00 N ATOM 1826 CA SER A 117 -38.042 13.710 -9.673 1.00 0.00 C ATOM 1827 C SER A 117 -38.216 14.143 -8.221 1.00 0.00 C ATOM 1828 O SER A 117 -39.269 13.932 -7.620 1.00 0.00 O ATOM 1829 CB SER A 117 -38.957 14.538 -10.577 1.00 0.00 C ATOM 1830 OG SER A 117 -38.837 14.136 -11.931 1.00 0.00 O ATOM 0 H SER A 117 -39.320 12.063 -9.907 1.00 0.00 H new ATOM 0 HA SER A 117 -37.005 13.881 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 117 -39.991 14.427 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 117 -38.705 15.595 -10.485 1.00 0.00 H new ATOM 0 HG SER A 117 -39.433 14.679 -12.488 1.00 0.00 H new ATOM 1836 N SER A 118 -37.174 14.751 -7.662 1.00 0.00 N ATOM 1837 CA SER A 118 -37.208 15.211 -6.279 1.00 0.00 C ATOM 1838 C SER A 118 -38.605 15.696 -5.903 1.00 0.00 C ATOM 1839 O SER A 118 -39.287 16.339 -6.700 1.00 0.00 O ATOM 1840 CB SER A 118 -36.192 16.335 -6.068 1.00 0.00 C ATOM 1841 OG SER A 118 -36.701 17.575 -6.526 1.00 0.00 O ATOM 0 H SER A 118 -36.296 14.936 -8.146 1.00 0.00 H new ATOM 0 HA SER A 118 -36.948 14.371 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 118 -35.942 16.410 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 118 -35.269 16.099 -6.598 1.00 0.00 H new ATOM 0 HG SER A 118 -36.034 18.277 -6.378 1.00 0.00 H new ATOM 1847 N GLY A 119 -39.024 15.382 -4.681 1.00 0.00 N ATOM 1848 CA GLY A 119 -40.337 15.793 -4.218 1.00 0.00 C ATOM 1849 C GLY A 119 -40.468 17.299 -4.108 1.00 0.00 C ATOM 1850 O GLY A 119 -40.047 18.032 -5.002 1.00 0.00 O ATOM 0 H GLY A 119 -38.478 14.850 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -41.095 15.415 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -40.533 15.342 -3.245 1.00 0.00 H new TER 1854 GLY A 119