USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 51 THR OG1 : rot 12:sc= 1.88 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -113:sc= 0.797 (180deg=-0.502) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.718 K(o=0.72,f=-0.36) USER MOD Set 2.2: A 76 THR OG1 : rot 97:sc= 0.00469 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 14 THR OG1 : rot 69:sc= 0.603 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 23 GLN : amide:sc= -1.84! C(o=-1.8!,f=-7.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.43) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0741 K(o=-0.074,f=-0.87) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.26) USER MOD Single : A 47 LYS NZ :NH3+ -134:sc= 0.561 (180deg=-0.62) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 54 ASN : amide:sc= 0.38 K(o=0.38,f=-0.57) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.278) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.065 X(o=-0.065,f=-0.065) USER MOD Single : A 87 SER OG : rot -86:sc= 1.01 USER MOD Single : A 97 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.862 K(o=0.86,f=-0.1) USER MOD Single : A 118 SER OG : rot -44:sc= 0.565 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.286 7.980 -8.830 1.00 0.00 N ATOM 60 CA GLY A 7 -2.818 9.270 -8.360 1.00 0.00 C ATOM 61 C GLY A 7 -1.315 9.184 -8.118 1.00 0.00 C ATOM 62 O GLY A 7 -0.723 8.100 -8.169 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.039 10.043 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.334 9.548 -7.441 1.00 0.00 H new ATOM 66 N SER A 8 -0.692 10.330 -7.841 1.00 0.00 N ATOM 67 CA SER A 8 0.734 10.443 -7.595 1.00 0.00 C ATOM 68 C SER A 8 1.150 9.587 -6.404 1.00 0.00 C ATOM 69 O SER A 8 0.334 9.137 -5.589 1.00 0.00 O ATOM 70 CB SER A 8 1.102 11.913 -7.340 1.00 0.00 C ATOM 71 OG SER A 8 2.498 12.134 -7.316 1.00 0.00 O ATOM 0 H SER A 8 -1.182 11.223 -7.782 1.00 0.00 H new ATOM 0 HA SER A 8 1.266 10.084 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.654 12.534 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.673 12.230 -6.390 1.00 0.00 H new ATOM 0 HG SER A 8 2.676 13.084 -7.152 1.00 0.00 H new ATOM 77 N ALA A 9 2.465 9.436 -6.294 1.00 0.00 N ATOM 78 CA ALA A 9 3.109 8.876 -5.133 1.00 0.00 C ATOM 79 C ALA A 9 2.773 9.696 -3.899 1.00 0.00 C ATOM 80 O ALA A 9 2.216 9.147 -2.948 1.00 0.00 O ATOM 81 CB ALA A 9 4.613 8.735 -5.367 1.00 0.00 C ATOM 0 H ALA A 9 3.118 9.708 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 9 2.729 7.870 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.081 8.310 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.789 8.078 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.043 9.716 -5.570 1.00 0.00 H new ATOM 87 N LYS A 10 3.092 10.999 -3.891 1.00 0.00 N ATOM 88 CA LYS A 10 2.845 11.776 -2.677 1.00 0.00 C ATOM 89 C LYS A 10 1.358 11.850 -2.403 1.00 0.00 C ATOM 90 O LYS A 10 0.984 11.718 -1.251 1.00 0.00 O ATOM 91 CB LYS A 10 3.491 13.171 -2.694 1.00 0.00 C ATOM 92 CG LYS A 10 4.001 13.454 -1.276 1.00 0.00 C ATOM 93 CD LYS A 10 4.275 14.925 -0.975 1.00 0.00 C ATOM 94 CE LYS A 10 4.620 15.023 0.521 1.00 0.00 C ATOM 95 NZ LYS A 10 5.758 15.921 0.775 1.00 0.00 N ATOM 0 H LYS A 10 3.501 11.513 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 10 3.333 11.249 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.311 13.206 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.767 13.926 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.268 13.082 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.919 12.888 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.098 15.296 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.403 15.535 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.749 15.381 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.852 14.029 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.953 15.955 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.598 15.567 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.529 16.877 0.435 1.00 0.00 H new ATOM 109 N ASN A 11 0.521 11.990 -3.435 1.00 0.00 N ATOM 110 CA ASN A 11 -0.920 12.189 -3.291 1.00 0.00 C ATOM 111 C ASN A 11 -1.557 11.273 -2.241 1.00 0.00 C ATOM 112 O ASN A 11 -2.296 11.762 -1.387 1.00 0.00 O ATOM 113 CB ASN A 11 -1.625 11.999 -4.635 1.00 0.00 C ATOM 114 CG ASN A 11 -3.128 12.164 -4.445 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.625 13.286 -4.374 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.853 11.081 -4.250 1.00 0.00 N ATOM 0 H ASN A 11 0.832 11.968 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.050 13.214 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.256 12.727 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.404 11.010 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.847 11.164 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.420 10.159 -4.314 1.00 0.00 H new ATOM 123 N ALA A 12 -1.286 9.970 -2.313 1.00 0.00 N ATOM 124 CA ALA A 12 -1.842 8.996 -1.388 1.00 0.00 C ATOM 125 C ALA A 12 -1.317 9.240 0.034 1.00 0.00 C ATOM 126 O ALA A 12 -2.101 9.490 0.951 1.00 0.00 O ATOM 127 CB ALA A 12 -1.526 7.592 -1.903 1.00 0.00 C ATOM 0 H ALA A 12 -0.672 9.564 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.926 9.100 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.938 6.852 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.969 7.458 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.446 7.463 -1.969 1.00 0.00 H new ATOM 133 N TYR A 13 0.009 9.238 0.215 1.00 0.00 N ATOM 134 CA TYR A 13 0.647 9.481 1.507 1.00 0.00 C ATOM 135 C TYR A 13 0.217 10.803 2.132 1.00 0.00 C ATOM 136 O TYR A 13 0.067 10.884 3.351 1.00 0.00 O ATOM 137 CB TYR A 13 2.163 9.506 1.338 1.00 0.00 C ATOM 138 CG TYR A 13 2.920 9.841 2.613 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.260 8.820 3.515 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.258 11.175 2.912 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.943 9.118 4.705 1.00 0.00 C ATOM 142 CE2 TYR A 13 3.930 11.483 4.107 1.00 0.00 C ATOM 143 CZ TYR A 13 4.255 10.457 5.022 1.00 0.00 C ATOM 144 OH TYR A 13 4.829 10.770 6.216 1.00 0.00 O ATOM 0 H TYR A 13 0.672 9.066 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 13 0.337 8.671 2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.494 8.533 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.421 10.237 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.994 7.797 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.000 11.964 2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.229 8.323 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.198 12.506 4.326 1.00 0.00 H new ATOM 0 HH TYR A 13 4.975 11.738 6.265 1.00 0.00 H new ATOM 154 N THR A 14 0.042 11.839 1.312 1.00 0.00 N ATOM 155 CA THR A 14 -0.402 13.144 1.743 1.00 0.00 C ATOM 156 C THR A 14 -1.683 12.945 2.560 1.00 0.00 C ATOM 157 O THR A 14 -1.740 13.343 3.720 1.00 0.00 O ATOM 158 CB THR A 14 -0.596 14.064 0.524 1.00 0.00 C ATOM 159 OG1 THR A 14 0.641 14.347 -0.110 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.272 15.380 0.891 1.00 0.00 C ATOM 0 H THR A 14 0.212 11.782 0.308 1.00 0.00 H new ATOM 0 HA THR A 14 0.338 13.637 2.373 1.00 0.00 H new ATOM 0 HB THR A 14 -1.245 13.519 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.981 13.535 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.386 15.993 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.254 15.178 1.319 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.661 15.912 1.620 1.00 0.00 H new ATOM 168 N LYS A 15 -2.689 12.282 1.973 1.00 0.00 N ATOM 169 CA LYS A 15 -3.953 12.018 2.646 1.00 0.00 C ATOM 170 C LYS A 15 -3.769 11.175 3.901 1.00 0.00 C ATOM 171 O LYS A 15 -4.411 11.468 4.901 1.00 0.00 O ATOM 172 CB LYS A 15 -4.966 11.375 1.683 1.00 0.00 C ATOM 173 CG LYS A 15 -5.336 12.239 0.460 1.00 0.00 C ATOM 174 CD LYS A 15 -6.034 13.549 0.868 1.00 0.00 C ATOM 175 CE LYS A 15 -6.144 14.569 -0.266 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.289 15.487 -0.083 1.00 0.00 N ATOM 0 H LYS A 15 -2.643 11.918 1.021 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.355 12.979 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.559 10.427 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.877 11.145 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.434 12.470 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.990 11.670 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.034 13.318 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.487 13.998 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.222 15.148 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.250 14.044 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.324 16.160 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.172 14.939 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.177 16.008 0.810 1.00 0.00 H new ATOM 190 N LEU A 16 -2.875 10.182 3.927 1.00 0.00 N ATOM 191 CA LEU A 16 -2.643 9.419 5.149 1.00 0.00 C ATOM 192 C LEU A 16 -2.281 10.307 6.340 1.00 0.00 C ATOM 193 O LEU A 16 -2.550 9.917 7.472 1.00 0.00 O ATOM 194 CB LEU A 16 -1.539 8.382 4.966 1.00 0.00 C ATOM 195 CG LEU A 16 -2.004 7.009 4.507 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.586 6.949 3.102 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.786 6.089 4.589 1.00 0.00 C ATOM 0 H LEU A 16 -2.310 9.894 3.128 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.588 8.919 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.821 8.765 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.009 8.270 5.912 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.827 6.710 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.886 5.926 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.455 7.604 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.835 7.275 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.066 5.085 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.002 6.470 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.425 6.054 5.617 1.00 0.00 H new ATOM 209 N GLY A 17 -1.669 11.468 6.123 1.00 0.00 N ATOM 210 CA GLY A 17 -1.281 12.365 7.193 1.00 0.00 C ATOM 211 C GLY A 17 -2.275 13.478 7.481 1.00 0.00 C ATOM 212 O GLY A 17 -1.953 14.335 8.308 1.00 0.00 O ATOM 0 H GLY A 17 -1.430 11.809 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.135 11.782 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.319 12.812 6.943 1.00 0.00 H new ATOM 216 N THR A 18 -3.449 13.482 6.853 1.00 0.00 N ATOM 217 CA THR A 18 -4.537 14.406 7.164 1.00 0.00 C ATOM 218 C THR A 18 -5.713 13.667 7.822 1.00 0.00 C ATOM 219 O THR A 18 -6.625 14.284 8.377 1.00 0.00 O ATOM 220 CB THR A 18 -4.971 15.105 5.861 1.00 0.00 C ATOM 221 OG1 THR A 18 -5.428 14.183 4.896 1.00 0.00 O ATOM 222 CG2 THR A 18 -3.838 15.865 5.162 1.00 0.00 C ATOM 0 H THR A 18 -3.675 12.832 6.100 1.00 0.00 H new ATOM 0 HA THR A 18 -4.194 15.154 7.879 1.00 0.00 H new ATOM 0 HB THR A 18 -5.752 15.790 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.390 14.038 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.219 16.331 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.451 16.635 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.038 15.171 4.906 1.00 0.00 H new ATOM 230 N ASP A 19 -5.728 12.338 7.701 1.00 0.00 N ATOM 231 CA ASP A 19 -6.923 11.523 7.777 1.00 0.00 C ATOM 232 C ASP A 19 -6.576 10.238 8.503 1.00 0.00 C ATOM 233 O ASP A 19 -6.053 9.300 7.909 1.00 0.00 O ATOM 234 CB ASP A 19 -7.436 11.222 6.367 1.00 0.00 C ATOM 235 CG ASP A 19 -8.402 12.289 5.869 1.00 0.00 C ATOM 236 OD1 ASP A 19 -7.975 13.315 5.300 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.626 12.093 6.037 1.00 0.00 O ATOM 0 H ASP A 19 -4.881 11.792 7.543 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.709 12.050 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.591 11.150 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.934 10.252 6.362 1.00 0.00 H new ATOM 242 N ASP A 20 -6.914 10.155 9.782 1.00 0.00 N ATOM 243 CA ASP A 20 -6.802 8.933 10.583 1.00 0.00 C ATOM 244 C ASP A 20 -7.592 7.755 9.971 1.00 0.00 C ATOM 245 O ASP A 20 -7.287 6.593 10.236 1.00 0.00 O ATOM 246 CB ASP A 20 -7.278 9.269 12.000 1.00 0.00 C ATOM 247 CG ASP A 20 -7.587 8.025 12.823 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.656 7.410 13.383 1.00 0.00 O ATOM 249 OD2 ASP A 20 -8.794 7.697 12.928 1.00 0.00 O ATOM 0 H ASP A 20 -7.282 10.948 10.307 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.765 8.598 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.512 9.855 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.170 9.893 11.942 1.00 0.00 H new ATOM 254 N ASN A 21 -8.594 8.044 9.132 1.00 0.00 N ATOM 255 CA ASN A 21 -9.427 7.065 8.427 1.00 0.00 C ATOM 256 C ASN A 21 -8.792 6.617 7.111 1.00 0.00 C ATOM 257 O ASN A 21 -9.313 5.713 6.463 1.00 0.00 O ATOM 258 CB ASN A 21 -10.808 7.660 8.098 1.00 0.00 C ATOM 259 CG ASN A 21 -10.683 8.825 7.130 1.00 0.00 C ATOM 260 OD1 ASN A 21 -10.645 8.671 5.908 1.00 0.00 O ATOM 261 ND2 ASN A 21 -10.547 10.024 7.664 1.00 0.00 N ATOM 0 H ASN A 21 -8.856 9.006 8.918 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.524 6.209 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.446 6.890 7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.291 7.995 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.409 10.837 7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.580 10.138 8.677 1.00 0.00 H new ATOM 268 N ALA A 22 -7.737 7.279 6.642 1.00 0.00 N ATOM 269 CA ALA A 22 -7.031 6.823 5.463 1.00 0.00 C ATOM 270 C ALA A 22 -6.201 5.598 5.858 1.00 0.00 C ATOM 271 O ALA A 22 -5.770 5.496 7.005 1.00 0.00 O ATOM 272 CB ALA A 22 -6.180 7.971 4.935 1.00 0.00 C ATOM 0 H ALA A 22 -7.359 8.128 7.063 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.708 6.526 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.640 7.645 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.823 8.814 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.467 8.277 5.700 1.00 0.00 H new ATOM 278 N GLN A 23 -5.923 4.671 4.943 1.00 0.00 N ATOM 279 CA GLN A 23 -5.223 3.423 5.253 1.00 0.00 C ATOM 280 C GLN A 23 -4.232 3.028 4.164 1.00 0.00 C ATOM 281 O GLN A 23 -4.161 3.668 3.120 1.00 0.00 O ATOM 282 CB GLN A 23 -6.242 2.300 5.500 1.00 0.00 C ATOM 283 CG GLN A 23 -6.550 2.102 6.993 1.00 0.00 C ATOM 284 CD GLN A 23 -5.410 1.428 7.760 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.281 1.309 7.274 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.678 1.000 8.978 1.00 0.00 N ATOM 0 H GLN A 23 -6.178 4.764 3.960 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.641 3.586 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.166 2.529 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.858 1.368 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.760 3.071 7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.453 1.500 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.617 1.108 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.946 0.561 9.537 1.00 0.00 H new ATOM 295 N LEU A 24 -3.459 1.965 4.408 1.00 0.00 N ATOM 296 CA LEU A 24 -2.401 1.513 3.513 1.00 0.00 C ATOM 297 C LEU A 24 -2.398 -0.004 3.409 1.00 0.00 C ATOM 298 O LEU A 24 -2.246 -0.678 4.431 1.00 0.00 O ATOM 299 CB LEU A 24 -1.070 2.025 4.054 1.00 0.00 C ATOM 300 CG LEU A 24 0.076 2.127 3.036 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.331 0.903 2.149 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.116 3.349 2.152 1.00 0.00 C ATOM 0 H LEU A 24 -3.556 1.390 5.245 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.567 1.905 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.232 3.011 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.753 1.368 4.864 1.00 0.00 H new ATOM 0 HG LEU A 24 0.965 2.204 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.165 1.108 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.572 0.044 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.562 0.686 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.702 3.411 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.062 3.266 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.126 4.247 2.770 1.00 0.00 H new ATOM 314 N LEU A 25 -2.587 -0.521 2.196 1.00 0.00 N ATOM 315 CA LEU A 25 -2.574 -1.956 1.900 1.00 0.00 C ATOM 316 C LEU A 25 -1.362 -2.233 1.035 1.00 0.00 C ATOM 317 O LEU A 25 -1.303 -1.881 -0.140 1.00 0.00 O ATOM 318 CB LEU A 25 -3.886 -2.472 1.272 1.00 0.00 C ATOM 319 CG LEU A 25 -4.370 -3.861 1.737 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.624 -5.010 1.066 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.285 -4.066 3.241 1.00 0.00 C ATOM 0 H LEU A 25 -2.757 0.057 1.373 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.503 -2.513 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.673 -1.748 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.759 -2.499 0.190 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.417 -3.876 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.011 -5.960 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.766 -4.955 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.561 -4.937 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.642 -5.065 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.250 -3.958 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.902 -3.322 3.745 1.00 0.00 H new ATOM 333 N ASP A 26 -0.342 -2.752 1.685 1.00 0.00 N ATOM 334 CA ASP A 26 0.974 -3.004 1.143 1.00 0.00 C ATOM 335 C ASP A 26 0.912 -4.369 0.456 1.00 0.00 C ATOM 336 O ASP A 26 0.970 -5.415 1.117 1.00 0.00 O ATOM 337 CB ASP A 26 1.931 -2.908 2.337 1.00 0.00 C ATOM 338 CG ASP A 26 3.402 -2.895 1.991 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.812 -3.397 0.923 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.163 -2.419 2.872 1.00 0.00 O ATOM 0 H ASP A 26 -0.415 -3.025 2.665 1.00 0.00 H new ATOM 0 HA ASP A 26 1.325 -2.301 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.699 -2.001 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.739 -3.750 3.003 1.00 0.00 H new ATOM 345 N ILE A 27 0.639 -4.361 -0.856 1.00 0.00 N ATOM 346 CA ILE A 27 0.431 -5.572 -1.656 1.00 0.00 C ATOM 347 C ILE A 27 1.749 -6.123 -2.212 1.00 0.00 C ATOM 348 O ILE A 27 1.719 -7.121 -2.944 1.00 0.00 O ATOM 349 CB ILE A 27 -0.630 -5.378 -2.764 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.239 -4.358 -3.855 1.00 0.00 C ATOM 351 CG2 ILE A 27 -1.993 -5.069 -2.121 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.073 -4.520 -5.137 1.00 0.00 C ATOM 0 H ILE A 27 0.556 -3.500 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 27 0.030 -6.325 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.698 -6.319 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.368 -3.348 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.818 -4.475 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.741 -4.932 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.288 -5.898 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.917 -4.158 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.758 -3.779 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.924 -5.520 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.128 -4.376 -4.905 1.00 0.00 H new ATOM 364 N ARG A 28 2.884 -5.487 -1.905 1.00 0.00 N ATOM 365 CA ARG A 28 4.199 -5.960 -2.328 1.00 0.00 C ATOM 366 C ARG A 28 4.475 -7.329 -1.713 1.00 0.00 C ATOM 367 O ARG A 28 3.894 -7.696 -0.691 1.00 0.00 O ATOM 368 CB ARG A 28 5.275 -4.939 -1.938 1.00 0.00 C ATOM 369 CG ARG A 28 5.032 -3.566 -2.582 1.00 0.00 C ATOM 370 CD ARG A 28 6.298 -2.704 -2.708 1.00 0.00 C ATOM 371 NE ARG A 28 7.071 -2.674 -1.464 1.00 0.00 N ATOM 372 CZ ARG A 28 8.391 -2.828 -1.315 1.00 0.00 C ATOM 373 NH1 ARG A 28 9.241 -2.882 -2.336 1.00 0.00 N ATOM 374 NH2 ARG A 28 8.852 -2.937 -0.086 1.00 0.00 N ATOM 0 H ARG A 28 2.913 -4.628 -1.355 1.00 0.00 H new ATOM 0 HA ARG A 28 4.220 -6.066 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.295 -4.831 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.254 -5.312 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.603 -3.712 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.293 -3.024 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.922 -3.093 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.018 -1.688 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 28 6.538 -2.517 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.895 -2.805 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.239 -3.001 -2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.209 -2.902 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.852 -3.056 0.075 1.00 0.00 H new ATOM 388 N ALA A 29 5.304 -8.124 -2.389 1.00 0.00 N ATOM 389 CA ALA A 29 5.466 -9.529 -2.053 1.00 0.00 C ATOM 390 C ALA A 29 6.158 -9.704 -0.705 1.00 0.00 C ATOM 391 O ALA A 29 6.888 -8.827 -0.249 1.00 0.00 O ATOM 392 CB ALA A 29 6.236 -10.240 -3.158 1.00 0.00 C ATOM 0 H ALA A 29 5.874 -7.812 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 29 4.477 -9.978 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.354 -11.292 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.687 -10.156 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.219 -9.782 -3.270 1.00 0.00 H new ATOM 398 N THR A 30 6.003 -10.881 -0.092 1.00 0.00 N ATOM 399 CA THR A 30 6.624 -11.156 1.197 1.00 0.00 C ATOM 400 C THR A 30 8.156 -11.016 1.123 1.00 0.00 C ATOM 401 O THR A 30 8.788 -10.594 2.093 1.00 0.00 O ATOM 402 CB THR A 30 6.169 -12.521 1.735 1.00 0.00 C ATOM 403 OG1 THR A 30 4.749 -12.587 1.763 1.00 0.00 O ATOM 404 CG2 THR A 30 6.684 -12.721 3.162 1.00 0.00 C ATOM 0 H THR A 30 5.454 -11.653 -0.470 1.00 0.00 H new ATOM 0 HA THR A 30 6.289 -10.407 1.914 1.00 0.00 H new ATOM 0 HB THR A 30 6.567 -13.296 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.469 -13.461 2.106 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.356 -13.692 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.773 -12.680 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.290 -11.934 3.805 1.00 0.00 H new ATOM 412 N ALA A 31 8.755 -11.316 -0.030 1.00 0.00 N ATOM 413 CA ALA A 31 10.192 -11.180 -0.214 1.00 0.00 C ATOM 414 C ALA A 31 10.660 -9.725 -0.288 1.00 0.00 C ATOM 415 O ALA A 31 11.841 -9.460 -0.040 1.00 0.00 O ATOM 416 CB ALA A 31 10.586 -11.943 -1.477 1.00 0.00 C ATOM 0 H ALA A 31 8.259 -11.657 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 31 10.688 -11.599 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.661 -11.855 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.321 -12.994 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.058 -11.525 -2.334 1.00 0.00 H new ATOM 422 N ASP A 32 9.782 -8.784 -0.626 1.00 0.00 N ATOM 423 CA ASP A 32 10.153 -7.389 -0.834 1.00 0.00 C ATOM 424 C ASP A 32 10.315 -6.664 0.500 1.00 0.00 C ATOM 425 O ASP A 32 11.185 -5.796 0.604 1.00 0.00 O ATOM 426 CB ASP A 32 9.209 -6.710 -1.840 1.00 0.00 C ATOM 427 CG ASP A 32 9.659 -7.046 -3.254 1.00 0.00 C ATOM 428 OD1 ASP A 32 10.576 -6.364 -3.774 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.134 -8.025 -3.828 1.00 0.00 O ATOM 0 H ASP A 32 8.789 -8.970 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 32 11.136 -7.337 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.185 -7.048 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.215 -5.630 -1.691 1.00 0.00 H new ATOM 434 N PHE A 33 9.666 -7.119 1.581 1.00 0.00 N ATOM 435 CA PHE A 33 9.962 -6.595 2.921 1.00 0.00 C ATOM 436 C PHE A 33 11.380 -6.959 3.355 1.00 0.00 C ATOM 437 O PHE A 33 11.925 -6.331 4.263 1.00 0.00 O ATOM 438 CB PHE A 33 8.950 -7.124 3.952 1.00 0.00 C ATOM 439 CG PHE A 33 7.503 -6.885 3.570 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.910 -5.631 3.777 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.772 -7.895 2.925 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.610 -5.392 3.306 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.485 -7.642 2.418 1.00 0.00 C ATOM 444 CZ PHE A 33 4.916 -6.372 2.584 1.00 0.00 C ATOM 0 H PHE A 33 8.943 -7.838 1.555 1.00 0.00 H new ATOM 0 HA PHE A 33 9.882 -5.509 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 33 9.108 -8.194 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.145 -6.650 4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.451 -4.854 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.204 -8.879 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.138 -4.441 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.939 -8.420 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.949 -6.150 2.158 1.00 0.00 H new ATOM 454 N ARG A 34 11.990 -7.975 2.735 1.00 0.00 N ATOM 455 CA ARG A 34 13.316 -8.453 3.105 1.00 0.00 C ATOM 456 C ARG A 34 14.413 -7.741 2.316 1.00 0.00 C ATOM 457 O ARG A 34 15.520 -7.592 2.836 1.00 0.00 O ATOM 458 CB ARG A 34 13.428 -9.963 2.885 1.00 0.00 C ATOM 459 CG ARG A 34 12.138 -10.740 3.194 1.00 0.00 C ATOM 460 CD ARG A 34 12.353 -12.247 3.145 1.00 0.00 C ATOM 461 NE ARG A 34 12.968 -12.669 1.883 1.00 0.00 N ATOM 462 CZ ARG A 34 13.194 -13.918 1.489 1.00 0.00 C ATOM 463 NH1 ARG A 34 12.888 -14.936 2.282 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.737 -14.102 0.295 1.00 0.00 N ATOM 0 H ARG A 34 11.571 -8.488 1.959 1.00 0.00 H new ATOM 0 HA ARG A 34 13.453 -8.230 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.712 -10.148 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.232 -10.352 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.773 -10.458 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.366 -10.461 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.987 -12.551 3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.397 -12.755 3.271 1.00 0.00 H new ATOM 0 HE ARG A 34 13.251 -11.928 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.477 -14.762 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.064 -15.893 1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.968 -13.299 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.925 -15.047 -0.040 1.00 0.00 H new ATOM 478 N GLN A 35 14.107 -7.363 1.069 1.00 0.00 N ATOM 479 CA GLN A 35 15.084 -6.994 0.042 1.00 0.00 C ATOM 480 C GLN A 35 14.919 -5.564 -0.463 1.00 0.00 C ATOM 481 O GLN A 35 15.782 -5.059 -1.176 1.00 0.00 O ATOM 482 CB GLN A 35 15.000 -8.025 -1.088 1.00 0.00 C ATOM 483 CG GLN A 35 13.992 -7.708 -2.210 1.00 0.00 C ATOM 484 CD GLN A 35 13.459 -8.947 -2.931 1.00 0.00 C ATOM 485 OE1 GLN A 35 14.010 -10.043 -2.841 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.330 -8.817 -3.608 1.00 0.00 N ATOM 0 H GLN A 35 13.144 -7.304 0.739 1.00 0.00 H new ATOM 0 HA GLN A 35 16.081 -7.009 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.989 -8.130 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.741 -8.991 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.153 -7.157 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.468 -7.052 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.879 -7.905 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.910 -9.629 -4.060 1.00 0.00 H new ATOM 495 N VAL A 36 13.836 -4.921 -0.037 1.00 0.00 N ATOM 496 CA VAL A 36 13.618 -3.485 -0.130 1.00 0.00 C ATOM 497 C VAL A 36 13.305 -2.901 1.264 1.00 0.00 C ATOM 498 O VAL A 36 13.789 -1.825 1.616 1.00 0.00 O ATOM 499 CB VAL A 36 12.509 -3.199 -1.155 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.310 -1.690 -1.321 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.798 -3.809 -2.538 1.00 0.00 C ATOM 0 H VAL A 36 13.055 -5.409 0.401 1.00 0.00 H new ATOM 0 HA VAL A 36 14.524 -2.991 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 36 11.606 -3.666 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.521 -1.505 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.028 -1.253 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.238 -1.237 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.979 -3.573 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.727 -3.396 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.893 -4.891 -2.446 1.00 0.00 H new ATOM 511 N GLY A 37 12.534 -3.601 2.106 1.00 0.00 N ATOM 512 CA GLY A 37 12.089 -3.082 3.399 1.00 0.00 C ATOM 513 C GLY A 37 10.610 -2.711 3.340 1.00 0.00 C ATOM 514 O GLY A 37 9.901 -3.195 2.459 1.00 0.00 O ATOM 0 H GLY A 37 12.202 -4.545 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.253 -3.830 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.680 -2.207 3.670 1.00 0.00 H new ATOM 518 N SER A 38 10.129 -1.871 4.261 1.00 0.00 N ATOM 519 CA SER A 38 8.709 -1.515 4.348 1.00 0.00 C ATOM 520 C SER A 38 8.513 0.001 4.522 1.00 0.00 C ATOM 521 O SER A 38 9.370 0.629 5.143 1.00 0.00 O ATOM 522 CB SER A 38 8.062 -2.259 5.530 1.00 0.00 C ATOM 523 OG SER A 38 8.737 -3.446 5.917 1.00 0.00 O ATOM 0 H SER A 38 10.711 -1.419 4.966 1.00 0.00 H new ATOM 0 HA SER A 38 8.231 -1.810 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.017 -1.586 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.034 -2.509 5.267 1.00 0.00 H new ATOM 0 HG SER A 38 8.267 -3.858 6.672 1.00 0.00 H new ATOM 529 N PRO A 39 7.373 0.590 4.107 1.00 0.00 N ATOM 530 CA PRO A 39 7.089 2.025 4.239 1.00 0.00 C ATOM 531 C PRO A 39 6.794 2.424 5.685 1.00 0.00 C ATOM 532 O PRO A 39 6.103 1.684 6.391 1.00 0.00 O ATOM 533 CB PRO A 39 5.858 2.276 3.362 1.00 0.00 C ATOM 534 CG PRO A 39 5.148 0.923 3.335 1.00 0.00 C ATOM 535 CD PRO A 39 6.305 -0.070 3.373 1.00 0.00 C ATOM 0 HA PRO A 39 7.951 2.618 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.220 3.054 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.140 2.600 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.481 0.799 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.542 0.803 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.008 -0.997 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.628 -0.332 2.365 1.00 0.00 H new ATOM 543 N ASN A 40 7.263 3.591 6.142 1.00 0.00 N ATOM 544 CA ASN A 40 7.005 4.074 7.503 1.00 0.00 C ATOM 545 C ASN A 40 5.867 5.088 7.517 1.00 0.00 C ATOM 546 O ASN A 40 6.074 6.296 7.630 1.00 0.00 O ATOM 547 CB ASN A 40 8.256 4.636 8.192 1.00 0.00 C ATOM 548 CG ASN A 40 7.901 5.201 9.566 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.086 4.610 10.276 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.457 6.333 9.955 1.00 0.00 N ATOM 0 H ASN A 40 7.831 4.225 5.580 1.00 0.00 H new ATOM 0 HA ASN A 40 6.702 3.204 8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.004 3.850 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.699 5.417 7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.214 6.736 10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.129 6.805 9.351 1.00 0.00 H new ATOM 557 N ILE A 41 4.636 4.584 7.472 1.00 0.00 N ATOM 558 CA ILE A 41 3.456 5.399 7.754 1.00 0.00 C ATOM 559 C ILE A 41 3.111 5.437 9.252 1.00 0.00 C ATOM 560 O ILE A 41 2.120 6.056 9.620 1.00 0.00 O ATOM 561 CB ILE A 41 2.258 4.946 6.899 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.762 3.507 7.165 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.569 5.119 5.404 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.230 3.476 7.090 1.00 0.00 C ATOM 0 H ILE A 41 4.429 3.612 7.242 1.00 0.00 H new ATOM 0 HA ILE A 41 3.698 6.424 7.474 1.00 0.00 H new ATOM 0 HB ILE A 41 1.439 5.598 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.187 2.822 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.096 3.171 8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.712 4.794 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.777 6.168 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.439 4.517 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.123 2.462 7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.185 4.149 7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.092 3.795 6.099 1.00 0.00 H new ATOM 576 N LYS A 42 3.868 4.757 10.122 1.00 0.00 N ATOM 577 CA LYS A 42 3.445 4.529 11.505 1.00 0.00 C ATOM 578 C LYS A 42 3.303 5.836 12.279 1.00 0.00 C ATOM 579 O LYS A 42 2.327 5.993 13.012 1.00 0.00 O ATOM 580 CB LYS A 42 4.386 3.523 12.183 1.00 0.00 C ATOM 581 CG LYS A 42 3.672 2.420 12.973 1.00 0.00 C ATOM 582 CD LYS A 42 2.989 2.936 14.249 1.00 0.00 C ATOM 583 CE LYS A 42 2.329 1.804 15.046 1.00 0.00 C ATOM 584 NZ LYS A 42 1.899 2.267 16.381 1.00 0.00 N ATOM 0 H LYS A 42 4.777 4.356 9.890 1.00 0.00 H new ATOM 0 HA LYS A 42 2.448 4.089 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.012 3.060 11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.051 4.063 12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.925 1.949 12.334 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.394 1.649 13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.725 3.439 14.876 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.237 3.678 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.468 1.423 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.030 0.976 15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.456 1.479 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.725 2.608 16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.212 3.041 16.275 1.00 0.00 H new ATOM 598 N GLY A 43 4.185 6.807 12.032 1.00 0.00 N ATOM 599 CA GLY A 43 4.090 8.137 12.622 1.00 0.00 C ATOM 600 C GLY A 43 2.850 8.928 12.193 1.00 0.00 C ATOM 601 O GLY A 43 2.606 9.995 12.754 1.00 0.00 O ATOM 0 H GLY A 43 4.988 6.689 11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.088 8.041 13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.980 8.706 12.354 1.00 0.00 H new ATOM 605 N LEU A 44 2.073 8.462 11.208 1.00 0.00 N ATOM 606 CA LEU A 44 0.800 9.066 10.813 1.00 0.00 C ATOM 607 C LEU A 44 -0.348 8.500 11.653 1.00 0.00 C ATOM 608 O LEU A 44 -1.454 9.025 11.566 1.00 0.00 O ATOM 609 CB LEU A 44 0.490 8.810 9.321 1.00 0.00 C ATOM 610 CG LEU A 44 1.645 9.095 8.347 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.282 8.609 6.943 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.974 10.589 8.305 1.00 0.00 C ATOM 0 H LEU A 44 2.318 7.640 10.655 1.00 0.00 H new ATOM 0 HA LEU A 44 0.891 10.139 10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.188 7.769 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.364 9.424 9.035 1.00 0.00 H new ATOM 0 HG LEU A 44 2.524 8.557 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.107 8.816 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.092 7.536 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.388 9.128 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.794 10.761 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.096 11.146 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.266 10.925 9.300 1.00 0.00 H new ATOM 624 N GLY A 45 -0.149 7.408 12.405 1.00 0.00 N ATOM 625 CA GLY A 45 -1.202 6.787 13.206 1.00 0.00 C ATOM 626 C GLY A 45 -1.098 5.269 13.333 1.00 0.00 C ATOM 627 O GLY A 45 -1.507 4.724 14.354 1.00 0.00 O ATOM 0 H GLY A 45 0.751 6.933 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.185 7.223 14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.168 7.036 12.766 1.00 0.00 H new ATOM 631 N LYS A 46 -0.589 4.551 12.328 1.00 0.00 N ATOM 632 CA LYS A 46 -0.521 3.086 12.323 1.00 0.00 C ATOM 633 C LYS A 46 0.277 2.649 11.115 1.00 0.00 C ATOM 634 O LYS A 46 0.543 3.443 10.214 1.00 0.00 O ATOM 635 CB LYS A 46 -1.908 2.398 12.307 1.00 0.00 C ATOM 636 CG LYS A 46 -3.043 3.024 11.484 1.00 0.00 C ATOM 637 CD LYS A 46 -2.704 3.397 10.036 1.00 0.00 C ATOM 638 CE LYS A 46 -3.905 4.088 9.384 1.00 0.00 C ATOM 639 NZ LYS A 46 -3.464 5.012 8.332 1.00 0.00 N ATOM 0 H LYS A 46 -0.207 4.976 11.483 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.043 2.779 13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.765 1.379 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.251 2.327 13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.881 2.327 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.384 3.923 11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.837 4.057 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.438 2.502 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.575 3.340 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.472 4.633 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.294 5.445 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.870 5.756 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.914 4.490 7.620 1.00 0.00 H new ATOM 653 N LYS A 47 0.709 1.397 11.097 1.00 0.00 N ATOM 654 CA LYS A 47 1.426 0.839 9.982 1.00 0.00 C ATOM 655 C LYS A 47 0.448 0.415 8.896 1.00 0.00 C ATOM 656 O LYS A 47 -0.752 0.287 9.135 1.00 0.00 O ATOM 657 CB LYS A 47 2.250 -0.344 10.501 1.00 0.00 C ATOM 658 CG LYS A 47 3.373 -0.767 9.560 1.00 0.00 C ATOM 659 CD LYS A 47 4.306 0.405 9.241 1.00 0.00 C ATOM 660 CE LYS A 47 5.523 -0.190 8.569 1.00 0.00 C ATOM 661 NZ LYS A 47 5.295 -0.812 7.254 1.00 0.00 N ATOM 0 H LYS A 47 0.566 0.742 11.866 1.00 0.00 H new ATOM 0 HA LYS A 47 2.096 1.575 9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.678 -0.081 11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.587 -1.193 10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.945 -1.576 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.947 -1.157 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.815 1.126 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.586 0.938 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.270 0.596 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.951 -0.940 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.774 -1.734 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.274 -0.946 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.675 -0.196 6.508 1.00 0.00 H new ATOM 675 N ALA A 48 0.987 0.144 7.712 1.00 0.00 N ATOM 676 CA ALA A 48 0.263 -0.560 6.680 1.00 0.00 C ATOM 677 C ALA A 48 -0.049 -1.978 7.142 1.00 0.00 C ATOM 678 O ALA A 48 0.716 -2.590 7.899 1.00 0.00 O ATOM 679 CB ALA A 48 1.116 -0.598 5.415 1.00 0.00 C ATOM 0 H ALA A 48 1.936 0.409 7.449 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.676 -0.046 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.578 -1.128 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.327 0.420 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.054 -1.113 5.624 1.00 0.00 H new ATOM 685 N VAL A 49 -1.156 -2.506 6.651 1.00 0.00 N ATOM 686 CA VAL A 49 -1.419 -3.928 6.580 1.00 0.00 C ATOM 687 C VAL A 49 -0.643 -4.407 5.358 1.00 0.00 C ATOM 688 O VAL A 49 -0.738 -3.785 4.302 1.00 0.00 O ATOM 689 CB VAL A 49 -2.938 -4.125 6.407 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.304 -5.596 6.168 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.734 -3.583 7.604 1.00 0.00 C ATOM 0 H VAL A 49 -1.918 -1.938 6.280 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.116 -4.483 7.468 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.213 -3.550 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.384 -5.688 6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.810 -5.952 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.978 -6.195 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.799 -3.744 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.427 -4.104 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.542 -2.516 7.715 1.00 0.00 H new ATOM 701 N SER A 50 0.120 -5.490 5.484 1.00 0.00 N ATOM 702 CA SER A 50 0.708 -6.153 4.335 1.00 0.00 C ATOM 703 C SER A 50 -0.128 -7.385 4.021 1.00 0.00 C ATOM 704 O SER A 50 -0.460 -8.152 4.931 1.00 0.00 O ATOM 705 CB SER A 50 2.173 -6.473 4.606 1.00 0.00 C ATOM 706 OG SER A 50 2.342 -7.212 5.797 1.00 0.00 O ATOM 0 H SER A 50 0.344 -5.925 6.379 1.00 0.00 H new ATOM 0 HA SER A 50 0.700 -5.506 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.582 -7.038 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.741 -5.545 4.672 1.00 0.00 H new ATOM 0 HG SER A 50 3.294 -7.398 5.934 1.00 0.00 H new ATOM 712 N THR A 51 -0.503 -7.587 2.763 1.00 0.00 N ATOM 713 CA THR A 51 -1.131 -8.805 2.264 1.00 0.00 C ATOM 714 C THR A 51 -0.879 -8.779 0.765 1.00 0.00 C ATOM 715 O THR A 51 -1.368 -7.882 0.085 1.00 0.00 O ATOM 716 CB THR A 51 -2.635 -8.836 2.611 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.779 -9.066 4.002 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.411 -9.949 1.901 1.00 0.00 C ATOM 0 H THR A 51 -0.374 -6.882 2.037 1.00 0.00 H new ATOM 0 HA THR A 51 -0.721 -9.707 2.718 1.00 0.00 H new ATOM 0 HB THR A 51 -3.039 -7.877 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.909 -8.964 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.460 -9.906 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.331 -9.817 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.995 -10.917 2.180 1.00 0.00 H new ATOM 726 N VAL A 52 -0.068 -9.710 0.268 1.00 0.00 N ATOM 727 CA VAL A 52 0.258 -9.782 -1.147 1.00 0.00 C ATOM 728 C VAL A 52 -1.049 -10.028 -1.901 1.00 0.00 C ATOM 729 O VAL A 52 -1.760 -10.993 -1.604 1.00 0.00 O ATOM 730 CB VAL A 52 1.322 -10.864 -1.418 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.890 -10.708 -2.832 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.448 -10.839 -0.374 1.00 0.00 C ATOM 0 H VAL A 52 0.378 -10.431 0.835 1.00 0.00 H new ATOM 0 HA VAL A 52 0.704 -8.850 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 52 0.832 -11.835 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.640 -11.479 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.086 -10.810 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.349 -9.725 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.175 -11.618 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.940 -9.867 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.029 -11.015 0.617 1.00 0.00 H new ATOM 742 N TYR A 53 -1.402 -9.132 -2.824 1.00 0.00 N ATOM 743 CA TYR A 53 -2.594 -9.317 -3.634 1.00 0.00 C ATOM 744 C TYR A 53 -2.419 -10.518 -4.559 1.00 0.00 C ATOM 745 O TYR A 53 -1.317 -10.767 -5.053 1.00 0.00 O ATOM 746 CB TYR A 53 -2.937 -8.045 -4.409 1.00 0.00 C ATOM 747 CG TYR A 53 -4.053 -8.263 -5.412 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.339 -8.648 -4.982 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.788 -8.130 -6.785 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.355 -8.900 -5.921 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.795 -8.390 -7.728 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.087 -8.761 -7.302 1.00 0.00 C ATOM 753 OH TYR A 53 -7.064 -8.979 -8.219 1.00 0.00 O ATOM 0 H TYR A 53 -0.880 -8.279 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.437 -9.522 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.230 -7.263 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.048 -7.689 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.545 -8.750 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.806 -7.827 -7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.338 -9.199 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.579 -8.306 -8.783 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.705 -8.838 -9.120 1.00 0.00 H new ATOM 763 N ASN A 54 -3.525 -11.222 -4.798 1.00 0.00 N ATOM 764 CA ASN A 54 -3.647 -12.338 -5.728 1.00 0.00 C ATOM 765 C ASN A 54 -4.921 -12.157 -6.543 1.00 0.00 C ATOM 766 O ASN A 54 -6.020 -12.250 -5.995 1.00 0.00 O ATOM 767 CB ASN A 54 -3.763 -13.682 -4.991 1.00 0.00 C ATOM 768 CG ASN A 54 -2.478 -14.233 -4.398 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.378 -13.768 -4.677 1.00 0.00 O ATOM 770 ND2 ASN A 54 -2.599 -15.262 -3.583 1.00 0.00 N ATOM 0 H ASN A 54 -4.404 -11.017 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.755 -12.349 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.491 -13.571 -4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.164 -14.420 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.768 -15.687 -3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.523 -15.633 -3.364 1.00 0.00 H new ATOM 777 N GLY A 55 -4.799 -11.987 -7.858 1.00 0.00 N ATOM 778 CA GLY A 55 -5.944 -12.076 -8.755 1.00 0.00 C ATOM 779 C GLY A 55 -6.411 -13.514 -8.981 1.00 0.00 C ATOM 780 O GLY A 55 -7.521 -13.713 -9.482 1.00 0.00 O ATOM 0 H GLY A 55 -3.915 -11.786 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.768 -11.492 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.684 -11.629 -9.714 1.00 0.00 H new ATOM 784 N GLU A 56 -5.614 -14.526 -8.612 1.00 0.00 N ATOM 785 CA GLU A 56 -6.063 -15.916 -8.618 1.00 0.00 C ATOM 786 C GLU A 56 -7.268 -16.072 -7.686 1.00 0.00 C ATOM 787 O GLU A 56 -8.241 -16.749 -8.037 1.00 0.00 O ATOM 788 CB GLU A 56 -4.915 -16.858 -8.210 1.00 0.00 C ATOM 789 CG GLU A 56 -5.415 -18.291 -7.965 1.00 0.00 C ATOM 790 CD GLU A 56 -4.306 -19.339 -7.979 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.603 -19.507 -6.958 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.211 -20.087 -8.978 1.00 0.00 O ATOM 0 H GLU A 56 -4.649 -14.401 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.369 -16.190 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.156 -16.866 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.438 -16.480 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.926 -18.328 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.152 -18.544 -8.727 1.00 0.00 H new ATOM 799 N ASP A 57 -7.233 -15.435 -6.518 1.00 0.00 N ATOM 800 CA ASP A 57 -8.132 -15.689 -5.403 1.00 0.00 C ATOM 801 C ASP A 57 -8.626 -14.364 -4.823 1.00 0.00 C ATOM 802 O ASP A 57 -8.267 -13.967 -3.725 1.00 0.00 O ATOM 803 CB ASP A 57 -7.483 -16.649 -4.382 1.00 0.00 C ATOM 804 CG ASP A 57 -6.146 -16.184 -3.788 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.109 -16.371 -4.459 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.084 -15.719 -2.631 1.00 0.00 O ATOM 0 H ASP A 57 -6.552 -14.702 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.024 -16.213 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.186 -16.810 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.329 -17.614 -4.865 1.00 0.00 H new ATOM 811 N LYS A 58 -9.525 -13.691 -5.550 1.00 0.00 N ATOM 812 CA LYS A 58 -10.193 -12.456 -5.117 1.00 0.00 C ATOM 813 C LYS A 58 -10.725 -12.553 -3.671 1.00 0.00 C ATOM 814 O LYS A 58 -10.235 -11.827 -2.799 1.00 0.00 O ATOM 815 CB LYS A 58 -11.275 -12.038 -6.139 1.00 0.00 C ATOM 816 CG LYS A 58 -10.751 -11.589 -7.511 1.00 0.00 C ATOM 817 CD LYS A 58 -10.233 -10.148 -7.506 1.00 0.00 C ATOM 818 CE LYS A 58 -9.878 -9.662 -8.917 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.051 -9.372 -9.768 1.00 0.00 N ATOM 0 H LYS A 58 -9.816 -13.997 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.450 -11.659 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.954 -12.877 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.861 -11.225 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.949 -12.257 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.549 -11.681 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.990 -9.492 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.353 -10.081 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.269 -8.762 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.265 -10.419 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.730 -9.050 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.623 -10.234 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.627 -8.628 -9.324 1.00 0.00 H new ATOM 833 N PRO A 59 -11.675 -13.455 -3.352 1.00 0.00 N ATOM 834 CA PRO A 59 -12.123 -13.663 -1.980 1.00 0.00 C ATOM 835 C PRO A 59 -11.004 -14.224 -1.094 1.00 0.00 C ATOM 836 O PRO A 59 -10.952 -13.900 0.095 1.00 0.00 O ATOM 837 CB PRO A 59 -13.307 -14.632 -2.076 1.00 0.00 C ATOM 838 CG PRO A 59 -13.005 -15.424 -3.346 1.00 0.00 C ATOM 839 CD PRO A 59 -12.358 -14.375 -4.243 1.00 0.00 C ATOM 0 HA PRO A 59 -12.414 -12.723 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.369 -15.280 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.257 -14.102 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.335 -16.261 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.910 -15.837 -3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.658 -14.836 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.108 -13.856 -4.840 1.00 0.00 H new ATOM 847 N GLY A 60 -10.101 -15.038 -1.653 1.00 0.00 N ATOM 848 CA GLY A 60 -8.962 -15.614 -0.952 1.00 0.00 C ATOM 849 C GLY A 60 -7.918 -14.585 -0.530 1.00 0.00 C ATOM 850 O GLY A 60 -7.054 -14.904 0.279 1.00 0.00 O ATOM 0 H GLY A 60 -10.149 -15.318 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.319 -16.140 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.489 -16.356 -1.595 1.00 0.00 H new ATOM 854 N PHE A 61 -8.061 -13.327 -0.930 1.00 0.00 N ATOM 855 CA PHE A 61 -7.243 -12.208 -0.504 1.00 0.00 C ATOM 856 C PHE A 61 -8.006 -11.364 0.510 1.00 0.00 C ATOM 857 O PHE A 61 -7.486 -11.076 1.593 1.00 0.00 O ATOM 858 CB PHE A 61 -6.853 -11.443 -1.770 1.00 0.00 C ATOM 859 CG PHE A 61 -6.443 -10.009 -1.556 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.129 -9.713 -1.166 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.369 -8.971 -1.776 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.720 -8.374 -1.054 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.964 -7.634 -1.642 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.630 -7.341 -1.317 1.00 0.00 C ATOM 0 H PHE A 61 -8.786 -13.051 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.334 -12.525 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.031 -11.970 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.696 -11.463 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.434 -10.512 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.388 -9.203 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.706 -8.141 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.675 -6.834 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.303 -6.313 -1.269 1.00 0.00 H new ATOM 874 N LEU A 62 -9.269 -11.033 0.225 1.00 0.00 N ATOM 875 CA LEU A 62 -10.121 -10.231 1.109 1.00 0.00 C ATOM 876 C LEU A 62 -10.281 -10.854 2.504 1.00 0.00 C ATOM 877 O LEU A 62 -10.635 -10.154 3.452 1.00 0.00 O ATOM 878 CB LEU A 62 -11.495 -9.999 0.453 1.00 0.00 C ATOM 879 CG LEU A 62 -11.453 -9.081 -0.787 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.766 -9.179 -1.566 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.196 -7.612 -0.422 1.00 0.00 C ATOM 0 H LEU A 62 -9.734 -11.318 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.624 -9.272 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.916 -10.962 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.170 -9.565 1.191 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.622 -9.426 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.721 -8.526 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.920 -10.208 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.593 -8.873 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.176 -7.010 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.991 -7.255 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.238 -7.527 0.091 1.00 0.00 H new ATOM 893 N LYS A 63 -9.976 -12.148 2.676 1.00 0.00 N ATOM 894 CA LYS A 63 -10.059 -12.853 3.955 1.00 0.00 C ATOM 895 C LYS A 63 -9.090 -12.305 4.986 1.00 0.00 C ATOM 896 O LYS A 63 -9.202 -12.643 6.161 1.00 0.00 O ATOM 897 CB LYS A 63 -9.887 -14.367 3.762 1.00 0.00 C ATOM 898 CG LYS A 63 -8.700 -14.812 2.900 1.00 0.00 C ATOM 899 CD LYS A 63 -7.324 -14.366 3.419 1.00 0.00 C ATOM 900 CE LYS A 63 -6.207 -15.278 2.893 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.237 -15.739 3.901 1.00 0.00 N ATOM 0 H LYS A 63 -9.658 -12.743 1.911 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.059 -12.676 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.788 -14.828 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.800 -14.761 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.710 -15.899 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.836 -14.423 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.132 -13.338 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.323 -14.378 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.664 -16.151 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.666 -14.746 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.526 -16.347 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.766 -14.917 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.733 -16.279 4.639 1.00 0.00 H new ATOM 915 N LYS A 64 -8.116 -11.505 4.558 1.00 0.00 N ATOM 916 CA LYS A 64 -7.188 -10.834 5.442 1.00 0.00 C ATOM 917 C LYS A 64 -7.807 -9.540 5.924 1.00 0.00 C ATOM 918 O LYS A 64 -7.771 -9.248 7.114 1.00 0.00 O ATOM 919 CB LYS A 64 -5.892 -10.553 4.679 1.00 0.00 C ATOM 920 CG LYS A 64 -4.940 -11.756 4.731 1.00 0.00 C ATOM 921 CD LYS A 64 -3.919 -11.583 5.875 1.00 0.00 C ATOM 922 CE LYS A 64 -2.605 -12.341 5.683 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.743 -11.737 4.649 1.00 0.00 N ATOM 0 H LYS A 64 -7.954 -11.307 3.571 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.966 -11.461 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.123 -10.315 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.400 -9.679 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.510 -12.673 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.417 -11.856 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.697 -10.522 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.379 -11.912 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.065 -12.368 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.823 -13.374 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.668 -12.384 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.157 -10.836 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.796 -11.565 5.044 1.00 0.00 H new ATOM 937 N LEU A 65 -8.303 -8.728 4.991 1.00 0.00 N ATOM 938 CA LEU A 65 -8.728 -7.372 5.294 1.00 0.00 C ATOM 939 C LEU A 65 -9.867 -7.391 6.305 1.00 0.00 C ATOM 940 O LEU A 65 -9.850 -6.603 7.246 1.00 0.00 O ATOM 941 CB LEU A 65 -9.121 -6.615 4.016 1.00 0.00 C ATOM 942 CG LEU A 65 -7.940 -6.173 3.125 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.320 -7.304 2.292 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.421 -5.071 2.183 1.00 0.00 C ATOM 0 H LEU A 65 -8.419 -8.994 4.013 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.889 -6.837 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.783 -7.249 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.694 -5.731 4.298 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.158 -5.824 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.498 -6.908 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.944 -8.082 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.077 -7.726 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.596 -4.750 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.231 -5.452 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.780 -4.224 2.767 1.00 0.00 H new ATOM 956 N SER A 66 -10.801 -8.333 6.198 1.00 0.00 N ATOM 957 CA SER A 66 -11.976 -8.386 7.063 1.00 0.00 C ATOM 958 C SER A 66 -11.701 -8.605 8.561 1.00 0.00 C ATOM 959 O SER A 66 -12.658 -8.624 9.333 1.00 0.00 O ATOM 960 CB SER A 66 -12.920 -9.467 6.530 1.00 0.00 C ATOM 961 OG SER A 66 -13.090 -9.277 5.135 1.00 0.00 O ATOM 0 H SER A 66 -10.764 -9.083 5.507 1.00 0.00 H new ATOM 0 HA SER A 66 -12.424 -7.393 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.511 -10.457 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.882 -9.412 7.039 1.00 0.00 H new ATOM 0 HG SER A 66 -13.692 -9.965 4.782 1.00 0.00 H new ATOM 967 N LEU A 67 -10.450 -8.744 9.004 1.00 0.00 N ATOM 968 CA LEU A 67 -10.050 -8.788 10.409 1.00 0.00 C ATOM 969 C LEU A 67 -8.943 -7.778 10.750 1.00 0.00 C ATOM 970 O LEU A 67 -8.303 -7.895 11.796 1.00 0.00 O ATOM 971 CB LEU A 67 -9.653 -10.216 10.793 1.00 0.00 C ATOM 972 CG LEU A 67 -8.388 -10.710 10.067 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.323 -11.205 11.044 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.742 -11.813 9.068 1.00 0.00 C ATOM 0 H LEU A 67 -9.658 -8.832 8.368 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.912 -8.488 11.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.488 -10.263 11.869 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.480 -10.889 10.567 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.970 -9.859 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.449 -11.544 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.036 -10.393 11.712 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.723 -12.032 11.630 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.837 -12.151 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.197 -12.651 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.445 -11.424 8.331 1.00 0.00 H new ATOM 986 N LYS A 68 -8.633 -6.840 9.849 1.00 0.00 N ATOM 987 CA LYS A 68 -7.451 -5.982 9.896 1.00 0.00 C ATOM 988 C LYS A 68 -7.759 -4.491 10.022 1.00 0.00 C ATOM 989 O LYS A 68 -6.811 -3.709 10.172 1.00 0.00 O ATOM 990 CB LYS A 68 -6.614 -6.272 8.635 1.00 0.00 C ATOM 991 CG LYS A 68 -5.266 -6.915 8.943 1.00 0.00 C ATOM 992 CD LYS A 68 -5.411 -8.282 9.609 1.00 0.00 C ATOM 993 CE LYS A 68 -4.015 -8.859 9.807 1.00 0.00 C ATOM 994 NZ LYS A 68 -4.036 -10.041 10.681 1.00 0.00 N ATOM 0 H LYS A 68 -9.222 -6.653 9.038 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.898 -6.219 10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.180 -6.929 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.450 -5.340 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.698 -7.023 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.692 -6.256 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.924 -8.187 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.014 -8.946 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.592 -9.129 8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.364 -8.098 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.067 -10.265 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.625 -9.845 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.431 -10.850 10.161 1.00 0.00 H new ATOM 1008 N PHE A 69 -9.031 -4.090 9.933 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.437 -2.686 9.936 1.00 0.00 C ATOM 1010 C PHE A 69 -10.503 -2.480 11.000 1.00 0.00 C ATOM 1011 O PHE A 69 -11.322 -3.369 11.233 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.964 -2.252 8.558 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.959 -2.348 7.434 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.583 -3.603 6.931 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.409 -1.186 6.880 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.627 -3.712 5.917 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.490 -1.293 5.824 1.00 0.00 C ATOM 1018 CZ PHE A 69 -7.089 -2.553 5.350 1.00 0.00 C ATOM 0 H PHE A 69 -9.814 -4.740 9.856 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.567 -2.069 10.161 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.829 -2.866 8.306 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.313 -1.222 8.627 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.038 -4.496 7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.689 -0.215 7.262 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.306 -4.685 5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.088 -0.398 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.367 -2.626 4.550 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.512 -1.311 11.637 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.493 -0.986 12.677 1.00 0.00 C ATOM 1030 C LYS A 70 -12.778 -0.400 12.126 1.00 0.00 C ATOM 1031 O LYS A 70 -13.841 -0.559 12.727 1.00 0.00 O ATOM 1032 CB LYS A 70 -10.926 -0.120 13.808 1.00 0.00 C ATOM 1033 CG LYS A 70 -10.120 0.996 13.181 1.00 0.00 C ATOM 1034 CD LYS A 70 -9.974 2.284 13.990 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.347 2.937 14.190 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.261 4.321 14.689 1.00 0.00 N ATOM 0 H LYS A 70 -9.844 -0.563 11.450 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.746 -1.950 13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.733 0.288 14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.299 -0.718 14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.121 0.615 12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.576 1.247 12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.522 2.066 14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.306 2.974 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.887 2.931 13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.928 2.339 14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.219 4.709 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.772 4.329 15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.732 4.903 14.009 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.688 0.280 10.992 1.00 0.00 N ATOM 1051 CA ASP A 71 -13.806 0.966 10.378 1.00 0.00 C ATOM 1052 C ASP A 71 -13.605 0.927 8.874 1.00 0.00 C ATOM 1053 O ASP A 71 -13.257 1.945 8.282 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.868 2.394 10.927 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.097 3.155 10.433 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.745 2.730 9.460 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.448 4.159 11.089 1.00 0.00 O ATOM 0 H ASP A 71 -11.818 0.369 10.467 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.758 0.488 10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.878 2.361 12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.968 2.933 10.632 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.720 -0.242 8.226 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.508 -0.318 6.788 1.00 0.00 C ATOM 1064 C PRO A 72 -14.608 0.456 6.045 1.00 0.00 C ATOM 1065 O PRO A 72 -14.344 1.031 4.990 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.489 -1.809 6.467 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.405 -2.395 7.524 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.124 -1.535 8.767 1.00 0.00 C ATOM 0 HA PRO A 72 -12.576 0.145 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.854 -2.010 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.483 -2.223 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.451 -2.336 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.185 -3.447 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.009 -1.444 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.338 -1.971 9.384 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.824 0.493 6.605 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.004 1.092 5.999 1.00 0.00 C ATOM 1078 C GLU A 73 -16.828 2.585 5.743 1.00 0.00 C ATOM 1079 O GLU A 73 -17.394 3.054 4.761 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.262 0.814 6.841 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.174 1.365 8.271 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.444 1.206 9.106 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.176 0.202 8.942 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -19.657 2.065 9.991 1.00 0.00 O ATOM 0 H GLU A 73 -16.012 0.091 7.523 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.137 0.619 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.127 1.252 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.431 -0.262 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.354 0.865 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.921 2.424 8.221 1.00 0.00 H new ATOM 1091 N ASN A 74 -16.013 3.302 6.530 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.703 4.719 6.317 1.00 0.00 C ATOM 1093 C ASN A 74 -14.209 4.969 6.084 1.00 0.00 C ATOM 1094 O ASN A 74 -13.817 6.111 5.842 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.268 5.584 7.457 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.735 5.912 7.216 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.083 6.456 6.170 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.621 5.608 8.142 1.00 0.00 N ATOM 0 H ASN A 74 -15.544 2.905 7.345 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.200 5.022 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.160 5.058 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.694 6.507 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.607 5.824 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.321 5.157 9.006 1.00 0.00 H new ATOM 1105 N THR A 75 -13.358 3.943 6.121 1.00 0.00 N ATOM 1106 CA THR A 75 -11.942 4.075 5.794 1.00 0.00 C ATOM 1107 C THR A 75 -11.752 4.362 4.302 1.00 0.00 C ATOM 1108 O THR A 75 -12.496 3.856 3.457 1.00 0.00 O ATOM 1109 CB THR A 75 -11.210 2.799 6.243 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.982 2.895 7.629 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.863 2.494 5.587 1.00 0.00 C ATOM 0 H THR A 75 -13.634 2.996 6.379 1.00 0.00 H new ATOM 0 HA THR A 75 -11.513 4.924 6.325 1.00 0.00 H new ATOM 0 HB THR A 75 -11.869 1.987 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.775 2.583 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.460 1.568 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.999 2.386 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.169 3.311 5.785 1.00 0.00 H new ATOM 1119 N THR A 76 -10.696 5.113 3.977 1.00 0.00 N ATOM 1120 CA THR A 76 -10.242 5.362 2.615 1.00 0.00 C ATOM 1121 C THR A 76 -8.905 4.636 2.430 1.00 0.00 C ATOM 1122 O THR A 76 -7.869 5.110 2.894 1.00 0.00 O ATOM 1123 CB THR A 76 -10.170 6.876 2.356 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.332 7.518 2.846 1.00 0.00 O ATOM 1125 CG2 THR A 76 -10.031 7.199 0.866 1.00 0.00 C ATOM 0 H THR A 76 -10.119 5.576 4.679 1.00 0.00 H new ATOM 0 HA THR A 76 -10.940 4.972 1.874 1.00 0.00 H new ATOM 0 HB THR A 76 -9.285 7.240 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.154 7.879 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.984 8.280 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.119 6.745 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.891 6.803 0.326 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.907 3.433 1.853 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.687 2.652 1.670 1.00 0.00 C ATOM 1135 C LEU A 77 -6.855 3.233 0.519 1.00 0.00 C ATOM 1136 O LEU A 77 -7.418 3.711 -0.468 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.047 1.167 1.414 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.396 0.197 2.407 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.764 -1.244 2.038 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.872 0.329 2.400 1.00 0.00 C ATOM 0 H LEU A 77 -9.749 2.977 1.502 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.084 2.704 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.130 1.051 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.742 0.897 0.403 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.765 0.444 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.300 -1.931 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.847 -1.363 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.408 -1.464 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.443 -0.373 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.492 0.108 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.594 1.346 2.678 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.528 3.088 0.566 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.597 3.452 -0.503 1.00 0.00 C ATOM 1154 C TYR A 78 -3.602 2.294 -0.688 1.00 0.00 C ATOM 1155 O TYR A 78 -2.746 2.070 0.173 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.866 4.773 -0.184 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.732 6.015 -0.012 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.466 6.196 1.174 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.800 7.002 -1.017 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.306 7.306 1.341 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.642 8.122 -0.858 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.410 8.268 0.320 1.00 0.00 C ATOM 1163 OH TYR A 78 -7.257 9.322 0.483 1.00 0.00 O ATOM 0 H TYR A 78 -5.055 2.699 1.382 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.147 3.617 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.291 4.630 0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.150 4.966 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.381 5.469 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.205 6.900 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.873 7.422 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.700 8.868 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.331 9.538 1.436 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.691 1.530 -1.778 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.835 0.356 -2.010 1.00 0.00 C ATOM 1175 C ILE A 79 -1.452 0.763 -2.519 1.00 0.00 C ATOM 1176 O ILE A 79 -1.337 1.760 -3.230 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.567 -0.576 -2.985 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.762 -1.178 -2.209 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.723 -1.720 -3.560 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.027 -1.057 -3.026 1.00 0.00 C ATOM 0 H ILE A 79 -4.359 1.705 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.657 -0.172 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.856 0.022 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.566 -2.226 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.884 -0.662 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.334 -2.318 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.875 -1.307 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.360 -2.349 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.862 -1.484 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.228 -0.006 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.905 -1.594 -3.967 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.413 -0.011 -2.184 1.00 0.00 N ATOM 1193 CA LEU A 80 0.985 0.242 -2.533 1.00 0.00 C ATOM 1194 C LEU A 80 1.593 -1.036 -3.136 1.00 0.00 C ATOM 1195 O LEU A 80 1.784 -2.015 -2.410 1.00 0.00 O ATOM 1196 CB LEU A 80 1.742 0.746 -1.279 1.00 0.00 C ATOM 1197 CG LEU A 80 2.936 1.682 -1.554 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.815 1.783 -0.292 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.842 1.223 -2.681 1.00 0.00 C ATOM 0 H LEU A 80 -0.531 -0.866 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 80 1.068 1.023 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.035 1.268 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.102 -0.119 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 80 2.492 2.635 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.658 2.445 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.224 2.183 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.185 0.793 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.655 1.937 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.254 0.243 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.268 1.158 -3.606 1.00 0.00 H new ATOM 1211 N ASP A 81 1.855 -1.044 -4.449 1.00 0.00 N ATOM 1212 CA ASP A 81 2.565 -2.104 -5.181 1.00 0.00 C ATOM 1213 C ASP A 81 4.067 -1.794 -5.309 1.00 0.00 C ATOM 1214 O ASP A 81 4.552 -0.760 -4.875 1.00 0.00 O ATOM 1215 CB ASP A 81 1.935 -2.325 -6.575 1.00 0.00 C ATOM 1216 CG ASP A 81 2.529 -3.565 -7.236 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.271 -4.680 -6.751 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.386 -3.433 -8.143 1.00 0.00 O ATOM 0 H ASP A 81 1.566 -0.279 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 81 2.464 -3.024 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.855 -2.438 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.110 -1.451 -7.203 1.00 0.00 H new ATOM 1223 N LYS A 82 4.849 -2.707 -5.876 1.00 0.00 N ATOM 1224 CA LYS A 82 6.244 -2.576 -6.276 1.00 0.00 C ATOM 1225 C LYS A 82 6.386 -1.539 -7.388 1.00 0.00 C ATOM 1226 O LYS A 82 7.222 -0.647 -7.233 1.00 0.00 O ATOM 1227 CB LYS A 82 6.740 -3.974 -6.712 1.00 0.00 C ATOM 1228 CG LYS A 82 6.326 -5.094 -5.731 1.00 0.00 C ATOM 1229 CD LYS A 82 7.229 -6.325 -5.656 1.00 0.00 C ATOM 1230 CE LYS A 82 7.600 -7.001 -6.968 1.00 0.00 C ATOM 1231 NZ LYS A 82 6.419 -7.427 -7.751 1.00 0.00 N ATOM 0 H LYS A 82 4.490 -3.639 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 82 6.856 -2.221 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.345 -4.201 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.826 -3.957 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.261 -4.662 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.324 -5.426 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.152 -6.036 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.739 -7.064 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.199 -6.315 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.224 -7.870 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.732 -7.880 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.859 -8.103 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.835 -6.597 -7.977 1.00 0.00 H new ATOM 1245 N PHE A 83 5.620 -1.642 -8.478 1.00 0.00 N ATOM 1246 CA PHE A 83 5.676 -0.741 -9.617 1.00 0.00 C ATOM 1247 C PHE A 83 4.264 -0.461 -10.131 1.00 0.00 C ATOM 1248 O PHE A 83 3.889 0.697 -10.316 1.00 0.00 O ATOM 1249 CB PHE A 83 6.560 -1.352 -10.722 1.00 0.00 C ATOM 1250 CG PHE A 83 7.170 -0.339 -11.677 1.00 0.00 C ATOM 1251 CD1 PHE A 83 6.347 0.517 -12.425 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.566 -0.248 -11.827 1.00 0.00 C ATOM 1253 CE1 PHE A 83 6.903 1.469 -13.296 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.129 0.709 -12.688 1.00 0.00 C ATOM 1255 CZ PHE A 83 8.297 1.566 -13.429 1.00 0.00 C ATOM 0 H PHE A 83 4.925 -2.380 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 83 6.118 0.207 -9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.364 -1.920 -10.253 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.963 -2.060 -11.297 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.274 0.443 -12.330 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.209 -0.918 -11.276 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.259 2.125 -13.862 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.202 0.786 -12.781 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.728 2.296 -14.098 1.00 0.00 H new ATOM 1265 N ASP A 84 3.508 -1.512 -10.458 1.00 0.00 N ATOM 1266 CA ASP A 84 2.194 -1.437 -11.098 1.00 0.00 C ATOM 1267 C ASP A 84 1.339 -2.475 -10.387 1.00 0.00 C ATOM 1268 O ASP A 84 0.414 -2.142 -9.636 1.00 0.00 O ATOM 1269 CB ASP A 84 2.232 -1.757 -12.615 1.00 0.00 C ATOM 1270 CG ASP A 84 3.185 -0.917 -13.448 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.873 0.263 -13.726 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.227 -1.459 -13.886 1.00 0.00 O ATOM 0 H ASP A 84 3.805 -2.471 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 84 1.805 -0.422 -11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.501 -2.806 -12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.226 -1.636 -13.017 1.00 0.00 H new ATOM 1277 N GLY A 85 1.712 -3.743 -10.591 1.00 0.00 N ATOM 1278 CA GLY A 85 1.093 -4.910 -10.021 1.00 0.00 C ATOM 1279 C GLY A 85 -0.339 -4.955 -10.501 1.00 0.00 C ATOM 1280 O GLY A 85 -0.613 -5.151 -11.686 1.00 0.00 O ATOM 0 H GLY A 85 2.500 -3.979 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.626 -5.811 -10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.130 -4.869 -8.932 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.246 -4.730 -9.559 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.677 -4.586 -9.770 1.00 0.00 C ATOM 1286 C ASN A 86 -3.207 -3.568 -8.763 1.00 0.00 C ATOM 1287 O ASN A 86 -4.344 -3.679 -8.326 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.350 -5.958 -9.648 1.00 0.00 C ATOM 1289 CG ASN A 86 -3.031 -6.862 -10.826 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.275 -7.818 -10.693 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.566 -6.569 -11.997 1.00 0.00 N ATOM 0 H ASN A 86 -0.988 -4.639 -8.577 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.901 -4.216 -10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.025 -6.439 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.430 -5.826 -9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.353 -7.143 -12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.193 -5.769 -12.086 1.00 0.00 H new ATOM 1298 N SER A 87 -2.387 -2.604 -8.338 1.00 0.00 N ATOM 1299 CA SER A 87 -2.743 -1.604 -7.332 1.00 0.00 C ATOM 1300 C SER A 87 -4.111 -0.973 -7.635 1.00 0.00 C ATOM 1301 O SER A 87 -5.018 -1.006 -6.802 1.00 0.00 O ATOM 1302 CB SER A 87 -1.616 -0.561 -7.260 1.00 0.00 C ATOM 1303 OG SER A 87 -1.237 -0.140 -8.563 1.00 0.00 O ATOM 0 H SER A 87 -1.437 -2.496 -8.692 1.00 0.00 H new ATOM 0 HA SER A 87 -2.844 -2.076 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.946 0.298 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.754 -0.985 -6.744 1.00 0.00 H new ATOM 0 HG SER A 87 -0.570 -0.759 -8.926 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.276 -0.477 -8.864 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.488 0.165 -9.362 1.00 0.00 C ATOM 1311 C GLU A 88 -6.674 -0.804 -9.480 1.00 0.00 C ATOM 1312 O GLU A 88 -7.809 -0.345 -9.547 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.198 0.820 -10.727 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.160 1.950 -10.611 1.00 0.00 C ATOM 1315 CD GLU A 88 -3.832 2.641 -11.939 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.719 1.965 -12.992 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.633 3.879 -11.930 1.00 0.00 O ATOM 0 H GLU A 88 -3.536 -0.515 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.777 0.923 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.835 0.064 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.124 1.218 -11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.529 2.696 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.241 1.542 -10.190 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.444 -2.120 -9.532 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.482 -3.155 -9.511 1.00 0.00 C ATOM 1326 C LEU A 89 -7.991 -3.300 -8.083 1.00 0.00 C ATOM 1327 O LEU A 89 -9.185 -3.279 -7.814 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.883 -4.498 -9.972 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.838 -5.594 -10.459 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.863 -6.053 -9.426 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.539 -5.202 -11.764 1.00 0.00 C ATOM 0 H LEU A 89 -5.502 -2.506 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.297 -2.876 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.180 -4.288 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.305 -4.906 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.190 -6.451 -10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.494 -6.829 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.346 -6.451 -8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.482 -5.207 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.206 -6.006 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.117 -4.291 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.793 -5.030 -12.540 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.068 -3.465 -7.142 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.405 -3.740 -5.759 1.00 0.00 C ATOM 1345 C VAL A 90 -8.110 -2.523 -5.144 1.00 0.00 C ATOM 1346 O VAL A 90 -8.980 -2.688 -4.283 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.109 -4.176 -5.044 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.318 -4.569 -3.579 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.493 -5.411 -5.705 1.00 0.00 C ATOM 0 H VAL A 90 -6.065 -3.411 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.120 -4.556 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.465 -3.299 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.364 -4.864 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.722 -3.720 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.017 -5.404 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.582 -5.690 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.203 -6.237 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.255 -5.186 -6.745 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.798 -1.314 -5.627 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.470 -0.083 -5.244 1.00 0.00 C ATOM 1361 C ALA A 91 -9.964 -0.187 -5.560 1.00 0.00 C ATOM 1362 O ALA A 91 -10.805 0.232 -4.769 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.825 1.088 -5.992 1.00 0.00 C ATOM 0 H ALA A 91 -7.054 -1.170 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.366 0.085 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.322 2.017 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.768 1.149 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.925 0.933 -7.066 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.305 -0.761 -6.713 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.681 -0.943 -7.156 1.00 0.00 C ATOM 1371 C GLU A 92 -12.208 -2.328 -6.776 1.00 0.00 C ATOM 1372 O GLU A 92 -13.216 -2.777 -7.319 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.811 -0.650 -8.657 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.038 -1.645 -9.535 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.259 -1.450 -11.025 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.360 -1.007 -11.414 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -10.368 -1.812 -11.825 1.00 0.00 O ATOM 0 H GLU A 92 -9.617 -1.118 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.311 -0.222 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.865 -0.672 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.449 0.359 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.973 -1.553 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.332 -2.659 -9.263 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.564 -3.007 -5.826 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.077 -4.237 -5.250 1.00 0.00 C ATOM 1386 C LEU A 93 -12.585 -3.939 -3.850 1.00 0.00 C ATOM 1387 O LEU A 93 -13.731 -4.265 -3.563 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.989 -5.326 -5.271 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.480 -6.706 -4.793 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.469 -7.334 -5.782 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.277 -7.646 -4.629 1.00 0.00 C ATOM 0 H LEU A 93 -10.668 -2.713 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.910 -4.623 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.602 -5.420 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.158 -5.008 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.993 -6.565 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.791 -8.306 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.336 -6.683 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.984 -7.461 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.622 -8.623 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.766 -7.753 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.588 -7.230 -3.894 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.780 -3.325 -2.976 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.176 -3.132 -1.578 1.00 0.00 C ATOM 1405 C VAL A 94 -13.436 -2.279 -1.434 1.00 0.00 C ATOM 1406 O VAL A 94 -14.350 -2.681 -0.715 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.022 -2.595 -0.714 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.926 -3.659 -0.608 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.397 -1.288 -1.213 1.00 0.00 C ATOM 0 H VAL A 94 -10.858 -2.956 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.426 -4.122 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.465 -2.369 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.108 -3.279 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.335 -4.559 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.553 -3.898 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.593 -0.989 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.995 -1.436 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.158 -0.508 -1.239 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.509 -1.138 -2.130 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.683 -0.276 -2.084 1.00 0.00 C ATOM 1421 C ALA A 95 -15.909 -1.069 -2.554 1.00 0.00 C ATOM 1422 O ALA A 95 -16.932 -1.128 -1.876 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.437 0.959 -2.960 1.00 0.00 C ATOM 0 H ALA A 95 -12.762 -0.794 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.870 0.064 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.313 1.607 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.569 1.503 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.254 0.645 -3.988 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.749 -1.765 -3.683 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.737 -2.629 -4.318 1.00 0.00 C ATOM 1431 C LEU A 96 -17.048 -3.892 -3.489 1.00 0.00 C ATOM 1432 O LEU A 96 -17.834 -4.720 -3.950 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.256 -2.979 -5.750 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.563 -1.880 -6.793 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.744 -0.589 -6.649 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.387 -2.366 -8.237 1.00 0.00 C ATOM 0 H LEU A 96 -14.874 -1.736 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.681 -2.087 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.181 -3.158 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.728 -3.909 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.607 -1.649 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.036 0.116 -7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.931 -0.147 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.683 -0.819 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.616 -1.552 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.358 -2.691 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.062 -3.201 -8.425 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.451 -4.057 -2.300 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.638 -5.165 -1.360 1.00 0.00 C ATOM 1450 C ASN A 97 -16.966 -4.643 0.048 1.00 0.00 C ATOM 1451 O ASN A 97 -16.808 -5.376 1.028 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.411 -6.101 -1.363 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.493 -7.094 -2.508 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.923 -8.231 -2.344 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.111 -6.692 -3.707 1.00 0.00 N ATOM 0 H ASN A 97 -15.781 -3.373 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.493 -5.755 -1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.499 -5.511 -1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.354 -6.636 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.173 -7.328 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.754 -5.745 -3.838 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.411 -3.390 0.186 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.971 -2.900 1.440 1.00 0.00 C ATOM 1464 C GLY A 98 -16.973 -2.142 2.315 1.00 0.00 C ATOM 1465 O GLY A 98 -17.143 -2.108 3.539 1.00 0.00 O ATOM 0 H GLY A 98 -17.392 -2.697 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.814 -2.245 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.364 -3.745 2.005 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.935 -1.550 1.722 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.260 -0.374 2.279 1.00 0.00 C ATOM 1471 C PHE A 99 -15.890 0.881 1.638 1.00 0.00 C ATOM 1472 O PHE A 99 -16.700 0.752 0.721 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.759 -0.420 1.940 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.874 -1.328 2.781 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -13.066 -2.724 2.810 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.815 -0.763 3.519 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.234 -3.537 3.606 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.971 -1.575 4.294 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.190 -2.962 4.352 1.00 0.00 C ATOM 0 H PHE A 99 -15.537 -1.872 0.840 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.374 -0.354 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.659 -0.725 0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.367 0.594 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.853 -3.172 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.651 0.304 3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.399 -4.604 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.154 -1.134 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.558 -3.585 4.968 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.503 2.094 2.064 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.029 3.348 1.497 1.00 0.00 C ATOM 1491 C LYS A 100 -15.570 3.545 0.048 1.00 0.00 C ATOM 1492 O LYS A 100 -16.320 3.284 -0.892 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.653 4.562 2.380 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.288 5.906 1.969 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.820 5.897 1.845 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.492 5.631 3.196 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.900 5.211 3.058 1.00 0.00 N ATOM 0 H LYS A 100 -14.820 2.234 2.808 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.116 3.273 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.941 4.344 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.569 4.674 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.003 6.662 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.864 6.212 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.160 6.855 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.124 5.132 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.937 4.858 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.444 6.534 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.307 5.044 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.439 5.958 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.948 4.334 2.500 1.00 0.00 H new ATOM 1511 N SER A 101 -14.352 4.047 -0.129 1.00 0.00 N ATOM 1512 CA SER A 101 -13.743 4.435 -1.393 1.00 0.00 C ATOM 1513 C SER A 101 -12.254 4.161 -1.272 1.00 0.00 C ATOM 1514 O SER A 101 -11.739 4.118 -0.151 1.00 0.00 O ATOM 1515 CB SER A 101 -13.963 5.929 -1.646 1.00 0.00 C ATOM 1516 OG SER A 101 -15.349 6.220 -1.629 1.00 0.00 O ATOM 0 H SER A 101 -13.724 4.203 0.660 1.00 0.00 H new ATOM 0 HA SER A 101 -14.184 3.877 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.450 6.516 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.535 6.211 -2.608 1.00 0.00 H new ATOM 0 HG SER A 101 -15.484 7.177 -1.790 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.550 3.941 -2.376 1.00 0.00 N ATOM 1523 CA ALA A 102 -10.177 3.474 -2.317 1.00 0.00 C ATOM 1524 C ALA A 102 -9.369 3.958 -3.514 1.00 0.00 C ATOM 1525 O ALA A 102 -9.905 4.292 -4.566 1.00 0.00 O ATOM 1526 CB ALA A 102 -10.191 1.949 -2.197 1.00 0.00 C ATOM 0 H ALA A 102 -11.910 4.079 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.680 3.892 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.167 1.578 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.722 1.660 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.694 1.520 -3.064 1.00 0.00 H new ATOM 1532 N TYR A 103 -8.056 4.013 -3.312 1.00 0.00 N ATOM 1533 CA TYR A 103 -7.064 4.638 -4.172 1.00 0.00 C ATOM 1534 C TYR A 103 -5.877 3.696 -4.369 1.00 0.00 C ATOM 1535 O TYR A 103 -5.740 2.677 -3.688 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.581 5.925 -3.487 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.370 7.173 -3.806 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.664 7.348 -3.285 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.793 8.175 -4.609 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.396 8.504 -3.592 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.504 9.349 -4.891 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.816 9.514 -4.391 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.509 10.655 -4.649 1.00 0.00 O ATOM 0 H TYR A 103 -7.631 3.592 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.502 4.861 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.602 5.770 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.541 6.094 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.095 6.591 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.799 8.038 -5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.402 8.622 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.051 10.126 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.967 11.247 -5.212 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.972 4.075 -5.262 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.676 3.452 -5.458 1.00 0.00 C ATOM 1555 C ALA A 104 -2.627 4.567 -5.590 1.00 0.00 C ATOM 1556 O ALA A 104 -2.959 5.760 -5.595 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.769 2.520 -6.675 1.00 0.00 C ATOM 0 H ALA A 104 -5.131 4.859 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.369 2.831 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.804 2.041 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.526 1.758 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.042 3.099 -7.557 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.364 4.175 -5.716 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.220 5.052 -5.971 1.00 0.00 C ATOM 1565 C ILE A 105 0.425 4.553 -7.269 1.00 0.00 C ATOM 1566 O ILE A 105 0.761 3.366 -7.355 1.00 0.00 O ATOM 1567 CB ILE A 105 0.762 5.116 -4.757 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.228 5.296 -5.194 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.660 3.960 -3.766 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.196 5.625 -4.059 1.00 0.00 C ATOM 0 H ILE A 105 -1.094 3.194 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.534 6.089 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 105 0.428 6.004 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.562 4.382 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.276 6.092 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.384 4.103 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.345 3.929 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.868 3.021 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.204 5.734 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.893 6.557 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.183 4.820 -3.325 1.00 0.00 H new ATOM 1582 N LYS A 106 0.603 5.436 -8.260 1.00 0.00 N ATOM 1583 CA LYS A 106 1.397 5.115 -9.447 1.00 0.00 C ATOM 1584 C LYS A 106 2.850 4.855 -9.067 1.00 0.00 C ATOM 1585 O LYS A 106 3.316 5.346 -8.044 1.00 0.00 O ATOM 1586 CB LYS A 106 1.348 6.272 -10.462 1.00 0.00 C ATOM 1587 CG LYS A 106 1.185 5.773 -11.917 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.221 5.180 -12.158 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.386 4.337 -13.424 1.00 0.00 C ATOM 1590 NZ LYS A 106 -0.718 5.119 -14.629 1.00 0.00 N ATOM 0 H LYS A 106 0.207 6.376 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 106 0.972 4.218 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.520 6.935 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.262 6.860 -10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.356 6.599 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.941 5.018 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.486 4.564 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.938 6.000 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.538 3.787 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.170 3.598 -13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.813 4.479 -15.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.615 5.624 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.039 5.807 -14.816 1.00 0.00 H new ATOM 1604 N ASP A 107 3.568 4.110 -9.902 1.00 0.00 N ATOM 1605 CA ASP A 107 4.970 3.710 -9.735 1.00 0.00 C ATOM 1606 C ASP A 107 5.203 2.856 -8.474 1.00 0.00 C ATOM 1607 O ASP A 107 6.321 2.390 -8.247 1.00 0.00 O ATOM 1608 CB ASP A 107 5.934 4.913 -9.726 1.00 0.00 C ATOM 1609 CG ASP A 107 5.925 5.887 -10.899 1.00 0.00 C ATOM 1610 OD1 ASP A 107 5.069 5.835 -11.807 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.795 6.795 -10.870 1.00 0.00 O ATOM 0 H ASP A 107 3.167 3.745 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 107 5.190 3.097 -10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.732 5.488 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.947 4.520 -9.634 1.00 0.00 H new ATOM 1616 N GLY A 108 4.177 2.593 -7.657 1.00 0.00 N ATOM 1617 CA GLY A 108 4.286 1.818 -6.435 1.00 0.00 C ATOM 1618 C GLY A 108 5.372 2.370 -5.512 1.00 0.00 C ATOM 1619 O GLY A 108 5.442 3.577 -5.274 1.00 0.00 O ATOM 0 H GLY A 108 3.230 2.925 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.328 1.823 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.510 0.780 -6.681 1.00 0.00 H new ATOM 1623 N ALA A 109 6.199 1.489 -4.951 1.00 0.00 N ATOM 1624 CA ALA A 109 7.276 1.841 -4.047 1.00 0.00 C ATOM 1625 C ALA A 109 8.552 2.106 -4.825 1.00 0.00 C ATOM 1626 O ALA A 109 9.194 3.124 -4.588 1.00 0.00 O ATOM 1627 CB ALA A 109 7.519 0.729 -3.017 1.00 0.00 C ATOM 0 H ALA A 109 6.131 0.486 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 109 6.984 2.747 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.332 1.020 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.612 0.569 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.785 -0.193 -3.533 1.00 0.00 H new ATOM 1633 N GLU A 110 8.948 1.145 -5.660 1.00 0.00 N ATOM 1634 CA GLU A 110 10.286 1.062 -6.233 1.00 0.00 C ATOM 1635 C GLU A 110 10.349 1.697 -7.632 1.00 0.00 C ATOM 1636 O GLU A 110 11.427 1.782 -8.228 1.00 0.00 O ATOM 1637 CB GLU A 110 10.775 -0.405 -6.208 1.00 0.00 C ATOM 1638 CG GLU A 110 11.586 -0.771 -4.950 1.00 0.00 C ATOM 1639 CD GLU A 110 13.016 -0.195 -4.921 1.00 0.00 C ATOM 1640 OE1 GLU A 110 13.392 0.587 -5.818 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.831 -0.604 -4.060 1.00 0.00 O ATOM 0 H GLU A 110 8.333 0.389 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 110 10.972 1.648 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.912 -1.067 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.389 -0.588 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.048 -0.418 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 110 11.644 -1.857 -4.873 1.00 0.00 H new ATOM 1648 N GLY A 111 9.213 2.128 -8.195 1.00 0.00 N ATOM 1649 CA GLY A 111 9.161 2.784 -9.497 1.00 0.00 C ATOM 1650 C GLY A 111 9.888 4.137 -9.489 1.00 0.00 C ATOM 1651 O GLY A 111 10.314 4.624 -8.433 1.00 0.00 O ATOM 0 H GLY A 111 8.300 2.028 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.611 2.135 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.121 2.933 -9.787 1.00 0.00 H new ATOM 1655 N PRO A 112 10.078 4.761 -10.662 1.00 0.00 N ATOM 1656 CA PRO A 112 11.049 5.837 -10.824 1.00 0.00 C ATOM 1657 C PRO A 112 10.687 7.093 -10.049 1.00 0.00 C ATOM 1658 O PRO A 112 11.583 7.836 -9.652 1.00 0.00 O ATOM 1659 CB PRO A 112 11.196 6.074 -12.330 1.00 0.00 C ATOM 1660 CG PRO A 112 9.943 5.437 -12.926 1.00 0.00 C ATOM 1661 CD PRO A 112 9.611 4.309 -11.958 1.00 0.00 C ATOM 0 HA PRO A 112 12.008 5.548 -10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.253 7.137 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.103 5.613 -12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.126 6.155 -12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.126 5.059 -13.932 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.540 4.109 -11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.104 3.382 -12.251 1.00 0.00 H new ATOM 1669 N ARG A 113 9.411 7.307 -9.744 1.00 0.00 N ATOM 1670 CA ARG A 113 8.963 8.306 -8.785 1.00 0.00 C ATOM 1671 C ARG A 113 7.850 7.702 -7.930 1.00 0.00 C ATOM 1672 O ARG A 113 6.863 8.382 -7.638 1.00 0.00 O ATOM 1673 CB ARG A 113 8.539 9.560 -9.543 1.00 0.00 C ATOM 1674 CG ARG A 113 9.712 10.304 -10.193 1.00 0.00 C ATOM 1675 CD ARG A 113 9.264 11.715 -10.598 1.00 0.00 C ATOM 1676 NE ARG A 113 9.235 11.961 -12.047 1.00 0.00 N ATOM 1677 CZ ARG A 113 8.465 11.393 -12.980 1.00 0.00 C ATOM 1678 NH1 ARG A 113 7.657 10.383 -12.685 1.00 0.00 N ATOM 1679 NH2 ARG A 113 8.526 11.844 -14.219 1.00 0.00 N ATOM 0 H ARG A 113 8.646 6.780 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 113 9.761 8.602 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.821 9.284 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 113 8.026 10.234 -8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.549 10.363 -9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.063 9.757 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.268 11.895 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 113 9.932 12.440 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 113 9.893 12.662 -12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.615 10.025 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 113 7.078 9.964 -13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.154 12.614 -14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.946 11.423 -14.944 1.00 0.00 H new ATOM 1693 N GLY A 114 7.982 6.421 -7.576 1.00 0.00 N ATOM 1694 CA GLY A 114 7.124 5.794 -6.587 1.00 0.00 C ATOM 1695 C GLY A 114 7.520 6.293 -5.198 1.00 0.00 C ATOM 1696 O GLY A 114 8.275 7.256 -5.063 1.00 0.00 O ATOM 0 H GLY A 114 8.687 5.797 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.080 6.032 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.219 4.709 -6.639 1.00 0.00 H new ATOM 1700 N TRP A 115 7.026 5.635 -4.152 1.00 0.00 N ATOM 1701 CA TRP A 115 7.239 5.975 -2.746 1.00 0.00 C ATOM 1702 C TRP A 115 8.696 6.347 -2.450 1.00 0.00 C ATOM 1703 O TRP A 115 8.969 7.446 -1.954 1.00 0.00 O ATOM 1704 CB TRP A 115 6.779 4.792 -1.874 1.00 0.00 C ATOM 1705 CG TRP A 115 6.469 5.077 -0.440 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.361 5.233 0.563 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.158 5.209 0.172 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.685 5.440 1.752 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.315 5.454 1.567 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.846 5.151 -0.329 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.209 5.657 2.411 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.736 5.324 0.507 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.913 5.578 1.874 1.00 0.00 C ATOM 0 H TRP A 115 6.437 4.810 -4.267 1.00 0.00 H new ATOM 0 HA TRP A 115 6.648 6.860 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.889 4.361 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.555 4.028 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.435 5.201 0.453 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.142 5.567 2.655 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.691 4.969 -1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.354 5.871 3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.739 5.261 0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.054 5.713 2.514 1.00 0.00 H new ATOM 1724 N LEU A 116 9.621 5.431 -2.746 1.00 0.00 N ATOM 1725 CA LEU A 116 11.038 5.568 -2.411 1.00 0.00 C ATOM 1726 C LEU A 116 11.709 6.715 -3.162 1.00 0.00 C ATOM 1727 O LEU A 116 12.792 7.140 -2.770 1.00 0.00 O ATOM 1728 CB LEU A 116 11.769 4.264 -2.750 1.00 0.00 C ATOM 1729 CG LEU A 116 11.478 3.139 -1.740 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.848 1.790 -2.344 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.259 3.338 -0.439 1.00 0.00 C ATOM 0 H LEU A 116 9.402 4.561 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 116 11.097 5.786 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.475 3.936 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.842 4.451 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 116 10.413 3.167 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.639 0.999 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.261 1.622 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.909 1.782 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.030 2.526 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.328 3.341 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.977 4.289 0.013 1.00 0.00 H new ATOM 1743 N ASN A 117 11.076 7.206 -4.224 1.00 0.00 N ATOM 1744 CA ASN A 117 11.556 8.253 -5.114 1.00 0.00 C ATOM 1745 C ASN A 117 10.549 9.410 -5.146 1.00 0.00 C ATOM 1746 O ASN A 117 10.409 10.097 -6.162 1.00 0.00 O ATOM 1747 CB ASN A 117 11.842 7.662 -6.502 1.00 0.00 C ATOM 1748 CG ASN A 117 12.948 6.617 -6.469 1.00 0.00 C ATOM 1749 OD1 ASN A 117 14.015 6.855 -5.915 1.00 0.00 O ATOM 1750 ND2 ASN A 117 12.698 5.441 -7.019 1.00 0.00 N ATOM 0 H ASN A 117 10.157 6.860 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 117 12.496 8.664 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.931 7.212 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.123 8.464 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.402 4.704 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.801 5.271 -7.474 1.00 0.00 H new ATOM 1757 N SER A 118 9.846 9.643 -4.033 1.00 0.00 N ATOM 1758 CA SER A 118 8.929 10.760 -3.829 1.00 0.00 C ATOM 1759 C SER A 118 9.156 11.406 -2.450 1.00 0.00 C ATOM 1760 O SER A 118 8.263 12.107 -1.955 1.00 0.00 O ATOM 1761 CB SER A 118 7.492 10.266 -4.061 1.00 0.00 C ATOM 1762 OG SER A 118 6.566 11.339 -4.012 1.00 0.00 O ATOM 0 H SER A 118 9.905 9.031 -3.219 1.00 0.00 H new ATOM 0 HA SER A 118 9.119 11.555 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.427 9.770 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.233 9.524 -3.305 1.00 0.00 H new ATOM 0 HG SER A 118 6.777 11.919 -3.250 1.00 0.00 H new ATOM 1768 N SER A 119 10.310 11.161 -1.809 1.00 0.00 N ATOM 1769 CA SER A 119 10.624 11.594 -0.446 1.00 0.00 C ATOM 1770 C SER A 119 9.593 11.061 0.554 1.00 0.00 C ATOM 1771 O SER A 119 9.271 11.728 1.543 1.00 0.00 O ATOM 1772 CB SER A 119 10.803 13.118 -0.431 1.00 0.00 C ATOM 1773 OG SER A 119 11.581 13.595 0.650 1.00 0.00 O ATOM 0 H SER A 119 11.072 10.639 -2.243 1.00 0.00 H new ATOM 0 HA SER A 119 11.570 11.165 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.270 13.428 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.821 13.589 -0.394 1.00 0.00 H new ATOM 0 HG SER A 119 11.654 14.571 0.595 1.00 0.00 H new ATOM 1779 N LEU A 120 9.015 9.885 0.281 1.00 0.00 N ATOM 1780 CA LEU A 120 8.093 9.265 1.213 1.00 0.00 C ATOM 1781 C LEU A 120 8.863 8.338 2.151 1.00 0.00 C ATOM 1782 O LEU A 120 9.865 7.739 1.754 1.00 0.00 O ATOM 1783 CB LEU A 120 6.949 8.546 0.494 1.00 0.00 C ATOM 1784 CG LEU A 120 6.020 9.472 -0.298 1.00 0.00 C ATOM 1785 CD1 LEU A 120 4.834 8.651 -0.808 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.531 10.646 0.556 1.00 0.00 C ATOM 0 H LEU A 120 9.174 9.354 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 120 7.622 10.045 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.371 7.806 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.358 8.001 1.230 1.00 0.00 H new ATOM 0 HG LEU A 120 6.572 9.896 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.162 9.296 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.196 7.849 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.298 8.222 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.875 11.281 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.983 10.265 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.387 11.228 0.898 1.00 0.00 H new ATOM 1798 N PRO A 121 8.422 8.237 3.411 1.00 0.00 N ATOM 1799 CA PRO A 121 9.227 7.675 4.482 1.00 0.00 C ATOM 1800 C PRO A 121 9.261 6.153 4.457 1.00 0.00 C ATOM 1801 O PRO A 121 8.277 5.489 4.098 1.00 0.00 O ATOM 1802 CB PRO A 121 8.562 8.163 5.763 1.00 0.00 C ATOM 1803 CG PRO A 121 7.109 8.334 5.354 1.00 0.00 C ATOM 1804 CD PRO A 121 7.249 8.898 3.954 1.00 0.00 C ATOM 0 HA PRO A 121 10.267 7.989 4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.670 7.442 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.996 9.101 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.567 7.388 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.574 9.013 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.363 8.692 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.377 9.980 3.973 1.00 0.00 H new ATOM 1812 N TRP A 122 10.361 5.591 4.945 1.00 0.00 N ATOM 1813 CA TRP A 122 10.609 4.163 4.944 1.00 0.00 C ATOM 1814 C TRP A 122 10.966 3.725 6.358 1.00 0.00 C ATOM 1815 O TRP A 122 11.590 4.483 7.102 1.00 0.00 O ATOM 1816 CB TRP A 122 11.735 3.874 3.951 1.00 0.00 C ATOM 1817 CG TRP A 122 11.630 2.557 3.271 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.558 1.582 3.308 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.579 2.095 2.382 1.00 0.00 C ATOM 1820 NE1 TRP A 122 12.133 0.519 2.522 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.877 0.761 1.986 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.416 2.690 1.849 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.991 0.033 1.173 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.551 1.977 1.001 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.825 0.639 0.681 1.00 0.00 C ATOM 0 H TRP A 122 11.119 6.132 5.361 1.00 0.00 H new ATOM 0 HA TRP A 122 9.727 3.602 4.635 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.747 4.660 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.688 3.923 4.477 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.485 1.621 3.861 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.675 -0.330 2.360 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.185 3.715 2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 10.208 -0.996 0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.674 2.460 0.595 1.00 0.00 H new ATOM 0 HH2 TRP A 122 8.142 0.078 0.059 1.00 0.00 H new ATOM 1836 N ILE A 123 10.572 2.514 6.755 1.00 0.00 N ATOM 1837 CA ILE A 123 11.149 1.871 7.923 1.00 0.00 C ATOM 1838 C ILE A 123 12.532 1.377 7.510 1.00 0.00 C ATOM 1839 O ILE A 123 13.479 1.750 8.191 1.00 0.00 O ATOM 1840 CB ILE A 123 10.234 0.771 8.520 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.900 1.351 9.072 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.996 -0.007 9.610 1.00 0.00 C ATOM 1843 CD1 ILE A 123 8.113 0.365 9.931 1.00 0.00 C ATOM 0 H ILE A 123 9.856 1.964 6.281 1.00 0.00 H new ATOM 0 HA ILE A 123 11.246 2.577 8.748 1.00 0.00 H new ATOM 0 HB ILE A 123 9.964 0.086 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.117 2.241 9.662 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.278 1.668 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.348 -0.779 10.026 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.881 -0.472 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.299 0.678 10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.196 0.839 10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.864 -0.515 9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.717 0.067 10.788 1.00 0.00 H new ATOM 1855 N GLU A 124 12.626 0.618 6.406 1.00 0.00 N ATOM 1856 CA GLU A 124 13.831 -0.025 5.842 1.00 0.00 C ATOM 1857 C GLU A 124 14.193 -1.331 6.581 1.00 0.00 C ATOM 1858 O GLU A 124 13.641 -1.599 7.655 1.00 0.00 O ATOM 1859 CB GLU A 124 14.947 1.015 5.584 1.00 0.00 C ATOM 1860 CG GLU A 124 15.896 1.328 6.704 1.00 0.00 C ATOM 1861 CD GLU A 124 17.390 1.086 6.499 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.789 0.115 5.824 1.00 0.00 O ATOM 1863 OE2 GLU A 124 18.200 1.829 7.105 1.00 0.00 O ATOM 0 H GLU A 124 11.801 0.421 5.839 1.00 0.00 H new ATOM 0 HA GLU A 124 13.628 -0.403 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.536 0.668 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.470 1.947 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.765 2.379 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.585 0.746 7.571 1.00 0.00 H new ATOM 1870 N PRO A 125 15.014 -2.213 5.985 1.00 0.00 N ATOM 1871 CA PRO A 125 15.418 -3.494 6.569 1.00 0.00 C ATOM 1872 C PRO A 125 16.342 -3.338 7.792 1.00 0.00 C ATOM 1873 O PRO A 125 16.584 -2.242 8.299 1.00 0.00 O ATOM 1874 CB PRO A 125 16.126 -4.226 5.417 1.00 0.00 C ATOM 1875 CG PRO A 125 16.824 -3.057 4.735 1.00 0.00 C ATOM 1876 CD PRO A 125 15.702 -2.040 4.710 1.00 0.00 C ATOM 0 HA PRO A 125 14.559 -4.041 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.829 -4.978 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 125 15.425 -4.734 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.689 -2.706 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 125 17.176 -3.311 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.089 -1.027 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.029 -2.214 3.870 1.00 0.00 H new