USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 73 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.2) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -160:sc= -2.39! (180deg=-2.88!) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0515) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.57! K(o=-2.6!,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= 0.0844 K(o=0.084,f=-1.9!) USER MOD Single : A 36 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-0.79) USER MOD Single : A 37 CYS SG : rot 178:sc= -2.47 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 86:sc=0.000784 USER MOD Single : A 50 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.722 K(o=-0.72,f=-7!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 139:sc= -1 (180deg=-1.54) USER MOD Single : A 63 SER OG : rot -144:sc= 0.578 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -100:sc= -0.101 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.235 K(o=0.24,f=-0.58) USER MOD Single : A 89 ASN : amide:sc= -0.396 K(o=-0.4,f=-2.8!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.519 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.948 -0.566 5.302 1.00 0.00 N ATOM 67 CA LEU A 8 -6.632 -1.463 4.204 1.00 0.00 C ATOM 68 C LEU A 8 -7.763 -1.421 3.175 1.00 0.00 C ATOM 69 O LEU A 8 -7.546 -1.048 2.023 1.00 0.00 O ATOM 70 CB LEU A 8 -6.331 -2.868 4.729 1.00 0.00 C ATOM 71 CG LEU A 8 -5.144 -2.986 5.688 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.160 -4.330 6.418 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.822 -2.748 4.955 1.00 0.00 C ATOM 0 HA LEU A 8 -5.725 -1.137 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.220 -3.243 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.150 -3.522 3.876 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.238 -2.207 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.306 -4.388 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.082 -4.422 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.103 -5.140 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.995 -2.837 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.707 -3.488 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.822 -1.749 4.520 1.00 0.00 H new ATOM 85 N GLY A 9 -8.947 -1.809 3.627 1.00 0.00 N ATOM 86 CA GLY A 9 -10.113 -1.821 2.760 1.00 0.00 C ATOM 87 C GLY A 9 -10.044 -0.688 1.734 1.00 0.00 C ATOM 88 O GLY A 9 -9.809 -0.930 0.551 1.00 0.00 O ATOM 0 H GLY A 9 -9.124 -2.118 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.178 -2.779 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.018 -1.719 3.359 1.00 0.00 H new ATOM 92 N ALA A 10 -10.253 0.525 2.225 1.00 0.00 N ATOM 93 CA ALA A 10 -10.218 1.696 1.365 1.00 0.00 C ATOM 94 C ALA A 10 -8.988 1.621 0.458 1.00 0.00 C ATOM 95 O ALA A 10 -9.075 1.902 -0.736 1.00 0.00 O ATOM 96 CB ALA A 10 -10.231 2.962 2.225 1.00 0.00 C ATOM 0 H ALA A 10 -10.447 0.722 3.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.099 1.728 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.205 3.840 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.138 2.982 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.359 2.966 2.879 1.00 0.00 H new ATOM 102 N LEU A 11 -7.871 1.239 1.059 1.00 0.00 N ATOM 103 CA LEU A 11 -6.625 1.123 0.321 1.00 0.00 C ATOM 104 C LEU A 11 -6.792 0.086 -0.792 1.00 0.00 C ATOM 105 O LEU A 11 -6.536 0.377 -1.960 1.00 0.00 O ATOM 106 CB LEU A 11 -5.464 0.824 1.271 1.00 0.00 C ATOM 107 CG LEU A 11 -4.351 -0.063 0.711 1.00 0.00 C ATOM 108 CD1 LEU A 11 -4.718 -1.544 0.827 1.00 0.00 C ATOM 109 CD2 LEU A 11 -4.006 0.331 -0.726 1.00 0.00 C ATOM 0 H LEU A 11 -7.803 1.006 2.050 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.377 2.070 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.024 1.771 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.866 0.348 2.165 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.455 0.094 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.909 -2.152 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.873 -1.799 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.633 -1.737 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.212 -0.315 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.889 0.222 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.671 1.368 -0.748 1.00 0.00 H new ATOM 121 N TYR A 12 -7.220 -1.102 -0.391 1.00 0.00 N ATOM 122 CA TYR A 12 -7.424 -2.183 -1.340 1.00 0.00 C ATOM 123 C TYR A 12 -8.328 -1.739 -2.492 1.00 0.00 C ATOM 124 O TYR A 12 -8.030 -2.003 -3.656 1.00 0.00 O ATOM 125 CB TYR A 12 -8.121 -3.301 -0.562 1.00 0.00 C ATOM 126 CG TYR A 12 -8.616 -4.454 -1.437 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.751 -5.070 -2.320 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.926 -4.878 -1.345 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.217 -6.155 -3.144 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.391 -5.963 -2.169 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.513 -6.548 -3.028 1.00 0.00 C ATOM 132 OH TYR A 12 -9.953 -7.573 -3.806 1.00 0.00 O ATOM 0 H TYR A 12 -7.431 -1.340 0.578 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.474 -2.501 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.431 -3.695 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.968 -2.879 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.726 -4.738 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.602 -4.396 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.552 -6.646 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.414 -6.305 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.899 -7.746 -3.615 1.00 0.00 H new ATOM 142 N LEU A 13 -9.413 -1.073 -2.127 1.00 0.00 N ATOM 143 CA LEU A 13 -10.362 -0.590 -3.115 1.00 0.00 C ATOM 144 C LEU A 13 -9.611 0.174 -4.207 1.00 0.00 C ATOM 145 O LEU A 13 -9.901 0.017 -5.392 1.00 0.00 O ATOM 146 CB LEU A 13 -11.467 0.228 -2.442 1.00 0.00 C ATOM 147 CG LEU A 13 -12.607 -0.576 -1.813 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.530 0.330 -0.995 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.374 -1.365 -2.877 1.00 0.00 C ATOM 0 H LEU A 13 -9.656 -0.856 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.866 -1.427 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.014 0.846 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.892 0.906 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.174 -1.301 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.332 -0.266 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.959 0.808 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.958 1.094 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.179 -1.928 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.795 -0.675 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.695 -2.055 -3.378 1.00 0.00 H new ATOM 161 N SER A 14 -8.658 0.984 -3.769 1.00 0.00 N ATOM 162 CA SER A 14 -7.863 1.773 -4.695 1.00 0.00 C ATOM 163 C SER A 14 -7.074 0.849 -5.625 1.00 0.00 C ATOM 164 O SER A 14 -7.206 0.932 -6.845 1.00 0.00 O ATOM 165 CB SER A 14 -6.912 2.708 -3.945 1.00 0.00 C ATOM 166 OG SER A 14 -7.064 4.064 -4.355 1.00 0.00 O ATOM 0 H SER A 14 -8.419 1.111 -2.786 1.00 0.00 H new ATOM 0 HA SER A 14 -8.539 2.387 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.097 2.630 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.883 2.391 -4.115 1.00 0.00 H new ATOM 0 HG SER A 14 -6.441 4.630 -3.852 1.00 0.00 H new ATOM 172 N MET A 15 -6.272 -0.010 -5.014 1.00 0.00 N ATOM 173 CA MET A 15 -5.462 -0.948 -5.772 1.00 0.00 C ATOM 174 C MET A 15 -6.224 -1.467 -6.994 1.00 0.00 C ATOM 175 O MET A 15 -5.652 -1.603 -8.074 1.00 0.00 O ATOM 176 CB MET A 15 -5.071 -2.125 -4.877 1.00 0.00 C ATOM 177 CG MET A 15 -4.004 -1.710 -3.862 1.00 0.00 C ATOM 178 SD MET A 15 -2.400 -1.669 -4.644 1.00 0.00 S ATOM 179 CE MET A 15 -1.521 -2.830 -3.612 1.00 0.00 C ATOM 0 H MET A 15 -6.166 -0.076 -4.002 1.00 0.00 H new ATOM 0 HA MET A 15 -4.567 -0.430 -6.117 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.952 -2.497 -4.353 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.696 -2.944 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.243 -0.729 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.993 -2.410 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.448 -2.670 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.809 -2.683 -2.571 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.768 -3.847 -3.916 1.00 0.00 H new ATOM 189 N LYS A 16 -7.503 -1.741 -6.781 1.00 0.00 N ATOM 190 CA LYS A 16 -8.349 -2.242 -7.851 1.00 0.00 C ATOM 191 C LYS A 16 -8.241 -1.309 -9.059 1.00 0.00 C ATOM 192 O LYS A 16 -8.013 -1.763 -10.180 1.00 0.00 O ATOM 193 CB LYS A 16 -9.782 -2.440 -7.353 1.00 0.00 C ATOM 194 CG LYS A 16 -9.837 -3.501 -6.252 1.00 0.00 C ATOM 195 CD LYS A 16 -11.079 -4.383 -6.402 1.00 0.00 C ATOM 196 CE LYS A 16 -12.324 -3.673 -5.868 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.032 -2.973 -6.963 1.00 0.00 N ATOM 0 H LYS A 16 -7.974 -1.626 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.010 -3.226 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.173 -1.496 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.422 -2.739 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.940 -4.119 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.846 -3.017 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.224 -4.638 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.931 -5.319 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.991 -4.398 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.039 -2.958 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.950 -2.626 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.459 -2.169 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.186 -3.631 -7.753 1.00 0.00 H new ATOM 211 N ASP A 17 -8.411 -0.023 -8.791 1.00 0.00 N ATOM 212 CA ASP A 17 -8.336 0.977 -9.842 1.00 0.00 C ATOM 213 C ASP A 17 -7.056 0.763 -10.653 1.00 0.00 C ATOM 214 O ASP A 17 -5.954 0.838 -10.112 1.00 0.00 O ATOM 215 CB ASP A 17 -8.293 2.390 -9.256 1.00 0.00 C ATOM 216 CG ASP A 17 -8.997 3.459 -10.093 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.412 3.846 -11.128 1.00 0.00 O ATOM 218 OD2 ASP A 17 -10.105 3.865 -9.681 1.00 0.00 O ATOM 0 H ASP A 17 -8.601 0.350 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.221 0.873 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.746 2.370 -8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.251 2.681 -9.125 1.00 0.00 H new ATOM 223 N PRO A 18 -7.250 0.494 -11.972 1.00 0.00 N ATOM 224 CA PRO A 18 -6.125 0.269 -12.863 1.00 0.00 C ATOM 225 C PRO A 18 -5.420 1.584 -13.200 1.00 0.00 C ATOM 226 O PRO A 18 -4.380 1.585 -13.856 1.00 0.00 O ATOM 227 CB PRO A 18 -6.720 -0.416 -14.083 1.00 0.00 C ATOM 228 CG PRO A 18 -8.212 -0.130 -14.034 1.00 0.00 C ATOM 229 CD PRO A 18 -8.541 0.397 -12.647 1.00 0.00 C ATOM 0 HA PRO A 18 -5.350 -0.351 -12.413 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.278 -0.030 -15.002 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.527 -1.489 -14.062 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.486 0.601 -14.795 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.781 -1.036 -14.243 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.035 1.367 -12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.215 -0.276 -12.117 1.00 0.00 H new ATOM 237 N GLU A 19 -6.015 2.673 -12.735 1.00 0.00 N ATOM 238 CA GLU A 19 -5.457 3.992 -12.978 1.00 0.00 C ATOM 239 C GLU A 19 -5.040 4.644 -11.658 1.00 0.00 C ATOM 240 O GLU A 19 -3.897 5.074 -11.508 1.00 0.00 O ATOM 241 CB GLU A 19 -6.449 4.876 -13.736 1.00 0.00 C ATOM 242 CG GLU A 19 -6.254 4.748 -15.248 1.00 0.00 C ATOM 243 CD GLU A 19 -6.663 6.036 -15.965 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.855 6.393 -15.855 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.773 6.635 -16.608 1.00 0.00 O ATOM 0 H GLU A 19 -6.878 2.668 -12.191 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.570 3.880 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.468 4.594 -13.472 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.318 5.916 -13.436 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.210 4.522 -15.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.846 3.914 -15.625 1.00 0.00 H new ATOM 252 N LYS A 20 -5.989 4.697 -10.735 1.00 0.00 N ATOM 253 CA LYS A 20 -5.734 5.290 -9.433 1.00 0.00 C ATOM 254 C LYS A 20 -5.301 4.195 -8.456 1.00 0.00 C ATOM 255 O LYS A 20 -5.257 4.419 -7.247 1.00 0.00 O ATOM 256 CB LYS A 20 -6.950 6.089 -8.961 1.00 0.00 C ATOM 257 CG LYS A 20 -7.088 7.394 -9.748 1.00 0.00 C ATOM 258 CD LYS A 20 -7.436 8.560 -8.821 1.00 0.00 C ATOM 259 CE LYS A 20 -8.115 9.692 -9.594 1.00 0.00 C ATOM 260 NZ LYS A 20 -9.480 9.929 -9.073 1.00 0.00 N ATOM 0 H LYS A 20 -6.936 4.339 -10.863 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.915 6.007 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.853 5.490 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.854 6.310 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.156 7.607 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.863 7.285 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.095 8.212 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.530 8.933 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.524 10.604 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.162 9.440 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.927 10.700 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.046 9.063 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.427 10.191 -8.068 1.00 0.00 H new ATOM 274 N GLY A 21 -4.992 3.035 -9.016 1.00 0.00 N ATOM 275 CA GLY A 21 -4.563 1.905 -8.209 1.00 0.00 C ATOM 276 C GLY A 21 -3.432 1.138 -8.896 1.00 0.00 C ATOM 277 O GLY A 21 -2.702 1.700 -9.711 1.00 0.00 O ATOM 0 H GLY A 21 -5.030 2.853 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.228 2.257 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.407 1.237 -8.035 1.00 0.00 H new ATOM 281 N ILE A 22 -3.323 -0.135 -8.543 1.00 0.00 N ATOM 282 CA ILE A 22 -2.293 -0.985 -9.116 1.00 0.00 C ATOM 283 C ILE A 22 -2.648 -1.299 -10.571 1.00 0.00 C ATOM 284 O ILE A 22 -3.807 -1.190 -10.968 1.00 0.00 O ATOM 285 CB ILE A 22 -2.084 -2.230 -8.251 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.701 -2.217 -7.597 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.323 -3.506 -9.061 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.620 -3.244 -6.466 1.00 0.00 C ATOM 0 H ILE A 22 -3.931 -0.598 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.334 -0.468 -9.126 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.820 -2.216 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.061 -2.434 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.489 -1.222 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.168 -4.376 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.345 -3.511 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.626 -3.541 -9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.373 -3.214 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.367 -3.010 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.808 -4.241 -6.865 1.00 0.00 H new ATOM 300 N LYS A 23 -1.629 -1.683 -11.325 1.00 0.00 N ATOM 301 CA LYS A 23 -1.820 -2.014 -12.727 1.00 0.00 C ATOM 302 C LYS A 23 -2.271 -3.471 -12.846 1.00 0.00 C ATOM 303 O LYS A 23 -2.488 -4.142 -11.838 1.00 0.00 O ATOM 304 CB LYS A 23 -0.557 -1.694 -13.529 1.00 0.00 C ATOM 305 CG LYS A 23 -0.734 -0.410 -14.342 1.00 0.00 C ATOM 306 CD LYS A 23 -0.850 -0.719 -15.836 1.00 0.00 C ATOM 307 CE LYS A 23 -0.786 0.564 -16.668 1.00 0.00 C ATOM 308 NZ LYS A 23 -2.100 1.245 -16.673 1.00 0.00 N ATOM 0 H LYS A 23 -0.669 -1.772 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.609 -1.399 -13.160 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.290 -1.586 -12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.327 -2.523 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.627 0.118 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.113 0.254 -14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.046 -1.391 -16.135 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.789 -1.237 -16.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.026 1.231 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.489 0.327 -17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.039 2.113 -17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.817 0.613 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.369 1.488 -15.698 1.00 0.00 H new ATOM 322 N GLU A 24 -2.399 -3.918 -14.087 1.00 0.00 N ATOM 323 CA GLU A 24 -2.821 -5.283 -14.351 1.00 0.00 C ATOM 324 C GLU A 24 -2.204 -5.786 -15.657 1.00 0.00 C ATOM 325 O GLU A 24 -2.649 -5.414 -16.742 1.00 0.00 O ATOM 326 CB GLU A 24 -4.347 -5.388 -14.389 1.00 0.00 C ATOM 327 CG GLU A 24 -4.954 -5.062 -13.023 1.00 0.00 C ATOM 328 CD GLU A 24 -6.356 -5.659 -12.889 1.00 0.00 C ATOM 329 OE1 GLU A 24 -7.144 -5.477 -13.843 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.608 -6.284 -11.837 1.00 0.00 O ATOM 0 H GLU A 24 -2.218 -3.359 -14.921 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.467 -5.916 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.743 -4.704 -15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.638 -6.394 -14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.312 -5.452 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.001 -3.981 -12.891 1.00 0.00 H new ATOM 337 N LEU A 25 -1.189 -6.625 -15.511 1.00 0.00 N ATOM 338 CA LEU A 25 -0.506 -7.183 -16.665 1.00 0.00 C ATOM 339 C LEU A 25 -0.761 -8.690 -16.724 1.00 0.00 C ATOM 340 O LEU A 25 -1.222 -9.284 -15.751 1.00 0.00 O ATOM 341 CB LEU A 25 0.978 -6.811 -16.642 1.00 0.00 C ATOM 342 CG LEU A 25 1.296 -5.315 -16.694 1.00 0.00 C ATOM 343 CD1 LEU A 25 0.829 -4.701 -18.015 1.00 0.00 C ATOM 344 CD2 LEU A 25 0.707 -4.587 -15.484 1.00 0.00 C ATOM 0 H LEU A 25 -0.823 -6.932 -14.610 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.904 -6.756 -17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.422 -7.225 -15.737 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.467 -7.296 -17.487 1.00 0.00 H new ATOM 0 HG LEU A 25 2.378 -5.194 -16.647 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.067 -3.637 -18.026 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.335 -5.195 -18.845 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.248 -4.833 -18.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.947 -3.526 -15.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.376 -4.714 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.129 -5.002 -14.569 1.00 0.00 H new ATOM 356 N ASN A 26 -0.450 -9.266 -17.876 1.00 0.00 N ATOM 357 CA ASN A 26 -0.640 -10.693 -18.075 1.00 0.00 C ATOM 358 C ASN A 26 0.679 -11.420 -17.809 1.00 0.00 C ATOM 359 O ASN A 26 1.493 -11.588 -18.716 1.00 0.00 O ATOM 360 CB ASN A 26 -1.067 -10.997 -19.512 1.00 0.00 C ATOM 361 CG ASN A 26 -0.168 -10.273 -20.516 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.746 -10.840 -21.092 1.00 0.00 O ATOM 363 ND2 ASN A 26 -0.477 -8.991 -20.693 1.00 0.00 N ATOM 0 H ASN A 26 -0.068 -8.770 -18.681 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.418 -11.029 -17.390 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.023 -12.072 -19.688 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.103 -10.692 -19.660 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.064 -8.421 -21.343 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.255 -8.578 -20.179 1.00 0.00 H new ATOM 370 N LEU A 27 0.850 -11.834 -16.562 1.00 0.00 N ATOM 371 CA LEU A 27 2.056 -12.540 -16.166 1.00 0.00 C ATOM 372 C LEU A 27 1.950 -14.004 -16.597 1.00 0.00 C ATOM 373 O LEU A 27 1.205 -14.779 -15.999 1.00 0.00 O ATOM 374 CB LEU A 27 2.318 -12.357 -14.670 1.00 0.00 C ATOM 375 CG LEU A 27 2.563 -10.921 -14.202 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.228 -10.762 -12.718 1.00 0.00 C ATOM 377 CD2 LEU A 27 3.993 -10.478 -14.518 1.00 0.00 C ATOM 0 H LEU A 27 0.173 -11.694 -15.812 1.00 0.00 H new ATOM 0 HA LEU A 27 2.926 -12.121 -16.672 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.466 -12.756 -14.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.184 -12.960 -14.397 1.00 0.00 H new ATOM 0 HG LEU A 27 1.892 -10.263 -14.755 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.411 -9.732 -12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.179 -11.008 -12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.855 -11.432 -12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.141 -9.454 -14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.698 -11.136 -14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.160 -10.528 -15.594 1.00 0.00 H new ATOM 482 N VAL A 33 -0.778 -18.031 -17.478 1.00 0.00 N ATOM 483 CA VAL A 33 -0.883 -16.585 -17.578 1.00 0.00 C ATOM 484 C VAL A 33 -1.973 -16.091 -16.624 1.00 0.00 C ATOM 485 O VAL A 33 -3.153 -16.371 -16.826 1.00 0.00 O ATOM 486 CB VAL A 33 -1.132 -16.178 -19.032 1.00 0.00 C ATOM 487 CG1 VAL A 33 -2.205 -17.060 -19.673 1.00 0.00 C ATOM 488 CG2 VAL A 33 -1.508 -14.698 -19.129 1.00 0.00 C ATOM 0 HA VAL A 33 0.052 -16.112 -17.278 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.204 -16.325 -19.585 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.362 -16.749 -20.706 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.881 -18.100 -19.653 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.138 -16.960 -19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.680 -14.434 -20.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.416 -14.515 -18.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.697 -14.090 -18.730 1.00 0.00 H new ATOM 498 N PHE A 34 -1.537 -15.365 -15.605 1.00 0.00 N ATOM 499 CA PHE A 34 -2.461 -14.830 -14.619 1.00 0.00 C ATOM 500 C PHE A 34 -2.923 -13.424 -15.008 1.00 0.00 C ATOM 501 O PHE A 34 -2.189 -12.453 -14.825 1.00 0.00 O ATOM 502 CB PHE A 34 -1.705 -14.757 -13.291 1.00 0.00 C ATOM 503 CG PHE A 34 -0.917 -16.024 -12.953 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.511 -17.027 -12.253 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.377 -16.147 -13.352 1.00 0.00 C ATOM 506 CE1 PHE A 34 -0.780 -18.203 -11.939 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.108 -17.323 -13.038 1.00 0.00 C ATOM 508 CZ PHE A 34 0.514 -18.327 -12.338 1.00 0.00 C ATOM 0 H PHE A 34 -0.557 -15.135 -15.441 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.343 -15.467 -14.550 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.018 -13.912 -13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.417 -14.560 -12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.539 -16.929 -11.936 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.849 -15.350 -13.908 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.252 -19.000 -11.383 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.136 -17.421 -13.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.070 -19.222 -12.099 1.00 0.00 H new ATOM 518 N ASN A 35 -4.136 -13.359 -15.536 1.00 0.00 N ATOM 519 CA ASN A 35 -4.704 -12.088 -15.951 1.00 0.00 C ATOM 520 C ASN A 35 -5.136 -11.298 -14.714 1.00 0.00 C ATOM 521 O ASN A 35 -5.877 -11.807 -13.875 1.00 0.00 O ATOM 522 CB ASN A 35 -5.938 -12.298 -16.832 1.00 0.00 C ATOM 523 CG ASN A 35 -5.666 -13.343 -17.916 1.00 0.00 C ATOM 524 OD1 ASN A 35 -5.575 -14.532 -17.659 1.00 0.00 O ATOM 525 ND2 ASN A 35 -5.543 -12.835 -19.139 1.00 0.00 N ATOM 0 H ASN A 35 -4.741 -14.166 -15.686 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.944 -11.548 -16.516 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.779 -12.618 -16.216 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.223 -11.354 -17.296 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.361 -13.451 -19.931 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.630 -11.829 -19.285 1.00 0.00 H new ATOM 532 N HIS A 36 -4.653 -10.066 -14.640 1.00 0.00 N ATOM 533 CA HIS A 36 -4.979 -9.201 -13.519 1.00 0.00 C ATOM 534 C HIS A 36 -4.165 -9.620 -12.293 1.00 0.00 C ATOM 535 O HIS A 36 -4.664 -9.584 -11.170 1.00 0.00 O ATOM 536 CB HIS A 36 -6.487 -9.197 -13.256 1.00 0.00 C ATOM 537 CG HIS A 36 -7.327 -9.045 -14.502 1.00 0.00 C ATOM 538 ND1 HIS A 36 -7.211 -7.962 -15.356 1.00 0.00 N ATOM 539 CD2 HIS A 36 -8.294 -9.849 -15.028 1.00 0.00 C ATOM 540 CE1 HIS A 36 -8.076 -8.117 -16.348 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.746 -9.287 -16.143 1.00 0.00 N ATOM 0 H HIS A 36 -4.039 -9.647 -15.338 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.708 -8.173 -13.758 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.761 -10.126 -12.757 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.724 -8.384 -12.569 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.569 -7.178 -15.241 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.635 -10.784 -14.609 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.224 -7.437 -17.173 1.00 0.00 H new ATOM 549 N CYS A 37 -2.925 -10.008 -12.551 1.00 0.00 N ATOM 550 CA CYS A 37 -2.036 -10.433 -11.482 1.00 0.00 C ATOM 551 C CYS A 37 -1.065 -9.290 -11.182 1.00 0.00 C ATOM 552 O CYS A 37 -1.032 -8.292 -11.902 1.00 0.00 O ATOM 553 CB CYS A 37 -1.302 -11.727 -11.839 1.00 0.00 C ATOM 554 SG CYS A 37 -1.055 -12.740 -10.335 1.00 0.00 S ATOM 0 H CYS A 37 -2.514 -10.037 -13.484 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.618 -10.657 -10.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.876 -12.289 -12.576 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.339 -11.495 -12.294 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.470 -13.856 -10.655 1.00 0.00 H new ATOM 560 N LEU A 38 -0.296 -9.473 -10.118 1.00 0.00 N ATOM 561 CA LEU A 38 0.674 -8.469 -9.714 1.00 0.00 C ATOM 562 C LEU A 38 1.964 -9.162 -9.271 1.00 0.00 C ATOM 563 O LEU A 38 2.256 -10.275 -9.707 1.00 0.00 O ATOM 564 CB LEU A 38 0.076 -7.544 -8.652 1.00 0.00 C ATOM 565 CG LEU A 38 -1.447 -7.403 -8.666 1.00 0.00 C ATOM 566 CD1 LEU A 38 -1.934 -6.606 -7.454 1.00 0.00 C ATOM 567 CD2 LEU A 38 -1.929 -6.793 -9.984 1.00 0.00 C ATOM 0 H LEU A 38 -0.325 -10.301 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 38 0.931 -7.826 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.378 -7.908 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.514 -6.553 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.883 -8.399 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.020 -6.520 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.639 -7.119 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.491 -5.610 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.015 -6.704 -9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.486 -5.805 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.630 -7.435 -10.813 1.00 0.00 H new ATOM 579 N THR A 39 2.701 -8.476 -8.410 1.00 0.00 N ATOM 580 CA THR A 39 3.952 -9.012 -7.903 1.00 0.00 C ATOM 581 C THR A 39 4.326 -8.336 -6.582 1.00 0.00 C ATOM 582 O THR A 39 4.159 -7.127 -6.431 1.00 0.00 O ATOM 583 CB THR A 39 5.014 -8.845 -8.992 1.00 0.00 C ATOM 584 OG1 THR A 39 4.830 -7.510 -9.454 1.00 0.00 O ATOM 585 CG2 THR A 39 4.729 -9.708 -10.223 1.00 0.00 C ATOM 0 H THR A 39 2.455 -7.553 -8.051 1.00 0.00 H new ATOM 0 HA THR A 39 3.863 -10.074 -7.675 1.00 0.00 H new ATOM 0 HB THR A 39 5.993 -9.101 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.480 -7.316 -10.162 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.512 -9.553 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.707 -10.759 -9.934 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.765 -9.428 -10.648 1.00 0.00 H new ATOM 593 N GLY A 40 4.824 -9.146 -5.659 1.00 0.00 N ATOM 594 CA GLY A 40 5.222 -8.641 -4.356 1.00 0.00 C ATOM 595 C GLY A 40 6.184 -7.460 -4.497 1.00 0.00 C ATOM 596 O GLY A 40 6.227 -6.584 -3.635 1.00 0.00 O ATOM 0 H GLY A 40 4.961 -10.149 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.339 -8.331 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.699 -9.437 -3.784 1.00 0.00 H new ATOM 600 N SER A 41 6.933 -7.475 -5.590 1.00 0.00 N ATOM 601 CA SER A 41 7.892 -6.415 -5.855 1.00 0.00 C ATOM 602 C SER A 41 7.177 -5.198 -6.445 1.00 0.00 C ATOM 603 O SER A 41 7.447 -4.064 -6.051 1.00 0.00 O ATOM 604 CB SER A 41 8.994 -6.894 -6.801 1.00 0.00 C ATOM 605 OG SER A 41 9.777 -5.813 -7.300 1.00 0.00 O ATOM 0 H SER A 41 6.895 -8.204 -6.302 1.00 0.00 H new ATOM 0 HA SER A 41 8.359 -6.132 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.640 -7.598 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.546 -7.433 -7.636 1.00 0.00 H new ATOM 0 HG SER A 41 10.470 -6.161 -7.899 1.00 0.00 H new ATOM 611 N GLY A 42 6.280 -5.474 -7.380 1.00 0.00 N ATOM 612 CA GLY A 42 5.525 -4.416 -8.029 1.00 0.00 C ATOM 613 C GLY A 42 4.499 -3.808 -7.070 1.00 0.00 C ATOM 614 O GLY A 42 4.434 -2.590 -6.916 1.00 0.00 O ATOM 0 H GLY A 42 6.059 -6.416 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.206 -3.640 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.016 -4.813 -8.907 1.00 0.00 H new ATOM 618 N VAL A 43 3.722 -4.686 -6.452 1.00 0.00 N ATOM 619 CA VAL A 43 2.702 -4.251 -5.513 1.00 0.00 C ATOM 620 C VAL A 43 3.278 -3.157 -4.611 1.00 0.00 C ATOM 621 O VAL A 43 2.720 -2.065 -4.520 1.00 0.00 O ATOM 622 CB VAL A 43 2.166 -5.451 -4.730 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.682 -6.552 -5.676 1.00 0.00 C ATOM 624 CG2 VAL A 43 3.220 -5.987 -3.759 1.00 0.00 C ATOM 0 H VAL A 43 3.778 -5.696 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 43 1.853 -3.821 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 43 1.311 -5.113 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.306 -7.393 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.884 -6.163 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.511 -6.885 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.813 -6.840 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.103 -6.300 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.496 -5.204 -3.053 1.00 0.00 H new ATOM 634 N ILE A 44 4.387 -3.489 -3.967 1.00 0.00 N ATOM 635 CA ILE A 44 5.045 -2.549 -3.075 1.00 0.00 C ATOM 636 C ILE A 44 5.388 -1.275 -3.848 1.00 0.00 C ATOM 637 O ILE A 44 5.158 -0.168 -3.362 1.00 0.00 O ATOM 638 CB ILE A 44 6.252 -3.204 -2.402 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.840 -4.472 -1.650 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.980 -2.210 -1.494 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.067 -5.228 -1.137 1.00 0.00 C ATOM 0 H ILE A 44 4.847 -4.396 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 44 4.376 -2.260 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 44 6.955 -3.505 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.194 -4.209 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.260 -5.118 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.834 -2.701 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.327 -1.363 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.298 -1.857 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.746 -6.125 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.698 -5.511 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.632 -4.588 -0.459 1.00 0.00 H new ATOM 653 N ASP A 45 5.933 -1.472 -5.040 1.00 0.00 N ATOM 654 CA ASP A 45 6.311 -0.352 -5.885 1.00 0.00 C ATOM 655 C ASP A 45 5.161 0.657 -5.931 1.00 0.00 C ATOM 656 O ASP A 45 5.389 1.865 -5.882 1.00 0.00 O ATOM 657 CB ASP A 45 6.593 -0.813 -7.316 1.00 0.00 C ATOM 658 CG ASP A 45 7.529 0.096 -8.116 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.089 1.023 -7.492 1.00 0.00 O ATOM 660 OD2 ASP A 45 7.664 -0.158 -9.332 1.00 0.00 O ATOM 0 H ASP A 45 6.122 -2.391 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 45 7.212 0.098 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.025 -1.813 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.646 -0.893 -7.849 1.00 0.00 H new ATOM 665 N TRP A 46 3.952 0.124 -6.024 1.00 0.00 N ATOM 666 CA TRP A 46 2.767 0.963 -6.077 1.00 0.00 C ATOM 667 C TRP A 46 2.573 1.596 -4.698 1.00 0.00 C ATOM 668 O TRP A 46 2.144 2.744 -4.592 1.00 0.00 O ATOM 669 CB TRP A 46 1.549 0.162 -6.543 1.00 0.00 C ATOM 670 CG TRP A 46 0.242 0.958 -6.538 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.304 1.655 -7.544 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.667 1.111 -5.427 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.493 2.243 -7.165 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.721 1.902 -5.837 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.600 0.597 -4.120 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.788 2.250 -5.000 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.674 0.955 -3.296 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.743 1.750 -3.693 1.00 0.00 C ATOM 0 H TRP A 46 3.767 -0.878 -6.064 1.00 0.00 H new ATOM 0 HA TRP A 46 2.891 1.759 -6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.734 -0.207 -7.552 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.433 -0.711 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.132 1.745 -8.528 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.094 2.822 -7.752 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.215 -0.024 -3.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.602 2.871 -5.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.672 0.588 -2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.535 1.981 -2.996 1.00 0.00 H new ATOM 689 N LEU A 47 2.900 0.820 -3.675 1.00 0.00 N ATOM 690 CA LEU A 47 2.768 1.290 -2.306 1.00 0.00 C ATOM 691 C LEU A 47 3.678 2.502 -2.098 1.00 0.00 C ATOM 692 O LEU A 47 3.239 3.533 -1.590 1.00 0.00 O ATOM 693 CB LEU A 47 3.027 0.149 -1.320 1.00 0.00 C ATOM 694 CG LEU A 47 2.048 -1.025 -1.381 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.486 -2.153 -0.444 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.618 -0.563 -1.093 1.00 0.00 C ATOM 0 H LEU A 47 3.256 -0.131 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 47 1.747 1.620 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.033 -0.233 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.011 0.558 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 47 2.058 -1.426 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.773 -2.975 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.474 -2.507 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.523 -1.782 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.057 -1.417 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.572 -0.121 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.319 0.179 -1.833 1.00 0.00 H new ATOM 708 N VAL A 48 4.930 2.338 -2.501 1.00 0.00 N ATOM 709 CA VAL A 48 5.906 3.406 -2.365 1.00 0.00 C ATOM 710 C VAL A 48 5.582 4.517 -3.365 1.00 0.00 C ATOM 711 O VAL A 48 5.583 5.695 -3.012 1.00 0.00 O ATOM 712 CB VAL A 48 7.320 2.846 -2.529 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.350 3.974 -2.615 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.661 1.877 -1.396 1.00 0.00 C ATOM 0 H VAL A 48 5.291 1.482 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 48 5.858 3.843 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 48 7.353 2.290 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.347 3.548 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.124 4.608 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.314 4.570 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.672 1.494 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.601 2.398 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.954 1.047 -1.402 1.00 0.00 H new ATOM 724 N SER A 49 5.314 4.102 -4.595 1.00 0.00 N ATOM 725 CA SER A 49 4.989 5.048 -5.649 1.00 0.00 C ATOM 726 C SER A 49 4.025 6.111 -5.120 1.00 0.00 C ATOM 727 O SER A 49 4.252 7.306 -5.302 1.00 0.00 O ATOM 728 CB SER A 49 4.382 4.336 -6.860 1.00 0.00 C ATOM 729 OG SER A 49 5.341 4.131 -7.894 1.00 0.00 O ATOM 0 H SER A 49 5.315 3.124 -4.885 1.00 0.00 H new ATOM 0 HA SER A 49 5.911 5.532 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.974 3.375 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.551 4.925 -7.248 1.00 0.00 H new ATOM 0 HG SER A 49 5.832 3.300 -7.725 1.00 0.00 H new ATOM 735 N ASN A 50 2.968 5.638 -4.476 1.00 0.00 N ATOM 736 CA ASN A 50 1.968 6.533 -3.919 1.00 0.00 C ATOM 737 C ASN A 50 2.489 7.119 -2.605 1.00 0.00 C ATOM 738 O ASN A 50 2.058 8.192 -2.186 1.00 0.00 O ATOM 739 CB ASN A 50 0.666 5.787 -3.621 1.00 0.00 C ATOM 740 CG ASN A 50 -0.258 5.787 -4.841 1.00 0.00 C ATOM 741 OD1 ASN A 50 -1.038 6.699 -5.060 1.00 0.00 O ATOM 742 ND2 ASN A 50 -0.127 4.717 -5.619 1.00 0.00 N ATOM 0 H ASN A 50 2.782 4.646 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 50 1.774 7.318 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.889 4.761 -3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.160 6.255 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.700 4.623 -6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.546 3.990 -5.377 1.00 0.00 H new ATOM 749 N LYS A 51 3.409 6.388 -1.992 1.00 0.00 N ATOM 750 CA LYS A 51 3.993 6.822 -0.735 1.00 0.00 C ATOM 751 C LYS A 51 3.108 6.353 0.422 1.00 0.00 C ATOM 752 O LYS A 51 2.844 7.112 1.353 1.00 0.00 O ATOM 753 CB LYS A 51 4.236 8.332 -0.749 1.00 0.00 C ATOM 754 CG LYS A 51 4.866 8.773 -2.072 1.00 0.00 C ATOM 755 CD LYS A 51 6.369 9.013 -1.911 1.00 0.00 C ATOM 756 CE LYS A 51 7.085 8.931 -3.260 1.00 0.00 C ATOM 757 NZ LYS A 51 8.458 8.406 -3.087 1.00 0.00 N ATOM 0 H LYS A 51 3.764 5.498 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 51 4.973 6.366 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.293 8.857 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.890 8.607 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.695 8.011 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.384 9.686 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.539 9.993 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.788 8.274 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.525 8.286 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.122 9.919 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.930 8.357 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.994 9.037 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.416 7.455 -2.669 1.00 0.00 H new ATOM 771 N LEU A 52 2.676 5.104 0.326 1.00 0.00 N ATOM 772 CA LEU A 52 1.827 4.525 1.353 1.00 0.00 C ATOM 773 C LEU A 52 2.665 4.238 2.600 1.00 0.00 C ATOM 774 O LEU A 52 2.171 4.342 3.722 1.00 0.00 O ATOM 775 CB LEU A 52 1.092 3.297 0.810 1.00 0.00 C ATOM 776 CG LEU A 52 -0.306 3.550 0.242 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.922 2.256 -0.295 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.206 4.226 1.278 1.00 0.00 C ATOM 0 H LEU A 52 2.898 4.477 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 52 1.049 5.230 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.704 2.848 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.010 2.563 1.612 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.213 4.236 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.915 2.464 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.291 1.854 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.999 1.528 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.193 4.394 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.297 3.585 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.770 5.181 1.570 1.00 0.00 H new ATOM 790 N VAL A 53 3.919 3.883 2.362 1.00 0.00 N ATOM 791 CA VAL A 53 4.831 3.581 3.452 1.00 0.00 C ATOM 792 C VAL A 53 5.995 4.573 3.428 1.00 0.00 C ATOM 793 O VAL A 53 5.981 5.533 2.659 1.00 0.00 O ATOM 794 CB VAL A 53 5.287 2.123 3.364 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.249 1.186 3.986 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.585 1.728 1.916 1.00 0.00 C ATOM 0 H VAL A 53 4.325 3.798 1.430 1.00 0.00 H new ATOM 0 HA VAL A 53 4.328 3.693 4.412 1.00 0.00 H new ATOM 0 HB VAL A 53 6.211 2.026 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.597 0.156 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.107 1.445 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.302 1.289 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.907 0.687 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.685 1.849 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.376 2.366 1.520 1.00 0.00 H new ATOM 806 N ARG A 54 6.976 4.308 4.279 1.00 0.00 N ATOM 807 CA ARG A 54 8.145 5.166 4.364 1.00 0.00 C ATOM 808 C ARG A 54 9.318 4.541 3.606 1.00 0.00 C ATOM 809 O ARG A 54 10.204 5.251 3.133 1.00 0.00 O ATOM 810 CB ARG A 54 8.553 5.396 5.821 1.00 0.00 C ATOM 811 CG ARG A 54 7.629 6.412 6.495 1.00 0.00 C ATOM 812 CD ARG A 54 8.224 7.820 6.436 1.00 0.00 C ATOM 813 NE ARG A 54 7.186 8.823 6.761 1.00 0.00 N ATOM 814 CZ ARG A 54 6.745 9.073 8.001 1.00 0.00 C ATOM 815 NH1 ARG A 54 7.250 8.396 9.041 1.00 0.00 N ATOM 816 NH2 ARG A 54 5.800 10.001 8.202 1.00 0.00 N ATOM 0 H ARG A 54 6.985 3.511 4.916 1.00 0.00 H new ATOM 0 HA ARG A 54 7.887 6.125 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.520 4.452 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.582 5.752 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.655 6.404 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.465 6.126 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.054 7.903 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.628 8.012 5.442 1.00 0.00 H new ATOM 0 HE ARG A 54 6.781 9.358 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.970 7.690 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.914 8.586 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.416 10.518 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.464 10.191 9.146 1.00 0.00 H new ATOM 830 N ASN A 55 9.286 3.220 3.514 1.00 0.00 N ATOM 831 CA ASN A 55 10.335 2.492 2.821 1.00 0.00 C ATOM 832 C ASN A 55 9.741 1.238 2.177 1.00 0.00 C ATOM 833 O ASN A 55 8.575 0.914 2.401 1.00 0.00 O ATOM 834 CB ASN A 55 11.432 2.050 3.792 1.00 0.00 C ATOM 835 CG ASN A 55 10.830 1.518 5.094 1.00 0.00 C ATOM 836 OD1 ASN A 55 10.725 0.323 5.316 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.442 2.468 5.939 1.00 0.00 N ATOM 0 H ASN A 55 8.550 2.635 3.908 1.00 0.00 H new ATOM 0 HA ASN A 55 10.764 3.154 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.044 1.277 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.091 2.891 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.028 2.215 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.559 3.450 5.691 1.00 0.00 H new ATOM 844 N ARG A 56 10.568 0.567 1.390 1.00 0.00 N ATOM 845 CA ARG A 56 10.139 -0.644 0.711 1.00 0.00 C ATOM 846 C ARG A 56 9.805 -1.734 1.732 1.00 0.00 C ATOM 847 O ARG A 56 8.805 -2.436 1.592 1.00 0.00 O ATOM 848 CB ARG A 56 11.223 -1.158 -0.238 1.00 0.00 C ATOM 849 CG ARG A 56 10.663 -2.221 -1.185 1.00 0.00 C ATOM 850 CD ARG A 56 10.126 -1.584 -2.468 1.00 0.00 C ATOM 851 NE ARG A 56 10.560 -2.370 -3.644 1.00 0.00 N ATOM 852 CZ ARG A 56 10.265 -3.663 -3.835 1.00 0.00 C ATOM 853 NH1 ARG A 56 9.531 -4.323 -2.929 1.00 0.00 N ATOM 854 NH2 ARG A 56 10.702 -4.295 -4.933 1.00 0.00 N ATOM 0 H ARG A 56 11.534 0.839 1.207 1.00 0.00 H new ATOM 0 HA ARG A 56 9.250 -0.401 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.629 -0.328 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.047 -1.577 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.443 -2.941 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.866 -2.773 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.038 -1.538 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.486 -0.559 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 56 11.119 -1.898 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.197 -3.841 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.306 -5.307 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.259 -3.792 -5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.477 -5.279 -5.078 1.00 0.00 H new ATOM 868 N GLN A 57 10.662 -1.842 2.736 1.00 0.00 N ATOM 869 CA GLN A 57 10.471 -2.835 3.780 1.00 0.00 C ATOM 870 C GLN A 57 9.052 -2.745 4.344 1.00 0.00 C ATOM 871 O GLN A 57 8.264 -3.679 4.202 1.00 0.00 O ATOM 872 CB GLN A 57 11.513 -2.672 4.889 1.00 0.00 C ATOM 873 CG GLN A 57 11.622 -3.946 5.730 1.00 0.00 C ATOM 874 CD GLN A 57 12.176 -3.637 7.122 1.00 0.00 C ATOM 875 OE1 GLN A 57 13.371 -3.676 7.365 1.00 0.00 O ATOM 876 NE2 GLN A 57 11.244 -3.330 8.020 1.00 0.00 N ATOM 0 H GLN A 57 11.491 -1.258 2.849 1.00 0.00 H new ATOM 0 HA GLN A 57 10.606 -3.824 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.483 -2.437 4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.241 -1.832 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.641 -4.412 5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.270 -4.664 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.261 -3.316 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.513 -3.109 8.979 1.00 0.00 H new ATOM 885 N GLU A 58 8.769 -1.614 4.972 1.00 0.00 N ATOM 886 CA GLU A 58 7.458 -1.390 5.558 1.00 0.00 C ATOM 887 C GLU A 58 6.367 -1.963 4.652 1.00 0.00 C ATOM 888 O GLU A 58 5.499 -2.704 5.111 1.00 0.00 O ATOM 889 CB GLU A 58 7.224 0.098 5.826 1.00 0.00 C ATOM 890 CG GLU A 58 6.705 0.324 7.248 1.00 0.00 C ATOM 891 CD GLU A 58 6.000 1.677 7.366 1.00 0.00 C ATOM 892 OE1 GLU A 58 6.724 2.680 7.541 1.00 0.00 O ATOM 893 OE2 GLU A 58 4.754 1.676 7.278 1.00 0.00 O ATOM 0 H GLU A 58 9.425 -0.842 5.088 1.00 0.00 H new ATOM 0 HA GLU A 58 7.416 -1.908 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.154 0.648 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.507 0.492 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.014 -0.475 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.535 0.280 7.953 1.00 0.00 H new ATOM 900 N GLY A 59 6.446 -1.598 3.380 1.00 0.00 N ATOM 901 CA GLY A 59 5.476 -2.066 2.405 1.00 0.00 C ATOM 902 C GLY A 59 5.386 -3.593 2.411 1.00 0.00 C ATOM 903 O GLY A 59 4.293 -4.154 2.358 1.00 0.00 O ATOM 0 H GLY A 59 7.167 -0.983 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.498 -1.640 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.758 -1.719 1.411 1.00 0.00 H new ATOM 907 N LEU A 60 6.550 -4.222 2.476 1.00 0.00 N ATOM 908 CA LEU A 60 6.617 -5.674 2.489 1.00 0.00 C ATOM 909 C LEU A 60 5.720 -6.211 3.607 1.00 0.00 C ATOM 910 O LEU A 60 4.890 -7.088 3.374 1.00 0.00 O ATOM 911 CB LEU A 60 8.070 -6.143 2.587 1.00 0.00 C ATOM 912 CG LEU A 60 8.301 -7.647 2.433 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.400 -8.330 3.798 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.221 -8.280 1.553 1.00 0.00 C ATOM 0 H LEU A 60 7.455 -3.753 2.520 1.00 0.00 H new ATOM 0 HA LEU A 60 6.238 -6.081 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.650 -5.626 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.467 -5.832 3.553 1.00 0.00 H new ATOM 0 HG LEU A 60 9.256 -7.796 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.564 -9.399 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.233 -7.905 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.474 -8.174 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.409 -9.350 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.243 -8.121 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.241 -7.820 0.565 1.00 0.00 H new ATOM 926 N MET A 61 5.919 -5.662 4.796 1.00 0.00 N ATOM 927 CA MET A 61 5.138 -6.074 5.951 1.00 0.00 C ATOM 928 C MET A 61 3.648 -5.809 5.729 1.00 0.00 C ATOM 929 O MET A 61 2.833 -6.727 5.803 1.00 0.00 O ATOM 930 CB MET A 61 5.615 -5.311 7.188 1.00 0.00 C ATOM 931 CG MET A 61 7.135 -5.396 7.333 1.00 0.00 C ATOM 932 SD MET A 61 7.614 -4.970 8.999 1.00 0.00 S ATOM 933 CE MET A 61 7.160 -3.244 9.021 1.00 0.00 C ATOM 0 H MET A 61 6.609 -4.935 4.985 1.00 0.00 H new ATOM 0 HA MET A 61 5.278 -7.145 6.098 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.311 -4.267 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.138 -5.720 8.078 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.476 -6.404 7.094 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.615 -4.721 6.624 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.698 -3.002 9.978 1.00 0.00 H new ATOM 0 HE2 MET A 61 8.051 -2.632 8.883 1.00 0.00 H new ATOM 0 HE3 MET A 61 6.453 -3.043 8.216 1.00 0.00 H new ATOM 943 N ILE A 62 3.338 -4.549 5.461 1.00 0.00 N ATOM 944 CA ILE A 62 1.960 -4.151 5.228 1.00 0.00 C ATOM 945 C ILE A 62 1.313 -5.125 4.241 1.00 0.00 C ATOM 946 O ILE A 62 0.223 -5.637 4.493 1.00 0.00 O ATOM 947 CB ILE A 62 1.893 -2.689 4.782 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.519 -1.767 5.831 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.456 -2.283 4.447 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.772 -1.865 7.163 1.00 0.00 C ATOM 0 H ILE A 62 4.017 -3.791 5.400 1.00 0.00 H new ATOM 0 HA ILE A 62 1.386 -4.205 6.153 1.00 0.00 H new ATOM 0 HB ILE A 62 2.479 -2.583 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.566 -2.034 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.499 -0.737 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.437 -1.239 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.079 -2.912 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.172 -2.408 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.237 -1.200 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.731 -1.574 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.815 -2.891 7.529 1.00 0.00 H new ATOM 962 N SER A 63 2.011 -5.351 3.138 1.00 0.00 N ATOM 963 CA SER A 63 1.517 -6.254 2.112 1.00 0.00 C ATOM 964 C SER A 63 0.944 -7.517 2.758 1.00 0.00 C ATOM 965 O SER A 63 -0.204 -7.880 2.506 1.00 0.00 O ATOM 966 CB SER A 63 2.625 -6.620 1.122 1.00 0.00 C ATOM 967 OG SER A 63 2.736 -5.666 0.069 1.00 0.00 O ATOM 0 H SER A 63 2.914 -4.925 2.932 1.00 0.00 H new ATOM 0 HA SER A 63 0.726 -5.746 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.576 -6.689 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.423 -7.604 0.700 1.00 0.00 H new ATOM 0 HG SER A 63 2.962 -6.126 -0.766 1.00 0.00 H new ATOM 973 N ALA A 64 1.769 -8.150 3.578 1.00 0.00 N ATOM 974 CA ALA A 64 1.359 -9.364 4.262 1.00 0.00 C ATOM 975 C ALA A 64 -0.039 -9.165 4.852 1.00 0.00 C ATOM 976 O ALA A 64 -0.899 -10.036 4.728 1.00 0.00 O ATOM 977 CB ALA A 64 2.395 -9.725 5.328 1.00 0.00 C ATOM 0 H ALA A 64 2.720 -7.845 3.784 1.00 0.00 H new ATOM 0 HA ALA A 64 1.306 -10.199 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.087 -10.636 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.364 -9.885 4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.474 -8.911 6.049 1.00 0.00 H new ATOM 983 N SER A 65 -0.222 -8.013 5.480 1.00 0.00 N ATOM 984 CA SER A 65 -1.500 -7.688 6.090 1.00 0.00 C ATOM 985 C SER A 65 -2.605 -7.709 5.031 1.00 0.00 C ATOM 986 O SER A 65 -3.732 -8.112 5.313 1.00 0.00 O ATOM 987 CB SER A 65 -1.451 -6.323 6.778 1.00 0.00 C ATOM 988 OG SER A 65 -1.740 -6.416 8.171 1.00 0.00 O ATOM 0 H SER A 65 0.494 -7.293 5.580 1.00 0.00 H new ATOM 0 HA SER A 65 -1.718 -8.439 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.463 -5.883 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.167 -5.652 6.303 1.00 0.00 H new ATOM 0 HG SER A 65 -1.697 -5.524 8.574 1.00 0.00 H new ATOM 994 N LEU A 66 -2.242 -7.269 3.835 1.00 0.00 N ATOM 995 CA LEU A 66 -3.189 -7.232 2.733 1.00 0.00 C ATOM 996 C LEU A 66 -3.503 -8.661 2.288 1.00 0.00 C ATOM 997 O LEU A 66 -4.660 -9.079 2.299 1.00 0.00 O ATOM 998 CB LEU A 66 -2.665 -6.338 1.607 1.00 0.00 C ATOM 999 CG LEU A 66 -2.775 -4.830 1.841 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -1.911 -4.056 0.843 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -4.235 -4.375 1.808 1.00 0.00 C ATOM 0 H LEU A 66 -1.306 -6.935 3.605 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.130 -6.784 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.617 -6.583 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.206 -6.584 0.693 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.392 -4.610 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.007 -2.987 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.868 -4.352 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.241 -4.277 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.285 -3.299 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.667 -4.610 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.795 -4.891 2.588 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.452 -9.373 1.907 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.601 -10.747 1.459 1.00 0.00 C ATOM 1015 C LEU A 67 -3.368 -11.543 2.517 1.00 0.00 C ATOM 1016 O LEU A 67 -4.423 -12.107 2.231 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.238 -11.347 1.107 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.201 -12.865 0.921 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.997 -13.233 -0.549 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -0.143 -13.502 1.824 1.00 0.00 C ATOM 0 H LEU A 67 -1.494 -9.024 1.899 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.188 -10.787 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.884 -10.880 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.532 -11.080 1.893 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.167 -13.270 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.975 -14.318 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.817 -12.829 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.054 -12.815 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.137 -14.581 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.838 -13.096 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.375 -13.283 2.866 1.00 0.00 H new ATOM 1032 N SER A 68 -2.808 -11.564 3.718 1.00 0.00 N ATOM 1033 CA SER A 68 -3.425 -12.282 4.820 1.00 0.00 C ATOM 1034 C SER A 68 -4.940 -12.064 4.803 1.00 0.00 C ATOM 1035 O SER A 68 -5.704 -13.006 4.599 1.00 0.00 O ATOM 1036 CB SER A 68 -2.841 -11.839 6.162 1.00 0.00 C ATOM 1037 OG SER A 68 -2.965 -12.850 7.159 1.00 0.00 O ATOM 0 H SER A 68 -1.933 -11.095 3.952 1.00 0.00 H new ATOM 0 HA SER A 68 -3.215 -13.344 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.789 -11.584 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.349 -10.935 6.498 1.00 0.00 H new ATOM 0 HG SER A 68 -2.579 -12.529 8.000 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.328 -10.816 5.019 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.738 -10.463 5.031 1.00 0.00 C ATOM 1045 C GLU A 69 -7.480 -11.201 3.916 1.00 0.00 C ATOM 1046 O GLU A 69 -8.621 -11.623 4.097 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.925 -8.949 4.905 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.534 -8.239 6.203 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.603 -8.437 7.280 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.731 -7.947 7.056 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.267 -9.073 8.302 1.00 0.00 O ATOM 0 H GLU A 69 -4.691 -10.037 5.187 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.161 -10.771 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.318 -8.571 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.964 -8.726 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.578 -8.624 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.397 -7.175 6.013 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.802 -11.335 2.785 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.382 -12.016 1.640 1.00 0.00 C ATOM 1060 C GLY A 70 -7.633 -11.038 0.491 1.00 0.00 C ATOM 1061 O GLY A 70 -8.514 -11.261 -0.338 1.00 0.00 O ATOM 0 H GLY A 70 -5.856 -10.983 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.713 -12.810 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.320 -12.490 1.931 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.842 -9.975 0.477 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.967 -8.962 -0.557 1.00 0.00 C ATOM 1067 C TYR A 71 -6.115 -9.316 -1.778 1.00 0.00 C ATOM 1068 O TYR A 71 -6.292 -8.742 -2.851 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.441 -7.664 0.058 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.408 -7.006 1.045 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.671 -6.635 0.630 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -7.017 -6.785 2.350 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.581 -6.016 1.559 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.927 -6.166 3.279 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.164 -5.812 2.837 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.023 -5.228 3.715 1.00 0.00 O ATOM 0 H TYR A 71 -6.112 -9.793 1.166 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.002 -8.878 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.501 -7.871 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.219 -6.958 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.977 -6.809 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.029 -7.076 2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.572 -5.721 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.634 -5.987 4.303 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.591 -5.146 4.591 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.208 -10.260 -1.572 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.328 -10.698 -2.642 1.00 0.00 C ATOM 1088 C LEU A 72 -4.183 -12.220 -2.588 1.00 0.00 C ATOM 1089 O LEU A 72 -3.704 -12.766 -1.595 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.995 -9.950 -2.579 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.082 -8.423 -2.552 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.773 -7.807 -2.056 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.493 -7.874 -3.920 1.00 0.00 C ATOM 0 H LEU A 72 -5.064 -10.733 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.759 -10.454 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.458 -10.279 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.395 -10.245 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.859 -8.137 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.863 -6.721 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.563 -8.162 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.959 -8.098 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.548 -6.786 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.756 -8.169 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.469 -8.275 -4.195 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.606 -12.862 -3.667 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.529 -14.310 -3.754 1.00 0.00 C ATOM 1107 C GLN A 73 -3.212 -14.734 -4.407 1.00 0.00 C ATOM 1108 O GLN A 73 -2.741 -14.085 -5.340 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.727 -14.878 -4.517 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.012 -14.748 -3.697 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.253 -16.001 -2.853 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.966 -17.117 -3.256 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.793 -15.757 -1.663 1.00 0.00 N ATOM 0 H GLN A 73 -5.003 -12.406 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.558 -14.717 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.842 -14.352 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.547 -15.927 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.947 -13.875 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.859 -14.586 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.009 -14.799 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.992 -16.528 -1.025 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.640 -15.848 -3.877 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.386 -16.366 -4.399 1.00 0.00 C ATOM 1124 C PRO A 74 -1.600 -17.071 -5.740 1.00 0.00 C ATOM 1125 O PRO A 74 -2.641 -17.686 -5.963 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.863 -17.295 -3.315 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.058 -17.623 -2.436 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.169 -16.642 -2.772 1.00 0.00 C ATOM 0 HA PRO A 74 -0.662 -15.580 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.437 -18.200 -3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.073 -16.815 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.389 -18.647 -2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.789 -17.548 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.083 -17.162 -3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.416 -16.014 -1.916 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.596 -16.958 -6.598 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.661 -17.577 -7.911 1.00 0.00 C ATOM 1138 C ALA A 75 0.620 -18.377 -8.156 1.00 0.00 C ATOM 1139 O ALA A 75 1.652 -17.809 -8.510 1.00 0.00 O ATOM 1140 CB ALA A 75 -0.889 -16.499 -8.973 1.00 0.00 C ATOM 0 H ALA A 75 0.266 -16.447 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.499 -18.272 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.938 -16.963 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.826 -15.980 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.066 -15.785 -8.949 1.00 0.00 H new ATOM 1146 N GLY A 76 0.511 -19.682 -7.959 1.00 0.00 N ATOM 1147 CA GLY A 76 1.648 -20.566 -8.155 1.00 0.00 C ATOM 1148 C GLY A 76 1.910 -21.408 -6.904 1.00 0.00 C ATOM 1149 O GLY A 76 1.047 -21.521 -6.036 1.00 0.00 O ATOM 0 H GLY A 76 -0.347 -20.149 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.462 -21.221 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.534 -19.978 -8.394 1.00 0.00 H new ATOM 1153 N ASP A 77 3.106 -21.977 -6.853 1.00 0.00 N ATOM 1154 CA ASP A 77 3.492 -22.805 -5.723 1.00 0.00 C ATOM 1155 C ASP A 77 4.315 -21.969 -4.742 1.00 0.00 C ATOM 1156 O ASP A 77 4.229 -22.164 -3.530 1.00 0.00 O ATOM 1157 CB ASP A 77 4.353 -23.986 -6.175 1.00 0.00 C ATOM 1158 CG ASP A 77 3.725 -25.364 -5.958 1.00 0.00 C ATOM 1159 OD1 ASP A 77 2.477 -25.416 -5.895 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.506 -26.335 -5.859 1.00 0.00 O ATOM 0 H ASP A 77 3.820 -21.881 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 77 2.583 -23.180 -5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.577 -23.868 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.303 -23.948 -5.642 1.00 0.00 H new ATOM 1165 N LEU A 78 5.095 -21.055 -5.301 1.00 0.00 N ATOM 1166 CA LEU A 78 5.933 -20.189 -4.490 1.00 0.00 C ATOM 1167 C LEU A 78 5.048 -19.350 -3.565 1.00 0.00 C ATOM 1168 O LEU A 78 5.147 -19.454 -2.344 1.00 0.00 O ATOM 1169 CB LEU A 78 6.859 -19.355 -5.378 1.00 0.00 C ATOM 1170 CG LEU A 78 7.772 -18.365 -4.651 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.245 -18.704 -4.886 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.446 -16.924 -5.050 1.00 0.00 C ATOM 0 H LEU A 78 5.164 -20.896 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 78 6.589 -20.782 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.482 -20.035 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.246 -18.800 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 78 7.587 -18.453 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.872 -17.985 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.451 -19.708 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.462 -18.661 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.109 -16.241 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.585 -16.804 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.411 -16.700 -4.791 1.00 0.00 H new ATOM 1184 N SER A 79 4.203 -18.538 -4.184 1.00 0.00 N ATOM 1185 CA SER A 79 3.302 -17.682 -3.432 1.00 0.00 C ATOM 1186 C SER A 79 2.462 -18.525 -2.470 1.00 0.00 C ATOM 1187 O SER A 79 1.905 -18.002 -1.505 1.00 0.00 O ATOM 1188 CB SER A 79 2.394 -16.881 -4.367 1.00 0.00 C ATOM 1189 OG SER A 79 1.848 -17.692 -5.404 1.00 0.00 O ATOM 0 H SER A 79 4.124 -18.455 -5.198 1.00 0.00 H new ATOM 0 HA SER A 79 3.901 -16.975 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.583 -16.435 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.961 -16.061 -4.808 1.00 0.00 H new ATOM 0 HG SER A 79 2.359 -17.556 -6.229 1.00 0.00 H new ATOM 1195 N LYS A 80 2.396 -19.814 -2.765 1.00 0.00 N ATOM 1196 CA LYS A 80 1.633 -20.734 -1.939 1.00 0.00 C ATOM 1197 C LYS A 80 2.456 -21.106 -0.704 1.00 0.00 C ATOM 1198 O LYS A 80 2.068 -20.797 0.422 1.00 0.00 O ATOM 1199 CB LYS A 80 1.177 -21.941 -2.761 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.277 -21.782 -3.210 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.728 -22.983 -4.043 1.00 0.00 C ATOM 1202 CE LYS A 80 -1.998 -23.608 -3.460 1.00 0.00 C ATOM 1203 NZ LYS A 80 -1.820 -25.065 -3.273 1.00 0.00 N ATOM 0 H LYS A 80 2.859 -20.244 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 80 0.720 -20.258 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.820 -22.055 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.281 -22.849 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.922 -21.678 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.383 -20.869 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.911 -22.669 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.067 -23.728 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.236 -23.139 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.841 -23.421 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.691 -25.473 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.615 -25.510 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.029 -25.237 -2.620 1.00 0.00 H new ATOM 1217 N ASN A 81 3.578 -21.764 -0.956 1.00 0.00 N ATOM 1218 CA ASN A 81 4.459 -22.182 0.121 1.00 0.00 C ATOM 1219 C ASN A 81 4.559 -21.059 1.156 1.00 0.00 C ATOM 1220 O ASN A 81 4.398 -21.297 2.352 1.00 0.00 O ATOM 1221 CB ASN A 81 5.868 -22.471 -0.401 1.00 0.00 C ATOM 1222 CG ASN A 81 5.929 -23.836 -1.089 1.00 0.00 C ATOM 1223 OD1 ASN A 81 6.019 -24.875 -0.456 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.875 -23.776 -2.416 1.00 0.00 N ATOM 0 H ASN A 81 3.897 -22.018 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 81 4.046 -23.088 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.166 -21.692 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.578 -22.444 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.909 -24.634 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.800 -22.872 -2.883 1.00 0.00 H new ATOM 1231 N ALA A 82 4.825 -19.861 0.658 1.00 0.00 N ATOM 1232 CA ALA A 82 4.948 -18.701 1.525 1.00 0.00 C ATOM 1233 C ALA A 82 3.706 -18.599 2.413 1.00 0.00 C ATOM 1234 O ALA A 82 3.816 -18.554 3.637 1.00 0.00 O ATOM 1235 CB ALA A 82 5.161 -17.447 0.674 1.00 0.00 C ATOM 0 H ALA A 82 4.959 -19.668 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 82 5.814 -18.802 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.253 -16.577 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.071 -17.558 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.310 -17.312 0.006 1.00 0.00 H new ATOM 1241 N ALA A 83 2.553 -18.565 1.761 1.00 0.00 N ATOM 1242 CA ALA A 83 1.292 -18.469 2.476 1.00 0.00 C ATOM 1243 C ALA A 83 0.813 -19.874 2.848 1.00 0.00 C ATOM 1244 O ALA A 83 -0.341 -20.223 2.608 1.00 0.00 O ATOM 1245 CB ALA A 83 0.275 -17.714 1.618 1.00 0.00 C ATOM 0 H ALA A 83 2.466 -18.602 0.745 1.00 0.00 H new ATOM 0 HA ALA A 83 1.418 -17.908 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.671 -17.642 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.650 -16.712 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.121 -18.249 0.681 1.00 0.00 H new ATOM 1251 N ASP A 84 1.725 -20.641 3.427 1.00 0.00 N ATOM 1252 CA ASP A 84 1.410 -22.000 3.834 1.00 0.00 C ATOM 1253 C ASP A 84 1.953 -22.244 5.244 1.00 0.00 C ATOM 1254 O ASP A 84 1.194 -22.551 6.161 1.00 0.00 O ATOM 1255 CB ASP A 84 2.056 -23.020 2.895 1.00 0.00 C ATOM 1256 CG ASP A 84 1.374 -24.389 2.860 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.132 -24.408 2.999 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.111 -25.386 2.694 1.00 0.00 O ATOM 0 H ASP A 84 2.682 -20.347 3.624 1.00 0.00 H new ATOM 0 HA ASP A 84 0.327 -22.119 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.063 -22.609 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.096 -23.156 3.191 1.00 0.00 H new ATOM 1263 N GLY A 85 3.264 -22.098 5.371 1.00 0.00 N ATOM 1264 CA GLY A 85 3.918 -22.300 6.653 1.00 0.00 C ATOM 1265 C GLY A 85 5.417 -22.011 6.555 1.00 0.00 C ATOM 1266 O GLY A 85 6.223 -22.663 7.218 1.00 0.00 O ATOM 0 H GLY A 85 3.891 -21.842 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.467 -21.649 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.763 -23.326 6.987 1.00 0.00 H new ATOM 1270 N ILE A 86 5.746 -21.034 5.724 1.00 0.00 N ATOM 1271 CA ILE A 86 7.135 -20.651 5.530 1.00 0.00 C ATOM 1272 C ILE A 86 7.661 -19.994 6.808 1.00 0.00 C ATOM 1273 O ILE A 86 8.567 -20.519 7.452 1.00 0.00 O ATOM 1274 CB ILE A 86 7.281 -19.776 4.283 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.451 -20.635 3.028 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.422 -18.771 4.450 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.753 -21.436 3.084 1.00 0.00 C ATOM 0 H ILE A 86 5.075 -20.495 5.177 1.00 0.00 H new ATOM 0 HA ILE A 86 7.751 -21.531 5.347 1.00 0.00 H new ATOM 0 HB ILE A 86 6.363 -19.202 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.605 -21.316 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.450 -19.998 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.505 -18.162 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.218 -18.128 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.357 -19.306 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.849 -22.038 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.598 -20.752 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.741 -22.090 3.956 1.00 0.00 H new ATOM 1289 N ALA A 87 7.069 -18.855 7.136 1.00 0.00 N ATOM 1290 CA ALA A 87 7.466 -18.120 8.325 1.00 0.00 C ATOM 1291 C ALA A 87 6.306 -17.235 8.784 1.00 0.00 C ATOM 1292 O ALA A 87 5.145 -17.631 8.694 1.00 0.00 O ATOM 1293 CB ALA A 87 8.732 -17.314 8.027 1.00 0.00 C ATOM 0 H ALA A 87 6.317 -18.423 6.599 1.00 0.00 H new ATOM 0 HA ALA A 87 7.699 -18.805 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.030 -16.762 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.534 -17.991 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.535 -16.613 7.216 1.00 0.00 H new ATOM 1299 N GLU A 88 6.660 -16.053 9.266 1.00 0.00 N ATOM 1300 CA GLU A 88 5.663 -15.108 9.740 1.00 0.00 C ATOM 1301 C GLU A 88 5.283 -14.133 8.623 1.00 0.00 C ATOM 1302 O GLU A 88 4.284 -13.423 8.728 1.00 0.00 O ATOM 1303 CB GLU A 88 6.161 -14.358 10.976 1.00 0.00 C ATOM 1304 CG GLU A 88 7.164 -13.269 10.590 1.00 0.00 C ATOM 1305 CD GLU A 88 6.632 -11.881 10.950 1.00 0.00 C ATOM 1306 OE1 GLU A 88 5.651 -11.462 10.297 1.00 0.00 O ATOM 1307 OE2 GLU A 88 7.217 -11.269 11.870 1.00 0.00 O ATOM 0 H GLU A 88 7.624 -15.728 9.339 1.00 0.00 H new ATOM 0 HA GLU A 88 4.772 -15.665 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.316 -13.910 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.628 -15.059 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.110 -13.444 11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.366 -13.319 9.520 1.00 0.00 H new ATOM 1314 N ASN A 89 6.100 -14.130 7.580 1.00 0.00 N ATOM 1315 CA ASN A 89 5.862 -13.254 6.446 1.00 0.00 C ATOM 1316 C ASN A 89 5.399 -14.089 5.251 1.00 0.00 C ATOM 1317 O ASN A 89 6.212 -14.720 4.577 1.00 0.00 O ATOM 1318 CB ASN A 89 7.141 -12.518 6.041 1.00 0.00 C ATOM 1319 CG ASN A 89 6.874 -11.025 5.838 1.00 0.00 C ATOM 1320 OD1 ASN A 89 6.693 -10.546 4.730 1.00 0.00 O ATOM 1321 ND2 ASN A 89 6.859 -10.320 6.965 1.00 0.00 N ATOM 0 H ASN A 89 6.928 -14.720 7.497 1.00 0.00 H new ATOM 0 HA ASN A 89 5.103 -12.527 6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.902 -12.654 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.537 -12.949 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.688 -9.315 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.018 -10.784 7.859 1.00 0.00 H new ATOM 1328 N PRO A 90 4.059 -14.064 5.018 1.00 0.00 N ATOM 1329 CA PRO A 90 3.478 -14.811 3.915 1.00 0.00 C ATOM 1330 C PRO A 90 3.758 -14.123 2.578 1.00 0.00 C ATOM 1331 O PRO A 90 3.694 -14.755 1.525 1.00 0.00 O ATOM 1332 CB PRO A 90 1.995 -14.900 4.239 1.00 0.00 C ATOM 1333 CG PRO A 90 1.726 -13.809 5.262 1.00 0.00 C ATOM 1334 CD PRO A 90 3.066 -13.328 5.794 1.00 0.00 C ATOM 0 HA PRO A 90 3.909 -15.806 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.390 -14.754 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.741 -15.882 4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.178 -12.984 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.108 -14.191 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.180 -12.252 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.165 -13.533 6.860 1.00 0.00 H new ATOM 1342 N PHE A 91 4.062 -12.836 2.664 1.00 0.00 N ATOM 1343 CA PHE A 91 4.352 -12.055 1.474 1.00 0.00 C ATOM 1344 C PHE A 91 5.841 -12.117 1.126 1.00 0.00 C ATOM 1345 O PHE A 91 6.691 -12.112 2.015 1.00 0.00 O ATOM 1346 CB PHE A 91 3.974 -10.605 1.787 1.00 0.00 C ATOM 1347 CG PHE A 91 3.307 -9.871 0.622 1.00 0.00 C ATOM 1348 CD1 PHE A 91 1.975 -10.026 0.395 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.045 -9.063 -0.185 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.355 -9.344 -0.686 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.425 -8.381 -1.265 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.093 -8.536 -1.493 1.00 0.00 C ATOM 0 H PHE A 91 4.114 -12.315 3.539 1.00 0.00 H new ATOM 0 HA PHE A 91 3.791 -12.448 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.301 -10.593 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.872 -10.061 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.389 -10.667 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.103 -8.940 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.297 -9.467 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.011 -7.739 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.622 -8.017 -2.315 1.00 0.00 H new ATOM 1362 N LEU A 92 6.111 -12.175 -0.170 1.00 0.00 N ATOM 1363 CA LEU A 92 7.483 -12.239 -0.646 1.00 0.00 C ATOM 1364 C LEU A 92 7.763 -11.032 -1.543 1.00 0.00 C ATOM 1365 O LEU A 92 7.252 -10.951 -2.659 1.00 0.00 O ATOM 1366 CB LEU A 92 7.753 -13.584 -1.323 1.00 0.00 C ATOM 1367 CG LEU A 92 7.501 -14.828 -0.468 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.624 -16.102 -1.305 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.426 -14.851 0.751 1.00 0.00 C ATOM 0 H LEU A 92 5.404 -12.179 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 92 8.180 -12.184 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.132 -13.650 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.791 -13.599 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 92 6.478 -14.786 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.440 -16.971 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.892 -16.079 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.627 -16.165 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.227 -15.745 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.464 -14.859 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.246 -13.965 1.361 1.00 0.00 H new ATOM 1381 N ASP A 93 8.574 -10.123 -1.021 1.00 0.00 N ATOM 1382 CA ASP A 93 8.929 -8.923 -1.761 1.00 0.00 C ATOM 1383 C ASP A 93 9.813 -9.305 -2.950 1.00 0.00 C ATOM 1384 O ASP A 93 10.995 -8.966 -2.983 1.00 0.00 O ATOM 1385 CB ASP A 93 9.713 -7.946 -0.883 1.00 0.00 C ATOM 1386 CG ASP A 93 10.393 -6.802 -1.637 1.00 0.00 C ATOM 1387 OD1 ASP A 93 10.179 -6.726 -2.866 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.112 -6.030 -0.967 1.00 0.00 O ATOM 0 H ASP A 93 8.995 -10.193 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 93 8.007 -8.447 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.035 -7.521 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.473 -8.503 -0.335 1.00 0.00 H new ATOM 1393 N SER A 94 9.206 -10.005 -3.897 1.00 0.00 N ATOM 1394 CA SER A 94 9.923 -10.437 -5.084 1.00 0.00 C ATOM 1395 C SER A 94 9.021 -10.317 -6.314 1.00 0.00 C ATOM 1396 O SER A 94 7.804 -10.462 -6.211 1.00 0.00 O ATOM 1397 CB SER A 94 10.425 -11.874 -4.933 1.00 0.00 C ATOM 1398 OG SER A 94 11.713 -12.055 -5.517 1.00 0.00 O ATOM 0 H SER A 94 8.225 -10.284 -3.866 1.00 0.00 H new ATOM 0 HA SER A 94 10.790 -9.790 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.467 -12.134 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.716 -12.557 -5.401 1.00 0.00 H new ATOM 0 HG SER A 94 11.998 -12.985 -5.398 1.00 0.00 H new ATOM 1404 N PRO A 95 9.668 -10.044 -7.478 1.00 0.00 N ATOM 1405 CA PRO A 95 8.937 -9.903 -8.726 1.00 0.00 C ATOM 1406 C PRO A 95 8.487 -11.266 -9.255 1.00 0.00 C ATOM 1407 O PRO A 95 7.701 -11.341 -10.198 1.00 0.00 O ATOM 1408 CB PRO A 95 9.896 -9.189 -9.665 1.00 0.00 C ATOM 1409 CG PRO A 95 11.281 -9.371 -9.064 1.00 0.00 C ATOM 1410 CD PRO A 95 11.109 -9.865 -7.637 1.00 0.00 C ATOM 0 HA PRO A 95 8.015 -9.334 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.847 -9.612 -10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.644 -8.132 -9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.860 -10.086 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.830 -8.429 -9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.645 -10.800 -7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.500 -9.145 -6.919 1.00 0.00 H new ATOM 1418 N ASP A 96 9.004 -12.310 -8.624 1.00 0.00 N ATOM 1419 CA ASP A 96 8.664 -13.666 -9.020 1.00 0.00 C ATOM 1420 C ASP A 96 7.268 -14.011 -8.498 1.00 0.00 C ATOM 1421 O ASP A 96 6.427 -14.508 -9.246 1.00 0.00 O ATOM 1422 CB ASP A 96 9.651 -14.676 -8.429 1.00 0.00 C ATOM 1423 CG ASP A 96 11.047 -14.658 -9.056 1.00 0.00 C ATOM 1424 OD1 ASP A 96 11.794 -13.703 -8.752 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.335 -15.600 -9.826 1.00 0.00 O ATOM 0 H ASP A 96 9.655 -12.244 -7.842 1.00 0.00 H new ATOM 0 HA ASP A 96 8.701 -13.718 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.747 -14.485 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.233 -15.677 -8.538 1.00 0.00 H new ATOM 1430 N ALA A 97 7.063 -13.733 -7.219 1.00 0.00 N ATOM 1431 CA ALA A 97 5.783 -14.006 -6.589 1.00 0.00 C ATOM 1432 C ALA A 97 4.693 -13.187 -7.282 1.00 0.00 C ATOM 1433 O ALA A 97 4.859 -11.989 -7.506 1.00 0.00 O ATOM 1434 CB ALA A 97 5.876 -13.706 -5.092 1.00 0.00 C ATOM 0 H ALA A 97 7.763 -13.321 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 97 5.520 -15.059 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.915 -13.911 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.643 -14.336 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.136 -12.657 -4.946 1.00 0.00 H new ATOM 1440 N PHE A 98 3.600 -13.865 -7.602 1.00 0.00 N ATOM 1441 CA PHE A 98 2.483 -13.215 -8.265 1.00 0.00 C ATOM 1442 C PHE A 98 1.221 -13.278 -7.402 1.00 0.00 C ATOM 1443 O PHE A 98 0.983 -14.271 -6.717 1.00 0.00 O ATOM 1444 CB PHE A 98 2.233 -13.974 -9.569 1.00 0.00 C ATOM 1445 CG PHE A 98 3.501 -14.262 -10.375 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.094 -13.266 -11.088 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.036 -15.512 -10.379 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.271 -13.533 -11.837 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.213 -15.778 -11.127 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.806 -14.783 -11.840 1.00 0.00 C ATOM 0 H PHE A 98 3.465 -14.858 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 98 2.717 -12.165 -8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.739 -14.918 -9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.545 -13.397 -10.187 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.670 -12.273 -11.084 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.566 -16.303 -9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.741 -12.743 -12.404 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.638 -16.771 -11.130 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.702 -14.986 -12.408 1.00 0.00 H new ATOM 1460 N TYR A 99 0.446 -12.205 -7.464 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.785 -12.126 -6.696 1.00 0.00 C ATOM 1462 C TYR A 99 -1.894 -11.454 -7.508 1.00 0.00 C ATOM 1463 O TYR A 99 -1.624 -10.587 -8.337 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.466 -11.260 -5.476 1.00 0.00 C ATOM 1465 CG TYR A 99 0.408 -11.956 -4.431 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.010 -13.140 -3.858 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.616 -11.400 -4.061 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.813 -13.794 -2.875 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.439 -12.054 -3.078 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.997 -13.219 -2.533 1.00 0.00 C ATOM 1471 OH TYR A 99 2.775 -13.838 -1.604 1.00 0.00 O ATOM 0 H TYR A 99 0.647 -11.383 -8.034 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.132 -13.122 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.037 -10.352 -5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.401 -10.953 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.955 -13.576 -4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.944 -10.474 -4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.497 -14.721 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.386 -11.629 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 99 3.591 -13.315 -1.459 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.120 -11.879 -7.240 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.272 -11.329 -7.934 1.00 0.00 C ATOM 1483 C TYR A 100 -5.463 -11.176 -6.986 1.00 0.00 C ATOM 1484 O TYR A 100 -5.652 -11.992 -6.085 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.630 -12.341 -9.024 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.158 -13.673 -8.488 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.274 -14.663 -8.108 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.517 -13.885 -8.384 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.771 -15.917 -7.603 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -7.014 -15.139 -7.878 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.116 -16.093 -7.513 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.585 -17.277 -7.036 1.00 0.00 O ATOM 0 H TYR A 100 -3.341 -12.598 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 100 -4.042 -10.343 -8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.381 -11.902 -9.680 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.746 -12.531 -9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.210 -14.497 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.209 -13.111 -8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.090 -16.700 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.076 -15.317 -7.791 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.565 -17.261 -7.026 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.235 -10.126 -7.221 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.402 -9.856 -6.399 1.00 0.00 C ATOM 1504 C PHE A 101 -8.453 -10.955 -6.562 1.00 0.00 C ATOM 1505 O PHE A 101 -8.641 -11.483 -7.657 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.991 -8.528 -6.881 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.960 -7.409 -7.035 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.162 -7.071 -5.987 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.841 -6.752 -8.220 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.204 -6.032 -6.130 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.883 -5.713 -8.363 1.00 0.00 C ATOM 1512 CZ PHE A 101 -5.085 -5.375 -7.315 1.00 0.00 C ATOM 0 H PHE A 101 -6.075 -9.452 -7.969 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.116 -9.817 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.484 -8.688 -7.840 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.759 -8.206 -6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.257 -7.593 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.475 -7.020 -9.052 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.570 -5.764 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.788 -5.191 -9.304 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.357 -4.585 -7.424 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.129 -11.277 -5.426 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.156 -12.304 -5.432 1.00 0.00 C ATOM 1524 C PRO A 102 -11.439 -11.793 -6.091 1.00 0.00 C ATOM 1525 O PRO A 102 -12.406 -11.466 -5.405 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.347 -12.678 -3.971 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.762 -11.529 -3.167 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.933 -10.674 -4.111 1.00 0.00 C ATOM 0 HA PRO A 102 -9.874 -13.178 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.403 -12.820 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.841 -13.615 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.557 -10.937 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.144 -11.908 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.264 -9.635 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.881 -10.677 -3.827 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.406 -11.741 -7.415 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.554 -11.275 -8.174 1.00 0.00 C ATOM 1538 C ASP A 103 -12.194 -11.236 -9.661 1.00 0.00 C ATOM 1539 O ASP A 103 -13.017 -11.573 -10.511 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.960 -9.863 -7.748 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.465 -9.592 -7.758 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.187 -10.376 -7.104 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.861 -8.608 -8.419 1.00 0.00 O ATOM 0 H ASP A 103 -10.603 -12.014 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.382 -11.959 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.580 -9.680 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.473 -9.146 -8.409 1.00 0.00 H new ATOM 1548 N SER A 104 -10.965 -10.821 -9.929 1.00 0.00 N ATOM 1549 CA SER A 104 -10.487 -10.733 -11.298 1.00 0.00 C ATOM 1550 C SER A 104 -9.661 -11.973 -11.644 1.00 0.00 C ATOM 1551 O SER A 104 -10.174 -12.918 -12.242 1.00 0.00 O ATOM 1552 CB SER A 104 -9.656 -9.466 -11.511 1.00 0.00 C ATOM 1553 OG SER A 104 -10.421 -8.420 -12.105 1.00 0.00 O ATOM 0 H SER A 104 -10.286 -10.542 -9.221 1.00 0.00 H new ATOM 0 HA SER A 104 -11.352 -10.683 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.260 -9.127 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.801 -9.696 -12.147 1.00 0.00 H new ATOM 0 HG SER A 104 -9.856 -7.628 -12.223 1.00 0.00 H new