USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0276 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 169:sc= 0 (180deg=-0.141) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0276 (180deg=-0.287) USER MOD Single : A 21 CYS SG : rot 34:sc= 0.442 USER MOD Single : A 27 GLN : amide:sc= -0.615 K(o=-0.62,f=-2.7) USER MOD Single : A 32 GLN : amide:sc= -2.02 K(o=-2,f=-3.5!) USER MOD Single : A 33 CYS SG : rot -15:sc= 0.75 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.961 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.5!) USER MOD Single : A 50 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.42) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 41:sc= 0.871 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.0206 USER MOD Single : A 59 CYS SG : rot 40:sc= 0.079 USER MOD Single : A 67 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot -60:sc=0.000306 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -5.59! C(o=-5.6!,f=-22!) USER MOD Single : A 89 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -97:sc= 0.543 USER MOD Single : A 93 SER OG : rot 180:sc= -0.103 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -1.54! C(o=-1.5!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.519 -1.185 -18.109 1.00 0.00 N ATOM 2 CA GLY A 1 28.018 -0.056 -17.348 1.00 0.00 C ATOM 3 C GLY A 1 28.069 -0.297 -15.852 1.00 0.00 C ATOM 4 O GLY A 1 27.911 -1.428 -15.393 1.00 0.00 O ATOM 0 H1 GLY A 1 27.876 -1.382 -18.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.466 -0.963 -18.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.575 -2.021 -17.493 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.604 0.830 -17.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.990 0.151 -17.645 1.00 0.00 H new ATOM 8 N SER A 2 28.294 0.769 -15.090 1.00 0.00 N ATOM 9 CA SER A 2 28.372 0.667 -13.637 1.00 0.00 C ATOM 10 C SER A 2 27.433 1.668 -12.971 1.00 0.00 C ATOM 11 O SER A 2 27.408 2.846 -13.330 1.00 0.00 O ATOM 12 CB SER A 2 29.807 0.905 -13.164 1.00 0.00 C ATOM 13 OG SER A 2 30.655 -0.163 -13.551 1.00 0.00 O ATOM 0 H SER A 2 28.425 1.713 -15.454 1.00 0.00 H new ATOM 0 HA SER A 2 28.065 -0.339 -13.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.181 1.840 -13.582 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.823 1.012 -12.079 1.00 0.00 H new ATOM 0 HG SER A 2 31.567 0.014 -13.238 1.00 0.00 H new ATOM 19 N SER A 3 26.661 1.191 -12.000 1.00 0.00 N ATOM 20 CA SER A 3 25.717 2.042 -11.285 1.00 0.00 C ATOM 21 C SER A 3 25.879 1.885 -9.776 1.00 0.00 C ATOM 22 O SER A 3 25.841 0.774 -9.249 1.00 0.00 O ATOM 23 CB SER A 3 24.282 1.703 -11.694 1.00 0.00 C ATOM 24 OG SER A 3 23.349 2.243 -10.774 1.00 0.00 O ATOM 0 H SER A 3 26.671 0.219 -11.690 1.00 0.00 H new ATOM 0 HA SER A 3 25.927 3.078 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.083 2.095 -12.691 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.161 0.621 -11.746 1.00 0.00 H new ATOM 0 HG SER A 3 22.439 2.014 -11.058 1.00 0.00 H new ATOM 30 N GLY A 4 26.059 3.008 -9.087 1.00 0.00 N ATOM 31 CA GLY A 4 26.224 2.974 -7.645 1.00 0.00 C ATOM 32 C GLY A 4 24.900 3.031 -6.909 1.00 0.00 C ATOM 33 O GLY A 4 23.905 3.520 -7.444 1.00 0.00 O ATOM 0 H GLY A 4 26.093 3.940 -9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.753 2.064 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.846 3.813 -7.334 1.00 0.00 H new ATOM 37 N SER A 5 24.887 2.528 -5.679 1.00 0.00 N ATOM 38 CA SER A 5 23.674 2.518 -4.870 1.00 0.00 C ATOM 39 C SER A 5 23.654 3.700 -3.906 1.00 0.00 C ATOM 40 O SER A 5 24.692 4.293 -3.611 1.00 0.00 O ATOM 41 CB SER A 5 23.567 1.207 -4.088 1.00 0.00 C ATOM 42 OG SER A 5 23.651 0.089 -4.955 1.00 0.00 O ATOM 0 H SER A 5 25.703 2.122 -5.221 1.00 0.00 H new ATOM 0 HA SER A 5 22.819 2.604 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.364 1.156 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.623 1.180 -3.545 1.00 0.00 H new ATOM 0 HG SER A 5 23.582 -0.737 -4.432 1.00 0.00 H new ATOM 48 N SER A 6 22.465 4.038 -3.418 1.00 0.00 N ATOM 49 CA SER A 6 22.307 5.152 -2.490 1.00 0.00 C ATOM 50 C SER A 6 21.465 4.742 -1.286 1.00 0.00 C ATOM 51 O SER A 6 20.288 4.409 -1.422 1.00 0.00 O ATOM 52 CB SER A 6 21.660 6.345 -3.197 1.00 0.00 C ATOM 53 OG SER A 6 21.540 7.452 -2.322 1.00 0.00 O ATOM 0 H SER A 6 21.596 3.556 -3.650 1.00 0.00 H new ATOM 0 HA SER A 6 23.297 5.441 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.258 6.626 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.675 6.062 -3.567 1.00 0.00 H new ATOM 0 HG SER A 6 21.125 8.202 -2.798 1.00 0.00 H new ATOM 59 N GLY A 7 22.077 4.768 -0.106 1.00 0.00 N ATOM 60 CA GLY A 7 21.370 4.397 1.105 1.00 0.00 C ATOM 61 C GLY A 7 20.947 2.941 1.106 1.00 0.00 C ATOM 62 O GLY A 7 20.636 2.378 0.057 1.00 0.00 O ATOM 0 H GLY A 7 23.050 5.040 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.008 4.587 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.488 5.028 1.215 1.00 0.00 H new ATOM 66 N MET A 8 20.936 2.331 2.287 1.00 0.00 N ATOM 67 CA MET A 8 20.548 0.931 2.419 1.00 0.00 C ATOM 68 C MET A 8 19.095 0.728 2.001 1.00 0.00 C ATOM 69 O MET A 8 18.264 1.622 2.157 1.00 0.00 O ATOM 70 CB MET A 8 20.746 0.459 3.861 1.00 0.00 C ATOM 71 CG MET A 8 20.979 -1.038 3.983 1.00 0.00 C ATOM 72 SD MET A 8 22.470 -1.581 3.126 1.00 0.00 S ATOM 73 CE MET A 8 23.740 -0.931 4.208 1.00 0.00 C ATOM 0 H MET A 8 21.191 2.783 3.165 1.00 0.00 H new ATOM 0 HA MET A 8 21.184 0.340 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.595 0.987 4.294 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.868 0.731 4.448 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.053 -1.306 5.037 1.00 0.00 H new ATOM 0 HG3 MET A 8 20.118 -1.570 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.707 -1.346 3.924 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.772 0.155 4.121 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.515 -1.206 5.239 1.00 0.00 H new ATOM 83 N GLU A 9 18.797 -0.453 1.469 1.00 0.00 N ATOM 84 CA GLU A 9 17.444 -0.772 1.028 1.00 0.00 C ATOM 85 C GLU A 9 16.748 -1.692 2.027 1.00 0.00 C ATOM 86 O GLU A 9 17.371 -2.197 2.961 1.00 0.00 O ATOM 87 CB GLU A 9 17.476 -1.431 -0.353 1.00 0.00 C ATOM 88 CG GLU A 9 17.592 -0.439 -1.498 1.00 0.00 C ATOM 89 CD GLU A 9 18.208 -1.052 -2.741 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.214 -1.780 -2.608 1.00 0.00 O ATOM 91 OE2 GLU A 9 17.682 -0.805 -3.846 1.00 0.00 O ATOM 0 H GLU A 9 19.473 -1.204 1.333 1.00 0.00 H new ATOM 0 HA GLU A 9 16.881 0.159 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.317 -2.123 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.570 -2.022 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.602 -0.052 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.196 0.410 -1.178 1.00 0.00 H new ATOM 98 N VAL A 10 15.452 -1.905 1.823 1.00 0.00 N ATOM 99 CA VAL A 10 14.670 -2.764 2.704 1.00 0.00 C ATOM 100 C VAL A 10 13.599 -3.520 1.926 1.00 0.00 C ATOM 101 O VAL A 10 13.342 -3.227 0.759 1.00 0.00 O ATOM 102 CB VAL A 10 13.998 -1.953 3.828 1.00 0.00 C ATOM 103 CG1 VAL A 10 14.980 -1.694 4.960 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.444 -0.646 3.282 1.00 0.00 C ATOM 0 H VAL A 10 14.921 -1.494 1.055 1.00 0.00 H new ATOM 0 HA VAL A 10 15.364 -3.478 3.147 1.00 0.00 H new ATOM 0 HB VAL A 10 13.167 -2.535 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.487 -1.120 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.324 -2.644 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.833 -1.132 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.973 -0.085 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.256 -0.056 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.706 -0.859 2.509 1.00 0.00 H new ATOM 114 N ALA A 11 12.975 -4.493 2.582 1.00 0.00 N ATOM 115 CA ALA A 11 11.928 -5.289 1.953 1.00 0.00 C ATOM 116 C ALA A 11 10.548 -4.713 2.248 1.00 0.00 C ATOM 117 O ALA A 11 10.365 -3.918 3.171 1.00 0.00 O ATOM 118 CB ALA A 11 12.011 -6.734 2.422 1.00 0.00 C ATOM 0 H ALA A 11 13.176 -4.749 3.549 1.00 0.00 H new ATOM 0 HA ALA A 11 12.081 -5.259 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.224 -7.317 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.983 -7.148 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.886 -6.773 3.504 1.00 0.00 H new ATOM 124 N PRO A 12 9.552 -5.121 1.448 1.00 0.00 N ATOM 125 CA PRO A 12 8.170 -4.657 1.605 1.00 0.00 C ATOM 126 C PRO A 12 7.513 -5.207 2.866 1.00 0.00 C ATOM 127 O PRO A 12 7.942 -6.227 3.406 1.00 0.00 O ATOM 128 CB PRO A 12 7.470 -5.200 0.357 1.00 0.00 C ATOM 129 CG PRO A 12 8.276 -6.387 -0.044 1.00 0.00 C ATOM 130 CD PRO A 12 9.697 -6.067 0.329 1.00 0.00 C ATOM 0 HA PRO A 12 8.113 -3.573 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.438 -5.477 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.442 -4.454 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.931 -7.285 0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.186 -6.576 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.245 -6.961 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.241 -5.623 -0.505 1.00 0.00 H new ATOM 138 N SER A 13 6.470 -4.526 3.330 1.00 0.00 N ATOM 139 CA SER A 13 5.756 -4.945 4.531 1.00 0.00 C ATOM 140 C SER A 13 4.529 -4.071 4.766 1.00 0.00 C ATOM 141 O SER A 13 4.441 -2.953 4.256 1.00 0.00 O ATOM 142 CB SER A 13 6.681 -4.883 5.748 1.00 0.00 C ATOM 143 OG SER A 13 6.247 -5.770 6.764 1.00 0.00 O ATOM 0 H SER A 13 6.101 -3.682 2.893 1.00 0.00 H new ATOM 0 HA SER A 13 5.426 -5.974 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.698 -5.137 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.708 -3.865 6.137 1.00 0.00 H new ATOM 0 HG SER A 13 6.856 -5.713 7.530 1.00 0.00 H new ATOM 149 N PHE A 14 3.581 -4.588 5.541 1.00 0.00 N ATOM 150 CA PHE A 14 2.357 -3.856 5.844 1.00 0.00 C ATOM 151 C PHE A 14 2.320 -3.441 7.312 1.00 0.00 C ATOM 152 O PHE A 14 2.066 -4.262 8.194 1.00 0.00 O ATOM 153 CB PHE A 14 1.132 -4.710 5.513 1.00 0.00 C ATOM 154 CG PHE A 14 0.966 -4.977 4.044 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.522 -3.978 3.191 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.253 -6.225 3.516 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.368 -4.221 1.840 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.101 -6.473 2.165 1.00 0.00 C ATOM 159 CZ PHE A 14 0.659 -5.470 1.325 1.00 0.00 C ATOM 0 H PHE A 14 3.637 -5.511 5.971 1.00 0.00 H new ATOM 0 HA PHE A 14 2.341 -2.956 5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.209 -5.661 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.239 -4.210 5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.294 -2.999 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.600 -7.013 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.020 -3.435 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.328 -7.451 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.541 -5.661 0.269 1.00 0.00 H new ATOM 169 N SER A 15 2.577 -2.162 7.566 1.00 0.00 N ATOM 170 CA SER A 15 2.578 -1.638 8.927 1.00 0.00 C ATOM 171 C SER A 15 1.180 -1.705 9.535 1.00 0.00 C ATOM 172 O SER A 15 1.013 -2.089 10.693 1.00 0.00 O ATOM 173 CB SER A 15 3.083 -0.194 8.939 1.00 0.00 C ATOM 174 OG SER A 15 3.379 0.231 10.258 1.00 0.00 O ATOM 0 H SER A 15 2.787 -1.469 6.847 1.00 0.00 H new ATOM 0 HA SER A 15 3.247 -2.254 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.975 -0.112 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.330 0.462 8.503 1.00 0.00 H new ATOM 0 HG SER A 15 3.701 1.156 10.239 1.00 0.00 H new ATOM 180 N SER A 16 0.179 -1.327 8.747 1.00 0.00 N ATOM 181 CA SER A 16 -1.204 -1.340 9.208 1.00 0.00 C ATOM 182 C SER A 16 -2.114 -2.006 8.179 1.00 0.00 C ATOM 183 O SER A 16 -2.667 -1.343 7.302 1.00 0.00 O ATOM 184 CB SER A 16 -1.685 0.085 9.484 1.00 0.00 C ATOM 185 OG SER A 16 -2.654 0.105 10.518 1.00 0.00 O ATOM 0 H SER A 16 0.300 -1.008 7.786 1.00 0.00 H new ATOM 0 HA SER A 16 -1.247 -1.916 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.837 0.711 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.110 0.511 8.575 1.00 0.00 H new ATOM 0 HG SER A 16 -2.944 1.028 10.677 1.00 0.00 H new ATOM 191 N VAL A 17 -2.263 -3.321 8.294 1.00 0.00 N ATOM 192 CA VAL A 17 -3.106 -4.078 7.376 1.00 0.00 C ATOM 193 C VAL A 17 -4.530 -3.534 7.362 1.00 0.00 C ATOM 194 O VAL A 17 -4.962 -2.871 8.306 1.00 0.00 O ATOM 195 CB VAL A 17 -3.142 -5.572 7.749 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.767 -6.199 7.576 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.645 -5.753 9.173 1.00 0.00 C ATOM 0 H VAL A 17 -1.811 -3.885 9.014 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.669 -3.970 6.383 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.833 -6.080 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.812 -7.255 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.451 -6.102 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.051 -5.691 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.664 -6.814 9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.981 -5.232 9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.651 -5.342 9.258 1.00 0.00 H new ATOM 207 N LEU A 18 -5.256 -3.819 6.286 1.00 0.00 N ATOM 208 CA LEU A 18 -6.633 -3.359 6.149 1.00 0.00 C ATOM 209 C LEU A 18 -7.525 -3.984 7.217 1.00 0.00 C ATOM 210 O LEU A 18 -7.247 -5.076 7.713 1.00 0.00 O ATOM 211 CB LEU A 18 -7.169 -3.699 4.757 1.00 0.00 C ATOM 212 CG LEU A 18 -6.315 -3.234 3.577 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.578 -4.099 2.354 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.589 -1.770 3.266 1.00 0.00 C ATOM 0 H LEU A 18 -4.914 -4.366 5.496 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.643 -2.277 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.288 -4.780 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.162 -3.262 4.655 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.265 -3.337 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.961 -3.753 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.331 -5.136 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.630 -4.029 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.973 -1.455 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.642 -1.643 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.349 -1.162 4.138 1.00 0.00 H new ATOM 226 N LYS A 19 -8.601 -3.286 7.565 1.00 0.00 N ATOM 227 CA LYS A 19 -9.537 -3.773 8.571 1.00 0.00 C ATOM 228 C LYS A 19 -10.966 -3.754 8.039 1.00 0.00 C ATOM 229 O LYS A 19 -11.330 -2.890 7.240 1.00 0.00 O ATOM 230 CB LYS A 19 -9.443 -2.922 9.839 1.00 0.00 C ATOM 231 CG LYS A 19 -8.418 -3.431 10.838 1.00 0.00 C ATOM 232 CD LYS A 19 -8.009 -2.345 11.820 1.00 0.00 C ATOM 233 CE LYS A 19 -6.768 -2.742 12.604 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.556 -2.788 11.740 1.00 0.00 N ATOM 0 H LYS A 19 -8.846 -2.381 7.165 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.271 -4.802 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.191 -1.898 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.421 -2.890 10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.831 -4.280 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.538 -3.792 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.818 -1.418 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.830 -2.149 12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.609 -2.032 13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.925 -3.719 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.704 -2.775 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.568 -3.659 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.549 -1.962 11.108 1.00 0.00 H new ATOM 248 N ASP A 20 -11.772 -4.710 8.487 1.00 0.00 N ATOM 249 CA ASP A 20 -13.163 -4.801 8.057 1.00 0.00 C ATOM 250 C ASP A 20 -13.885 -3.473 8.267 1.00 0.00 C ATOM 251 O ASP A 20 -13.567 -2.721 9.189 1.00 0.00 O ATOM 252 CB ASP A 20 -13.883 -5.913 8.821 1.00 0.00 C ATOM 253 CG ASP A 20 -14.158 -5.540 10.265 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.212 -5.579 11.078 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.320 -5.209 10.581 1.00 0.00 O ATOM 0 H ASP A 20 -11.487 -5.433 9.148 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.174 -5.036 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.825 -6.141 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.279 -6.820 8.792 1.00 0.00 H new ATOM 260 N CYS A 21 -14.856 -3.191 7.406 1.00 0.00 N ATOM 261 CA CYS A 21 -15.622 -1.953 7.495 1.00 0.00 C ATOM 262 C CYS A 21 -16.960 -2.088 6.776 1.00 0.00 C ATOM 263 O CYS A 21 -17.064 -2.780 5.763 1.00 0.00 O ATOM 264 CB CYS A 21 -14.824 -0.792 6.901 1.00 0.00 C ATOM 265 SG CYS A 21 -13.776 0.071 8.094 1.00 0.00 S ATOM 0 H CYS A 21 -15.132 -3.803 6.638 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.816 -1.750 8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.199 -1.171 6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.518 -0.077 6.459 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.323 -0.778 8.968 1.00 0.00 H new ATOM 271 N ALA A 22 -17.981 -1.424 7.307 1.00 0.00 N ATOM 272 CA ALA A 22 -19.312 -1.470 6.715 1.00 0.00 C ATOM 273 C ALA A 22 -19.712 -0.108 6.156 1.00 0.00 C ATOM 274 O ALA A 22 -19.455 0.926 6.772 1.00 0.00 O ATOM 275 CB ALA A 22 -20.331 -1.940 7.743 1.00 0.00 C ATOM 0 H ALA A 22 -17.912 -0.848 8.146 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.291 -2.181 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.321 -1.970 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.062 -2.937 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.341 -1.250 8.587 1.00 0.00 H new ATOM 281 N VAL A 23 -20.340 -0.116 4.985 1.00 0.00 N ATOM 282 CA VAL A 23 -20.775 1.119 4.343 1.00 0.00 C ATOM 283 C VAL A 23 -22.129 0.938 3.664 1.00 0.00 C ATOM 284 O VAL A 23 -22.466 -0.157 3.212 1.00 0.00 O ATOM 285 CB VAL A 23 -19.750 1.600 3.299 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.924 0.842 1.991 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.880 3.099 3.077 1.00 0.00 C ATOM 0 H VAL A 23 -20.559 -0.964 4.461 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.863 1.870 5.128 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.748 1.397 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.191 1.195 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.777 -0.224 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.929 1.011 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.148 3.422 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.884 3.328 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.701 3.623 4.016 1.00 0.00 H new ATOM 297 N ILE A 24 -22.899 2.018 3.596 1.00 0.00 N ATOM 298 CA ILE A 24 -24.215 1.979 2.971 1.00 0.00 C ATOM 299 C ILE A 24 -24.104 2.037 1.451 1.00 0.00 C ATOM 300 O ILE A 24 -23.100 2.498 0.910 1.00 0.00 O ATOM 301 CB ILE A 24 -25.103 3.141 3.454 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.085 3.224 4.982 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.526 2.968 2.945 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.780 2.064 5.659 1.00 0.00 C ATOM 0 H ILE A 24 -22.634 2.931 3.966 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.675 1.035 3.264 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.705 4.073 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -24.051 3.266 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.561 4.154 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -27.141 3.797 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.523 2.953 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.935 2.030 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.728 2.190 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.824 2.033 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.290 1.132 5.378 1.00 0.00 H new ATOM 316 N GLU A 25 -25.144 1.568 0.769 1.00 0.00 N ATOM 317 CA GLU A 25 -25.163 1.568 -0.689 1.00 0.00 C ATOM 318 C GLU A 25 -25.213 2.993 -1.233 1.00 0.00 C ATOM 319 O GLU A 25 -25.969 3.830 -0.742 1.00 0.00 O ATOM 320 CB GLU A 25 -26.362 0.770 -1.206 1.00 0.00 C ATOM 321 CG GLU A 25 -26.506 0.799 -2.718 1.00 0.00 C ATOM 322 CD GLU A 25 -27.347 1.963 -3.203 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.542 2.022 -2.846 1.00 0.00 O ATOM 324 OE2 GLU A 25 -26.809 2.817 -3.939 1.00 0.00 O ATOM 0 H GLU A 25 -25.984 1.184 1.202 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.244 1.097 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.267 -0.265 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.272 1.165 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.517 0.857 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.957 -0.135 -3.054 1.00 0.00 H new ATOM 331 N GLY A 26 -24.400 3.261 -2.251 1.00 0.00 N ATOM 332 CA GLY A 26 -24.366 4.584 -2.844 1.00 0.00 C ATOM 333 C GLY A 26 -23.437 5.527 -2.105 1.00 0.00 C ATOM 334 O GLY A 26 -23.249 6.672 -2.517 1.00 0.00 O ATOM 0 H GLY A 26 -23.765 2.585 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.047 4.505 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.373 5.002 -2.851 1.00 0.00 H new ATOM 338 N GLN A 27 -22.857 5.047 -1.010 1.00 0.00 N ATOM 339 CA GLN A 27 -21.945 5.856 -0.212 1.00 0.00 C ATOM 340 C GLN A 27 -20.512 5.723 -0.718 1.00 0.00 C ATOM 341 O GLN A 27 -20.232 4.926 -1.614 1.00 0.00 O ATOM 342 CB GLN A 27 -22.018 5.444 1.260 1.00 0.00 C ATOM 343 CG GLN A 27 -23.252 5.968 1.977 1.00 0.00 C ATOM 344 CD GLN A 27 -23.272 7.480 2.075 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.329 8.154 1.659 1.00 0.00 O ATOM 346 NE2 GLN A 27 -24.350 8.024 2.629 1.00 0.00 N ATOM 0 H GLN A 27 -23.003 4.102 -0.655 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.249 6.899 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.004 4.356 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.128 5.806 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -24.144 5.630 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -23.293 5.542 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -25.109 7.428 2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -24.419 9.037 2.723 1.00 0.00 H new ATOM 355 N ASP A 28 -19.610 6.508 -0.140 1.00 0.00 N ATOM 356 CA ASP A 28 -18.206 6.477 -0.532 1.00 0.00 C ATOM 357 C ASP A 28 -17.345 5.880 0.576 1.00 0.00 C ATOM 358 O ASP A 28 -17.625 6.063 1.761 1.00 0.00 O ATOM 359 CB ASP A 28 -17.718 7.886 -0.871 1.00 0.00 C ATOM 360 CG ASP A 28 -18.675 8.626 -1.785 1.00 0.00 C ATOM 361 OD1 ASP A 28 -19.785 8.968 -1.329 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.313 8.862 -2.957 1.00 0.00 O ATOM 0 H ASP A 28 -19.826 7.174 0.602 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.115 5.847 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.588 8.454 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -16.740 7.824 -1.348 1.00 0.00 H new ATOM 367 N PHE A 29 -16.296 5.164 0.184 1.00 0.00 N ATOM 368 CA PHE A 29 -15.395 4.538 1.144 1.00 0.00 C ATOM 369 C PHE A 29 -14.026 4.284 0.520 1.00 0.00 C ATOM 370 O PHE A 29 -13.921 3.692 -0.554 1.00 0.00 O ATOM 371 CB PHE A 29 -15.989 3.222 1.650 1.00 0.00 C ATOM 372 CG PHE A 29 -15.659 2.042 0.782 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.454 1.373 0.928 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.553 1.601 -0.180 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.147 0.288 0.129 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.252 0.515 -0.981 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.048 -0.143 -0.825 1.00 0.00 C ATOM 0 H PHE A 29 -16.049 5.003 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.270 5.220 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.625 3.033 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -17.072 3.323 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.747 1.703 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.496 2.112 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.203 -0.223 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.958 0.182 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.811 -0.993 -1.448 1.00 0.00 H new ATOM 387 N VAL A 30 -12.978 4.737 1.201 1.00 0.00 N ATOM 388 CA VAL A 30 -11.615 4.559 0.715 1.00 0.00 C ATOM 389 C VAL A 30 -10.789 3.725 1.688 1.00 0.00 C ATOM 390 O VAL A 30 -10.626 4.091 2.852 1.00 0.00 O ATOM 391 CB VAL A 30 -10.917 5.914 0.496 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.918 6.730 1.779 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.498 5.706 -0.012 1.00 0.00 C ATOM 0 H VAL A 30 -13.047 5.230 2.091 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.684 4.036 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.472 6.470 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.420 7.684 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.946 6.909 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.389 6.182 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.019 6.674 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.931 5.130 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.526 5.165 -0.958 1.00 0.00 H new ATOM 403 N LEU A 31 -10.270 2.603 1.203 1.00 0.00 N ATOM 404 CA LEU A 31 -9.459 1.716 2.029 1.00 0.00 C ATOM 405 C LEU A 31 -8.079 2.315 2.280 1.00 0.00 C ATOM 406 O LEU A 31 -7.277 2.457 1.357 1.00 0.00 O ATOM 407 CB LEU A 31 -9.319 0.348 1.358 1.00 0.00 C ATOM 408 CG LEU A 31 -10.562 -0.543 1.386 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.442 -1.657 0.358 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.773 -1.120 2.778 1.00 0.00 C ATOM 0 H LEU A 31 -10.396 2.286 0.242 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.962 1.594 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.031 0.503 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.501 -0.188 1.839 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.429 0.067 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.335 -2.281 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.339 -1.224 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.566 -2.265 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.662 -1.751 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.905 -1.715 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.904 -0.307 3.493 1.00 0.00 H new ATOM 422 N GLN A 32 -7.809 2.663 3.534 1.00 0.00 N ATOM 423 CA GLN A 32 -6.525 3.245 3.905 1.00 0.00 C ATOM 424 C GLN A 32 -5.636 2.212 4.589 1.00 0.00 C ATOM 425 O GLN A 32 -6.102 1.429 5.417 1.00 0.00 O ATOM 426 CB GLN A 32 -6.734 4.447 4.829 1.00 0.00 C ATOM 427 CG GLN A 32 -5.442 5.146 5.220 1.00 0.00 C ATOM 428 CD GLN A 32 -4.811 4.552 6.463 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.401 3.699 7.127 1.00 0.00 O ATOM 430 NE2 GLN A 32 -3.604 5.002 6.787 1.00 0.00 N ATOM 0 H GLN A 32 -8.462 2.552 4.310 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.029 3.578 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.390 5.164 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.246 4.115 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.735 5.084 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.642 6.204 5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.151 5.710 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.130 4.640 7.614 1.00 0.00 H new ATOM 439 N CYS A 33 -4.355 2.216 4.238 1.00 0.00 N ATOM 440 CA CYS A 33 -3.401 1.278 4.817 1.00 0.00 C ATOM 441 C CYS A 33 -1.991 1.860 4.807 1.00 0.00 C ATOM 442 O CYS A 33 -1.703 2.802 4.069 1.00 0.00 O ATOM 443 CB CYS A 33 -3.424 -0.045 4.050 1.00 0.00 C ATOM 444 SG CYS A 33 -2.909 0.094 2.323 1.00 0.00 S ATOM 0 H CYS A 33 -3.953 2.859 3.555 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.692 1.095 5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.772 -0.757 4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.433 -0.455 4.085 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.917 1.344 1.967 1.00 0.00 H new ATOM 450 N SER A 34 -1.117 1.295 5.634 1.00 0.00 N ATOM 451 CA SER A 34 0.262 1.762 5.724 1.00 0.00 C ATOM 452 C SER A 34 1.230 0.697 5.218 1.00 0.00 C ATOM 453 O SER A 34 1.319 -0.395 5.780 1.00 0.00 O ATOM 454 CB SER A 34 0.603 2.133 7.168 1.00 0.00 C ATOM 455 OG SER A 34 -0.149 3.254 7.598 1.00 0.00 O ATOM 0 H SER A 34 -1.339 0.514 6.251 1.00 0.00 H new ATOM 0 HA SER A 34 0.362 2.647 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.402 1.284 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.668 2.353 7.249 1.00 0.00 H new ATOM 0 HG SER A 34 0.086 3.470 8.525 1.00 0.00 H new ATOM 461 N VAL A 35 1.955 1.023 4.153 1.00 0.00 N ATOM 462 CA VAL A 35 2.918 0.096 3.570 1.00 0.00 C ATOM 463 C VAL A 35 4.298 0.735 3.460 1.00 0.00 C ATOM 464 O VAL A 35 4.445 1.826 2.909 1.00 0.00 O ATOM 465 CB VAL A 35 2.470 -0.376 2.175 1.00 0.00 C ATOM 466 CG1 VAL A 35 3.450 -1.396 1.615 1.00 0.00 C ATOM 467 CG2 VAL A 35 1.063 -0.953 2.234 1.00 0.00 C ATOM 0 H VAL A 35 1.894 1.923 3.676 1.00 0.00 H new ATOM 0 HA VAL A 35 2.971 -0.765 4.236 1.00 0.00 H new ATOM 0 HB VAL A 35 2.458 0.485 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.116 -1.718 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.439 -0.944 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.498 -2.258 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.763 -1.282 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.046 -1.802 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.371 -0.189 2.588 1.00 0.00 H new ATOM 477 N ARG A 36 5.306 0.048 3.987 1.00 0.00 N ATOM 478 CA ARG A 36 6.675 0.549 3.948 1.00 0.00 C ATOM 479 C ARG A 36 7.539 -0.304 3.023 1.00 0.00 C ATOM 480 O ARG A 36 7.091 -1.325 2.505 1.00 0.00 O ATOM 481 CB ARG A 36 7.275 0.564 5.355 1.00 0.00 C ATOM 482 CG ARG A 36 6.925 1.810 6.153 1.00 0.00 C ATOM 483 CD ARG A 36 7.408 1.704 7.591 1.00 0.00 C ATOM 484 NE ARG A 36 6.858 0.532 8.268 1.00 0.00 N ATOM 485 CZ ARG A 36 7.086 0.248 9.545 1.00 0.00 C ATOM 486 NH1 ARG A 36 7.848 1.046 10.280 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.550 -0.837 10.090 1.00 0.00 N ATOM 0 H ARG A 36 5.201 -0.857 4.446 1.00 0.00 H new ATOM 0 HA ARG A 36 6.653 1.567 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.928 -0.315 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.359 0.484 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.374 2.684 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.845 1.960 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.497 1.653 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.124 2.604 8.136 1.00 0.00 H new ATOM 0 HE ARG A 36 6.267 -0.102 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.261 1.881 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.021 0.825 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.963 -1.453 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.725 -1.055 11.071 1.00 0.00 H new ATOM 501 N GLY A 37 8.782 0.125 2.822 1.00 0.00 N ATOM 502 CA GLY A 37 9.689 -0.610 1.960 1.00 0.00 C ATOM 503 C GLY A 37 10.558 0.305 1.120 1.00 0.00 C ATOM 504 O GLY A 37 10.280 1.498 0.995 1.00 0.00 O ATOM 0 H GLY A 37 9.176 0.968 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.325 -1.252 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.113 -1.263 1.304 1.00 0.00 H new ATOM 508 N THR A 38 11.617 -0.255 0.541 1.00 0.00 N ATOM 509 CA THR A 38 12.531 0.519 -0.290 1.00 0.00 C ATOM 510 C THR A 38 13.323 -0.387 -1.226 1.00 0.00 C ATOM 511 O THR A 38 14.002 -1.321 -0.799 1.00 0.00 O ATOM 512 CB THR A 38 13.515 1.336 0.569 1.00 0.00 C ATOM 513 OG1 THR A 38 12.838 2.448 1.166 1.00 0.00 O ATOM 514 CG2 THR A 38 14.680 1.837 -0.272 1.00 0.00 C ATOM 0 H THR A 38 11.862 -1.241 0.633 1.00 0.00 H new ATOM 0 HA THR A 38 11.921 1.203 -0.880 1.00 0.00 H new ATOM 0 HB THR A 38 13.906 0.686 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.870 2.331 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.362 2.411 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.211 0.987 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.303 2.472 -1.074 1.00 0.00 H new ATOM 522 N PRO A 39 13.236 -0.107 -2.535 1.00 0.00 N ATOM 523 CA PRO A 39 12.430 1.002 -3.055 1.00 0.00 C ATOM 524 C PRO A 39 10.934 0.749 -2.910 1.00 0.00 C ATOM 525 O PRO A 39 10.503 -0.384 -2.694 1.00 0.00 O ATOM 526 CB PRO A 39 12.822 1.061 -4.534 1.00 0.00 C ATOM 527 CG PRO A 39 13.279 -0.319 -4.861 1.00 0.00 C ATOM 528 CD PRO A 39 13.917 -0.851 -3.608 1.00 0.00 C ATOM 0 HA PRO A 39 12.615 1.930 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.977 1.356 -5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.613 1.791 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.441 -0.945 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.990 -0.309 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.769 -1.926 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.993 -0.675 -3.599 1.00 0.00 H new ATOM 536 N VAL A 40 10.144 1.811 -3.031 1.00 0.00 N ATOM 537 CA VAL A 40 8.695 1.704 -2.915 1.00 0.00 C ATOM 538 C VAL A 40 8.162 0.540 -3.743 1.00 0.00 C ATOM 539 O VAL A 40 8.366 0.462 -4.954 1.00 0.00 O ATOM 540 CB VAL A 40 7.998 3.001 -3.366 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.486 2.856 -3.273 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.480 4.181 -2.536 1.00 0.00 C ATOM 0 H VAL A 40 10.484 2.756 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 40 8.474 1.529 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 40 8.258 3.188 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.011 3.782 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.159 2.038 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.204 2.644 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.977 5.089 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.252 4.004 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.557 4.297 -2.659 1.00 0.00 H new ATOM 552 N PRO A 41 7.461 -0.389 -3.075 1.00 0.00 N ATOM 553 CA PRO A 41 6.883 -1.566 -3.729 1.00 0.00 C ATOM 554 C PRO A 41 5.719 -1.207 -4.647 1.00 0.00 C ATOM 555 O PRO A 41 5.168 -0.109 -4.566 1.00 0.00 O ATOM 556 CB PRO A 41 6.394 -2.420 -2.556 1.00 0.00 C ATOM 557 CG PRO A 41 6.154 -1.447 -1.454 1.00 0.00 C ATOM 558 CD PRO A 41 7.178 -0.360 -1.630 1.00 0.00 C ATOM 0 HA PRO A 41 7.606 -2.071 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.483 -2.960 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.137 -3.165 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.143 -1.042 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.258 -1.927 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.793 0.610 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.075 -0.553 -1.041 1.00 0.00 H new ATOM 566 N ARG A 42 5.350 -2.139 -5.520 1.00 0.00 N ATOM 567 CA ARG A 42 4.252 -1.919 -6.453 1.00 0.00 C ATOM 568 C ARG A 42 2.904 -2.073 -5.754 1.00 0.00 C ATOM 569 O ARG A 42 2.650 -3.078 -5.090 1.00 0.00 O ATOM 570 CB ARG A 42 4.346 -2.899 -7.624 1.00 0.00 C ATOM 571 CG ARG A 42 5.291 -2.445 -8.724 1.00 0.00 C ATOM 572 CD ARG A 42 6.710 -2.934 -8.476 1.00 0.00 C ATOM 573 NE ARG A 42 7.662 -2.353 -9.420 1.00 0.00 N ATOM 574 CZ ARG A 42 8.976 -2.344 -9.226 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.491 -2.882 -8.130 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.777 -1.797 -10.131 1.00 0.00 N ATOM 0 H ARG A 42 5.795 -3.053 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 42 4.330 -0.900 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.676 -3.868 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.352 -3.043 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.939 -2.819 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.285 -1.357 -8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.008 -2.681 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.738 -4.021 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 42 7.298 -1.931 -10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.878 -3.304 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.500 -2.874 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.384 -1.383 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.786 -1.790 -9.982 1.00 0.00 H new ATOM 590 N ILE A 43 2.046 -1.070 -5.907 1.00 0.00 N ATOM 591 CA ILE A 43 0.726 -1.094 -5.291 1.00 0.00 C ATOM 592 C ILE A 43 -0.340 -1.530 -6.291 1.00 0.00 C ATOM 593 O ILE A 43 -0.673 -0.794 -7.221 1.00 0.00 O ATOM 594 CB ILE A 43 0.345 0.284 -4.720 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.459 0.810 -3.813 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.969 0.198 -3.959 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.801 -0.123 -2.672 1.00 0.00 C ATOM 0 H ILE A 43 2.242 -0.231 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 43 0.772 -1.815 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 43 0.217 0.981 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.353 0.981 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.159 1.775 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.224 1.180 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.758 -0.137 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.868 -0.511 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.598 0.314 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.919 -0.275 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.132 -1.081 -3.072 1.00 0.00 H new ATOM 609 N THR A 44 -0.874 -2.731 -6.094 1.00 0.00 N ATOM 610 CA THR A 44 -1.902 -3.265 -6.978 1.00 0.00 C ATOM 611 C THR A 44 -3.085 -3.804 -6.182 1.00 0.00 C ATOM 612 O THR A 44 -2.949 -4.762 -5.422 1.00 0.00 O ATOM 613 CB THR A 44 -1.346 -4.388 -7.873 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.245 -3.899 -8.646 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.425 -4.925 -8.801 1.00 0.00 C ATOM 0 H THR A 44 -0.611 -3.353 -5.329 1.00 0.00 H new ATOM 0 HA THR A 44 -2.236 -2.441 -7.608 1.00 0.00 H new ATOM 0 HB THR A 44 -1.005 -5.200 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.104 -4.620 -9.211 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.009 -5.717 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.249 -5.324 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.792 -4.119 -9.437 1.00 0.00 H new ATOM 623 N TRP A 45 -4.245 -3.182 -6.362 1.00 0.00 N ATOM 624 CA TRP A 45 -5.453 -3.601 -5.660 1.00 0.00 C ATOM 625 C TRP A 45 -6.228 -4.629 -6.477 1.00 0.00 C ATOM 626 O TRP A 45 -6.608 -4.371 -7.620 1.00 0.00 O ATOM 627 CB TRP A 45 -6.342 -2.391 -5.365 1.00 0.00 C ATOM 628 CG TRP A 45 -5.689 -1.379 -4.473 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.737 -0.467 -4.828 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.941 -1.177 -3.078 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.381 0.290 -3.737 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.106 -0.126 -2.652 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.792 -1.781 -2.148 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.097 0.331 -1.337 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.782 -1.326 -0.843 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.940 -0.278 -0.447 1.00 0.00 C ATOM 0 H TRP A 45 -4.375 -2.387 -6.987 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.155 -4.062 -4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.617 -1.913 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.266 -2.733 -4.899 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.324 -0.357 -5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.689 1.040 -3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.445 -2.588 -2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.448 1.138 -1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.434 -1.786 -0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.957 0.056 0.580 1.00 0.00 H new ATOM 647 N LEU A 46 -6.461 -5.795 -5.884 1.00 0.00 N ATOM 648 CA LEU A 46 -7.192 -6.863 -6.557 1.00 0.00 C ATOM 649 C LEU A 46 -8.548 -7.094 -5.898 1.00 0.00 C ATOM 650 O LEU A 46 -8.636 -7.285 -4.684 1.00 0.00 O ATOM 651 CB LEU A 46 -6.376 -8.157 -6.538 1.00 0.00 C ATOM 652 CG LEU A 46 -4.908 -8.031 -6.949 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.070 -9.102 -6.269 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.768 -8.122 -8.461 1.00 0.00 C ATOM 0 H LEU A 46 -6.154 -6.025 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.358 -6.560 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.416 -8.574 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.858 -8.876 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.543 -7.055 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.029 -8.997 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.145 -8.990 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.435 -10.088 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.717 -8.030 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.150 -9.083 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.336 -7.318 -8.928 1.00 0.00 H new ATOM 666 N LEU A 47 -9.603 -7.078 -6.705 1.00 0.00 N ATOM 667 CA LEU A 47 -10.955 -7.289 -6.201 1.00 0.00 C ATOM 668 C LEU A 47 -11.451 -8.691 -6.540 1.00 0.00 C ATOM 669 O LEU A 47 -11.808 -8.973 -7.683 1.00 0.00 O ATOM 670 CB LEU A 47 -11.907 -6.243 -6.785 1.00 0.00 C ATOM 671 CG LEU A 47 -13.385 -6.408 -6.430 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.583 -6.326 -4.924 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.224 -5.354 -7.138 1.00 0.00 C ATOM 0 H LEU A 47 -9.548 -6.921 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.932 -7.185 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.582 -5.258 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.811 -6.259 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.713 -7.391 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.641 -6.445 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.012 -7.117 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.239 -5.357 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.273 -5.486 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.895 -4.361 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.105 -5.459 -8.216 1.00 0.00 H new ATOM 685 N ASN A 48 -11.472 -9.564 -5.539 1.00 0.00 N ATOM 686 CA ASN A 48 -11.926 -10.937 -5.731 1.00 0.00 C ATOM 687 C ASN A 48 -10.951 -11.714 -6.610 1.00 0.00 C ATOM 688 O ASN A 48 -11.360 -12.489 -7.474 1.00 0.00 O ATOM 689 CB ASN A 48 -13.321 -10.951 -6.360 1.00 0.00 C ATOM 690 CG ASN A 48 -14.298 -10.059 -5.620 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.394 -10.107 -4.393 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.029 -9.237 -6.364 1.00 0.00 N ATOM 0 H ASN A 48 -11.180 -9.346 -4.586 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.970 -11.419 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.252 -10.626 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.702 -11.972 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.703 -8.612 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.917 -9.231 -7.378 1.00 0.00 H new ATOM 699 N GLY A 49 -9.658 -11.501 -6.383 1.00 0.00 N ATOM 700 CA GLY A 49 -8.645 -12.189 -7.162 1.00 0.00 C ATOM 701 C GLY A 49 -8.337 -11.481 -8.467 1.00 0.00 C ATOM 702 O GLY A 49 -7.215 -11.552 -8.968 1.00 0.00 O ATOM 0 H GLY A 49 -9.294 -10.864 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.732 -12.272 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.981 -13.204 -7.373 1.00 0.00 H new ATOM 706 N GLN A 50 -9.335 -10.797 -9.017 1.00 0.00 N ATOM 707 CA GLN A 50 -9.164 -10.076 -10.273 1.00 0.00 C ATOM 708 C GLN A 50 -8.678 -8.652 -10.021 1.00 0.00 C ATOM 709 O GLN A 50 -9.100 -7.985 -9.076 1.00 0.00 O ATOM 710 CB GLN A 50 -10.480 -10.048 -11.052 1.00 0.00 C ATOM 711 CG GLN A 50 -10.860 -11.392 -11.653 1.00 0.00 C ATOM 712 CD GLN A 50 -9.802 -11.928 -12.598 1.00 0.00 C ATOM 713 OE1 GLN A 50 -8.927 -12.695 -12.196 1.00 0.00 O ATOM 714 NE2 GLN A 50 -9.878 -11.527 -13.861 1.00 0.00 N ATOM 0 H GLN A 50 -10.269 -10.727 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.411 -10.598 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.279 -9.717 -10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.404 -9.310 -11.851 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.023 -12.111 -10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.804 -11.292 -12.189 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.621 -10.890 -14.150 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.194 -11.856 -14.542 1.00 0.00 H new ATOM 723 N PRO A 51 -7.770 -8.175 -10.885 1.00 0.00 N ATOM 724 CA PRO A 51 -7.207 -6.826 -10.776 1.00 0.00 C ATOM 725 C PRO A 51 -8.230 -5.743 -11.102 1.00 0.00 C ATOM 726 O PRO A 51 -9.046 -5.900 -12.011 1.00 0.00 O ATOM 727 CB PRO A 51 -6.081 -6.827 -11.813 1.00 0.00 C ATOM 728 CG PRO A 51 -6.484 -7.860 -12.809 1.00 0.00 C ATOM 729 CD PRO A 51 -7.223 -8.915 -12.034 1.00 0.00 C ATOM 0 HA PRO A 51 -6.872 -6.605 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.972 -5.848 -12.280 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.122 -7.071 -11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.118 -7.429 -13.584 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.612 -8.282 -13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.013 -9.372 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.559 -9.718 -11.715 1.00 0.00 H new ATOM 737 N ILE A 52 -8.181 -4.645 -10.356 1.00 0.00 N ATOM 738 CA ILE A 52 -9.103 -3.536 -10.567 1.00 0.00 C ATOM 739 C ILE A 52 -8.681 -2.691 -11.764 1.00 0.00 C ATOM 740 O ILE A 52 -7.495 -2.426 -11.961 1.00 0.00 O ATOM 741 CB ILE A 52 -9.193 -2.634 -9.322 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.653 -3.446 -8.110 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.141 -1.471 -9.578 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.608 -2.671 -6.811 1.00 0.00 C ATOM 0 H ILE A 52 -7.512 -4.499 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.083 -3.972 -10.761 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.203 -2.231 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.672 -3.794 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.025 -4.332 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.194 -0.842 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.775 -0.881 -10.418 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.134 -1.855 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.948 -3.309 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.586 -2.346 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.258 -1.799 -6.885 1.00 0.00 H new ATOM 756 N GLN A 53 -9.659 -2.269 -12.559 1.00 0.00 N ATOM 757 CA GLN A 53 -9.388 -1.452 -13.736 1.00 0.00 C ATOM 758 C GLN A 53 -9.553 0.030 -13.419 1.00 0.00 C ATOM 759 O GLN A 53 -8.832 0.873 -13.955 1.00 0.00 O ATOM 760 CB GLN A 53 -10.320 -1.848 -14.883 1.00 0.00 C ATOM 761 CG GLN A 53 -11.765 -1.426 -14.665 1.00 0.00 C ATOM 762 CD GLN A 53 -12.730 -2.159 -15.576 1.00 0.00 C ATOM 763 OE1 GLN A 53 -12.764 -1.922 -16.784 1.00 0.00 O ATOM 764 NE2 GLN A 53 -13.522 -3.056 -15.000 1.00 0.00 N ATOM 0 H GLN A 53 -10.646 -2.479 -12.410 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.356 -1.627 -14.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.955 -1.401 -15.808 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.282 -2.929 -15.015 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.041 -1.610 -13.627 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.856 -0.353 -14.834 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.460 -3.221 -13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.192 -3.580 -15.562 1.00 0.00 H new ATOM 773 N TYR A 54 -10.505 0.342 -12.547 1.00 0.00 N ATOM 774 CA TYR A 54 -10.766 1.723 -12.161 1.00 0.00 C ATOM 775 C TYR A 54 -10.275 1.995 -10.742 1.00 0.00 C ATOM 776 O TYR A 54 -10.988 2.581 -9.928 1.00 0.00 O ATOM 777 CB TYR A 54 -12.261 2.030 -12.263 1.00 0.00 C ATOM 778 CG TYR A 54 -13.145 0.860 -11.895 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.266 0.443 -10.574 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.859 0.170 -12.867 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.072 -0.626 -10.233 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.668 -0.899 -12.534 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.771 -1.293 -11.216 1.00 0.00 C ATOM 784 OH TYR A 54 -15.575 -2.359 -10.882 1.00 0.00 O ATOM 0 H TYR A 54 -11.109 -0.344 -12.094 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.221 2.373 -12.845 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.496 2.871 -11.611 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.491 2.342 -13.282 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.720 0.964 -9.801 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.780 0.475 -13.900 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.154 -0.937 -9.202 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.217 -1.424 -13.302 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.997 -2.716 -11.691 1.00 0.00 H new ATOM 794 N ALA A 55 -9.051 1.564 -10.454 1.00 0.00 N ATOM 795 CA ALA A 55 -8.462 1.762 -9.135 1.00 0.00 C ATOM 796 C ALA A 55 -7.607 3.024 -9.100 1.00 0.00 C ATOM 797 O ALA A 55 -6.450 3.012 -9.519 1.00 0.00 O ATOM 798 CB ALA A 55 -7.634 0.549 -8.740 1.00 0.00 C ATOM 0 H ALA A 55 -8.448 1.076 -11.116 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.272 1.884 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.200 0.710 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.272 -0.335 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.836 0.401 -9.467 1.00 0.00 H new ATOM 804 N ARG A 56 -8.184 4.110 -8.598 1.00 0.00 N ATOM 805 CA ARG A 56 -7.475 5.381 -8.510 1.00 0.00 C ATOM 806 C ARG A 56 -6.861 5.566 -7.125 1.00 0.00 C ATOM 807 O ARG A 56 -7.117 6.562 -6.450 1.00 0.00 O ATOM 808 CB ARG A 56 -8.423 6.541 -8.818 1.00 0.00 C ATOM 809 CG ARG A 56 -8.490 6.897 -10.294 1.00 0.00 C ATOM 810 CD ARG A 56 -9.361 8.121 -10.533 1.00 0.00 C ATOM 811 NE ARG A 56 -8.851 9.300 -9.839 1.00 0.00 N ATOM 812 CZ ARG A 56 -9.136 9.590 -8.575 1.00 0.00 C ATOM 813 NH1 ARG A 56 -9.924 8.790 -7.869 1.00 0.00 N ATOM 814 NH2 ARG A 56 -8.633 10.682 -8.013 1.00 0.00 N ATOM 0 H ARG A 56 -9.141 4.136 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.672 5.372 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.423 6.284 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.105 7.419 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.484 7.086 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.887 6.051 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.414 8.325 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.377 7.914 -10.197 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.242 9.936 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.313 7.950 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.141 9.015 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.027 11.300 -8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.853 10.903 -7.042 1.00 0.00 H new ATOM 828 N SER A 57 -6.049 4.599 -6.709 1.00 0.00 N ATOM 829 CA SER A 57 -5.402 4.652 -5.404 1.00 0.00 C ATOM 830 C SER A 57 -4.208 5.602 -5.428 1.00 0.00 C ATOM 831 O SER A 57 -3.604 5.833 -6.477 1.00 0.00 O ATOM 832 CB SER A 57 -4.948 3.255 -4.978 1.00 0.00 C ATOM 833 OG SER A 57 -4.045 3.322 -3.888 1.00 0.00 O ATOM 0 H SER A 57 -5.824 3.769 -7.258 1.00 0.00 H new ATOM 0 HA SER A 57 -6.128 5.026 -4.682 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.815 2.657 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.471 2.752 -5.819 1.00 0.00 H new ATOM 0 HG SER A 57 -4.350 4.003 -3.252 1.00 0.00 H new ATOM 839 N THR A 58 -3.871 6.150 -4.265 1.00 0.00 N ATOM 840 CA THR A 58 -2.751 7.075 -4.151 1.00 0.00 C ATOM 841 C THR A 58 -1.907 6.768 -2.919 1.00 0.00 C ATOM 842 O THR A 58 -2.408 6.779 -1.794 1.00 0.00 O ATOM 843 CB THR A 58 -3.234 8.536 -4.078 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.371 8.633 -3.212 1.00 0.00 O ATOM 845 CG2 THR A 58 -3.597 9.056 -5.460 1.00 0.00 C ATOM 0 H THR A 58 -4.359 5.969 -3.388 1.00 0.00 H new ATOM 0 HA THR A 58 -2.142 6.946 -5.046 1.00 0.00 H new ATOM 0 HB THR A 58 -2.422 9.145 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.220 8.088 -2.412 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.935 10.089 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.722 9.008 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.394 8.444 -5.881 1.00 0.00 H new ATOM 853 N CYS A 59 -0.626 6.496 -3.139 1.00 0.00 N ATOM 854 CA CYS A 59 0.288 6.186 -2.045 1.00 0.00 C ATOM 855 C CYS A 59 1.034 7.435 -1.589 1.00 0.00 C ATOM 856 O CYS A 59 1.757 8.056 -2.368 1.00 0.00 O ATOM 857 CB CYS A 59 1.286 5.110 -2.476 1.00 0.00 C ATOM 858 SG CYS A 59 2.105 5.452 -4.051 1.00 0.00 S ATOM 0 H CYS A 59 -0.197 6.484 -4.064 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.301 5.811 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.044 5.001 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.766 4.155 -2.549 1.00 0.00 H new ATOM 0 HG CYS A 59 2.388 6.719 -4.127 1.00 0.00 H new ATOM 864 N GLU A 60 0.852 7.798 -0.323 1.00 0.00 N ATOM 865 CA GLU A 60 1.507 8.976 0.235 1.00 0.00 C ATOM 866 C GLU A 60 2.513 8.580 1.312 1.00 0.00 C ATOM 867 O GLU A 60 2.157 8.417 2.478 1.00 0.00 O ATOM 868 CB GLU A 60 0.468 9.935 0.819 1.00 0.00 C ATOM 869 CG GLU A 60 -0.103 10.908 -0.199 1.00 0.00 C ATOM 870 CD GLU A 60 -1.343 10.372 -0.886 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.452 10.566 -0.345 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.206 9.758 -1.965 1.00 0.00 O ATOM 0 H GLU A 60 0.257 7.294 0.335 1.00 0.00 H new ATOM 0 HA GLU A 60 2.043 9.479 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.347 9.355 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.924 10.499 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.345 11.848 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.656 11.130 -0.949 1.00 0.00 H new ATOM 879 N ALA A 61 3.771 8.426 0.911 1.00 0.00 N ATOM 880 CA ALA A 61 4.828 8.051 1.841 1.00 0.00 C ATOM 881 C ALA A 61 4.710 6.585 2.244 1.00 0.00 C ATOM 882 O ALA A 61 5.154 6.190 3.321 1.00 0.00 O ATOM 883 CB ALA A 61 4.790 8.944 3.072 1.00 0.00 C ATOM 0 H ALA A 61 4.082 8.555 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 61 5.785 8.186 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.585 8.652 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.932 9.982 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.826 8.838 3.569 1.00 0.00 H new ATOM 889 N GLY A 62 4.108 5.782 1.371 1.00 0.00 N ATOM 890 CA GLY A 62 3.942 4.369 1.656 1.00 0.00 C ATOM 891 C GLY A 62 2.510 4.011 2.000 1.00 0.00 C ATOM 892 O GLY A 62 2.069 2.887 1.763 1.00 0.00 O ATOM 0 H GLY A 62 3.733 6.085 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.261 3.787 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.592 4.090 2.485 1.00 0.00 H new ATOM 896 N VAL A 63 1.781 4.970 2.562 1.00 0.00 N ATOM 897 CA VAL A 63 0.390 4.751 2.941 1.00 0.00 C ATOM 898 C VAL A 63 -0.505 4.653 1.711 1.00 0.00 C ATOM 899 O VAL A 63 -1.002 5.662 1.210 1.00 0.00 O ATOM 900 CB VAL A 63 -0.129 5.879 3.851 1.00 0.00 C ATOM 901 CG1 VAL A 63 -0.120 7.209 3.112 1.00 0.00 C ATOM 902 CG2 VAL A 63 -1.524 5.553 4.362 1.00 0.00 C ATOM 0 H VAL A 63 2.131 5.906 2.765 1.00 0.00 H new ATOM 0 HA VAL A 63 0.356 3.809 3.488 1.00 0.00 H new ATOM 0 HB VAL A 63 0.537 5.964 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.490 7.994 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.898 7.446 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.761 7.141 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.875 6.361 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.204 5.439 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.495 4.624 4.932 1.00 0.00 H new ATOM 912 N ALA A 64 -0.707 3.431 1.228 1.00 0.00 N ATOM 913 CA ALA A 64 -1.545 3.201 0.058 1.00 0.00 C ATOM 914 C ALA A 64 -3.024 3.333 0.407 1.00 0.00 C ATOM 915 O ALA A 64 -3.483 2.796 1.414 1.00 0.00 O ATOM 916 CB ALA A 64 -1.260 1.829 -0.534 1.00 0.00 C ATOM 0 H ALA A 64 -0.302 2.585 1.629 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.305 3.962 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.893 1.671 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.213 1.771 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.470 1.061 0.210 1.00 0.00 H new ATOM 922 N GLU A 65 -3.763 4.051 -0.432 1.00 0.00 N ATOM 923 CA GLU A 65 -5.190 4.254 -0.210 1.00 0.00 C ATOM 924 C GLU A 65 -5.967 4.134 -1.518 1.00 0.00 C ATOM 925 O GLU A 65 -5.579 4.705 -2.539 1.00 0.00 O ATOM 926 CB GLU A 65 -5.441 5.625 0.421 1.00 0.00 C ATOM 927 CG GLU A 65 -4.537 5.925 1.605 1.00 0.00 C ATOM 928 CD GLU A 65 -5.018 7.108 2.421 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.147 7.043 2.952 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.266 8.099 2.530 1.00 0.00 O ATOM 0 H GLU A 65 -3.398 4.502 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.539 3.479 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.301 6.396 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.480 5.682 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.480 5.045 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.527 6.123 1.245 1.00 0.00 H new ATOM 937 N LEU A 66 -7.065 3.388 -1.481 1.00 0.00 N ATOM 938 CA LEU A 66 -7.898 3.192 -2.663 1.00 0.00 C ATOM 939 C LEU A 66 -9.248 3.882 -2.498 1.00 0.00 C ATOM 940 O LEU A 66 -10.124 3.392 -1.784 1.00 0.00 O ATOM 941 CB LEU A 66 -8.103 1.699 -2.924 1.00 0.00 C ATOM 942 CG LEU A 66 -9.202 1.338 -3.925 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.643 1.298 -5.339 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.835 0.003 -3.562 1.00 0.00 C ATOM 0 H LEU A 66 -7.400 2.908 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.386 3.637 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.162 1.280 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.329 1.212 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.973 2.107 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.439 1.040 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.237 2.276 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.852 0.550 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.615 -0.238 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.073 -0.777 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.271 0.066 -2.565 1.00 0.00 H new ATOM 956 N HIS A 67 -9.411 5.020 -3.165 1.00 0.00 N ATOM 957 CA HIS A 67 -10.657 5.776 -3.095 1.00 0.00 C ATOM 958 C HIS A 67 -11.737 5.124 -3.954 1.00 0.00 C ATOM 959 O HIS A 67 -11.601 5.033 -5.174 1.00 0.00 O ATOM 960 CB HIS A 67 -10.429 7.218 -3.549 1.00 0.00 C ATOM 961 CG HIS A 67 -9.514 7.991 -2.650 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.967 8.795 -1.626 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.163 8.079 -2.626 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.935 9.345 -1.011 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.829 8.926 -1.598 1.00 0.00 N ATOM 0 H HIS A 67 -8.696 5.439 -3.760 1.00 0.00 H new ATOM 0 HA HIS A 67 -10.994 5.778 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.015 7.212 -4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.390 7.730 -3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.476 7.577 -3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.987 10.022 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.880 9.189 -1.331 1.00 0.00 H new ATOM 974 N ILE A 68 -12.806 4.672 -3.308 1.00 0.00 N ATOM 975 CA ILE A 68 -13.909 4.030 -4.013 1.00 0.00 C ATOM 976 C ILE A 68 -15.210 4.800 -3.818 1.00 0.00 C ATOM 977 O ILE A 68 -15.722 4.898 -2.703 1.00 0.00 O ATOM 978 CB ILE A 68 -14.109 2.578 -3.541 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.884 1.731 -3.892 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.365 1.987 -4.163 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.588 1.681 -5.375 1.00 0.00 C ATOM 0 H ILE A 68 -12.932 4.738 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.647 4.027 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.229 2.577 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.015 2.130 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.037 0.716 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.493 0.960 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.231 2.579 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.273 1.998 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.707 1.063 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.441 1.254 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.402 2.690 -5.743 1.00 0.00 H new ATOM 993 N GLN A 69 -15.739 5.344 -4.909 1.00 0.00 N ATOM 994 CA GLN A 69 -16.982 6.104 -4.857 1.00 0.00 C ATOM 995 C GLN A 69 -18.159 5.257 -5.328 1.00 0.00 C ATOM 996 O GLN A 69 -17.976 4.236 -5.991 1.00 0.00 O ATOM 997 CB GLN A 69 -16.870 7.365 -5.716 1.00 0.00 C ATOM 998 CG GLN A 69 -16.837 7.082 -7.210 1.00 0.00 C ATOM 999 CD GLN A 69 -16.694 8.342 -8.039 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -17.634 9.127 -8.165 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -15.512 8.544 -8.611 1.00 0.00 N ATOM 0 H GLN A 69 -15.326 5.273 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.158 6.393 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.713 8.020 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.966 7.906 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.007 6.410 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.752 6.564 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.760 7.867 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.357 9.376 -9.181 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.368 5.686 -4.980 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.576 4.967 -5.368 1.00 0.00 C ATOM 1012 C ASP A 70 -20.466 3.488 -5.011 1.00 0.00 C ATOM 1013 O ASP A 70 -20.668 2.619 -5.858 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.829 5.125 -6.868 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.304 5.066 -7.215 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.044 5.991 -6.820 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.717 4.096 -7.883 1.00 0.00 O ATOM 0 H ASP A 70 -19.537 6.528 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.416 5.393 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.417 6.076 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -20.300 4.340 -7.408 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.143 3.211 -3.752 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.007 1.838 -3.283 1.00 0.00 C ATOM 1024 C ALA A 71 -21.279 1.039 -3.548 1.00 0.00 C ATOM 1025 O ALA A 71 -22.209 1.047 -2.741 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.669 1.818 -1.799 1.00 0.00 C ATOM 0 H ALA A 71 -19.971 3.919 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.193 1.370 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.570 0.786 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.730 2.345 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.465 2.308 -1.238 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.313 0.351 -4.684 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.472 -0.454 -5.056 1.00 0.00 C ATOM 1034 C LEU A 72 -22.481 -1.778 -4.299 1.00 0.00 C ATOM 1035 O LEU A 72 -21.445 -2.281 -3.865 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.473 -0.715 -6.563 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.773 0.491 -7.453 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.486 0.164 -8.911 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.218 0.936 -7.279 1.00 0.00 C ATOM 0 H LEU A 72 -20.552 0.334 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.371 0.102 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.498 -1.114 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.208 -1.491 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.122 1.311 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.706 1.035 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.436 -0.105 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.111 -0.672 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.414 1.796 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.886 0.119 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.391 1.212 -6.239 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.680 -2.359 -4.137 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.853 -3.634 -3.435 1.00 0.00 C ATOM 1053 C PRO A 73 -23.279 -4.810 -4.218 1.00 0.00 C ATOM 1054 O PRO A 73 -23.377 -5.959 -3.789 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.373 -3.766 -3.309 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.918 -2.957 -4.435 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.957 -1.816 -4.628 1.00 0.00 C ATOM 0 HA PRO A 73 -23.329 -3.647 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.687 -4.807 -3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.724 -3.393 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -26.000 -3.556 -5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.918 -2.590 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.891 -1.519 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.262 -0.934 -4.065 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.680 -4.514 -5.367 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.091 -5.548 -6.209 1.00 0.00 C ATOM 1067 C GLU A 74 -20.579 -5.370 -6.312 1.00 0.00 C ATOM 1068 O GLU A 74 -19.908 -6.083 -7.059 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.715 -5.517 -7.605 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.486 -4.210 -8.346 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.894 -4.287 -9.804 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.833 -5.046 -10.119 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -22.272 -3.587 -10.631 1.00 0.00 O ATOM 0 H GLU A 74 -22.590 -3.567 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.295 -6.515 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.305 -6.336 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.787 -5.693 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.049 -3.416 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.432 -3.940 -8.281 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.049 -4.414 -5.558 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.616 -4.141 -5.563 1.00 0.00 C ATOM 1082 C ASP A 75 -17.924 -4.849 -4.402 1.00 0.00 C ATOM 1083 O ASP A 75 -16.764 -5.249 -4.508 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.362 -2.635 -5.483 1.00 0.00 C ATOM 1085 CG ASP A 75 -16.962 -2.260 -5.927 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.464 -2.869 -6.897 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.363 -1.358 -5.304 1.00 0.00 O ATOM 0 H ASP A 75 -20.590 -3.814 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.201 -4.522 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.089 -2.113 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.518 -2.297 -4.459 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.643 -4.999 -3.294 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.098 -5.659 -2.113 1.00 0.00 C ATOM 1094 C HIS A 76 -17.393 -6.957 -2.492 1.00 0.00 C ATOM 1095 O HIS A 76 -17.780 -7.629 -3.447 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.210 -5.944 -1.103 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.900 -7.255 -1.327 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.270 -7.707 -2.576 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.285 -8.213 -0.452 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.855 -8.886 -2.459 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -20.876 -9.216 -1.181 1.00 0.00 N ATOM 0 H HIS A 76 -19.604 -4.673 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.368 -4.990 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.789 -5.931 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.947 -5.142 -1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.152 -8.193 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.249 -9.479 -3.271 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.268 -10.076 -0.797 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.355 -7.304 -1.737 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.612 -8.521 -2.011 1.00 0.00 C ATOM 1112 C GLY A 77 -14.383 -8.659 -1.134 1.00 0.00 C ATOM 1113 O GLY A 77 -14.452 -8.468 0.080 1.00 0.00 O ATOM 0 H GLY A 77 -16.015 -6.765 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.262 -9.382 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.310 -8.531 -3.058 1.00 0.00 H new ATOM 1117 N THR A 78 -13.254 -8.995 -1.750 1.00 0.00 N ATOM 1118 CA THR A 78 -12.005 -9.163 -1.017 1.00 0.00 C ATOM 1119 C THR A 78 -10.876 -8.372 -1.668 1.00 0.00 C ATOM 1120 O THR A 78 -10.307 -8.796 -2.674 1.00 0.00 O ATOM 1121 CB THR A 78 -11.596 -10.645 -0.935 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.718 -11.441 -0.536 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.455 -10.838 0.052 1.00 0.00 C ATOM 0 H THR A 78 -13.179 -9.156 -2.754 1.00 0.00 H new ATOM 0 HA THR A 78 -12.177 -8.785 -0.009 1.00 0.00 H new ATOM 0 HB THR A 78 -11.259 -10.961 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.033 -11.145 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.184 -11.893 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.593 -10.254 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.770 -10.506 1.041 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.556 -7.221 -1.088 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.495 -6.369 -1.613 1.00 0.00 C ATOM 1133 C TYR A 79 -8.134 -6.800 -1.075 1.00 0.00 C ATOM 1134 O TYR A 79 -7.858 -6.681 0.120 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.759 -4.907 -1.249 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.981 -4.327 -1.924 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.252 -4.536 -1.403 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.865 -3.569 -3.083 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.372 -4.008 -2.017 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.979 -3.036 -3.703 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.230 -3.259 -3.166 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.343 -2.731 -3.780 1.00 0.00 O ATOM 0 H TYR A 79 -11.016 -6.856 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.486 -6.471 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.878 -4.826 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.887 -4.311 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.367 -5.121 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.887 -3.393 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.353 -4.181 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.871 -2.448 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.070 -2.229 -4.576 1.00 0.00 H new ATOM 1152 N THR A 80 -7.284 -7.302 -1.966 1.00 0.00 N ATOM 1153 CA THR A 80 -5.952 -7.752 -1.583 1.00 0.00 C ATOM 1154 C THR A 80 -4.876 -6.845 -2.169 1.00 0.00 C ATOM 1155 O THR A 80 -4.616 -6.872 -3.373 1.00 0.00 O ATOM 1156 CB THR A 80 -5.694 -9.199 -2.043 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.662 -10.079 -1.460 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.294 -9.649 -1.656 1.00 0.00 C ATOM 0 H THR A 80 -7.495 -7.407 -2.958 1.00 0.00 H new ATOM 0 HA THR A 80 -5.905 -7.711 -0.495 1.00 0.00 H new ATOM 0 HB THR A 80 -5.781 -9.232 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.492 -10.997 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.135 -10.674 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.559 -8.996 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.183 -9.601 -0.573 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.253 -6.044 -1.312 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.204 -5.128 -1.746 1.00 0.00 C ATOM 1168 C CYS A 81 -1.858 -5.840 -1.824 1.00 0.00 C ATOM 1169 O CYS A 81 -1.305 -6.258 -0.805 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.111 -3.938 -0.790 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.991 -2.631 -1.346 1.00 0.00 S ATOM 0 H CYS A 81 -4.456 -6.010 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.460 -4.766 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.107 -3.515 -0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.781 -4.294 0.186 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.981 -1.668 -0.473 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.337 -5.977 -3.038 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.055 -6.641 -3.249 1.00 0.00 C ATOM 1179 C LEU A 82 1.080 -5.625 -3.321 1.00 0.00 C ATOM 1180 O LEU A 82 1.030 -4.678 -4.106 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.094 -7.471 -4.534 1.00 0.00 C ATOM 1182 CG LEU A 82 1.257 -7.953 -5.063 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.003 -8.732 -3.991 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.069 -8.804 -6.310 1.00 0.00 C ATOM 0 H LEU A 82 -1.782 -5.638 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 82 0.127 -7.302 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.726 -8.342 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.575 -6.878 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 82 1.853 -7.080 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.962 -9.067 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.171 -8.091 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.411 -9.597 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.041 -9.138 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.454 -9.671 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.577 -8.213 -7.083 1.00 0.00 H new ATOM 1196 N ALA A 83 2.103 -5.828 -2.498 1.00 0.00 N ATOM 1197 CA ALA A 83 3.252 -4.932 -2.471 1.00 0.00 C ATOM 1198 C ALA A 83 4.560 -5.715 -2.518 1.00 0.00 C ATOM 1199 O ALA A 83 4.989 -6.285 -1.516 1.00 0.00 O ATOM 1200 CB ALA A 83 3.206 -4.052 -1.231 1.00 0.00 C ATOM 0 H ALA A 83 2.159 -6.606 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 83 3.207 -4.297 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.070 -3.388 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.292 -3.458 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.223 -4.679 -0.339 1.00 0.00 H new ATOM 1206 N GLU A 84 5.188 -5.739 -3.690 1.00 0.00 N ATOM 1207 CA GLU A 84 6.447 -6.454 -3.866 1.00 0.00 C ATOM 1208 C GLU A 84 7.478 -5.575 -4.569 1.00 0.00 C ATOM 1209 O GLU A 84 7.146 -4.818 -5.480 1.00 0.00 O ATOM 1210 CB GLU A 84 6.222 -7.737 -4.669 1.00 0.00 C ATOM 1211 CG GLU A 84 5.968 -7.493 -6.147 1.00 0.00 C ATOM 1212 CD GLU A 84 5.882 -8.780 -6.944 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.153 -9.698 -6.511 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.542 -8.871 -8.000 1.00 0.00 O ATOM 0 H GLU A 84 4.846 -5.272 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 84 6.829 -6.714 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.094 -8.381 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.373 -8.276 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.040 -6.934 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.767 -6.872 -6.552 1.00 0.00 H new ATOM 1221 N ASN A 85 8.731 -5.683 -4.138 1.00 0.00 N ATOM 1222 CA ASN A 85 9.811 -4.898 -4.725 1.00 0.00 C ATOM 1223 C ASN A 85 10.966 -5.797 -5.153 1.00 0.00 C ATOM 1224 O ASN A 85 10.872 -7.022 -5.082 1.00 0.00 O ATOM 1225 CB ASN A 85 10.308 -3.851 -3.726 1.00 0.00 C ATOM 1226 CG ASN A 85 11.024 -4.474 -2.543 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.184 -5.692 -2.472 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.457 -3.638 -1.607 1.00 0.00 N ATOM 0 H ASN A 85 9.023 -6.306 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 85 9.421 -4.392 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.982 -3.161 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.462 -3.265 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.945 -3.999 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.302 -2.635 -1.708 1.00 0.00 H new ATOM 1235 N ALA A 86 12.055 -5.180 -5.599 1.00 0.00 N ATOM 1236 CA ALA A 86 13.230 -5.924 -6.037 1.00 0.00 C ATOM 1237 C ALA A 86 13.891 -6.645 -4.867 1.00 0.00 C ATOM 1238 O ALA A 86 14.862 -7.381 -5.046 1.00 0.00 O ATOM 1239 CB ALA A 86 14.224 -4.991 -6.713 1.00 0.00 C ATOM 0 H ALA A 86 12.148 -4.167 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 86 12.906 -6.675 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.096 -5.560 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.755 -4.525 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.534 -4.218 -6.009 1.00 0.00 H new ATOM 1245 N LEU A 87 13.359 -6.429 -3.669 1.00 0.00 N ATOM 1246 CA LEU A 87 13.898 -7.059 -2.468 1.00 0.00 C ATOM 1247 C LEU A 87 13.009 -8.212 -2.012 1.00 0.00 C ATOM 1248 O LEU A 87 13.340 -9.380 -2.212 1.00 0.00 O ATOM 1249 CB LEU A 87 14.032 -6.029 -1.345 1.00 0.00 C ATOM 1250 CG LEU A 87 15.304 -5.179 -1.362 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.131 -3.979 -2.280 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.663 -4.729 0.046 1.00 0.00 C ATOM 0 H LEU A 87 12.556 -5.823 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 87 14.884 -7.457 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.172 -5.361 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.982 -6.553 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 87 16.121 -5.789 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.045 -3.386 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.922 -4.323 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.301 -3.367 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.570 -4.126 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.847 -4.136 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.830 -5.603 0.676 1.00 0.00 H new ATOM 1264 N GLY A 88 11.878 -7.874 -1.400 1.00 0.00 N ATOM 1265 CA GLY A 88 10.958 -8.893 -0.927 1.00 0.00 C ATOM 1266 C GLY A 88 9.595 -8.792 -1.583 1.00 0.00 C ATOM 1267 O GLY A 88 9.445 -8.145 -2.619 1.00 0.00 O ATOM 0 H GLY A 88 11.582 -6.914 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.380 -9.879 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.845 -8.803 0.153 1.00 0.00 H new ATOM 1271 N GLN A 89 8.601 -9.434 -0.978 1.00 0.00 N ATOM 1272 CA GLN A 89 7.244 -9.415 -1.512 1.00 0.00 C ATOM 1273 C GLN A 89 6.230 -9.778 -0.432 1.00 0.00 C ATOM 1274 O GLN A 89 6.402 -10.760 0.291 1.00 0.00 O ATOM 1275 CB GLN A 89 7.123 -10.384 -2.689 1.00 0.00 C ATOM 1276 CG GLN A 89 7.002 -11.840 -2.269 1.00 0.00 C ATOM 1277 CD GLN A 89 6.728 -12.764 -3.439 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.527 -13.649 -3.746 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.594 -12.563 -4.100 1.00 0.00 N ATOM 0 H GLN A 89 8.709 -9.973 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 89 7.031 -8.404 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.251 -10.113 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.996 -10.272 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.923 -12.149 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.199 -11.938 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.961 -11.818 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.356 -13.154 -4.897 1.00 0.00 H new ATOM 1288 N VAL A 90 5.171 -8.980 -0.329 1.00 0.00 N ATOM 1289 CA VAL A 90 4.129 -9.218 0.662 1.00 0.00 C ATOM 1290 C VAL A 90 2.753 -8.870 0.106 1.00 0.00 C ATOM 1291 O VAL A 90 2.628 -8.040 -0.795 1.00 0.00 O ATOM 1292 CB VAL A 90 4.375 -8.400 1.944 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.673 -8.829 2.610 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.394 -6.912 1.630 1.00 0.00 C ATOM 0 H VAL A 90 5.013 -8.164 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 90 4.161 -10.280 0.907 1.00 0.00 H new ATOM 0 HB VAL A 90 3.558 -8.591 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.830 -8.240 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.616 -9.886 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.504 -8.669 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.569 -6.349 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.191 -6.701 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.436 -6.618 1.201 1.00 0.00 H new ATOM 1304 N SER A 91 1.721 -9.509 0.649 1.00 0.00 N ATOM 1305 CA SER A 91 0.353 -9.269 0.205 1.00 0.00 C ATOM 1306 C SER A 91 -0.634 -9.478 1.350 1.00 0.00 C ATOM 1307 O SER A 91 -0.558 -10.470 2.075 1.00 0.00 O ATOM 1308 CB SER A 91 0.003 -10.195 -0.961 1.00 0.00 C ATOM 1309 OG SER A 91 -1.083 -9.681 -1.712 1.00 0.00 O ATOM 0 H SER A 91 1.807 -10.197 1.397 1.00 0.00 H new ATOM 0 HA SER A 91 0.282 -8.234 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.872 -10.315 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.250 -11.185 -0.580 1.00 0.00 H new ATOM 0 HG SER A 91 -1.286 -10.290 -2.452 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.558 -8.537 1.504 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.561 -8.617 2.561 1.00 0.00 C ATOM 1317 C CYS A 92 -3.969 -8.625 1.974 1.00 0.00 C ATOM 1318 O CYS A 92 -4.207 -8.080 0.897 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.406 -7.444 3.530 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.794 -5.833 2.806 1.00 0.00 S ATOM 0 H CYS A 92 -1.634 -7.710 0.911 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.408 -9.550 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.054 -7.609 4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.381 -7.426 3.901 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.696 -5.256 2.417 1.00 0.00 H new ATOM 1326 N SER A 93 -4.899 -9.248 2.691 1.00 0.00 N ATOM 1327 CA SER A 93 -6.283 -9.332 2.239 1.00 0.00 C ATOM 1328 C SER A 93 -7.243 -8.907 3.346 1.00 0.00 C ATOM 1329 O SER A 93 -6.957 -9.080 4.530 1.00 0.00 O ATOM 1330 CB SER A 93 -6.608 -10.757 1.786 1.00 0.00 C ATOM 1331 OG SER A 93 -8.007 -10.986 1.788 1.00 0.00 O ATOM 0 H SER A 93 -4.719 -9.702 3.587 1.00 0.00 H new ATOM 0 HA SER A 93 -6.406 -8.653 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.210 -10.923 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.118 -11.473 2.446 1.00 0.00 H new ATOM 0 HG SER A 93 -8.189 -11.903 1.493 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.383 -8.350 2.951 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.386 -7.902 3.908 1.00 0.00 C ATOM 1339 C ALA A 94 -10.794 -8.062 3.344 1.00 0.00 C ATOM 1340 O ALA A 94 -10.977 -8.180 2.132 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.134 -6.453 4.298 1.00 0.00 C ATOM 0 H ALA A 94 -8.635 -8.198 1.974 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.306 -8.526 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.891 -6.132 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.146 -6.364 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.184 -5.823 3.410 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.784 -8.066 4.229 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.176 -8.213 3.818 1.00 0.00 C ATOM 1349 C TRP A 95 -13.936 -6.903 3.992 1.00 0.00 C ATOM 1350 O TRP A 95 -13.782 -6.214 5.000 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.853 -9.321 4.626 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.234 -9.648 4.144 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.404 -9.082 4.564 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.589 -10.617 3.152 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.465 -9.641 3.894 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.992 -10.585 3.021 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.859 -11.508 2.361 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.675 -11.410 2.132 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.539 -12.327 1.479 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.935 -12.273 1.369 1.00 0.00 C ATOM 0 H TRP A 95 -11.649 -7.969 5.235 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.191 -8.482 2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.238 -10.220 4.582 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.903 -9.019 5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.483 -8.308 5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.446 -9.393 4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.783 -11.556 2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.751 -11.371 2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.985 -13.021 0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.437 -12.925 0.669 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.757 -6.564 3.003 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.542 -5.337 3.048 1.00 0.00 C ATOM 1373 C VAL A 96 -17.021 -5.621 2.809 1.00 0.00 C ATOM 1374 O VAL A 96 -17.378 -6.463 1.983 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.051 -4.318 2.003 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.078 -3.212 1.811 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.705 -3.740 2.414 1.00 0.00 C ATOM 0 H VAL A 96 -14.895 -7.122 2.161 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.413 -4.915 4.045 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.925 -4.833 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.713 -2.502 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.018 -3.644 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.239 -2.697 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.373 -3.022 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.803 -3.240 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.973 -4.544 2.495 1.00 0.00 H new ATOM 1387 N THR A 97 -17.879 -4.913 3.536 1.00 0.00 N ATOM 1388 CA THR A 97 -19.320 -5.089 3.404 1.00 0.00 C ATOM 1389 C THR A 97 -19.997 -3.788 2.989 1.00 0.00 C ATOM 1390 O THR A 97 -19.665 -2.715 3.493 1.00 0.00 O ATOM 1391 CB THR A 97 -19.948 -5.585 4.720 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.185 -5.113 5.836 1.00 0.00 O ATOM 1393 CG2 THR A 97 -20.013 -7.105 4.750 1.00 0.00 C ATOM 0 H THR A 97 -17.601 -4.212 4.223 1.00 0.00 H new ATOM 0 HA THR A 97 -19.477 -5.840 2.630 1.00 0.00 H new ATOM 0 HB THR A 97 -20.963 -5.192 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.592 -5.431 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 97 -20.460 -7.432 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 97 -20.619 -7.460 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 97 -19.006 -7.514 4.666 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.950 -3.889 2.068 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.676 -2.720 1.586 1.00 0.00 C ATOM 1403 C VAL A 98 -23.182 -2.928 1.690 1.00 0.00 C ATOM 1404 O VAL A 98 -23.780 -3.634 0.877 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.312 -2.396 0.125 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.019 -1.129 -0.332 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -19.805 -2.262 -0.031 1.00 0.00 C ATOM 0 H VAL A 98 -21.237 -4.769 1.640 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.384 -1.882 2.219 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.647 -3.219 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.750 -0.915 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.098 -1.268 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.716 -0.295 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.566 -2.033 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.443 -1.459 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.325 -3.198 0.254 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.792 -2.307 2.695 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.231 -2.423 2.904 1.00 0.00 C ATOM 1419 C HIS A 99 -26.001 -1.870 1.709 1.00 0.00 C ATOM 1420 O HIS A 99 -26.942 -2.496 1.220 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.644 -1.684 4.177 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.905 -2.137 5.399 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -25.189 -3.315 6.057 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.886 -1.563 6.081 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.378 -3.445 7.092 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.577 -2.395 7.129 1.00 0.00 N ATOM 0 H HIS A 99 -23.313 -1.719 3.377 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.473 -3.480 3.011 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.478 -0.616 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.713 -1.822 4.337 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.912 -3.982 5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.405 -0.625 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.371 -4.270 7.789 1.00 0.00 H new TER 1435 HIS A 99