USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=21 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 53 TYR OH : rot 180:sc= 0.631 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 153:sc= 0.679 (180deg=-0.00441) USER MOD Set 2.1: A 23 GLN : amide:sc= 1.87 K(o=4.3,f=-7.5!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -158:sc= 2.43 (180deg=0.152) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 14 THR OG1 : rot 91:sc= 0.213 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.28) USER MOD Single : A 18 THR OG1 : rot -27:sc= 0.293 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 38 SER OG : rot -66:sc= 1.38 USER MOD Single : A 40 ASN : amide:sc= 0.104 K(o=0.1,f=-3.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -4:sc= 0.428 USER MOD Single : A 54 ASN : amide:sc= 1.25 K(o=1.3,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 75 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -105:sc= 0.0292 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 97 ASN : amide:sc= 0.991 K(o=0.99,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= -0.021 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= -0.123 K(o=-0.12,f=-0.99) USER MOD Single : A 118 SER OG : rot 136:sc= 1.26 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.886 8.350 -8.880 1.00 0.00 N ATOM 60 CA GLY A 7 -2.302 9.662 -8.718 1.00 0.00 C ATOM 61 C GLY A 7 -0.810 9.535 -8.456 1.00 0.00 C ATOM 62 O GLY A 7 -0.267 8.432 -8.342 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.473 10.259 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.782 10.184 -7.890 1.00 0.00 H new ATOM 66 N SER A 8 -0.134 10.678 -8.390 1.00 0.00 N ATOM 67 CA SER A 8 1.288 10.756 -8.097 1.00 0.00 C ATOM 68 C SER A 8 1.574 10.196 -6.704 1.00 0.00 C ATOM 69 O SER A 8 0.688 10.186 -5.853 1.00 0.00 O ATOM 70 CB SER A 8 1.706 12.220 -8.135 1.00 0.00 C ATOM 71 OG SER A 8 1.369 12.849 -9.361 1.00 0.00 O ATOM 0 H SER A 8 -0.568 11.589 -8.541 1.00 0.00 H new ATOM 0 HA SER A 8 1.843 10.174 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.227 12.753 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.782 12.292 -7.977 1.00 0.00 H new ATOM 0 HG SER A 8 1.655 13.786 -9.337 1.00 0.00 H new ATOM 77 N ALA A 9 2.826 9.828 -6.431 1.00 0.00 N ATOM 78 CA ALA A 9 3.195 9.150 -5.190 1.00 0.00 C ATOM 79 C ALA A 9 2.691 9.867 -3.938 1.00 0.00 C ATOM 80 O ALA A 9 2.019 9.275 -3.089 1.00 0.00 O ATOM 81 CB ALA A 9 4.709 8.964 -5.142 1.00 0.00 C ATOM 0 H ALA A 9 3.610 9.991 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 9 2.704 8.177 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.984 8.458 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.029 8.363 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.197 9.938 -5.182 1.00 0.00 H new ATOM 87 N LYS A 10 2.988 11.163 -3.819 1.00 0.00 N ATOM 88 CA LYS A 10 2.555 11.910 -2.648 1.00 0.00 C ATOM 89 C LYS A 10 1.046 12.077 -2.566 1.00 0.00 C ATOM 90 O LYS A 10 0.596 12.335 -1.459 1.00 0.00 O ATOM 91 CB LYS A 10 3.195 13.300 -2.594 1.00 0.00 C ATOM 92 CG LYS A 10 4.589 13.255 -1.954 1.00 0.00 C ATOM 93 CD LYS A 10 4.934 14.579 -1.268 1.00 0.00 C ATOM 94 CE LYS A 10 4.123 14.760 0.023 1.00 0.00 C ATOM 95 NZ LYS A 10 4.117 16.160 0.473 1.00 0.00 N ATOM 0 H LYS A 10 3.515 11.703 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 10 2.884 11.311 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.270 13.706 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.555 13.974 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.630 12.445 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.334 13.035 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.999 14.607 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.732 15.407 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.098 14.427 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.541 14.128 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.559 16.241 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.093 16.470 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.695 16.760 -0.264 1.00 0.00 H new ATOM 109 N ASN A 11 0.269 11.976 -3.654 1.00 0.00 N ATOM 110 CA ASN A 11 -1.188 12.153 -3.576 1.00 0.00 C ATOM 111 C ASN A 11 -1.748 11.280 -2.455 1.00 0.00 C ATOM 112 O ASN A 11 -2.492 11.779 -1.616 1.00 0.00 O ATOM 113 CB ASN A 11 -1.914 11.855 -4.901 1.00 0.00 C ATOM 114 CG ASN A 11 -3.428 11.791 -4.704 1.00 0.00 C ATOM 115 OD1 ASN A 11 -4.011 10.715 -4.730 1.00 0.00 O ATOM 116 ND2 ASN A 11 -4.119 12.901 -4.495 1.00 0.00 N ATOM 0 H ASN A 11 0.621 11.775 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.370 13.206 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.673 12.627 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.558 10.909 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.129 12.855 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.642 13.802 -4.472 1.00 0.00 H new ATOM 123 N ALA A 12 -1.323 10.015 -2.407 1.00 0.00 N ATOM 124 CA ALA A 12 -1.719 9.062 -1.386 1.00 0.00 C ATOM 125 C ALA A 12 -1.105 9.382 -0.013 1.00 0.00 C ATOM 126 O ALA A 12 -1.840 9.541 0.959 1.00 0.00 O ATOM 127 CB ALA A 12 -1.363 7.661 -1.883 1.00 0.00 C ATOM 0 H ALA A 12 -0.680 9.623 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.795 9.124 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.651 6.925 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.895 7.459 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.289 7.599 -2.059 1.00 0.00 H new ATOM 133 N TYR A 13 0.223 9.509 0.105 1.00 0.00 N ATOM 134 CA TYR A 13 0.865 9.741 1.411 1.00 0.00 C ATOM 135 C TYR A 13 0.378 11.023 2.095 1.00 0.00 C ATOM 136 O TYR A 13 0.159 11.035 3.308 1.00 0.00 O ATOM 137 CB TYR A 13 2.383 9.820 1.257 1.00 0.00 C ATOM 138 CG TYR A 13 3.118 10.076 2.563 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.318 9.036 3.490 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.569 11.373 2.877 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.010 9.269 4.691 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.247 11.614 4.086 1.00 0.00 C ATOM 143 CZ TYR A 13 4.467 10.568 4.998 1.00 0.00 C ATOM 144 OH TYR A 13 5.079 10.817 6.188 1.00 0.00 O ATOM 0 H TYR A 13 0.872 9.456 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 13 0.587 8.894 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.744 8.887 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.627 10.614 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.936 8.049 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.394 12.185 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.192 8.455 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.600 12.609 4.314 1.00 0.00 H new ATOM 0 HH TYR A 13 5.331 11.763 6.235 1.00 0.00 H new ATOM 154 N THR A 14 0.195 12.097 1.325 1.00 0.00 N ATOM 155 CA THR A 14 -0.412 13.317 1.813 1.00 0.00 C ATOM 156 C THR A 14 -1.760 13.015 2.475 1.00 0.00 C ATOM 157 O THR A 14 -2.051 13.561 3.540 1.00 0.00 O ATOM 158 CB THR A 14 -0.563 14.293 0.641 1.00 0.00 C ATOM 159 OG1 THR A 14 0.713 14.712 0.187 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.353 15.539 1.007 1.00 0.00 C ATOM 0 H THR A 14 0.468 12.136 0.343 1.00 0.00 H new ATOM 0 HA THR A 14 0.222 13.774 2.573 1.00 0.00 H new ATOM 0 HB THR A 14 -1.105 13.752 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.024 14.108 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.426 16.192 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.353 15.253 1.332 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.846 16.067 1.815 1.00 0.00 H new ATOM 168 N LYS A 15 -2.594 12.183 1.842 1.00 0.00 N ATOM 169 CA LYS A 15 -3.933 11.896 2.332 1.00 0.00 C ATOM 170 C LYS A 15 -3.873 11.168 3.653 1.00 0.00 C ATOM 171 O LYS A 15 -4.531 11.617 4.582 1.00 0.00 O ATOM 172 CB LYS A 15 -4.768 11.147 1.288 1.00 0.00 C ATOM 173 CG LYS A 15 -5.076 12.099 0.128 1.00 0.00 C ATOM 174 CD LYS A 15 -6.220 13.066 0.459 1.00 0.00 C ATOM 175 CE LYS A 15 -6.131 14.374 -0.323 1.00 0.00 C ATOM 176 NZ LYS A 15 -5.773 14.144 -1.732 1.00 0.00 N ATOM 0 H LYS A 15 -2.355 11.695 0.979 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.442 12.844 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.225 10.274 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.694 10.784 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.181 12.669 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.338 11.518 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.173 12.583 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.208 13.284 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.087 14.895 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.389 15.024 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.983 14.998 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.758 13.927 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.325 13.345 -2.104 1.00 0.00 H new ATOM 190 N LEU A 16 -3.038 10.137 3.786 1.00 0.00 N ATOM 191 CA LEU A 16 -2.911 9.419 5.052 1.00 0.00 C ATOM 192 C LEU A 16 -2.623 10.364 6.222 1.00 0.00 C ATOM 193 O LEU A 16 -3.069 10.102 7.334 1.00 0.00 O ATOM 194 CB LEU A 16 -1.792 8.379 4.998 1.00 0.00 C ATOM 195 CG LEU A 16 -2.139 6.995 4.454 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.544 6.959 2.983 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.876 6.148 4.635 1.00 0.00 C ATOM 0 H LEU A 16 -2.443 9.783 3.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.870 8.926 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.984 8.786 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.400 8.255 6.007 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.011 6.630 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.770 5.933 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.426 7.582 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.725 7.337 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.058 5.140 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.054 6.597 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.616 6.104 5.693 1.00 0.00 H new ATOM 209 N GLY A 17 -1.887 11.455 5.998 1.00 0.00 N ATOM 210 CA GLY A 17 -1.525 12.377 7.066 1.00 0.00 C ATOM 211 C GLY A 17 -2.573 13.448 7.366 1.00 0.00 C ATOM 212 O GLY A 17 -2.358 14.266 8.261 1.00 0.00 O ATOM 0 H GLY A 17 -1.530 11.719 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.340 11.804 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.588 12.868 6.802 1.00 0.00 H new ATOM 216 N THR A 18 -3.700 13.462 6.660 1.00 0.00 N ATOM 217 CA THR A 18 -4.832 14.355 6.921 1.00 0.00 C ATOM 218 C THR A 18 -6.122 13.582 7.160 1.00 0.00 C ATOM 219 O THR A 18 -7.087 14.173 7.638 1.00 0.00 O ATOM 220 CB THR A 18 -4.981 15.362 5.773 1.00 0.00 C ATOM 221 OG1 THR A 18 -5.985 16.323 6.043 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.292 14.743 4.413 1.00 0.00 C ATOM 0 H THR A 18 -3.858 12.837 5.869 1.00 0.00 H new ATOM 0 HA THR A 18 -4.627 14.905 7.839 1.00 0.00 H new ATOM 0 HB THR A 18 -3.996 15.825 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.649 15.940 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.379 15.532 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.489 14.063 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.231 14.192 4.470 1.00 0.00 H new ATOM 230 N ASP A 19 -6.130 12.295 6.838 1.00 0.00 N ATOM 231 CA ASP A 19 -7.243 11.371 6.982 1.00 0.00 C ATOM 232 C ASP A 19 -6.938 10.446 8.153 1.00 0.00 C ATOM 233 O ASP A 19 -6.278 9.419 7.987 1.00 0.00 O ATOM 234 CB ASP A 19 -7.463 10.540 5.706 1.00 0.00 C ATOM 235 CG ASP A 19 -8.442 11.123 4.693 1.00 0.00 C ATOM 236 OD1 ASP A 19 -8.954 12.247 4.862 1.00 0.00 O ATOM 237 OD2 ASP A 19 -8.745 10.439 3.680 1.00 0.00 O ATOM 0 H ASP A 19 -5.306 11.842 6.444 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.156 11.939 7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.500 10.403 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.817 9.551 5.996 1.00 0.00 H new ATOM 242 N ASP A 20 -7.488 10.759 9.325 1.00 0.00 N ATOM 243 CA ASP A 20 -7.433 9.903 10.516 1.00 0.00 C ATOM 244 C ASP A 20 -8.053 8.528 10.233 1.00 0.00 C ATOM 245 O ASP A 20 -7.801 7.577 10.966 1.00 0.00 O ATOM 246 CB ASP A 20 -8.206 10.517 11.699 1.00 0.00 C ATOM 247 CG ASP A 20 -7.865 11.970 12.008 1.00 0.00 C ATOM 248 OD1 ASP A 20 -8.411 12.836 11.288 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.133 12.247 12.983 1.00 0.00 O ATOM 0 H ASP A 20 -7.995 11.631 9.480 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.378 9.807 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.274 10.447 11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.014 9.918 12.589 1.00 0.00 H new ATOM 254 N ASN A 21 -8.880 8.417 9.188 1.00 0.00 N ATOM 255 CA ASN A 21 -9.582 7.200 8.793 1.00 0.00 C ATOM 256 C ASN A 21 -8.970 6.574 7.535 1.00 0.00 C ATOM 257 O ASN A 21 -9.489 5.579 7.038 1.00 0.00 O ATOM 258 CB ASN A 21 -11.082 7.507 8.603 1.00 0.00 C ATOM 259 CG ASN A 21 -11.777 7.831 9.920 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.550 7.163 10.923 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.623 8.845 9.978 1.00 0.00 N ATOM 0 H ASN A 21 -9.084 9.205 8.573 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.473 6.462 9.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.195 8.348 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.570 6.650 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.087 9.072 10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.811 9.400 9.143 1.00 0.00 H new ATOM 268 N ALA A 22 -7.897 7.130 6.961 1.00 0.00 N ATOM 269 CA ALA A 22 -7.235 6.480 5.835 1.00 0.00 C ATOM 270 C ALA A 22 -6.493 5.232 6.319 1.00 0.00 C ATOM 271 O ALA A 22 -6.200 5.072 7.506 1.00 0.00 O ATOM 272 CB ALA A 22 -6.277 7.434 5.121 1.00 0.00 C ATOM 0 H ALA A 22 -7.478 8.013 7.254 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.998 6.185 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.802 6.916 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.832 8.293 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.513 7.774 5.820 1.00 0.00 H new ATOM 278 N GLN A 23 -6.130 4.360 5.381 1.00 0.00 N ATOM 279 CA GLN A 23 -5.314 3.173 5.626 1.00 0.00 C ATOM 280 C GLN A 23 -4.345 2.951 4.463 1.00 0.00 C ATOM 281 O GLN A 23 -4.413 3.637 3.445 1.00 0.00 O ATOM 282 CB GLN A 23 -6.229 1.949 5.797 1.00 0.00 C ATOM 283 CG GLN A 23 -6.663 1.663 7.250 1.00 0.00 C ATOM 284 CD GLN A 23 -5.561 0.947 8.019 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.756 1.569 8.706 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.462 -0.366 7.887 1.00 0.00 N ATOM 0 H GLN A 23 -6.403 4.462 4.403 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.734 3.317 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.121 2.092 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.714 1.071 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.911 2.599 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.566 1.053 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.136 -0.873 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.712 -0.871 8.359 1.00 0.00 H new ATOM 295 N LEU A 24 -3.474 1.942 4.594 1.00 0.00 N ATOM 296 CA LEU A 24 -2.516 1.534 3.577 1.00 0.00 C ATOM 297 C LEU A 24 -2.553 0.012 3.448 1.00 0.00 C ATOM 298 O LEU A 24 -2.445 -0.679 4.467 1.00 0.00 O ATOM 299 CB LEU A 24 -1.136 2.052 3.998 1.00 0.00 C ATOM 300 CG LEU A 24 -0.062 2.187 2.911 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.270 0.888 2.172 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.417 3.273 1.897 1.00 0.00 C ATOM 0 H LEU A 24 -3.421 1.374 5.440 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.756 1.950 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.272 3.031 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.750 1.387 4.770 1.00 0.00 H new ATOM 0 HG LEU A 24 0.836 2.470 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.038 1.081 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.635 0.148 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.627 0.509 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.368 3.338 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.363 3.026 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.510 4.231 2.408 1.00 0.00 H new ATOM 314 N LEU A 25 -2.733 -0.503 2.229 1.00 0.00 N ATOM 315 CA LEU A 25 -2.756 -1.936 1.913 1.00 0.00 C ATOM 316 C LEU A 25 -1.568 -2.223 1.015 1.00 0.00 C ATOM 317 O LEU A 25 -1.572 -1.932 -0.178 1.00 0.00 O ATOM 318 CB LEU A 25 -4.087 -2.397 1.278 1.00 0.00 C ATOM 319 CG LEU A 25 -4.580 -3.819 1.622 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.875 -4.907 0.824 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.432 -4.214 3.077 1.00 0.00 C ATOM 0 H LEU A 25 -2.871 0.084 1.407 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.683 -2.509 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.863 -1.691 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.986 -2.328 0.195 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.637 -3.754 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.267 -5.882 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.048 -4.747 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.805 -4.872 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.805 -5.228 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.380 -4.172 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.004 -3.527 3.701 1.00 0.00 H new ATOM 333 N ASP A 26 -0.500 -2.682 1.640 1.00 0.00 N ATOM 334 CA ASP A 26 0.771 -2.963 1.009 1.00 0.00 C ATOM 335 C ASP A 26 0.665 -4.334 0.339 1.00 0.00 C ATOM 336 O ASP A 26 0.743 -5.386 0.996 1.00 0.00 O ATOM 337 CB ASP A 26 1.846 -2.883 2.088 1.00 0.00 C ATOM 338 CG ASP A 26 3.255 -3.061 1.551 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.431 -3.591 0.433 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.158 -2.682 2.327 1.00 0.00 O ATOM 0 H ASP A 26 -0.497 -2.876 2.641 1.00 0.00 H new ATOM 0 HA ASP A 26 1.039 -2.247 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.776 -1.918 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.653 -3.648 2.840 1.00 0.00 H new ATOM 345 N ILE A 27 0.365 -4.308 -0.962 1.00 0.00 N ATOM 346 CA ILE A 27 0.192 -5.493 -1.788 1.00 0.00 C ATOM 347 C ILE A 27 1.537 -6.063 -2.259 1.00 0.00 C ATOM 348 O ILE A 27 1.523 -7.049 -3.006 1.00 0.00 O ATOM 349 CB ILE A 27 -0.818 -5.283 -2.947 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.374 -4.296 -4.050 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.199 -4.927 -2.369 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.223 -4.405 -5.331 1.00 0.00 C ATOM 0 H ILE A 27 0.234 -3.438 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.260 -6.252 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.871 -6.234 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.435 -3.278 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.671 -4.481 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.908 -4.780 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.546 -5.738 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.123 -4.010 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.863 -3.687 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.142 -5.413 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.266 -4.192 -5.096 1.00 0.00 H new ATOM 364 N ARG A 28 2.689 -5.492 -1.869 1.00 0.00 N ATOM 365 CA ARG A 28 3.984 -6.033 -2.286 1.00 0.00 C ATOM 366 C ARG A 28 4.167 -7.430 -1.712 1.00 0.00 C ATOM 367 O ARG A 28 3.506 -7.810 -0.736 1.00 0.00 O ATOM 368 CB ARG A 28 5.152 -5.117 -1.878 1.00 0.00 C ATOM 369 CG ARG A 28 4.952 -3.703 -2.438 1.00 0.00 C ATOM 370 CD ARG A 28 6.149 -2.730 -2.373 1.00 0.00 C ATOM 371 NE ARG A 28 7.470 -3.312 -2.692 1.00 0.00 N ATOM 372 CZ ARG A 28 8.661 -2.734 -2.469 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.753 -1.604 -1.777 1.00 0.00 N ATOM 374 NH2 ARG A 28 9.765 -3.283 -2.948 1.00 0.00 N ATOM 0 H ARG A 28 2.746 -4.666 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 28 3.990 -6.087 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.226 -5.076 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.091 -5.530 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.651 -3.795 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.119 -3.246 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.961 -1.906 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.193 -2.305 -1.370 1.00 0.00 H new ATOM 0 HE ARG A 28 7.477 -4.237 -3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.911 -1.163 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.665 -1.177 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.712 -4.147 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.669 -2.842 -2.778 1.00 0.00 H new ATOM 388 N ALA A 29 5.018 -8.230 -2.353 1.00 0.00 N ATOM 389 CA ALA A 29 5.238 -9.592 -1.911 1.00 0.00 C ATOM 390 C ALA A 29 5.913 -9.593 -0.552 1.00 0.00 C ATOM 391 O ALA A 29 6.648 -8.675 -0.194 1.00 0.00 O ATOM 392 CB ALA A 29 6.070 -10.362 -2.927 1.00 0.00 C ATOM 0 H ALA A 29 5.559 -7.955 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 29 4.273 -10.091 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.223 -11.382 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.548 -10.383 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.036 -9.873 -3.052 1.00 0.00 H new ATOM 398 N THR A 30 5.729 -10.679 0.188 1.00 0.00 N ATOM 399 CA THR A 30 6.285 -10.806 1.519 1.00 0.00 C ATOM 400 C THR A 30 7.826 -10.717 1.519 1.00 0.00 C ATOM 401 O THR A 30 8.429 -10.331 2.528 1.00 0.00 O ATOM 402 CB THR A 30 5.728 -12.104 2.110 1.00 0.00 C ATOM 403 OG1 THR A 30 4.316 -12.008 2.239 1.00 0.00 O ATOM 404 CG2 THR A 30 6.331 -12.352 3.479 1.00 0.00 C ATOM 0 H THR A 30 5.192 -11.490 -0.120 1.00 0.00 H new ATOM 0 HA THR A 30 5.987 -9.971 2.153 1.00 0.00 H new ATOM 0 HB THR A 30 5.983 -12.928 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.965 -12.842 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.929 -13.277 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.414 -12.435 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.084 -11.522 4.141 1.00 0.00 H new ATOM 412 N ALA A 31 8.468 -11.037 0.393 1.00 0.00 N ATOM 413 CA ALA A 31 9.908 -10.955 0.228 1.00 0.00 C ATOM 414 C ALA A 31 10.407 -9.545 -0.090 1.00 0.00 C ATOM 415 O ALA A 31 11.598 -9.267 0.087 1.00 0.00 O ATOM 416 CB ALA A 31 10.301 -11.876 -0.915 1.00 0.00 C ATOM 0 H ALA A 31 7.985 -11.366 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 31 10.363 -11.245 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.380 -11.834 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.007 -12.898 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.798 -11.557 -1.828 1.00 0.00 H new ATOM 422 N ASP A 32 9.552 -8.650 -0.588 1.00 0.00 N ATOM 423 CA ASP A 32 9.942 -7.268 -0.862 1.00 0.00 C ATOM 424 C ASP A 32 10.282 -6.580 0.450 1.00 0.00 C ATOM 425 O ASP A 32 11.184 -5.749 0.469 1.00 0.00 O ATOM 426 CB ASP A 32 8.863 -6.504 -1.633 1.00 0.00 C ATOM 427 CG ASP A 32 8.996 -6.724 -3.138 1.00 0.00 C ATOM 428 OD1 ASP A 32 8.442 -7.741 -3.625 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.593 -5.859 -3.811 1.00 0.00 O ATOM 0 H ASP A 32 8.579 -8.861 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 32 10.822 -7.276 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.877 -6.829 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.939 -5.440 -1.411 1.00 0.00 H new ATOM 434 N PHE A 33 9.699 -7.009 1.573 1.00 0.00 N ATOM 435 CA PHE A 33 9.987 -6.416 2.882 1.00 0.00 C ATOM 436 C PHE A 33 11.377 -6.754 3.420 1.00 0.00 C ATOM 437 O PHE A 33 11.708 -6.405 4.560 1.00 0.00 O ATOM 438 CB PHE A 33 8.885 -6.861 3.843 1.00 0.00 C ATOM 439 CG PHE A 33 7.497 -6.602 3.288 1.00 0.00 C ATOM 440 CD1 PHE A 33 7.204 -5.374 2.661 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.537 -7.626 3.273 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.965 -5.160 2.053 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.280 -7.398 2.683 1.00 0.00 C ATOM 444 CZ PHE A 33 4.992 -6.168 2.071 1.00 0.00 C ATOM 0 H PHE A 33 9.020 -7.770 1.601 1.00 0.00 H new ATOM 0 HA PHE A 33 9.997 -5.331 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.997 -7.925 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.999 -6.335 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.946 -4.590 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.762 -8.586 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.757 -4.217 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.531 -8.176 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.027 -6.000 1.617 1.00 0.00 H new ATOM 454 N ARG A 34 12.158 -7.505 2.640 1.00 0.00 N ATOM 455 CA ARG A 34 13.392 -8.168 3.023 1.00 0.00 C ATOM 456 C ARG A 34 14.505 -7.737 2.082 1.00 0.00 C ATOM 457 O ARG A 34 15.559 -7.309 2.551 1.00 0.00 O ATOM 458 CB ARG A 34 13.209 -9.695 2.965 1.00 0.00 C ATOM 459 CG ARG A 34 11.903 -10.222 3.565 1.00 0.00 C ATOM 460 CD ARG A 34 11.717 -9.838 5.032 1.00 0.00 C ATOM 461 NE ARG A 34 12.790 -10.327 5.906 1.00 0.00 N ATOM 462 CZ ARG A 34 12.819 -10.148 7.227 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.821 -9.497 7.821 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.832 -10.611 7.946 1.00 0.00 N ATOM 0 H ARG A 34 11.924 -7.673 1.662 1.00 0.00 H new ATOM 0 HA ARG A 34 13.654 -7.889 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.264 -10.011 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.044 -10.164 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.063 -9.837 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.881 -11.308 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.661 -8.752 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.764 -10.232 5.385 1.00 0.00 H new ATOM 0 HE ARG A 34 13.562 -10.836 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.043 -9.140 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.834 -9.355 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.596 -11.108 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.847 -10.470 8.956 1.00 0.00 H new ATOM 478 N GLN A 35 14.243 -7.837 0.774 1.00 0.00 N ATOM 479 CA GLN A 35 15.139 -7.316 -0.241 1.00 0.00 C ATOM 480 C GLN A 35 15.108 -5.781 -0.210 1.00 0.00 C ATOM 481 O GLN A 35 16.181 -5.191 -0.211 1.00 0.00 O ATOM 482 CB GLN A 35 14.874 -7.995 -1.606 1.00 0.00 C ATOM 483 CG GLN A 35 13.622 -7.505 -2.342 1.00 0.00 C ATOM 484 CD GLN A 35 12.993 -8.531 -3.291 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.074 -8.408 -4.509 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.310 -9.533 -2.769 1.00 0.00 N ATOM 0 H GLN A 35 13.405 -8.281 0.400 1.00 0.00 H new ATOM 0 HA GLN A 35 16.177 -7.575 -0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.740 -7.835 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.787 -9.070 -1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.877 -7.208 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.879 -6.612 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.245 -9.633 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.848 -10.208 -3.379 1.00 0.00 H new ATOM 495 N VAL A 36 13.922 -5.154 -0.087 1.00 0.00 N ATOM 496 CA VAL A 36 13.751 -3.699 -0.157 1.00 0.00 C ATOM 497 C VAL A 36 13.432 -3.094 1.213 1.00 0.00 C ATOM 498 O VAL A 36 14.133 -2.196 1.667 1.00 0.00 O ATOM 499 CB VAL A 36 12.697 -3.280 -1.207 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.754 -1.767 -1.480 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.886 -4.036 -2.525 1.00 0.00 C ATOM 0 H VAL A 36 13.047 -5.655 0.066 1.00 0.00 H new ATOM 0 HA VAL A 36 14.710 -3.295 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 36 11.722 -3.533 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.001 -1.503 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.559 -1.223 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.742 -1.502 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.128 -3.716 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.877 -3.824 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.788 -5.107 -2.347 1.00 0.00 H new ATOM 511 N GLY A 37 12.384 -3.567 1.895 1.00 0.00 N ATOM 512 CA GLY A 37 11.855 -2.962 3.113 1.00 0.00 C ATOM 513 C GLY A 37 10.360 -2.672 2.964 1.00 0.00 C ATOM 514 O GLY A 37 9.762 -3.066 1.964 1.00 0.00 O ATOM 0 H GLY A 37 11.871 -4.400 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.019 -3.630 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.391 -2.038 3.329 1.00 0.00 H new ATOM 518 N SER A 38 9.754 -2.006 3.951 1.00 0.00 N ATOM 519 CA SER A 38 8.325 -1.679 3.971 1.00 0.00 C ATOM 520 C SER A 38 8.114 -0.176 4.222 1.00 0.00 C ATOM 521 O SER A 38 8.986 0.445 4.834 1.00 0.00 O ATOM 522 CB SER A 38 7.644 -2.479 5.094 1.00 0.00 C ATOM 523 OG SER A 38 8.028 -3.840 5.127 1.00 0.00 O ATOM 0 H SER A 38 10.253 -1.672 4.775 1.00 0.00 H new ATOM 0 HA SER A 38 7.891 -1.936 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.882 -2.019 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.563 -2.417 4.970 1.00 0.00 H new ATOM 0 HG SER A 38 7.709 -4.290 4.317 1.00 0.00 H new ATOM 529 N PRO A 39 6.958 0.406 3.859 1.00 0.00 N ATOM 530 CA PRO A 39 6.629 1.797 4.149 1.00 0.00 C ATOM 531 C PRO A 39 6.387 2.022 5.650 1.00 0.00 C ATOM 532 O PRO A 39 5.731 1.223 6.323 1.00 0.00 O ATOM 533 CB PRO A 39 5.394 2.096 3.292 1.00 0.00 C ATOM 534 CG PRO A 39 4.701 0.739 3.176 1.00 0.00 C ATOM 535 CD PRO A 39 5.874 -0.233 3.131 1.00 0.00 C ATOM 0 HA PRO A 39 7.447 2.476 3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.748 2.837 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.670 2.490 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.046 0.545 4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.086 0.674 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.607 -1.186 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.167 -0.443 2.102 1.00 0.00 H new ATOM 543 N ASN A 40 6.960 3.097 6.201 1.00 0.00 N ATOM 544 CA ASN A 40 6.709 3.571 7.562 1.00 0.00 C ATOM 545 C ASN A 40 5.633 4.634 7.471 1.00 0.00 C ATOM 546 O ASN A 40 5.922 5.754 7.064 1.00 0.00 O ATOM 547 CB ASN A 40 7.961 4.175 8.236 1.00 0.00 C ATOM 548 CG ASN A 40 7.626 4.931 9.525 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.604 4.679 10.170 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.467 5.877 9.919 1.00 0.00 N ATOM 0 H ASN A 40 7.630 3.677 5.696 1.00 0.00 H new ATOM 0 HA ASN A 40 6.408 2.721 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.669 3.378 8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.454 4.853 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.274 6.410 10.767 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.307 6.072 9.374 1.00 0.00 H new ATOM 557 N ILE A 41 4.409 4.316 7.867 1.00 0.00 N ATOM 558 CA ILE A 41 3.347 5.307 8.036 1.00 0.00 C ATOM 559 C ILE A 41 2.976 5.479 9.512 1.00 0.00 C ATOM 560 O ILE A 41 2.012 6.171 9.836 1.00 0.00 O ATOM 561 CB ILE A 41 2.157 4.990 7.107 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.690 3.514 7.140 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.558 5.363 5.672 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.162 3.417 7.100 1.00 0.00 C ATOM 0 H ILE A 41 4.120 3.362 8.082 1.00 0.00 H new ATOM 0 HA ILE A 41 3.712 6.286 7.724 1.00 0.00 H new ATOM 0 HB ILE A 41 1.310 5.575 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.114 2.976 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.064 3.031 8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.731 5.147 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.797 6.425 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.431 4.781 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.137 2.369 7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.258 3.934 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.208 3.879 6.185 1.00 0.00 H new ATOM 576 N LYS A 42 3.729 4.870 10.436 1.00 0.00 N ATOM 577 CA LYS A 42 3.441 5.007 11.858 1.00 0.00 C ATOM 578 C LYS A 42 3.714 6.441 12.316 1.00 0.00 C ATOM 579 O LYS A 42 3.006 6.940 13.188 1.00 0.00 O ATOM 580 CB LYS A 42 4.226 3.969 12.673 1.00 0.00 C ATOM 581 CG LYS A 42 3.388 3.249 13.747 1.00 0.00 C ATOM 582 CD LYS A 42 3.037 4.151 14.936 1.00 0.00 C ATOM 583 CE LYS A 42 2.268 3.429 16.049 1.00 0.00 C ATOM 584 NZ LYS A 42 1.912 4.352 17.150 1.00 0.00 N ATOM 0 H LYS A 42 4.535 4.283 10.221 1.00 0.00 H new ATOM 0 HA LYS A 42 2.384 4.808 12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.640 3.226 11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.069 4.464 13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.468 2.879 13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.938 2.380 14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.956 4.565 15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.441 4.991 14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.361 2.985 15.637 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.874 2.611 16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.393 3.831 17.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.779 4.756 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.314 5.118 16.781 1.00 0.00 H new ATOM 598 N GLY A 43 4.645 7.128 11.650 1.00 0.00 N ATOM 599 CA GLY A 43 4.850 8.562 11.803 1.00 0.00 C ATOM 600 C GLY A 43 3.639 9.408 11.402 1.00 0.00 C ATOM 601 O GLY A 43 3.606 10.592 11.726 1.00 0.00 O ATOM 0 H GLY A 43 5.283 6.695 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.101 8.774 12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.707 8.863 11.200 1.00 0.00 H new ATOM 605 N LEU A 44 2.648 8.844 10.703 1.00 0.00 N ATOM 606 CA LEU A 44 1.340 9.461 10.502 1.00 0.00 C ATOM 607 C LEU A 44 0.438 9.000 11.644 1.00 0.00 C ATOM 608 O LEU A 44 -0.113 9.840 12.354 1.00 0.00 O ATOM 609 CB LEU A 44 0.738 9.103 9.127 1.00 0.00 C ATOM 610 CG LEU A 44 1.689 9.348 7.943 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.029 8.877 6.651 1.00 0.00 C ATOM 612 CD2 LEU A 44 2.033 10.835 7.815 1.00 0.00 C ATOM 0 H LEU A 44 2.737 7.932 10.256 1.00 0.00 H new ATOM 0 HA LEU A 44 1.437 10.547 10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.445 8.053 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.170 9.687 8.977 1.00 0.00 H new ATOM 0 HG LEU A 44 2.608 8.789 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.704 9.051 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.807 7.812 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.103 9.430 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.707 10.981 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.119 11.407 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.518 11.176 8.729 1.00 0.00 H new ATOM 624 N GLY A 45 0.327 7.684 11.864 1.00 0.00 N ATOM 625 CA GLY A 45 -0.471 7.122 12.948 1.00 0.00 C ATOM 626 C GLY A 45 -0.221 5.636 13.205 1.00 0.00 C ATOM 627 O GLY A 45 -0.187 5.200 14.355 1.00 0.00 O ATOM 0 H GLY A 45 0.792 6.981 11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.263 7.677 13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.527 7.267 12.720 1.00 0.00 H new ATOM 631 N LYS A 46 -0.107 4.811 12.161 1.00 0.00 N ATOM 632 CA LYS A 46 -0.141 3.347 12.283 1.00 0.00 C ATOM 633 C LYS A 46 0.612 2.691 11.132 1.00 0.00 C ATOM 634 O LYS A 46 1.063 3.385 10.231 1.00 0.00 O ATOM 635 CB LYS A 46 -1.584 2.818 12.408 1.00 0.00 C ATOM 636 CG LYS A 46 -2.737 3.622 11.792 1.00 0.00 C ATOM 637 CD LYS A 46 -2.655 3.827 10.273 1.00 0.00 C ATOM 638 CE LYS A 46 -3.788 4.736 9.774 1.00 0.00 C ATOM 639 NZ LYS A 46 -5.123 4.111 9.835 1.00 0.00 N ATOM 0 H LYS A 46 0.012 5.139 11.202 1.00 0.00 H new ATOM 0 HA LYS A 46 0.370 3.075 13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.607 1.822 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.798 2.700 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.675 3.117 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.774 4.600 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.692 4.266 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.711 2.862 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.797 5.649 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.580 5.028 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.762 4.591 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.048 3.106 9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.502 4.195 10.800 1.00 0.00 H new ATOM 653 N LYS A 47 0.861 1.382 11.192 1.00 0.00 N ATOM 654 CA LYS A 47 1.592 0.675 10.132 1.00 0.00 C ATOM 655 C LYS A 47 0.644 0.312 8.996 1.00 0.00 C ATOM 656 O LYS A 47 -0.570 0.274 9.202 1.00 0.00 O ATOM 657 CB LYS A 47 2.306 -0.584 10.676 1.00 0.00 C ATOM 658 CG LYS A 47 3.779 -0.639 10.234 1.00 0.00 C ATOM 659 CD LYS A 47 4.624 0.472 10.889 1.00 0.00 C ATOM 660 CE LYS A 47 5.606 -0.025 11.953 1.00 0.00 C ATOM 661 NZ LYS A 47 4.942 -0.614 13.130 1.00 0.00 N ATOM 0 H LYS A 47 0.567 0.785 11.965 1.00 0.00 H new ATOM 0 HA LYS A 47 2.362 1.344 9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.252 -0.591 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.787 -1.476 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.198 -1.612 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.835 -0.545 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.183 0.993 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.954 1.202 11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.268 -0.768 11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.232 0.807 12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.661 -0.930 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.331 0.099 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.365 -1.427 12.833 1.00 0.00 H new ATOM 675 N ALA A 48 1.203 0.017 7.821 1.00 0.00 N ATOM 676 CA ALA A 48 0.456 -0.531 6.700 1.00 0.00 C ATOM 677 C ALA A 48 -0.021 -1.946 7.028 1.00 0.00 C ATOM 678 O ALA A 48 0.463 -2.576 7.972 1.00 0.00 O ATOM 679 CB ALA A 48 1.355 -0.537 5.459 1.00 0.00 C ATOM 0 H ALA A 48 2.194 0.155 7.625 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.422 0.085 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.804 -0.946 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.667 0.482 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.235 -1.151 5.650 1.00 0.00 H new ATOM 685 N VAL A 49 -0.950 -2.474 6.239 1.00 0.00 N ATOM 686 CA VAL A 49 -1.358 -3.869 6.256 1.00 0.00 C ATOM 687 C VAL A 49 -0.647 -4.534 5.084 1.00 0.00 C ATOM 688 O VAL A 49 -0.990 -4.272 3.935 1.00 0.00 O ATOM 689 CB VAL A 49 -2.891 -3.961 6.128 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.361 -5.414 5.953 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.617 -3.333 7.325 1.00 0.00 C ATOM 0 H VAL A 49 -1.456 -1.921 5.547 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.091 -4.369 7.187 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.148 -3.393 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.447 -5.437 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.916 -5.834 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.053 -6.003 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.694 -3.424 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.324 -3.849 8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.349 -2.279 7.401 1.00 0.00 H new ATOM 701 N SER A 50 0.321 -5.398 5.366 1.00 0.00 N ATOM 702 CA SER A 50 0.946 -6.221 4.346 1.00 0.00 C ATOM 703 C SER A 50 -0.037 -7.337 3.971 1.00 0.00 C ATOM 704 O SER A 50 -0.318 -8.216 4.798 1.00 0.00 O ATOM 705 CB SER A 50 2.275 -6.775 4.874 1.00 0.00 C ATOM 706 OG SER A 50 3.000 -5.814 5.625 1.00 0.00 O ATOM 0 H SER A 50 0.691 -5.545 6.305 1.00 0.00 H new ATOM 0 HA SER A 50 1.174 -5.640 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.080 -7.648 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.884 -7.112 4.035 1.00 0.00 H new ATOM 0 HG SER A 50 3.838 -6.211 5.942 1.00 0.00 H new ATOM 712 N THR A 51 -0.620 -7.314 2.773 1.00 0.00 N ATOM 713 CA THR A 51 -1.357 -8.442 2.208 1.00 0.00 C ATOM 714 C THR A 51 -1.095 -8.487 0.704 1.00 0.00 C ATOM 715 O THR A 51 -1.675 -7.699 -0.035 1.00 0.00 O ATOM 716 CB THR A 51 -2.858 -8.353 2.538 1.00 0.00 C ATOM 717 OG1 THR A 51 -3.056 -8.329 3.939 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.625 -9.556 1.980 1.00 0.00 C ATOM 0 H THR A 51 -0.593 -6.499 2.160 1.00 0.00 H new ATOM 0 HA THR A 51 -1.009 -9.373 2.655 1.00 0.00 H new ATOM 0 HB THR A 51 -3.229 -7.436 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.194 -8.436 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.682 -9.462 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.511 -9.590 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.229 -10.474 2.415 1.00 0.00 H new ATOM 726 N VAL A 52 -0.246 -9.419 0.260 1.00 0.00 N ATOM 727 CA VAL A 52 0.076 -9.623 -1.148 1.00 0.00 C ATOM 728 C VAL A 52 -1.227 -9.876 -1.911 1.00 0.00 C ATOM 729 O VAL A 52 -1.936 -10.838 -1.600 1.00 0.00 O ATOM 730 CB VAL A 52 1.091 -10.780 -1.344 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.809 -10.598 -2.683 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.109 -10.937 -0.200 1.00 0.00 C ATOM 0 H VAL A 52 0.243 -10.062 0.883 1.00 0.00 H new ATOM 0 HA VAL A 52 0.560 -8.730 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 52 0.514 -11.704 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.524 -11.409 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.079 -10.611 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.337 -9.644 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.779 -11.768 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.690 -10.020 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.581 -11.134 0.733 1.00 0.00 H new ATOM 742 N TYR A 53 -1.574 -9.009 -2.862 1.00 0.00 N ATOM 743 CA TYR A 53 -2.697 -9.263 -3.754 1.00 0.00 C ATOM 744 C TYR A 53 -2.308 -10.356 -4.748 1.00 0.00 C ATOM 745 O TYR A 53 -1.138 -10.462 -5.124 1.00 0.00 O ATOM 746 CB TYR A 53 -3.108 -7.964 -4.460 1.00 0.00 C ATOM 747 CG TYR A 53 -4.210 -8.134 -5.489 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.440 -8.722 -5.133 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.996 -7.731 -6.817 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.439 -8.938 -6.098 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.971 -7.985 -7.793 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.180 -8.617 -7.447 1.00 0.00 C ATOM 753 OH TYR A 53 -7.057 -8.951 -8.433 1.00 0.00 O ATOM 0 H TYR A 53 -1.092 -8.126 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.560 -9.611 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.436 -7.244 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.232 -7.538 -4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.617 -9.010 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.081 -7.225 -7.087 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.396 -9.346 -5.809 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.793 -7.693 -8.817 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.709 -8.647 -9.297 1.00 0.00 H new ATOM 763 N ASN A 54 -3.281 -11.150 -5.187 1.00 0.00 N ATOM 764 CA ASN A 54 -3.188 -12.053 -6.328 1.00 0.00 C ATOM 765 C ASN A 54 -4.541 -12.062 -7.043 1.00 0.00 C ATOM 766 O ASN A 54 -5.548 -11.652 -6.464 1.00 0.00 O ATOM 767 CB ASN A 54 -2.766 -13.468 -5.880 1.00 0.00 C ATOM 768 CG ASN A 54 -3.844 -14.225 -5.104 1.00 0.00 C ATOM 769 OD1 ASN A 54 -4.965 -14.377 -5.568 1.00 0.00 O ATOM 770 ND2 ASN A 54 -3.538 -14.768 -3.944 1.00 0.00 N ATOM 0 H ASN A 54 -4.196 -11.182 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.419 -11.707 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.492 -14.049 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.874 -13.390 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.235 -15.313 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.604 -14.644 -3.553 1.00 0.00 H new ATOM 777 N GLY A 55 -4.595 -12.579 -8.272 1.00 0.00 N ATOM 778 CA GLY A 55 -5.851 -12.809 -8.983 1.00 0.00 C ATOM 779 C GLY A 55 -6.203 -14.295 -9.042 1.00 0.00 C ATOM 780 O GLY A 55 -7.016 -14.696 -9.879 1.00 0.00 O ATOM 0 H GLY A 55 -3.767 -12.850 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.655 -12.264 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.774 -12.413 -9.995 1.00 0.00 H new ATOM 784 N GLU A 56 -5.553 -15.106 -8.215 1.00 0.00 N ATOM 785 CA GLU A 56 -5.663 -16.549 -8.111 1.00 0.00 C ATOM 786 C GLU A 56 -6.878 -16.915 -7.253 1.00 0.00 C ATOM 787 O GLU A 56 -7.706 -17.743 -7.651 1.00 0.00 O ATOM 788 CB GLU A 56 -4.346 -17.050 -7.498 1.00 0.00 C ATOM 789 CG GLU A 56 -4.227 -18.570 -7.411 1.00 0.00 C ATOM 790 CD GLU A 56 -2.770 -18.974 -7.154 1.00 0.00 C ATOM 791 OE1 GLU A 56 -1.942 -18.899 -8.105 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.443 -19.380 -6.024 1.00 0.00 O ATOM 0 H GLU A 56 -4.879 -14.735 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.816 -17.019 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.515 -16.666 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.244 -16.632 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.863 -18.946 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.580 -19.023 -8.338 1.00 0.00 H new ATOM 799 N ASP A 57 -7.025 -16.283 -6.091 1.00 0.00 N ATOM 800 CA ASP A 57 -8.054 -16.577 -5.104 1.00 0.00 C ATOM 801 C ASP A 57 -8.632 -15.273 -4.555 1.00 0.00 C ATOM 802 O ASP A 57 -8.434 -14.910 -3.405 1.00 0.00 O ATOM 803 CB ASP A 57 -7.560 -17.619 -4.077 1.00 0.00 C ATOM 804 CG ASP A 57 -6.651 -17.162 -2.933 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.561 -16.609 -3.173 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.931 -17.571 -1.774 1.00 0.00 O ATOM 0 H ASP A 57 -6.407 -15.525 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.908 -17.078 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.439 -18.085 -3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.031 -18.397 -4.627 1.00 0.00 H new ATOM 811 N LYS A 58 -9.395 -14.572 -5.407 1.00 0.00 N ATOM 812 CA LYS A 58 -10.074 -13.291 -5.153 1.00 0.00 C ATOM 813 C LYS A 58 -10.681 -13.179 -3.735 1.00 0.00 C ATOM 814 O LYS A 58 -10.193 -12.361 -2.948 1.00 0.00 O ATOM 815 CB LYS A 58 -11.079 -13.003 -6.293 1.00 0.00 C ATOM 816 CG LYS A 58 -10.461 -12.445 -7.591 1.00 0.00 C ATOM 817 CD LYS A 58 -10.096 -10.955 -7.495 1.00 0.00 C ATOM 818 CE LYS A 58 -9.938 -10.273 -8.862 1.00 0.00 C ATOM 819 NZ LYS A 58 -8.847 -10.814 -9.693 1.00 0.00 N ATOM 0 H LYS A 58 -9.566 -14.907 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.323 -12.501 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.609 -13.926 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.822 -12.293 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.566 -13.017 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.164 -12.588 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.868 -10.436 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.165 -10.852 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.875 -10.365 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.764 -9.208 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.068 -10.663 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.958 -10.329 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.744 -11.833 -9.511 1.00 0.00 H new ATOM 833 N PRO A 59 -11.720 -13.947 -3.360 1.00 0.00 N ATOM 834 CA PRO A 59 -12.303 -13.872 -2.017 1.00 0.00 C ATOM 835 C PRO A 59 -11.289 -14.277 -0.943 1.00 0.00 C ATOM 836 O PRO A 59 -11.321 -13.783 0.184 1.00 0.00 O ATOM 837 CB PRO A 59 -13.504 -14.825 -2.043 1.00 0.00 C ATOM 838 CG PRO A 59 -13.166 -15.815 -3.160 1.00 0.00 C ATOM 839 CD PRO A 59 -12.395 -14.951 -4.157 1.00 0.00 C ATOM 0 HA PRO A 59 -12.603 -12.855 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.633 -15.331 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.432 -14.292 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.563 -16.646 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.064 -16.244 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.680 -15.548 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.068 -14.490 -4.880 1.00 0.00 H new ATOM 847 N GLY A 60 -10.366 -15.162 -1.309 1.00 0.00 N ATOM 848 CA GLY A 60 -9.287 -15.680 -0.501 1.00 0.00 C ATOM 849 C GLY A 60 -8.119 -14.724 -0.299 1.00 0.00 C ATOM 850 O GLY A 60 -7.171 -15.076 0.394 1.00 0.00 O ATOM 0 H GLY A 60 -10.360 -15.559 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.684 -15.956 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.913 -16.594 -0.963 1.00 0.00 H new ATOM 854 N PHE A 61 -8.201 -13.495 -0.794 1.00 0.00 N ATOM 855 CA PHE A 61 -7.263 -12.424 -0.500 1.00 0.00 C ATOM 856 C PHE A 61 -7.888 -11.466 0.508 1.00 0.00 C ATOM 857 O PHE A 61 -7.255 -11.117 1.510 1.00 0.00 O ATOM 858 CB PHE A 61 -6.873 -11.768 -1.826 1.00 0.00 C ATOM 859 CG PHE A 61 -6.526 -10.297 -1.761 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.282 -9.881 -1.252 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.440 -9.342 -2.245 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.937 -8.518 -1.265 1.00 0.00 C ATOM 863 CE2 PHE A 61 -7.087 -7.983 -2.266 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.827 -7.572 -1.794 1.00 0.00 C ATOM 0 H PHE A 61 -8.946 -13.210 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.348 -12.790 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.018 -12.305 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.697 -11.896 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.592 -10.609 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.411 -9.654 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.985 -8.199 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.785 -7.251 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.546 -6.530 -1.839 1.00 0.00 H new ATOM 874 N LEU A 62 -9.158 -11.109 0.292 1.00 0.00 N ATOM 875 CA LEU A 62 -9.902 -10.175 1.135 1.00 0.00 C ATOM 876 C LEU A 62 -9.988 -10.642 2.594 1.00 0.00 C ATOM 877 O LEU A 62 -10.198 -9.821 3.488 1.00 0.00 O ATOM 878 CB LEU A 62 -11.304 -9.939 0.550 1.00 0.00 C ATOM 879 CG LEU A 62 -11.284 -9.218 -0.813 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.668 -9.289 -1.456 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.870 -7.747 -0.705 1.00 0.00 C ATOM 0 H LEU A 62 -9.706 -11.469 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.354 -9.233 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.809 -10.898 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.890 -9.350 1.256 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.541 -9.729 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.649 -8.778 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.947 -10.332 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.397 -8.807 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.875 -7.294 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.572 -7.218 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.868 -7.681 -0.281 1.00 0.00 H new ATOM 893 N LYS A 63 -9.763 -11.935 2.869 1.00 0.00 N ATOM 894 CA LYS A 63 -9.829 -12.528 4.193 1.00 0.00 C ATOM 895 C LYS A 63 -8.931 -11.826 5.183 1.00 0.00 C ATOM 896 O LYS A 63 -9.245 -11.831 6.373 1.00 0.00 O ATOM 897 CB LYS A 63 -9.621 -14.052 4.170 1.00 0.00 C ATOM 898 CG LYS A 63 -8.553 -14.624 3.222 1.00 0.00 C ATOM 899 CD LYS A 63 -7.138 -14.148 3.557 1.00 0.00 C ATOM 900 CE LYS A 63 -6.037 -15.042 2.943 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.104 -15.643 3.920 1.00 0.00 N ATOM 0 H LYS A 63 -9.523 -12.611 2.144 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.848 -12.374 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.372 -14.370 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.575 -14.515 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.583 -15.713 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.794 -14.338 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.010 -13.127 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.016 -14.124 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.513 -15.843 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.462 -14.448 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.403 -16.224 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.617 -14.888 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.635 -16.240 4.586 1.00 0.00 H new ATOM 915 N LYS A 64 -7.825 -11.232 4.725 1.00 0.00 N ATOM 916 CA LYS A 64 -6.937 -10.563 5.648 1.00 0.00 C ATOM 917 C LYS A 64 -7.549 -9.247 6.106 1.00 0.00 C ATOM 918 O LYS A 64 -7.439 -8.877 7.275 1.00 0.00 O ATOM 919 CB LYS A 64 -5.548 -10.341 5.040 1.00 0.00 C ATOM 920 CG LYS A 64 -4.836 -11.666 4.704 1.00 0.00 C ATOM 921 CD LYS A 64 -3.365 -11.701 5.141 1.00 0.00 C ATOM 922 CE LYS A 64 -3.295 -11.766 6.666 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.942 -12.003 7.199 1.00 0.00 N ATOM 0 H LYS A 64 -7.538 -11.206 3.747 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.807 -11.209 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.642 -9.742 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.936 -9.769 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.369 -12.487 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.891 -11.836 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.864 -12.565 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.844 -10.815 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.676 -10.831 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.955 -12.560 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.979 -12.034 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.581 -12.909 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.310 -11.234 6.897 1.00 0.00 H new ATOM 937 N LEU A 65 -8.179 -8.516 5.181 1.00 0.00 N ATOM 938 CA LEU A 65 -8.744 -7.202 5.451 1.00 0.00 C ATOM 939 C LEU A 65 -9.849 -7.293 6.499 1.00 0.00 C ATOM 940 O LEU A 65 -10.004 -6.358 7.277 1.00 0.00 O ATOM 941 CB LEU A 65 -9.269 -6.525 4.171 1.00 0.00 C ATOM 942 CG LEU A 65 -8.150 -5.982 3.259 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.594 -7.038 2.297 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.662 -4.766 2.483 1.00 0.00 C ATOM 0 H LEU A 65 -8.309 -8.827 4.218 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.939 -6.580 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.868 -7.242 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.931 -5.705 4.449 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.322 -5.689 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.810 -6.594 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.180 -7.869 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.395 -7.403 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.869 -4.385 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.516 -5.058 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.966 -3.989 3.184 1.00 0.00 H new ATOM 956 N SER A 66 -10.543 -8.430 6.587 1.00 0.00 N ATOM 957 CA SER A 66 -11.644 -8.660 7.513 1.00 0.00 C ATOM 958 C SER A 66 -11.323 -8.225 8.942 1.00 0.00 C ATOM 959 O SER A 66 -12.191 -7.665 9.600 1.00 0.00 O ATOM 960 CB SER A 66 -11.990 -10.162 7.467 1.00 0.00 C ATOM 961 OG SER A 66 -13.240 -10.465 8.044 1.00 0.00 O ATOM 0 H SER A 66 -10.345 -9.238 5.996 1.00 0.00 H new ATOM 0 HA SER A 66 -12.494 -8.051 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.986 -10.497 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.213 -10.723 7.986 1.00 0.00 H new ATOM 0 HG SER A 66 -13.403 -11.429 7.983 1.00 0.00 H new ATOM 967 N LEU A 67 -10.099 -8.493 9.411 1.00 0.00 N ATOM 968 CA LEU A 67 -9.706 -8.318 10.809 1.00 0.00 C ATOM 969 C LEU A 67 -8.620 -7.261 10.949 1.00 0.00 C ATOM 970 O LEU A 67 -8.464 -6.665 12.015 1.00 0.00 O ATOM 971 CB LEU A 67 -9.234 -9.637 11.460 1.00 0.00 C ATOM 972 CG LEU A 67 -9.366 -10.952 10.660 1.00 0.00 C ATOM 973 CD1 LEU A 67 -8.330 -11.048 9.525 1.00 0.00 C ATOM 974 CD2 LEU A 67 -9.203 -12.127 11.621 1.00 0.00 C ATOM 0 H LEU A 67 -9.345 -8.842 8.820 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.600 -7.986 11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.184 -9.516 11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.786 -9.761 12.392 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.351 -10.974 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.462 -11.989 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.469 -10.216 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.325 -11.007 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.294 -13.063 11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.222 -12.078 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.977 -12.080 12.387 1.00 0.00 H new ATOM 986 N LYS A 68 -7.843 -7.036 9.885 1.00 0.00 N ATOM 987 CA LYS A 68 -6.830 -5.987 9.822 1.00 0.00 C ATOM 988 C LYS A 68 -7.453 -4.596 9.819 1.00 0.00 C ATOM 989 O LYS A 68 -6.741 -3.615 10.054 1.00 0.00 O ATOM 990 CB LYS A 68 -5.993 -6.194 8.555 1.00 0.00 C ATOM 991 CG LYS A 68 -4.732 -7.053 8.746 1.00 0.00 C ATOM 992 CD LYS A 68 -4.846 -8.230 9.724 1.00 0.00 C ATOM 993 CE LYS A 68 -3.569 -9.068 9.620 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.359 -9.944 10.791 1.00 0.00 N ATOM 0 H LYS A 68 -7.904 -7.589 9.030 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.201 -6.054 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.620 -6.659 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.696 -5.219 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.436 -7.445 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.925 -6.404 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.979 -7.866 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.719 -8.838 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.614 -9.679 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.712 -8.403 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.481 -10.487 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.287 -9.363 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.161 -10.600 10.882 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.746 -4.489 9.535 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.465 -3.237 9.547 1.00 0.00 C ATOM 1010 C PHE A 69 -10.584 -3.370 10.554 1.00 0.00 C ATOM 1011 O PHE A 69 -11.196 -4.430 10.670 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.967 -2.870 8.152 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.860 -2.699 7.133 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.096 -3.784 6.668 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.590 -1.418 6.647 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.082 -3.591 5.721 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.631 -1.234 5.642 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.873 -2.319 5.183 1.00 0.00 C ATOM 0 H PHE A 69 -9.327 -5.289 9.286 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.810 -2.417 9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.651 -3.645 7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.539 -1.944 8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.293 -4.777 7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.122 -0.567 7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.465 -4.421 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.476 -0.252 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.128 -2.172 4.415 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.835 -2.277 11.265 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.890 -2.184 12.265 1.00 0.00 C ATOM 1030 C LYS A 70 -13.100 -1.406 11.791 1.00 0.00 C ATOM 1031 O LYS A 70 -14.185 -1.585 12.332 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.350 -1.672 13.585 1.00 0.00 C ATOM 1033 CG LYS A 70 -11.052 -0.200 13.439 1.00 0.00 C ATOM 1034 CD LYS A 70 -9.938 0.289 14.363 1.00 0.00 C ATOM 1035 CE LYS A 70 -10.074 1.780 14.675 1.00 0.00 C ATOM 1036 NZ LYS A 70 -10.814 1.989 15.934 1.00 0.00 N ATOM 0 H LYS A 70 -10.300 -1.415 11.160 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.253 -3.198 12.430 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.077 -1.835 14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.447 -2.216 13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.773 0.006 12.406 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.959 0.369 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.960 -0.280 15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.971 0.102 13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.085 2.231 14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.591 2.281 13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.894 3.008 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.765 1.577 15.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.305 1.529 16.716 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.896 -0.525 10.817 1.00 0.00 N ATOM 1051 CA ASP A 71 -13.903 0.433 10.402 1.00 0.00 C ATOM 1052 C ASP A 71 -13.873 0.584 8.886 1.00 0.00 C ATOM 1053 O ASP A 71 -13.499 1.640 8.373 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.672 1.747 11.163 1.00 0.00 C ATOM 1055 CG ASP A 71 -14.757 2.789 10.891 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.923 2.378 10.665 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -14.455 3.995 11.007 1.00 0.00 O ATOM 0 H ASP A 71 -12.023 -0.459 10.294 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.908 0.091 10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.634 1.540 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.702 2.158 10.883 1.00 0.00 H new ATOM 1062 N PRO A 72 -14.137 -0.501 8.128 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.883 -0.521 6.694 1.00 0.00 C ATOM 1064 C PRO A 72 -14.799 0.473 5.973 1.00 0.00 C ATOM 1065 O PRO A 72 -14.391 1.107 5.001 1.00 0.00 O ATOM 1066 CB PRO A 72 -14.119 -1.975 6.261 1.00 0.00 C ATOM 1067 CG PRO A 72 -15.110 -2.488 7.280 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.607 -1.813 8.560 1.00 0.00 C ATOM 0 HA PRO A 72 -12.870 -0.210 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.518 -2.033 5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.195 -2.553 6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.133 -2.200 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.095 -3.575 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.403 -1.725 9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.805 -2.388 9.022 1.00 0.00 H new ATOM 1076 N GLU A 73 -16.022 0.637 6.476 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.071 1.432 5.871 1.00 0.00 C ATOM 1078 C GLU A 73 -16.778 2.932 5.888 1.00 0.00 C ATOM 1079 O GLU A 73 -17.351 3.650 5.072 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.399 1.098 6.559 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.439 1.358 8.071 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.815 0.989 8.623 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.230 -0.183 8.508 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.534 1.883 9.139 1.00 0.00 O ATOM 0 H GLU A 73 -16.313 0.199 7.350 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.130 1.173 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.190 1.680 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.627 0.047 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.667 0.772 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.225 2.407 8.275 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.878 3.425 6.746 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.421 4.818 6.678 1.00 0.00 C ATOM 1093 C ASN A 74 -13.963 4.903 6.248 1.00 0.00 C ATOM 1094 O ASN A 74 -13.505 5.987 5.874 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.631 5.550 8.013 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.087 5.617 8.452 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -17.402 5.485 9.624 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.021 5.809 7.543 1.00 0.00 N ATOM 0 H ASN A 74 -15.452 2.880 7.496 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.029 5.316 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.050 5.049 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.240 6.564 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.002 5.847 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.763 5.920 6.562 1.00 0.00 H new ATOM 1105 N THR A 75 -13.242 3.783 6.278 1.00 0.00 N ATOM 1106 CA THR A 75 -11.853 3.720 5.896 1.00 0.00 C ATOM 1107 C THR A 75 -11.694 3.957 4.391 1.00 0.00 C ATOM 1108 O THR A 75 -12.210 3.189 3.571 1.00 0.00 O ATOM 1109 CB THR A 75 -11.245 2.390 6.363 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.026 2.402 7.755 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.887 2.135 5.704 1.00 0.00 C ATOM 0 H THR A 75 -13.623 2.885 6.575 1.00 0.00 H new ATOM 0 HA THR A 75 -11.299 4.518 6.390 1.00 0.00 H new ATOM 0 HB THR A 75 -11.955 1.612 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.768 1.948 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.484 1.185 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.009 2.098 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.199 2.940 5.964 1.00 0.00 H new ATOM 1119 N THR A 76 -10.917 4.981 4.035 1.00 0.00 N ATOM 1120 CA THR A 76 -10.474 5.248 2.672 1.00 0.00 C ATOM 1121 C THR A 76 -9.114 4.563 2.492 1.00 0.00 C ATOM 1122 O THR A 76 -8.121 4.958 3.113 1.00 0.00 O ATOM 1123 CB THR A 76 -10.396 6.766 2.436 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.594 7.426 2.813 1.00 0.00 O ATOM 1125 CG2 THR A 76 -10.154 7.113 0.970 1.00 0.00 C ATOM 0 H THR A 76 -10.571 5.665 4.708 1.00 0.00 H new ATOM 0 HA THR A 76 -11.175 4.853 1.937 1.00 0.00 H new ATOM 0 HB THR A 76 -9.560 7.100 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.503 8.388 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.107 8.196 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.213 6.672 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.970 6.719 0.363 1.00 0.00 H new ATOM 1133 N LEU A 77 -9.061 3.463 1.738 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.824 2.705 1.596 1.00 0.00 C ATOM 1135 C LEU A 77 -6.952 3.280 0.486 1.00 0.00 C ATOM 1136 O LEU A 77 -7.452 3.801 -0.505 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.129 1.227 1.314 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.505 0.235 2.305 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.671 -1.205 1.809 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -6.004 0.467 2.518 1.00 0.00 C ATOM 0 H LEU A 77 -9.854 3.083 1.222 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.276 2.780 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.210 1.088 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.778 0.984 0.311 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.031 0.396 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.221 -1.891 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.732 -1.434 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.178 -1.316 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.620 -0.265 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.481 0.360 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.843 1.472 2.909 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.645 3.079 0.598 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.667 3.430 -0.413 1.00 0.00 C ATOM 1154 C TYR A 78 -3.805 2.188 -0.595 1.00 0.00 C ATOM 1155 O TYR A 78 -3.153 1.751 0.355 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.878 4.665 0.052 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.652 5.975 -0.016 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.556 6.358 0.999 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.495 6.802 -1.141 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.323 7.535 0.867 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.240 7.985 -1.272 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.181 8.345 -0.286 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.927 9.469 -0.484 1.00 0.00 O ATOM 0 H TYR A 78 -5.227 2.652 1.425 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.107 3.707 -1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.550 4.505 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.980 4.757 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.661 5.746 1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.793 6.525 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.017 7.818 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.091 8.622 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.613 9.291 -1.160 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.839 1.554 -1.765 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.969 0.412 -2.040 1.00 0.00 C ATOM 1175 C ILE A 79 -1.514 0.910 -2.133 1.00 0.00 C ATOM 1176 O ILE A 79 -1.287 2.099 -2.369 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.521 -0.329 -3.289 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.819 -1.066 -2.874 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.561 -1.372 -3.882 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.094 -0.243 -3.059 1.00 0.00 C ATOM 0 H ILE A 79 -4.457 1.810 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.962 -0.329 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.680 0.429 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.905 -1.983 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.738 -1.359 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.025 -1.841 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.635 -0.883 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.341 -2.132 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.956 -0.832 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.034 0.662 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.203 0.028 -4.109 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.511 0.036 -2.022 1.00 0.00 N ATOM 1193 CA LEU A 80 0.870 0.309 -2.424 1.00 0.00 C ATOM 1194 C LEU A 80 1.436 -0.989 -2.999 1.00 0.00 C ATOM 1195 O LEU A 80 1.300 -2.037 -2.375 1.00 0.00 O ATOM 1196 CB LEU A 80 1.701 0.814 -1.228 1.00 0.00 C ATOM 1197 CG LEU A 80 2.825 1.800 -1.603 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.689 2.092 -0.374 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.763 1.344 -2.714 1.00 0.00 C ATOM 0 H LEU A 80 -0.640 -0.902 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 80 0.908 1.098 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.033 1.298 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.142 -0.044 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 80 2.296 2.677 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.482 2.789 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.071 2.531 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.130 1.164 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.514 2.113 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.256 0.419 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.191 1.173 -3.626 1.00 0.00 H new ATOM 1211 N ASP A 81 2.003 -0.934 -4.202 1.00 0.00 N ATOM 1212 CA ASP A 81 2.600 -2.050 -4.933 1.00 0.00 C ATOM 1213 C ASP A 81 4.095 -1.791 -5.115 1.00 0.00 C ATOM 1214 O ASP A 81 4.607 -0.718 -4.801 1.00 0.00 O ATOM 1215 CB ASP A 81 1.930 -2.263 -6.306 1.00 0.00 C ATOM 1216 CG ASP A 81 2.559 -3.478 -7.000 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.544 -4.569 -6.393 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.309 -3.316 -7.989 1.00 0.00 O ATOM 0 H ASP A 81 2.062 -0.059 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 81 2.445 -2.959 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.858 -2.418 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.053 -1.374 -6.924 1.00 0.00 H new ATOM 1223 N LYS A 82 4.827 -2.793 -5.586 1.00 0.00 N ATOM 1224 CA LYS A 82 6.232 -2.723 -5.894 1.00 0.00 C ATOM 1225 C LYS A 82 6.388 -1.647 -6.959 1.00 0.00 C ATOM 1226 O LYS A 82 7.189 -0.756 -6.726 1.00 0.00 O ATOM 1227 CB LYS A 82 6.704 -4.104 -6.396 1.00 0.00 C ATOM 1228 CG LYS A 82 6.515 -5.217 -5.350 1.00 0.00 C ATOM 1229 CD LYS A 82 6.527 -6.632 -5.913 1.00 0.00 C ATOM 1230 CE LYS A 82 7.826 -6.948 -6.651 1.00 0.00 C ATOM 1231 NZ LYS A 82 7.733 -8.190 -7.440 1.00 0.00 N ATOM 0 H LYS A 82 4.430 -3.715 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 82 6.840 -2.470 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.153 -4.364 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.757 -4.045 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.304 -5.132 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.569 -5.054 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.390 -7.346 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.685 -6.758 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.077 -6.118 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.638 -7.038 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.638 -8.363 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.520 -8.988 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.976 -8.096 -8.147 1.00 0.00 H new ATOM 1245 N PHE A 83 5.669 -1.709 -8.085 1.00 0.00 N ATOM 1246 CA PHE A 83 5.948 -0.878 -9.244 1.00 0.00 C ATOM 1247 C PHE A 83 4.691 -0.598 -10.086 1.00 0.00 C ATOM 1248 O PHE A 83 4.571 0.487 -10.651 1.00 0.00 O ATOM 1249 CB PHE A 83 7.001 -1.629 -10.078 1.00 0.00 C ATOM 1250 CG PHE A 83 7.988 -0.767 -10.833 1.00 0.00 C ATOM 1251 CD1 PHE A 83 7.572 0.014 -11.924 1.00 0.00 C ATOM 1252 CD2 PHE A 83 9.353 -0.828 -10.500 1.00 0.00 C ATOM 1253 CE1 PHE A 83 8.521 0.720 -12.688 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.300 -0.114 -11.252 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.887 0.647 -12.359 1.00 0.00 C ATOM 0 H PHE A 83 4.878 -2.340 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 83 6.309 0.098 -8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.559 -2.288 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.482 -2.265 -10.795 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.524 0.073 -12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.675 -1.427 -9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.200 1.318 -13.528 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.345 -0.150 -10.980 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.616 1.175 -12.956 1.00 0.00 H new ATOM 1265 N ASP A 84 3.798 -1.581 -10.245 1.00 0.00 N ATOM 1266 CA ASP A 84 2.621 -1.518 -11.118 1.00 0.00 C ATOM 1267 C ASP A 84 1.558 -2.453 -10.559 1.00 0.00 C ATOM 1268 O ASP A 84 0.452 -2.008 -10.246 1.00 0.00 O ATOM 1269 CB ASP A 84 2.920 -1.980 -12.555 1.00 0.00 C ATOM 1270 CG ASP A 84 3.451 -0.885 -13.462 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.613 -0.146 -14.047 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.677 -0.815 -13.675 1.00 0.00 O ATOM 0 H ASP A 84 3.877 -2.471 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 84 2.297 -0.478 -11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.647 -2.792 -12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.008 -2.387 -12.991 1.00 0.00 H new ATOM 1277 N GLY A 85 1.907 -3.739 -10.458 1.00 0.00 N ATOM 1278 CA GLY A 85 1.125 -4.797 -9.844 1.00 0.00 C ATOM 1279 C GLY A 85 -0.267 -4.863 -10.441 1.00 0.00 C ATOM 1280 O GLY A 85 -0.432 -5.343 -11.565 1.00 0.00 O ATOM 0 H GLY A 85 2.795 -4.081 -10.826 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.629 -5.753 -9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.056 -4.626 -8.770 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.260 -4.411 -9.676 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.674 -4.306 -10.030 1.00 0.00 C ATOM 1286 C ASN A 86 -3.305 -3.191 -9.190 1.00 0.00 C ATOM 1287 O ASN A 86 -4.459 -3.310 -8.787 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.421 -5.630 -9.793 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.820 -6.877 -10.431 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.020 -7.575 -9.813 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.244 -7.280 -11.611 1.00 0.00 N ATOM 0 H ASN A 86 -1.084 -4.086 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.753 -4.076 -11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.487 -5.796 -8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.441 -5.517 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.908 -8.161 -12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.908 -6.711 -12.136 1.00 0.00 H new ATOM 1298 N SER A 87 -2.556 -2.141 -8.836 1.00 0.00 N ATOM 1299 CA SER A 87 -2.972 -1.123 -7.873 1.00 0.00 C ATOM 1300 C SER A 87 -4.401 -0.616 -8.124 1.00 0.00 C ATOM 1301 O SER A 87 -5.238 -0.646 -7.221 1.00 0.00 O ATOM 1302 CB SER A 87 -2.002 0.055 -7.941 1.00 0.00 C ATOM 1303 OG SER A 87 -0.659 -0.364 -8.075 1.00 0.00 O ATOM 0 H SER A 87 -1.626 -1.974 -9.220 1.00 0.00 H new ATOM 0 HA SER A 87 -2.960 -1.584 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.267 0.693 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.104 0.659 -7.040 1.00 0.00 H new ATOM 0 HG SER A 87 -0.074 0.421 -8.116 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.680 -0.168 -9.355 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.950 0.460 -9.720 1.00 0.00 C ATOM 1311 C GLU A 88 -7.097 -0.557 -9.703 1.00 0.00 C ATOM 1312 O GLU A 88 -8.263 -0.158 -9.695 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.881 1.046 -11.145 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.773 2.074 -11.431 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.207 1.939 -12.856 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.754 0.824 -13.211 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -4.133 2.927 -13.629 1.00 0.00 O ATOM 0 H GLU A 88 -4.022 -0.234 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.132 1.247 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.763 0.219 -11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.841 1.514 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.169 3.080 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.967 1.947 -10.708 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.797 -1.862 -9.768 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.771 -2.945 -9.660 1.00 0.00 C ATOM 1326 C LEU A 89 -8.208 -3.041 -8.211 1.00 0.00 C ATOM 1327 O LEU A 89 -9.396 -2.977 -7.900 1.00 0.00 O ATOM 1328 CB LEU A 89 -7.149 -4.272 -10.142 1.00 0.00 C ATOM 1329 CG LEU A 89 -8.085 -5.481 -10.289 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.623 -6.043 -8.967 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -9.232 -5.160 -11.246 1.00 0.00 C ATOM 0 H LEU A 89 -5.843 -2.197 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.637 -2.743 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.678 -4.092 -11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.355 -4.544 -9.446 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.466 -6.275 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.274 -6.893 -9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.790 -6.366 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.188 -5.270 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.884 -6.029 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.803 -4.316 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.828 -4.906 -12.226 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.240 -3.214 -7.313 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.526 -3.406 -5.905 1.00 0.00 C ATOM 1345 C VAL A 90 -8.206 -2.141 -5.340 1.00 0.00 C ATOM 1346 O VAL A 90 -9.078 -2.264 -4.473 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.223 -3.815 -5.195 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.486 -4.207 -3.738 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.543 -5.026 -5.850 1.00 0.00 C ATOM 0 H VAL A 90 -6.247 -3.224 -7.544 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.237 -4.215 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.577 -2.940 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.547 -4.491 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.921 -3.361 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.178 -5.049 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.630 -5.268 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.219 -5.881 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.297 -4.789 -6.885 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.887 -0.953 -5.877 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.515 0.322 -5.539 1.00 0.00 C ATOM 1361 C ALA A 91 -10.033 0.325 -5.772 1.00 0.00 C ATOM 1362 O ALA A 91 -10.741 1.080 -5.112 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.864 1.435 -6.365 1.00 0.00 C ATOM 0 H ALA A 91 -7.158 -0.857 -6.583 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.361 0.488 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.328 2.390 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.799 1.480 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.002 1.228 -7.426 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.556 -0.516 -6.668 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.965 -0.512 -7.065 1.00 0.00 C ATOM 1371 C GLU A 92 -12.667 -1.829 -6.717 1.00 0.00 C ATOM 1372 O GLU A 92 -13.751 -2.120 -7.225 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.068 -0.175 -8.563 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.612 -1.316 -9.496 1.00 0.00 C ATOM 1375 CD GLU A 92 -12.209 -1.212 -10.895 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -13.458 -1.194 -11.027 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.447 -1.193 -11.887 1.00 0.00 O ATOM 0 H GLU A 92 -10.004 -1.229 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.488 0.257 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.101 0.081 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.466 0.710 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.524 -1.306 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.894 -2.273 -9.056 1.00 0.00 H new ATOM 1384 N LEU A 93 -12.043 -2.642 -5.867 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.513 -3.959 -5.457 1.00 0.00 C ATOM 1386 C LEU A 93 -13.004 -3.883 -4.017 1.00 0.00 C ATOM 1387 O LEU A 93 -14.124 -4.296 -3.726 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.327 -4.935 -5.625 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.414 -6.285 -4.884 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.449 -7.223 -5.511 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.028 -6.948 -4.901 1.00 0.00 C ATOM 0 H LEU A 93 -11.158 -2.388 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.349 -4.310 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.207 -5.141 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.421 -4.426 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.735 -6.093 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.474 -8.160 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.433 -6.754 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.178 -7.423 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.076 -7.904 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.716 -7.112 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.308 -6.299 -4.403 1.00 0.00 H new ATOM 1403 N VAL A 94 -12.176 -3.358 -3.114 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.485 -3.308 -1.688 1.00 0.00 C ATOM 1405 C VAL A 94 -13.752 -2.512 -1.380 1.00 0.00 C ATOM 1406 O VAL A 94 -14.511 -2.910 -0.499 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.301 -2.740 -0.900 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -10.170 -3.756 -0.828 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.752 -1.420 -1.467 1.00 0.00 C ATOM 0 H VAL A 94 -11.270 -2.955 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.671 -4.336 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.690 -2.526 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.338 -3.335 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.524 -4.660 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.838 -4.002 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.916 -1.081 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.413 -1.577 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.538 -0.665 -1.457 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.978 -1.408 -2.095 1.00 0.00 N ATOM 1420 CA ALA A 95 -15.158 -0.568 -1.944 1.00 0.00 C ATOM 1421 C ALA A 95 -16.416 -1.428 -2.128 1.00 0.00 C ATOM 1422 O ALA A 95 -17.305 -1.473 -1.279 1.00 0.00 O ATOM 1423 CB ALA A 95 -15.060 0.577 -2.962 1.00 0.00 C ATOM 0 H ALA A 95 -13.331 -1.070 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.219 -0.129 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.934 1.222 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.158 1.158 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.019 0.165 -3.970 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.432 -2.199 -3.213 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.487 -3.120 -3.627 1.00 0.00 C ATOM 1431 C LEU A 96 -17.547 -4.368 -2.737 1.00 0.00 C ATOM 1432 O LEU A 96 -18.332 -5.276 -3.003 1.00 0.00 O ATOM 1433 CB LEU A 96 -17.237 -3.530 -5.091 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.490 -2.391 -6.089 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.531 -1.201 -5.961 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -17.452 -2.931 -7.513 1.00 0.00 C ATOM 0 H LEU A 96 -15.653 -2.196 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.446 -2.611 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.208 -3.874 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.881 -4.373 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.479 -2.002 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.786 -0.447 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.617 -0.770 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.508 -1.539 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.632 -2.117 -8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.474 -3.370 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.223 -3.692 -7.634 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.684 -4.445 -1.727 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.559 -5.522 -0.762 1.00 0.00 C ATOM 1450 C ASN A 97 -16.563 -4.897 0.644 1.00 0.00 C ATOM 1451 O ASN A 97 -15.845 -5.355 1.534 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.309 -6.370 -1.087 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.551 -7.308 -2.264 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.898 -8.472 -2.082 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.369 -6.847 -3.490 1.00 0.00 N ATOM 0 H ASN A 97 -16.008 -3.701 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.396 -6.219 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.471 -5.710 -1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.027 -6.953 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.517 -7.459 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.081 -5.879 -3.633 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.339 -3.825 0.845 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.737 -3.362 2.169 1.00 0.00 C ATOM 1464 C GLY A 98 -16.918 -2.198 2.715 1.00 0.00 C ATOM 1465 O GLY A 98 -16.975 -1.941 3.920 1.00 0.00 O ATOM 0 H GLY A 98 -17.708 -3.254 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.785 -3.065 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.665 -4.197 2.867 1.00 0.00 H new ATOM 1469 N PHE A 99 -16.145 -1.510 1.876 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.429 -0.296 2.256 1.00 0.00 C ATOM 1471 C PHE A 99 -16.023 0.913 1.522 1.00 0.00 C ATOM 1472 O PHE A 99 -16.894 0.751 0.673 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.937 -0.455 1.952 1.00 0.00 C ATOM 1474 CG PHE A 99 -13.147 -1.341 2.896 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -13.280 -2.738 2.841 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -12.164 -0.772 3.733 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.482 -3.554 3.659 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.312 -1.594 4.485 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.481 -2.989 4.469 1.00 0.00 C ATOM 0 H PHE A 99 -15.998 -1.783 0.904 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.540 -0.128 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.835 -0.854 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.481 0.535 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.997 -3.185 2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -12.067 0.302 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.638 -4.623 3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.524 -1.154 5.078 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.848 -3.621 5.073 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.555 2.131 1.827 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.066 3.336 1.171 1.00 0.00 C ATOM 1491 C LYS A 100 -15.506 3.493 -0.243 1.00 0.00 C ATOM 1492 O LYS A 100 -16.254 3.361 -1.215 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.827 4.581 2.050 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.521 5.862 1.545 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.991 5.708 1.108 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.842 5.200 2.275 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.151 4.655 1.859 1.00 0.00 N ATOM 0 H LYS A 100 -14.827 2.305 2.520 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.145 3.229 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.175 4.369 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.755 4.765 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.474 6.612 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.951 6.252 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.376 6.666 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.058 5.013 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.289 4.427 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.005 6.017 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.674 4.330 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.698 5.396 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.004 3.855 1.211 1.00 0.00 H new ATOM 1511 N SER A 101 -14.225 3.840 -0.367 1.00 0.00 N ATOM 1512 CA SER A 101 -13.581 4.224 -1.615 1.00 0.00 C ATOM 1513 C SER A 101 -12.085 4.020 -1.434 1.00 0.00 C ATOM 1514 O SER A 101 -11.556 4.420 -0.397 1.00 0.00 O ATOM 1515 CB SER A 101 -13.772 5.720 -1.873 1.00 0.00 C ATOM 1516 OG SER A 101 -15.097 6.178 -1.682 1.00 0.00 O ATOM 0 H SER A 101 -13.588 3.861 0.429 1.00 0.00 H new ATOM 0 HA SER A 101 -14.002 3.638 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.108 6.278 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.467 5.943 -2.895 1.00 0.00 H new ATOM 0 HG SER A 101 -15.140 7.140 -1.863 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.394 3.447 -2.419 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.962 3.216 -2.312 1.00 0.00 C ATOM 1524 C ALA A 102 -9.220 3.769 -3.525 1.00 0.00 C ATOM 1525 O ALA A 102 -9.822 4.209 -4.508 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.691 1.734 -2.030 1.00 0.00 C ATOM 0 H ALA A 102 -11.807 3.136 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.563 3.769 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.616 1.569 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.172 1.448 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.092 1.130 -2.844 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.895 3.791 -3.415 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.996 4.589 -4.232 1.00 0.00 C ATOM 1534 C TYR A 103 -5.766 3.793 -4.639 1.00 0.00 C ATOM 1535 O TYR A 103 -5.410 2.820 -3.966 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.528 5.773 -3.386 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.352 7.020 -3.544 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.554 7.196 -2.838 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.874 8.022 -4.399 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.295 8.376 -3.011 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.595 9.208 -4.568 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.823 9.379 -3.890 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.542 10.517 -4.070 1.00 0.00 O ATOM 0 H TYR A 103 -7.401 3.228 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.523 4.905 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.536 5.478 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.494 6.001 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.906 6.428 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.945 7.878 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.222 8.517 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.216 9.988 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.077 11.101 -4.704 1.00 0.00 H new ATOM 1553 N ALA A 104 -5.078 4.281 -5.676 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.808 3.749 -6.129 1.00 0.00 C ATOM 1555 C ALA A 104 -2.763 4.856 -6.309 1.00 0.00 C ATOM 1556 O ALA A 104 -3.065 5.953 -6.779 1.00 0.00 O ATOM 1557 CB ALA A 104 -4.004 2.965 -7.426 1.00 0.00 C ATOM 0 H ALA A 104 -5.403 5.074 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.429 3.073 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.045 2.569 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.697 2.141 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.410 3.625 -8.192 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.521 4.548 -5.947 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.315 5.323 -6.223 1.00 0.00 C ATOM 1565 C ILE A 105 0.242 4.788 -7.545 1.00 0.00 C ATOM 1566 O ILE A 105 0.370 3.573 -7.728 1.00 0.00 O ATOM 1567 CB ILE A 105 0.690 5.246 -5.031 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.147 5.467 -5.480 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.619 3.943 -4.228 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.146 5.737 -4.357 1.00 0.00 C ATOM 0 H ILE A 105 -1.317 3.698 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.523 6.388 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 105 0.374 6.058 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.476 4.587 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.172 6.307 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.350 3.973 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.381 3.828 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.837 3.100 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.140 5.878 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.851 6.636 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.161 4.890 -3.672 1.00 0.00 H new ATOM 1582 N LYS A 106 0.559 5.674 -8.493 1.00 0.00 N ATOM 1583 CA LYS A 106 1.310 5.290 -9.683 1.00 0.00 C ATOM 1584 C LYS A 106 2.739 4.959 -9.278 1.00 0.00 C ATOM 1585 O LYS A 106 3.252 5.505 -8.307 1.00 0.00 O ATOM 1586 CB LYS A 106 1.312 6.436 -10.707 1.00 0.00 C ATOM 1587 CG LYS A 106 0.954 5.956 -12.126 1.00 0.00 C ATOM 1588 CD LYS A 106 2.070 5.308 -12.950 1.00 0.00 C ATOM 1589 CE LYS A 106 1.592 5.040 -14.387 1.00 0.00 C ATOM 1590 NZ LYS A 106 0.871 3.757 -14.552 1.00 0.00 N ATOM 0 H LYS A 106 0.306 6.661 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 106 0.842 4.419 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.600 7.200 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.296 6.904 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.136 5.240 -12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.574 6.811 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.943 5.960 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.379 4.373 -12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.939 5.855 -14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.454 5.049 -15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.581 3.647 -15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.497 2.970 -14.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.028 3.751 -13.942 1.00 0.00 H new ATOM 1604 N ASP A 107 3.394 4.108 -10.063 1.00 0.00 N ATOM 1605 CA ASP A 107 4.812 3.749 -9.937 1.00 0.00 C ATOM 1606 C ASP A 107 5.128 2.952 -8.656 1.00 0.00 C ATOM 1607 O ASP A 107 6.273 2.533 -8.469 1.00 0.00 O ATOM 1608 CB ASP A 107 5.733 4.985 -10.070 1.00 0.00 C ATOM 1609 CG ASP A 107 5.563 5.770 -11.372 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.164 5.386 -12.391 1.00 0.00 O ATOM 1611 OD2 ASP A 107 4.859 6.808 -11.374 1.00 0.00 O ATOM 0 H ASP A 107 2.936 3.627 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 107 5.022 3.082 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.544 5.654 -9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.770 4.659 -9.991 1.00 0.00 H new ATOM 1616 N GLY A 108 4.137 2.680 -7.798 1.00 0.00 N ATOM 1617 CA GLY A 108 4.301 1.945 -6.552 1.00 0.00 C ATOM 1618 C GLY A 108 5.446 2.509 -5.719 1.00 0.00 C ATOM 1619 O GLY A 108 5.580 3.725 -5.572 1.00 0.00 O ATOM 0 H GLY A 108 3.175 2.976 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.376 1.989 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.491 0.894 -6.770 1.00 0.00 H new ATOM 1623 N ALA A 109 6.245 1.630 -5.118 1.00 0.00 N ATOM 1624 CA ALA A 109 7.369 2.007 -4.283 1.00 0.00 C ATOM 1625 C ALA A 109 8.657 2.119 -5.092 1.00 0.00 C ATOM 1626 O ALA A 109 9.357 3.118 -4.971 1.00 0.00 O ATOM 1627 CB ALA A 109 7.531 0.985 -3.157 1.00 0.00 C ATOM 0 H ALA A 109 6.122 0.621 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 109 7.167 2.990 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.376 1.267 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.623 0.960 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.710 -0.002 -3.584 1.00 0.00 H new ATOM 1633 N GLU A 110 8.999 1.053 -5.814 1.00 0.00 N ATOM 1634 CA GLU A 110 10.267 0.824 -6.504 1.00 0.00 C ATOM 1635 C GLU A 110 10.396 1.681 -7.766 1.00 0.00 C ATOM 1636 O GLU A 110 11.494 1.811 -8.321 1.00 0.00 O ATOM 1637 CB GLU A 110 10.383 -0.653 -6.917 1.00 0.00 C ATOM 1638 CG GLU A 110 10.505 -1.616 -5.729 1.00 0.00 C ATOM 1639 CD GLU A 110 11.947 -2.091 -5.549 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.763 -1.342 -4.973 1.00 0.00 O ATOM 1641 OE2 GLU A 110 12.270 -3.229 -5.947 1.00 0.00 O ATOM 0 H GLU A 110 8.353 0.274 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 110 11.060 1.097 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.508 -0.926 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.253 -0.774 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.166 -1.120 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.853 -2.475 -5.885 1.00 0.00 H new ATOM 1648 N GLY A 111 9.282 2.228 -8.259 1.00 0.00 N ATOM 1649 CA GLY A 111 9.268 2.981 -9.494 1.00 0.00 C ATOM 1650 C GLY A 111 10.167 4.210 -9.394 1.00 0.00 C ATOM 1651 O GLY A 111 10.424 4.731 -8.303 1.00 0.00 O ATOM 0 H GLY A 111 8.371 2.156 -7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.603 2.347 -10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.248 3.289 -9.725 1.00 0.00 H new ATOM 1655 N PRO A 112 10.677 4.713 -10.530 1.00 0.00 N ATOM 1656 CA PRO A 112 11.672 5.779 -10.537 1.00 0.00 C ATOM 1657 C PRO A 112 11.165 7.105 -9.980 1.00 0.00 C ATOM 1658 O PRO A 112 11.963 8.024 -9.819 1.00 0.00 O ATOM 1659 CB PRO A 112 12.098 5.942 -11.996 1.00 0.00 C ATOM 1660 CG PRO A 112 10.947 5.323 -12.787 1.00 0.00 C ATOM 1661 CD PRO A 112 10.444 4.215 -11.876 1.00 0.00 C ATOM 0 HA PRO A 112 12.498 5.504 -9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.242 6.991 -12.255 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.040 5.432 -12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.167 6.054 -12.998 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.285 4.931 -13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.387 4.011 -12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.980 3.283 -12.052 1.00 0.00 H new ATOM 1669 N ARG A 113 9.864 7.225 -9.739 1.00 0.00 N ATOM 1670 CA ARG A 113 9.201 8.421 -9.240 1.00 0.00 C ATOM 1671 C ARG A 113 8.105 8.026 -8.231 1.00 0.00 C ATOM 1672 O ARG A 113 7.121 8.755 -8.090 1.00 0.00 O ATOM 1673 CB ARG A 113 8.664 9.222 -10.437 1.00 0.00 C ATOM 1674 CG ARG A 113 9.726 9.676 -11.441 1.00 0.00 C ATOM 1675 CD ARG A 113 10.669 10.738 -10.893 1.00 0.00 C ATOM 1676 NE ARG A 113 9.993 12.030 -10.739 1.00 0.00 N ATOM 1677 CZ ARG A 113 9.607 12.827 -11.741 1.00 0.00 C ATOM 1678 NH1 ARG A 113 10.071 12.654 -12.978 1.00 0.00 N ATOM 1679 NH2 ARG A 113 8.721 13.785 -11.502 1.00 0.00 N ATOM 0 H ARG A 113 9.214 6.454 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 113 9.898 9.063 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.927 8.613 -10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 113 8.141 10.102 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.310 8.811 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.230 10.066 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.062 10.415 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 113 11.521 10.850 -11.563 1.00 0.00 H new ATOM 0 HE ARG A 113 9.801 12.347 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.733 11.903 -13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.764 13.273 -13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.343 13.907 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.418 14.400 -12.258 1.00 0.00 H new ATOM 1693 N GLY A 114 8.196 6.824 -7.650 1.00 0.00 N ATOM 1694 CA GLY A 114 7.173 6.213 -6.808 1.00 0.00 C ATOM 1695 C GLY A 114 7.253 6.733 -5.372 1.00 0.00 C ATOM 1696 O GLY A 114 7.548 7.906 -5.153 1.00 0.00 O ATOM 0 H GLY A 114 9.018 6.231 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.186 6.425 -7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.294 5.130 -6.812 1.00 0.00 H new ATOM 1700 N TRP A 115 6.934 5.883 -4.392 1.00 0.00 N ATOM 1701 CA TRP A 115 6.940 6.197 -2.962 1.00 0.00 C ATOM 1702 C TRP A 115 8.355 6.451 -2.454 1.00 0.00 C ATOM 1703 O TRP A 115 8.583 7.403 -1.706 1.00 0.00 O ATOM 1704 CB TRP A 115 6.370 5.022 -2.155 1.00 0.00 C ATOM 1705 CG TRP A 115 6.068 5.300 -0.713 1.00 0.00 C ATOM 1706 CD1 TRP A 115 6.998 5.414 0.265 1.00 0.00 C ATOM 1707 CD2 TRP A 115 4.777 5.507 -0.059 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.373 5.610 1.475 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.008 5.691 1.334 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.435 5.555 -0.492 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 3.969 5.903 2.249 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.379 5.767 0.412 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.645 5.932 1.783 1.00 0.00 C ATOM 0 H TRP A 115 6.654 4.921 -4.581 1.00 0.00 H new ATOM 0 HA TRP A 115 6.332 7.092 -2.832 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.453 4.685 -2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.079 4.195 -2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.067 5.359 0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 115 6.862 5.686 2.367 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.214 5.426 -1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.183 6.042 3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.361 5.803 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 115 1.831 6.081 2.477 1.00 0.00 H new ATOM 1724 N LEU A 116 9.293 5.544 -2.752 1.00 0.00 N ATOM 1725 CA LEU A 116 10.688 5.736 -2.547 1.00 0.00 C ATOM 1726 C LEU A 116 11.036 6.880 -3.480 1.00 0.00 C ATOM 1727 O LEU A 116 10.282 7.340 -4.336 1.00 0.00 O ATOM 1728 CB LEU A 116 11.498 4.468 -2.901 1.00 0.00 C ATOM 1729 CG LEU A 116 11.144 3.211 -2.078 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.729 1.948 -2.723 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.674 3.294 -0.646 1.00 0.00 C ATOM 0 H LEU A 116 9.069 4.634 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 116 10.927 5.948 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.350 4.245 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.558 4.684 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 116 10.055 3.159 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.465 1.077 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.324 1.832 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.814 2.036 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.402 2.388 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.759 3.393 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.239 4.160 -0.147 1.00 0.00 H new ATOM 1743 N ASN A 117 12.222 7.352 -3.231 1.00 0.00 N ATOM 1744 CA ASN A 117 12.881 8.483 -3.850 1.00 0.00 C ATOM 1745 C ASN A 117 12.028 9.771 -3.954 1.00 0.00 C ATOM 1746 O ASN A 117 12.343 10.669 -4.739 1.00 0.00 O ATOM 1747 CB ASN A 117 13.481 7.997 -5.167 1.00 0.00 C ATOM 1748 CG ASN A 117 12.483 7.731 -6.294 1.00 0.00 C ATOM 1749 OD1 ASN A 117 11.918 8.645 -6.890 1.00 0.00 O ATOM 1750 ND2 ASN A 117 12.309 6.470 -6.658 1.00 0.00 N ATOM 0 H ASN A 117 12.815 6.919 -2.523 1.00 0.00 H new ATOM 0 HA ASN A 117 13.680 8.832 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.201 8.739 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.036 7.079 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 117 11.699 6.246 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.785 5.723 -6.153 1.00 0.00 H new ATOM 1757 N SER A 118 10.985 9.899 -3.125 1.00 0.00 N ATOM 1758 CA SER A 118 9.954 10.932 -3.172 1.00 0.00 C ATOM 1759 C SER A 118 9.861 11.769 -1.885 1.00 0.00 C ATOM 1760 O SER A 118 8.871 12.490 -1.722 1.00 0.00 O ATOM 1761 CB SER A 118 8.618 10.238 -3.485 1.00 0.00 C ATOM 1762 OG SER A 118 8.211 10.466 -4.819 1.00 0.00 O ATOM 0 H SER A 118 10.833 9.243 -2.359 1.00 0.00 H new ATOM 0 HA SER A 118 10.215 11.650 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.715 9.166 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.850 10.602 -2.803 1.00 0.00 H new ATOM 0 HG SER A 118 7.883 9.629 -5.209 1.00 0.00 H new ATOM 1768 N SER A 119 10.842 11.661 -0.978 1.00 0.00 N ATOM 1769 CA SER A 119 10.934 12.286 0.347 1.00 0.00 C ATOM 1770 C SER A 119 10.155 11.483 1.406 1.00 0.00 C ATOM 1771 O SER A 119 10.047 11.934 2.547 1.00 0.00 O ATOM 1772 CB SER A 119 10.504 13.772 0.288 1.00 0.00 C ATOM 1773 OG SER A 119 11.093 14.602 1.281 1.00 0.00 O ATOM 0 H SER A 119 11.661 11.084 -1.170 1.00 0.00 H new ATOM 0 HA SER A 119 11.978 12.270 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.756 14.170 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.420 13.826 0.385 1.00 0.00 H new ATOM 0 HG SER A 119 10.771 15.521 1.172 1.00 0.00 H new ATOM 1779 N LEU A 120 9.563 10.333 1.057 1.00 0.00 N ATOM 1780 CA LEU A 120 8.618 9.632 1.931 1.00 0.00 C ATOM 1781 C LEU A 120 9.327 8.697 2.916 1.00 0.00 C ATOM 1782 O LEU A 120 10.388 8.168 2.590 1.00 0.00 O ATOM 1783 CB LEU A 120 7.560 8.873 1.108 1.00 0.00 C ATOM 1784 CG LEU A 120 6.717 9.780 0.195 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.560 8.979 -0.403 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.165 10.983 0.967 1.00 0.00 C ATOM 0 H LEU A 120 9.726 9.866 0.165 1.00 0.00 H new ATOM 0 HA LEU A 120 8.107 10.391 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.059 8.121 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.896 8.341 1.789 1.00 0.00 H new ATOM 0 HG LEU A 120 7.360 10.151 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.966 9.625 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.956 8.148 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.932 8.592 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.574 11.606 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.536 10.633 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.992 11.568 1.370 1.00 0.00 H new ATOM 1798 N PRO A 121 8.754 8.476 4.112 1.00 0.00 N ATOM 1799 CA PRO A 121 9.358 7.662 5.169 1.00 0.00 C ATOM 1800 C PRO A 121 9.429 6.177 4.800 1.00 0.00 C ATOM 1801 O PRO A 121 8.657 5.715 3.954 1.00 0.00 O ATOM 1802 CB PRO A 121 8.447 7.865 6.382 1.00 0.00 C ATOM 1803 CG PRO A 121 7.114 8.292 5.800 1.00 0.00 C ATOM 1804 CD PRO A 121 7.503 9.071 4.565 1.00 0.00 C ATOM 0 HA PRO A 121 10.389 7.963 5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.350 6.947 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.847 8.625 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.490 7.433 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.548 8.906 6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.733 9.000 3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.631 10.129 4.792 1.00 0.00 H new ATOM 1812 N TRP A 122 10.263 5.396 5.499 1.00 0.00 N ATOM 1813 CA TRP A 122 10.428 3.965 5.243 1.00 0.00 C ATOM 1814 C TRP A 122 10.795 3.188 6.519 1.00 0.00 C ATOM 1815 O TRP A 122 11.205 3.803 7.506 1.00 0.00 O ATOM 1816 CB TRP A 122 11.505 3.809 4.167 1.00 0.00 C ATOM 1817 CG TRP A 122 11.403 2.526 3.434 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.255 1.487 3.524 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.373 2.151 2.479 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.852 0.509 2.623 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.646 0.834 2.015 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.246 2.812 1.955 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.792 0.190 1.100 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.386 2.176 1.044 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.648 0.863 0.630 1.00 0.00 C ATOM 0 H TRP A 122 10.844 5.744 6.262 1.00 0.00 H new ATOM 0 HA TRP A 122 9.484 3.543 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.427 4.634 3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.489 3.880 4.631 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.107 1.424 4.185 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.378 -0.344 2.431 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.038 3.827 2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 10.012 -0.812 0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.522 2.700 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.972 0.367 -0.050 1.00 0.00 H new ATOM 1836 N ILE A 123 10.686 1.850 6.506 1.00 0.00 N ATOM 1837 CA ILE A 123 11.040 0.942 7.607 1.00 0.00 C ATOM 1838 C ILE A 123 12.312 0.157 7.330 1.00 0.00 C ATOM 1839 O ILE A 123 13.006 -0.139 8.306 1.00 0.00 O ATOM 1840 CB ILE A 123 9.893 -0.054 7.944 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.632 0.685 8.385 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.326 -1.091 8.997 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.445 -0.225 8.710 1.00 0.00 C ATOM 0 H ILE A 123 10.333 1.350 5.690 1.00 0.00 H new ATOM 0 HA ILE A 123 11.210 1.590 8.467 1.00 0.00 H new ATOM 0 HB ILE A 123 9.660 -0.599 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.866 1.284 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.338 1.378 7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.497 -1.767 9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.174 -1.662 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.614 -0.579 9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.593 0.383 9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.179 -0.806 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.716 -0.901 9.521 1.00 0.00 H new ATOM 1855 N GLU A 124 12.585 -0.189 6.065 1.00 0.00 N ATOM 1856 CA GLU A 124 13.779 -0.906 5.598 1.00 0.00 C ATOM 1857 C GLU A 124 13.894 -2.333 6.209 1.00 0.00 C ATOM 1858 O GLU A 124 13.188 -2.682 7.164 1.00 0.00 O ATOM 1859 CB GLU A 124 14.980 0.065 5.700 1.00 0.00 C ATOM 1860 CG GLU A 124 15.504 0.374 7.082 1.00 0.00 C ATOM 1861 CD GLU A 124 16.965 0.816 7.188 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.564 1.312 6.220 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.533 0.718 8.311 1.00 0.00 O ATOM 0 H GLU A 124 11.947 0.035 5.301 1.00 0.00 H new ATOM 0 HA GLU A 124 13.729 -1.176 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.800 -0.349 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.694 1.006 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.881 1.158 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.373 -0.514 7.700 1.00 0.00 H new ATOM 1870 N PRO A 125 14.753 -3.222 5.684 1.00 0.00 N ATOM 1871 CA PRO A 125 15.104 -4.475 6.347 1.00 0.00 C ATOM 1872 C PRO A 125 15.953 -4.208 7.605 1.00 0.00 C ATOM 1873 O PRO A 125 16.116 -3.065 8.053 1.00 0.00 O ATOM 1874 CB PRO A 125 15.858 -5.266 5.279 1.00 0.00 C ATOM 1875 CG PRO A 125 16.609 -4.180 4.522 1.00 0.00 C ATOM 1876 CD PRO A 125 15.629 -3.015 4.546 1.00 0.00 C ATOM 0 HA PRO A 125 14.238 -5.028 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.538 -5.995 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 125 15.178 -5.816 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.551 -3.926 5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.847 -4.487 3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.159 -2.067 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.055 -2.974 3.620 1.00 0.00 H new