USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -17.9! C(o=-17!,f=-15!) USER MOD Set 1.2: A 83 TYR OH : rot -5:sc= 0.888 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.045) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= -1.78 K(o=-0.49,f=-6) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 156:sc= 1.29 (180deg=-0.0433) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00907 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00807 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.304 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.95) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.307 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0.0676 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0272) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00707) USER MOD Single : A 47 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.54) USER MOD Single : A 48 SER OG : rot 89:sc= 0.736 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 GLN : amide:sc= -0.0867 K(o=-0.087,f=-0.62) USER MOD Single : A 60 ASN : amide:sc= -0.0745 K(o=-0.074,f=-1.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.193 (180deg=-1.04) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 67 THR OG1 : rot -56:sc= 0.319 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.755 X(o=-0.75,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.900 19.788 25.480 1.00 0.00 N ATOM 2 CA GLY A 1 12.406 18.460 25.167 1.00 0.00 C ATOM 3 C GLY A 1 13.124 17.838 23.986 1.00 0.00 C ATOM 4 O GLY A 1 14.332 18.009 23.824 1.00 0.00 O ATOM 0 H1 GLY A 1 12.937 19.910 26.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.854 19.906 25.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.263 20.501 25.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.523 17.817 26.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.339 18.514 24.952 1.00 0.00 H new ATOM 8 N SER A 2 12.379 17.113 23.158 1.00 0.00 N ATOM 9 CA SER A 2 12.952 16.459 21.987 1.00 0.00 C ATOM 10 C SER A 2 12.107 16.727 20.746 1.00 0.00 C ATOM 11 O SER A 2 10.931 16.367 20.693 1.00 0.00 O ATOM 12 CB SER A 2 13.067 14.951 22.224 1.00 0.00 C ATOM 13 OG SER A 2 14.092 14.659 23.158 1.00 0.00 O ATOM 0 H SER A 2 11.377 16.963 23.276 1.00 0.00 H new ATOM 0 HA SER A 2 13.948 16.871 21.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.116 14.563 22.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.275 14.446 21.281 1.00 0.00 H new ATOM 0 HG SER A 2 14.145 13.690 23.294 1.00 0.00 H new ATOM 19 N SER A 3 12.715 17.361 19.749 1.00 0.00 N ATOM 20 CA SER A 3 12.018 17.682 18.509 1.00 0.00 C ATOM 21 C SER A 3 11.969 16.469 17.584 1.00 0.00 C ATOM 22 O SER A 3 10.915 16.123 17.052 1.00 0.00 O ATOM 23 CB SER A 3 12.706 18.850 17.800 1.00 0.00 C ATOM 24 OG SER A 3 14.081 18.579 17.587 1.00 0.00 O ATOM 0 H SER A 3 13.689 17.663 19.775 1.00 0.00 H new ATOM 0 HA SER A 3 10.997 17.969 18.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.217 19.038 16.844 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.599 19.756 18.397 1.00 0.00 H new ATOM 0 HG SER A 3 14.498 19.340 17.131 1.00 0.00 H new ATOM 30 N GLY A 4 13.118 15.828 17.398 1.00 0.00 N ATOM 31 CA GLY A 4 13.186 14.661 16.538 1.00 0.00 C ATOM 32 C GLY A 4 12.812 14.976 15.103 1.00 0.00 C ATOM 33 O GLY A 4 11.935 15.802 14.850 1.00 0.00 O ATOM 0 H GLY A 4 14.004 16.096 17.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.196 14.251 16.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.519 13.890 16.923 1.00 0.00 H new ATOM 37 N SER A 5 13.480 14.318 14.161 1.00 0.00 N ATOM 38 CA SER A 5 13.217 14.537 12.743 1.00 0.00 C ATOM 39 C SER A 5 13.328 13.231 11.963 1.00 0.00 C ATOM 40 O SER A 5 14.228 12.426 12.203 1.00 0.00 O ATOM 41 CB SER A 5 14.194 15.568 12.175 1.00 0.00 C ATOM 42 OG SER A 5 13.642 16.225 11.047 1.00 0.00 O ATOM 0 H SER A 5 14.207 13.629 14.354 1.00 0.00 H new ATOM 0 HA SER A 5 12.200 14.916 12.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.441 16.302 12.943 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.125 15.076 11.894 1.00 0.00 H new ATOM 0 HG SER A 5 14.285 16.880 10.703 1.00 0.00 H new ATOM 48 N SER A 6 12.406 13.028 11.027 1.00 0.00 N ATOM 49 CA SER A 6 12.397 11.818 10.213 1.00 0.00 C ATOM 50 C SER A 6 11.782 12.090 8.843 1.00 0.00 C ATOM 51 O SER A 6 10.755 12.759 8.733 1.00 0.00 O ATOM 52 CB SER A 6 11.620 10.707 10.921 1.00 0.00 C ATOM 53 OG SER A 6 12.437 10.036 11.866 1.00 0.00 O ATOM 0 H SER A 6 11.656 13.686 10.814 1.00 0.00 H new ATOM 0 HA SER A 6 13.429 11.497 10.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.750 11.130 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.248 9.994 10.186 1.00 0.00 H new ATOM 0 HG SER A 6 13.217 10.591 12.077 1.00 0.00 H new ATOM 59 N GLY A 7 12.418 11.565 7.800 1.00 0.00 N ATOM 60 CA GLY A 7 11.920 11.761 6.452 1.00 0.00 C ATOM 61 C GLY A 7 12.224 10.585 5.545 1.00 0.00 C ATOM 62 O GLY A 7 12.993 10.708 4.591 1.00 0.00 O ATOM 0 H GLY A 7 13.270 11.007 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.842 11.921 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.363 12.664 6.032 1.00 0.00 H new ATOM 66 N THR A 8 11.619 9.439 5.842 1.00 0.00 N ATOM 67 CA THR A 8 11.830 8.235 5.048 1.00 0.00 C ATOM 68 C THR A 8 10.553 7.408 4.953 1.00 0.00 C ATOM 69 O THR A 8 9.563 7.700 5.623 1.00 0.00 O ATOM 70 CB THR A 8 12.952 7.361 5.641 1.00 0.00 C ATOM 71 OG1 THR A 8 12.637 7.013 6.995 1.00 0.00 O ATOM 72 CG2 THR A 8 14.287 8.089 5.596 1.00 0.00 C ATOM 0 H THR A 8 10.979 9.320 6.627 1.00 0.00 H new ATOM 0 HA THR A 8 12.123 8.561 4.050 1.00 0.00 H new ATOM 0 HB THR A 8 13.032 6.454 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.354 6.456 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.063 7.452 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.537 8.327 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.218 9.011 6.174 1.00 0.00 H new ATOM 80 N ILE A 9 10.584 6.376 4.117 1.00 0.00 N ATOM 81 CA ILE A 9 9.428 5.506 3.936 1.00 0.00 C ATOM 82 C ILE A 9 9.328 4.483 5.063 1.00 0.00 C ATOM 83 O ILE A 9 8.242 4.212 5.574 1.00 0.00 O ATOM 84 CB ILE A 9 9.488 4.763 2.588 1.00 0.00 C ATOM 85 CG1 ILE A 9 9.557 5.764 1.433 1.00 0.00 C ATOM 86 CG2 ILE A 9 8.282 3.849 2.433 1.00 0.00 C ATOM 87 CD1 ILE A 9 8.242 6.459 1.156 1.00 0.00 C ATOM 0 H ILE A 9 11.396 6.122 3.555 1.00 0.00 H new ATOM 0 HA ILE A 9 8.546 6.146 3.950 1.00 0.00 H new ATOM 0 HB ILE A 9 10.389 4.150 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.315 6.514 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.881 5.244 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.339 3.331 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.273 3.118 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.368 4.442 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.366 7.154 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.485 5.717 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.926 7.007 2.044 1.00 0.00 H new ATOM 99 N SER A 10 10.470 3.920 5.446 1.00 0.00 N ATOM 100 CA SER A 10 10.511 2.925 6.512 1.00 0.00 C ATOM 101 C SER A 10 9.770 3.424 7.749 1.00 0.00 C ATOM 102 O SER A 10 8.876 2.751 8.262 1.00 0.00 O ATOM 103 CB SER A 10 11.960 2.592 6.872 1.00 0.00 C ATOM 104 OG SER A 10 12.025 1.489 7.758 1.00 0.00 O ATOM 0 H SER A 10 11.378 4.136 5.035 1.00 0.00 H new ATOM 0 HA SER A 10 10.017 2.023 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.521 2.367 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.432 3.460 7.332 1.00 0.00 H new ATOM 0 HG SER A 10 12.962 1.295 7.971 1.00 0.00 H new ATOM 110 N GLN A 11 10.149 4.607 8.222 1.00 0.00 N ATOM 111 CA GLN A 11 9.521 5.195 9.399 1.00 0.00 C ATOM 112 C GLN A 11 8.004 5.056 9.334 1.00 0.00 C ATOM 113 O GLN A 11 7.330 5.015 10.363 1.00 0.00 O ATOM 114 CB GLN A 11 9.905 6.671 9.524 1.00 0.00 C ATOM 115 CG GLN A 11 11.294 6.891 10.102 1.00 0.00 C ATOM 116 CD GLN A 11 11.590 5.976 11.274 1.00 0.00 C ATOM 117 OE1 GLN A 11 12.077 4.859 11.098 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.296 6.446 12.481 1.00 0.00 N ATOM 0 H GLN A 11 10.887 5.177 7.808 1.00 0.00 H new ATOM 0 HA GLN A 11 9.879 4.658 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.852 7.136 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.174 7.176 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.038 6.728 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.390 7.928 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.893 7.378 12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.473 5.875 13.308 1.00 0.00 H new ATOM 127 N ARG A 12 7.473 4.985 8.117 1.00 0.00 N ATOM 128 CA ARG A 12 6.035 4.852 7.918 1.00 0.00 C ATOM 129 C ARG A 12 5.579 3.421 8.185 1.00 0.00 C ATOM 130 O ARG A 12 6.337 2.463 8.033 1.00 0.00 O ATOM 131 CB ARG A 12 5.656 5.262 6.494 1.00 0.00 C ATOM 132 CG ARG A 12 6.145 6.649 6.109 1.00 0.00 C ATOM 133 CD ARG A 12 5.127 7.719 6.472 1.00 0.00 C ATOM 134 NE ARG A 12 5.519 9.037 5.979 1.00 0.00 N ATOM 135 CZ ARG A 12 4.676 10.057 5.858 1.00 0.00 C ATOM 136 NH1 ARG A 12 3.402 9.911 6.192 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.108 11.225 5.401 1.00 0.00 N ATOM 0 H ARG A 12 8.017 5.017 7.255 1.00 0.00 H new ATOM 0 HA ARG A 12 5.533 5.513 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.066 4.534 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.571 5.227 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.088 6.857 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.343 6.682 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.156 7.451 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.011 7.757 7.555 1.00 0.00 H new ATOM 0 HE ARG A 12 6.493 9.182 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.066 9.014 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.757 10.696 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.088 11.341 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.460 12.008 5.308 1.00 0.00 H new ATOM 151 N PRO A 13 4.310 3.270 8.593 1.00 0.00 N ATOM 152 CA PRO A 13 3.724 1.959 8.890 1.00 0.00 C ATOM 153 C PRO A 13 3.524 1.116 7.635 1.00 0.00 C ATOM 154 O PRO A 13 3.229 1.643 6.562 1.00 0.00 O ATOM 155 CB PRO A 13 2.374 2.309 9.520 1.00 0.00 C ATOM 156 CG PRO A 13 2.038 3.654 8.974 1.00 0.00 C ATOM 157 CD PRO A 13 3.349 4.367 8.795 1.00 0.00 C ATOM 0 HA PRO A 13 4.368 1.361 9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.613 1.574 9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.438 2.328 10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.507 3.569 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.386 4.200 9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.325 5.043 7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.602 4.967 9.669 1.00 0.00 H new ATOM 165 N TYR A 14 3.686 -0.194 7.776 1.00 0.00 N ATOM 166 CA TYR A 14 3.525 -1.110 6.653 1.00 0.00 C ATOM 167 C TYR A 14 2.189 -0.883 5.952 1.00 0.00 C ATOM 168 O TYR A 14 2.146 -0.485 4.788 1.00 0.00 O ATOM 169 CB TYR A 14 3.622 -2.560 7.132 1.00 0.00 C ATOM 170 CG TYR A 14 4.001 -3.534 6.039 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.049 -3.259 5.169 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.311 -4.729 5.877 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.398 -4.145 4.169 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.655 -5.622 4.881 1.00 0.00 C ATOM 175 CZ TYR A 14 4.698 -5.326 4.029 1.00 0.00 C ATOM 176 OH TYR A 14 5.042 -6.212 3.034 1.00 0.00 O ATOM 0 H TYR A 14 3.929 -0.646 8.657 1.00 0.00 H new ATOM 0 HA TYR A 14 4.327 -0.915 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.359 -2.621 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.664 -2.858 7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.600 -2.336 5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.492 -4.964 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.214 -3.915 3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.110 -6.548 4.770 1.00 0.00 H new ATOM 0 HH TYR A 14 5.144 -7.109 3.416 1.00 0.00 H new ATOM 186 N ARG A 15 1.100 -1.139 6.671 1.00 0.00 N ATOM 187 CA ARG A 15 -0.238 -0.963 6.119 1.00 0.00 C ATOM 188 C ARG A 15 -0.270 0.199 5.131 1.00 0.00 C ATOM 189 O ARG A 15 -0.359 -0.005 3.920 1.00 0.00 O ATOM 190 CB ARG A 15 -1.248 -0.720 7.242 1.00 0.00 C ATOM 191 CG ARG A 15 -2.506 -0.001 6.785 1.00 0.00 C ATOM 192 CD ARG A 15 -3.542 0.070 7.895 1.00 0.00 C ATOM 193 NE ARG A 15 -4.205 -1.214 8.108 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.216 -1.389 8.951 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.679 -0.366 9.658 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.767 -2.588 9.089 1.00 0.00 N ATOM 0 H ARG A 15 1.118 -1.469 7.636 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.508 -1.876 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.527 -1.678 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.771 -0.135 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.252 1.007 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.929 -0.518 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.061 0.387 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.287 0.826 7.648 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.873 -2.021 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.258 0.557 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.456 -0.503 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.414 -3.377 8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.543 -2.721 9.737 1.00 0.00 H new ATOM 210 N ASP A 16 -0.198 1.417 5.656 1.00 0.00 N ATOM 211 CA ASP A 16 -0.219 2.612 4.821 1.00 0.00 C ATOM 212 C ASP A 16 0.612 2.407 3.558 1.00 0.00 C ATOM 213 O ASP A 16 0.113 2.562 2.443 1.00 0.00 O ATOM 214 CB ASP A 16 0.308 3.816 5.603 1.00 0.00 C ATOM 215 CG ASP A 16 -0.320 5.120 5.151 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.315 5.070 4.398 1.00 0.00 O ATOM 217 OD2 ASP A 16 0.184 6.191 5.550 1.00 0.00 O ATOM 0 H ASP A 16 -0.125 1.603 6.656 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.252 2.802 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.111 3.670 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.390 3.877 5.485 1.00 0.00 H new ATOM 222 N ARG A 17 1.881 2.059 3.741 1.00 0.00 N ATOM 223 CA ARG A 17 2.782 1.835 2.616 1.00 0.00 C ATOM 224 C ARG A 17 2.143 0.911 1.584 1.00 0.00 C ATOM 225 O ARG A 17 2.287 1.115 0.379 1.00 0.00 O ATOM 226 CB ARG A 17 4.102 1.237 3.105 1.00 0.00 C ATOM 227 CG ARG A 17 4.874 2.150 4.043 1.00 0.00 C ATOM 228 CD ARG A 17 5.901 1.375 4.855 1.00 0.00 C ATOM 229 NE ARG A 17 7.190 1.296 4.174 1.00 0.00 N ATOM 230 CZ ARG A 17 8.290 0.809 4.738 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.257 0.360 5.985 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.427 0.771 4.054 1.00 0.00 N ATOM 0 H ARG A 17 2.309 1.926 4.657 1.00 0.00 H new ATOM 0 HA ARG A 17 2.980 2.797 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.898 0.295 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.727 1.004 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.376 2.926 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.180 2.652 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.032 1.854 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.529 0.368 5.044 1.00 0.00 H new ATOM 0 HE ARG A 17 7.249 1.633 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.385 0.388 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.103 -0.013 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.457 1.116 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.271 0.397 4.488 1.00 0.00 H new ATOM 246 N VAL A 18 1.437 -0.107 2.066 1.00 0.00 N ATOM 247 CA VAL A 18 0.775 -1.063 1.186 1.00 0.00 C ATOM 248 C VAL A 18 -0.360 -0.403 0.411 1.00 0.00 C ATOM 249 O VAL A 18 -0.308 -0.296 -0.815 1.00 0.00 O ATOM 250 CB VAL A 18 0.214 -2.259 1.977 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.476 -3.241 1.042 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.322 -2.946 2.761 1.00 0.00 C ATOM 0 H VAL A 18 1.309 -0.291 3.061 1.00 0.00 H new ATOM 0 HA VAL A 18 1.529 -1.422 0.485 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.526 -1.888 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.866 -4.080 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.297 -2.740 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.240 -3.608 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.908 -3.789 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.087 -3.305 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.767 -2.237 3.459 1.00 0.00 H new ATOM 262 N ILE A 19 -1.383 0.039 1.134 1.00 0.00 N ATOM 263 CA ILE A 19 -2.530 0.691 0.514 1.00 0.00 C ATOM 264 C ILE A 19 -2.085 1.773 -0.464 1.00 0.00 C ATOM 265 O ILE A 19 -2.619 1.885 -1.568 1.00 0.00 O ATOM 266 CB ILE A 19 -3.459 1.320 1.570 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.681 2.307 2.442 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.096 0.236 2.427 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.530 2.979 3.498 1.00 0.00 C ATOM 0 H ILE A 19 -1.441 -0.042 2.149 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.078 -0.081 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.252 1.864 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.860 1.781 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.237 3.071 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.750 0.696 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.679 -0.433 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.316 -0.333 2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.913 3.665 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.336 3.534 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.953 2.223 4.160 1.00 0.00 H new ATOM 281 N HIS A 20 -1.103 2.569 -0.052 1.00 0.00 N ATOM 282 CA HIS A 20 -0.584 3.642 -0.893 1.00 0.00 C ATOM 283 C HIS A 20 -0.132 3.101 -2.246 1.00 0.00 C ATOM 284 O HIS A 20 -0.127 3.822 -3.244 1.00 0.00 O ATOM 285 CB HIS A 20 0.581 4.346 -0.197 1.00 0.00 C ATOM 286 CG HIS A 20 0.159 5.505 0.652 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.128 5.458 2.030 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.249 6.750 0.311 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.282 6.623 2.499 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.518 7.425 1.476 1.00 0.00 N ATOM 0 H HIS A 20 -0.651 2.491 0.859 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.386 4.361 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.111 3.625 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.286 4.696 -0.951 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.382 4.650 2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.345 7.140 -0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.404 6.877 3.542 1.00 0.00 H new ATOM 298 N LEU A 21 0.248 1.828 -2.271 1.00 0.00 N ATOM 299 CA LEU A 21 0.703 1.190 -3.502 1.00 0.00 C ATOM 300 C LEU A 21 -0.468 0.572 -4.260 1.00 0.00 C ATOM 301 O LEU A 21 -0.613 0.769 -5.467 1.00 0.00 O ATOM 302 CB LEU A 21 1.745 0.116 -3.188 1.00 0.00 C ATOM 303 CG LEU A 21 3.118 0.623 -2.744 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.981 -0.531 -2.256 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.807 1.363 -3.881 1.00 0.00 C ATOM 0 H LEU A 21 0.250 1.218 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 21 1.157 1.955 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.348 -0.530 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.878 -0.503 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 21 2.977 1.319 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.954 -0.151 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.494 -1.018 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.114 -1.252 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.782 1.716 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.936 0.689 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.197 2.214 -4.184 1.00 0.00 H new ATOM 317 N LEU A 22 -1.302 -0.173 -3.544 1.00 0.00 N ATOM 318 CA LEU A 22 -2.462 -0.819 -4.148 1.00 0.00 C ATOM 319 C LEU A 22 -3.404 0.215 -4.757 1.00 0.00 C ATOM 320 O LEU A 22 -4.121 -0.073 -5.715 1.00 0.00 O ATOM 321 CB LEU A 22 -3.208 -1.653 -3.105 1.00 0.00 C ATOM 322 CG LEU A 22 -2.550 -2.975 -2.708 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.184 -3.527 -1.440 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.656 -3.984 -3.842 1.00 0.00 C ATOM 0 H LEU A 22 -1.197 -0.345 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.108 -1.476 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.333 -1.048 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.206 -1.867 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.494 -2.789 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.703 -4.468 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.057 -2.811 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.247 -3.698 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.183 -4.919 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.706 -4.166 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.155 -3.591 -4.727 1.00 0.00 H new ATOM 336 N ALA A 23 -3.396 1.419 -4.196 1.00 0.00 N ATOM 337 CA ALA A 23 -4.246 2.497 -4.686 1.00 0.00 C ATOM 338 C ALA A 23 -4.045 2.717 -6.182 1.00 0.00 C ATOM 339 O ALA A 23 -4.960 2.507 -6.980 1.00 0.00 O ATOM 340 CB ALA A 23 -3.966 3.781 -3.919 1.00 0.00 C ATOM 0 H ALA A 23 -2.810 1.673 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.285 2.210 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.608 4.577 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.167 3.623 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.922 4.064 -4.052 1.00 0.00 H new ATOM 346 N LEU A 24 -2.844 3.143 -6.556 1.00 0.00 N ATOM 347 CA LEU A 24 -2.522 3.394 -7.957 1.00 0.00 C ATOM 348 C LEU A 24 -3.105 2.305 -8.852 1.00 0.00 C ATOM 349 O LEU A 24 -3.703 2.592 -9.889 1.00 0.00 O ATOM 350 CB LEU A 24 -1.006 3.469 -8.147 1.00 0.00 C ATOM 351 CG LEU A 24 -0.326 4.732 -7.618 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.095 4.836 -8.151 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.130 5.969 -7.993 1.00 0.00 C ATOM 0 H LEU A 24 -2.076 3.322 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.965 4.349 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.555 2.606 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.788 3.382 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.281 4.669 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.563 5.741 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.668 3.966 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.073 4.876 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.631 6.858 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.207 6.037 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.129 5.898 -7.562 1.00 0.00 H new ATOM 365 N LYS A 25 -2.929 1.053 -8.443 1.00 0.00 N ATOM 366 CA LYS A 25 -3.439 -0.081 -9.205 1.00 0.00 C ATOM 367 C LYS A 25 -3.372 -1.364 -8.382 1.00 0.00 C ATOM 368 O LYS A 25 -2.800 -1.384 -7.293 1.00 0.00 O ATOM 369 CB LYS A 25 -2.643 -0.251 -10.501 1.00 0.00 C ATOM 370 CG LYS A 25 -1.234 -0.775 -10.284 1.00 0.00 C ATOM 371 CD LYS A 25 -0.696 -1.458 -11.530 1.00 0.00 C ATOM 372 CE LYS A 25 -1.074 -2.931 -11.566 1.00 0.00 C ATOM 373 NZ LYS A 25 -1.187 -3.441 -12.961 1.00 0.00 N ATOM 0 H LYS A 25 -2.436 0.798 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.482 0.118 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.179 -0.935 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.590 0.709 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.577 0.049 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.231 -1.479 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.087 -0.959 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.389 -1.359 -11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.325 -3.511 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.022 -3.075 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.446 -4.448 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.919 -2.904 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.275 -3.327 -13.447 1.00 0.00 H new ATOM 387 N ALA A 26 -3.959 -2.432 -8.912 1.00 0.00 N ATOM 388 CA ALA A 26 -3.963 -3.719 -8.228 1.00 0.00 C ATOM 389 C ALA A 26 -2.576 -4.353 -8.244 1.00 0.00 C ATOM 390 O ALA A 26 -1.909 -4.384 -9.278 1.00 0.00 O ATOM 391 CB ALA A 26 -4.980 -4.654 -8.868 1.00 0.00 C ATOM 0 H ALA A 26 -4.438 -2.431 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.245 -3.550 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.972 -5.611 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.974 -4.212 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.723 -4.809 -9.916 1.00 0.00 H new ATOM 397 N TYR A 27 -2.148 -4.856 -7.092 1.00 0.00 N ATOM 398 CA TYR A 27 -0.838 -5.486 -6.972 1.00 0.00 C ATOM 399 C TYR A 27 -0.963 -6.900 -6.413 1.00 0.00 C ATOM 400 O TYR A 27 -1.919 -7.220 -5.706 1.00 0.00 O ATOM 401 CB TYR A 27 0.074 -4.649 -6.074 1.00 0.00 C ATOM 402 CG TYR A 27 0.880 -3.614 -6.826 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.313 -2.404 -7.205 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.209 -3.847 -7.156 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.045 -1.456 -7.893 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.950 -2.904 -7.842 1.00 0.00 C ATOM 407 CZ TYR A 27 2.363 -1.710 -8.209 1.00 0.00 C ATOM 408 OH TYR A 27 3.097 -0.768 -8.892 1.00 0.00 O ATOM 0 H TYR A 27 -2.689 -4.840 -6.227 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.399 -5.546 -7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.533 -4.147 -5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.756 -5.313 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.718 -2.201 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.671 -4.781 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.588 -0.521 -8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.983 -3.100 -8.090 1.00 0.00 H new ATOM 0 HH TYR A 27 4.007 -1.103 -9.034 1.00 0.00 H new ATOM 418 N LYS A 28 0.011 -7.745 -6.735 1.00 0.00 N ATOM 419 CA LYS A 28 0.014 -9.125 -6.265 1.00 0.00 C ATOM 420 C LYS A 28 0.847 -9.266 -4.995 1.00 0.00 C ATOM 421 O LYS A 28 1.851 -8.575 -4.819 1.00 0.00 O ATOM 422 CB LYS A 28 0.560 -10.054 -7.352 1.00 0.00 C ATOM 423 CG LYS A 28 -0.255 -10.036 -8.633 1.00 0.00 C ATOM 424 CD LYS A 28 0.261 -8.990 -9.607 1.00 0.00 C ATOM 425 CE LYS A 28 -0.851 -8.466 -10.503 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.394 -7.327 -11.346 1.00 0.00 N ATOM 0 H LYS A 28 0.809 -7.498 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.014 -9.407 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.587 -9.768 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.591 -11.073 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.220 -11.020 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.300 -9.832 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.704 -8.162 -9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.052 -9.422 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.210 -9.271 -11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.693 -8.148 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.922 -6.469 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.622 -7.168 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.563 -7.547 -12.348 1.00 0.00 H new ATOM 440 N LYS A 29 0.426 -10.165 -4.113 1.00 0.00 N ATOM 441 CA LYS A 29 1.135 -10.399 -2.860 1.00 0.00 C ATOM 442 C LYS A 29 2.640 -10.242 -3.049 1.00 0.00 C ATOM 443 O LYS A 29 3.299 -9.466 -2.357 1.00 0.00 O ATOM 444 CB LYS A 29 0.820 -11.798 -2.326 1.00 0.00 C ATOM 445 CG LYS A 29 1.844 -12.313 -1.329 1.00 0.00 C ATOM 446 CD LYS A 29 1.523 -11.859 0.085 1.00 0.00 C ATOM 447 CE LYS A 29 2.787 -11.660 0.907 1.00 0.00 C ATOM 448 NZ LYS A 29 3.573 -12.920 1.028 1.00 0.00 N ATOM 0 H LYS A 29 -0.403 -10.744 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 29 0.798 -9.656 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.161 -11.784 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.760 -12.493 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.872 -13.402 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.836 -11.959 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.960 -10.926 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.885 -12.598 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.404 -10.890 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.521 -11.301 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.391 -12.761 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.972 -13.667 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.906 -13.213 0.087 1.00 0.00 H new ATOM 462 N PRO A 30 3.199 -10.994 -4.009 1.00 0.00 N ATOM 463 CA PRO A 30 4.632 -10.954 -4.313 1.00 0.00 C ATOM 464 C PRO A 30 5.051 -9.640 -4.962 1.00 0.00 C ATOM 465 O PRO A 30 6.004 -8.997 -4.524 1.00 0.00 O ATOM 466 CB PRO A 30 4.821 -12.118 -5.290 1.00 0.00 C ATOM 467 CG PRO A 30 3.486 -12.298 -5.926 1.00 0.00 C ATOM 468 CD PRO A 30 2.473 -11.941 -4.873 1.00 0.00 C ATOM 0 HA PRO A 30 5.241 -11.033 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.586 -11.892 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.138 -13.023 -4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.381 -11.657 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.351 -13.325 -6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.583 -11.487 -5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.143 -12.819 -4.318 1.00 0.00 H new ATOM 476 N GLU A 31 4.332 -9.247 -6.009 1.00 0.00 N ATOM 477 CA GLU A 31 4.631 -8.009 -6.719 1.00 0.00 C ATOM 478 C GLU A 31 4.658 -6.824 -5.758 1.00 0.00 C ATOM 479 O GLU A 31 5.693 -6.183 -5.573 1.00 0.00 O ATOM 480 CB GLU A 31 3.597 -7.763 -7.820 1.00 0.00 C ATOM 481 CG GLU A 31 3.917 -6.567 -8.699 1.00 0.00 C ATOM 482 CD GLU A 31 2.835 -6.291 -9.725 1.00 0.00 C ATOM 483 OE1 GLU A 31 2.831 -6.960 -10.779 1.00 0.00 O ATOM 484 OE2 GLU A 31 1.991 -5.404 -9.473 1.00 0.00 O ATOM 0 H GLU A 31 3.539 -9.768 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 31 5.617 -8.110 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.525 -8.653 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.619 -7.615 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.051 -5.686 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.863 -6.740 -9.212 1.00 0.00 H new ATOM 491 N LEU A 32 3.513 -6.538 -5.148 1.00 0.00 N ATOM 492 CA LEU A 32 3.403 -5.430 -4.206 1.00 0.00 C ATOM 493 C LEU A 32 4.659 -5.319 -3.347 1.00 0.00 C ATOM 494 O LEU A 32 5.190 -4.227 -3.143 1.00 0.00 O ATOM 495 CB LEU A 32 2.175 -5.615 -3.312 1.00 0.00 C ATOM 496 CG LEU A 32 1.511 -4.332 -2.812 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.586 -4.631 -1.642 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.562 -3.306 -2.414 1.00 0.00 C ATOM 0 H LEU A 32 2.647 -7.059 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 32 3.293 -4.509 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.433 -6.194 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.466 -6.211 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 32 0.915 -3.915 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.122 -3.706 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.188 -5.329 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.160 -5.072 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.070 -2.400 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.186 -3.714 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.184 -3.069 -3.277 1.00 0.00 H new ATOM 510 N LEU A 33 5.131 -6.457 -2.849 1.00 0.00 N ATOM 511 CA LEU A 33 6.327 -6.488 -2.014 1.00 0.00 C ATOM 512 C LEU A 33 7.518 -5.876 -2.745 1.00 0.00 C ATOM 513 O LEU A 33 8.130 -4.923 -2.265 1.00 0.00 O ATOM 514 CB LEU A 33 6.649 -7.927 -1.605 1.00 0.00 C ATOM 515 CG LEU A 33 6.009 -8.415 -0.305 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.968 -9.934 -0.268 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.764 -7.870 0.898 1.00 0.00 C ATOM 0 H LEU A 33 4.704 -7.370 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 33 6.131 -5.897 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.337 -8.591 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.731 -8.024 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 33 4.985 -8.044 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.509 -10.263 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.383 -10.303 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.983 -10.327 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.295 -8.227 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.799 -8.211 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.740 -6.780 0.879 1.00 0.00 H new ATOM 529 N ALA A 34 7.839 -6.430 -3.910 1.00 0.00 N ATOM 530 CA ALA A 34 8.953 -5.936 -4.709 1.00 0.00 C ATOM 531 C ALA A 34 9.075 -4.420 -4.604 1.00 0.00 C ATOM 532 O ALA A 34 10.179 -3.876 -4.584 1.00 0.00 O ATOM 533 CB ALA A 34 8.787 -6.355 -6.162 1.00 0.00 C ATOM 0 H ALA A 34 7.343 -7.221 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 34 9.871 -6.375 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.626 -5.979 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.758 -7.443 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.857 -5.944 -6.555 1.00 0.00 H new ATOM 539 N ARG A 35 7.933 -3.743 -4.537 1.00 0.00 N ATOM 540 CA ARG A 35 7.912 -2.289 -4.436 1.00 0.00 C ATOM 541 C ARG A 35 8.396 -1.832 -3.063 1.00 0.00 C ATOM 542 O ARG A 35 9.214 -0.918 -2.953 1.00 0.00 O ATOM 543 CB ARG A 35 6.500 -1.759 -4.693 1.00 0.00 C ATOM 544 CG ARG A 35 6.222 -1.452 -6.156 1.00 0.00 C ATOM 545 CD ARG A 35 7.019 -0.248 -6.634 1.00 0.00 C ATOM 546 NE ARG A 35 6.290 1.003 -6.442 1.00 0.00 N ATOM 547 CZ ARG A 35 6.847 2.203 -6.556 1.00 0.00 C ATOM 548 NH1 ARG A 35 8.133 2.315 -6.860 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.117 3.295 -6.368 1.00 0.00 N ATOM 0 H ARG A 35 7.011 -4.178 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 35 8.587 -1.888 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.776 -2.493 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.348 -0.854 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.472 -2.321 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.157 -1.263 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.965 -0.202 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.260 -0.369 -7.690 1.00 0.00 H new ATOM 0 HE ARG A 35 5.299 0.952 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.697 1.478 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.558 3.238 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.127 3.213 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.546 4.216 -6.456 1.00 0.00 H new ATOM 563 N LEU A 36 7.884 -2.473 -2.018 1.00 0.00 N ATOM 564 CA LEU A 36 8.263 -2.133 -0.651 1.00 0.00 C ATOM 565 C LEU A 36 9.649 -2.678 -0.319 1.00 0.00 C ATOM 566 O LEU A 36 10.547 -1.926 0.059 1.00 0.00 O ATOM 567 CB LEU A 36 7.235 -2.686 0.337 1.00 0.00 C ATOM 568 CG LEU A 36 5.805 -2.166 0.179 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.818 -3.106 0.854 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.682 -0.761 0.749 1.00 0.00 C ATOM 0 H LEU A 36 7.205 -3.231 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 36 8.290 -1.047 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.218 -3.772 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.573 -2.459 1.348 1.00 0.00 H new ATOM 0 HG LEU A 36 5.569 -2.126 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.806 -2.720 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.887 -4.094 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.053 -3.178 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.658 -0.408 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.938 -0.774 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.362 -0.093 0.220 1.00 0.00 H new ATOM 582 N GLN A 37 9.814 -3.989 -0.463 1.00 0.00 N ATOM 583 CA GLN A 37 11.090 -4.633 -0.180 1.00 0.00 C ATOM 584 C GLN A 37 12.254 -3.766 -0.649 1.00 0.00 C ATOM 585 O GLN A 37 13.302 -3.712 -0.004 1.00 0.00 O ATOM 586 CB GLN A 37 11.155 -6.004 -0.855 1.00 0.00 C ATOM 587 CG GLN A 37 10.387 -7.085 -0.112 1.00 0.00 C ATOM 588 CD GLN A 37 11.259 -7.858 0.858 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.069 -9.058 1.061 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.223 -7.174 1.463 1.00 0.00 N ATOM 0 H GLN A 37 9.080 -4.625 -0.774 1.00 0.00 H new ATOM 0 HA GLN A 37 11.170 -4.764 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.760 -5.920 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.198 -6.307 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.560 -6.629 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.951 -7.776 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.345 -6.181 1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.842 -7.642 2.126 1.00 0.00 H new ATOM 599 N LYS A 38 12.064 -3.090 -1.777 1.00 0.00 N ATOM 600 CA LYS A 38 13.097 -2.224 -2.334 1.00 0.00 C ATOM 601 C LYS A 38 13.675 -1.307 -1.261 1.00 0.00 C ATOM 602 O LYS A 38 14.875 -1.334 -0.989 1.00 0.00 O ATOM 603 CB LYS A 38 12.526 -1.387 -3.481 1.00 0.00 C ATOM 604 CG LYS A 38 12.443 -2.138 -4.799 1.00 0.00 C ATOM 605 CD LYS A 38 11.316 -1.610 -5.671 1.00 0.00 C ATOM 606 CE LYS A 38 11.764 -0.413 -6.495 1.00 0.00 C ATOM 607 NZ LYS A 38 10.987 -0.289 -7.760 1.00 0.00 N ATOM 0 H LYS A 38 11.204 -3.125 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 38 13.898 -2.856 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.530 -1.041 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.145 -0.500 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.390 -2.046 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.288 -3.199 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.967 -2.401 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.471 -1.326 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.648 0.497 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.825 -0.509 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.322 0.539 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.118 -1.147 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.978 -0.172 -7.538 1.00 0.00 H new ATOM 621 N ASP A 39 12.814 -0.498 -0.653 1.00 0.00 N ATOM 622 CA ASP A 39 13.239 0.425 0.392 1.00 0.00 C ATOM 623 C ASP A 39 13.466 -0.312 1.708 1.00 0.00 C ATOM 624 O ASP A 39 14.114 0.205 2.617 1.00 0.00 O ATOM 625 CB ASP A 39 12.196 1.527 0.584 1.00 0.00 C ATOM 626 CG ASP A 39 12.807 2.822 1.083 1.00 0.00 C ATOM 627 OD1 ASP A 39 13.660 3.390 0.369 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.432 3.267 2.188 1.00 0.00 O ATOM 0 H ASP A 39 11.817 -0.463 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 39 14.181 0.877 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.687 1.710 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.440 1.188 1.293 1.00 0.00 H new ATOM 633 N GLY A 40 12.927 -1.524 1.803 1.00 0.00 N ATOM 634 CA GLY A 40 13.080 -2.311 3.013 1.00 0.00 C ATOM 635 C GLY A 40 11.757 -2.829 3.539 1.00 0.00 C ATOM 636 O GLY A 40 10.828 -2.055 3.774 1.00 0.00 O ATOM 0 H GLY A 40 12.387 -1.975 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.743 -3.153 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.559 -1.703 3.780 1.00 0.00 H new ATOM 640 N VAL A 41 11.668 -4.142 3.725 1.00 0.00 N ATOM 641 CA VAL A 41 10.448 -4.763 4.227 1.00 0.00 C ATOM 642 C VAL A 41 10.752 -5.730 5.366 1.00 0.00 C ATOM 643 O VAL A 41 11.450 -6.725 5.178 1.00 0.00 O ATOM 644 CB VAL A 41 9.702 -5.518 3.111 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.701 -6.497 3.706 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.011 -4.539 2.175 1.00 0.00 C ATOM 0 H VAL A 41 12.427 -4.797 3.535 1.00 0.00 H new ATOM 0 HA VAL A 41 9.813 -3.959 4.598 1.00 0.00 H new ATOM 0 HB VAL A 41 10.430 -6.086 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.183 -7.021 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.226 -7.219 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.975 -5.953 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.489 -5.090 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.294 -3.942 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.754 -3.882 1.722 1.00 0.00 H new ATOM 656 N ASN A 42 10.221 -5.431 6.547 1.00 0.00 N ATOM 657 CA ASN A 42 10.435 -6.274 7.717 1.00 0.00 C ATOM 658 C ASN A 42 9.942 -7.695 7.461 1.00 0.00 C ATOM 659 O ASN A 42 9.032 -7.911 6.661 1.00 0.00 O ATOM 660 CB ASN A 42 9.720 -5.685 8.934 1.00 0.00 C ATOM 661 CG ASN A 42 10.599 -4.727 9.714 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.819 -4.710 9.547 1.00 0.00 O ATOM 663 ND2 ASN A 42 9.982 -3.924 10.573 1.00 0.00 N ATOM 0 H ASN A 42 9.639 -4.611 6.719 1.00 0.00 H new ATOM 0 HA ASN A 42 11.506 -6.311 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.821 -5.164 8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.398 -6.494 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.521 -3.259 11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.969 -3.972 10.679 1.00 0.00 H new ATOM 670 N GLN A 43 10.548 -8.659 8.147 1.00 0.00 N ATOM 671 CA GLN A 43 10.170 -10.059 7.993 1.00 0.00 C ATOM 672 C GLN A 43 8.841 -10.343 8.685 1.00 0.00 C ATOM 673 O GLN A 43 7.937 -10.937 8.098 1.00 0.00 O ATOM 674 CB GLN A 43 11.260 -10.969 8.563 1.00 0.00 C ATOM 675 CG GLN A 43 11.292 -12.350 7.928 1.00 0.00 C ATOM 676 CD GLN A 43 11.948 -13.386 8.819 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.171 -13.416 8.960 1.00 0.00 O ATOM 678 NE2 GLN A 43 11.137 -14.243 9.427 1.00 0.00 N ATOM 0 H GLN A 43 11.302 -8.496 8.814 1.00 0.00 H new ATOM 0 HA GLN A 43 10.056 -10.264 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.230 -10.492 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.108 -11.075 9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.274 -12.665 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.829 -12.298 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.129 -14.182 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.522 -14.962 10.039 1.00 0.00 H new ATOM 687 N LYS A 44 8.729 -9.914 9.938 1.00 0.00 N ATOM 688 CA LYS A 44 7.510 -10.120 10.712 1.00 0.00 C ATOM 689 C LYS A 44 6.302 -9.532 9.991 1.00 0.00 C ATOM 690 O LYS A 44 5.167 -9.955 10.214 1.00 0.00 O ATOM 691 CB LYS A 44 7.648 -9.488 12.098 1.00 0.00 C ATOM 692 CG LYS A 44 8.101 -8.038 12.063 1.00 0.00 C ATOM 693 CD LYS A 44 8.714 -7.613 13.387 1.00 0.00 C ATOM 694 CE LYS A 44 10.172 -8.034 13.487 1.00 0.00 C ATOM 695 NZ LYS A 44 11.064 -7.136 12.703 1.00 0.00 N ATOM 0 H LYS A 44 9.468 -9.421 10.439 1.00 0.00 H new ATOM 0 HA LYS A 44 7.357 -11.194 10.823 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.689 -9.548 12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.361 -10.069 12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.830 -7.903 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.251 -7.396 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.639 -6.531 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.150 -8.054 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.480 -8.029 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.280 -9.057 13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.055 -7.415 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.831 -7.211 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.931 -6.154 13.017 1.00 0.00 H new ATOM 709 N ASP A 45 6.553 -8.556 9.125 1.00 0.00 N ATOM 710 CA ASP A 45 5.485 -7.911 8.370 1.00 0.00 C ATOM 711 C ASP A 45 5.208 -8.662 7.071 1.00 0.00 C ATOM 712 O ASP A 45 4.068 -8.733 6.613 1.00 0.00 O ATOM 713 CB ASP A 45 5.853 -6.458 8.064 1.00 0.00 C ATOM 714 CG ASP A 45 5.467 -5.515 9.187 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.788 -5.966 10.133 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.842 -4.326 9.118 1.00 0.00 O ATOM 0 H ASP A 45 7.486 -8.194 8.929 1.00 0.00 H new ATOM 0 HA ASP A 45 4.581 -7.928 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.926 -6.387 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.357 -6.146 7.145 1.00 0.00 H new ATOM 721 N LYS A 46 6.260 -9.221 6.481 1.00 0.00 N ATOM 722 CA LYS A 46 6.132 -9.968 5.236 1.00 0.00 C ATOM 723 C LYS A 46 4.925 -10.900 5.282 1.00 0.00 C ATOM 724 O LYS A 46 4.105 -10.914 4.365 1.00 0.00 O ATOM 725 CB LYS A 46 7.404 -10.775 4.968 1.00 0.00 C ATOM 726 CG LYS A 46 8.485 -9.986 4.249 1.00 0.00 C ATOM 727 CD LYS A 46 9.750 -10.808 4.072 1.00 0.00 C ATOM 728 CE LYS A 46 9.575 -11.879 3.006 1.00 0.00 C ATOM 729 NZ LYS A 46 9.584 -11.301 1.633 1.00 0.00 N ATOM 0 H LYS A 46 7.211 -9.170 6.846 1.00 0.00 H new ATOM 0 HA LYS A 46 5.986 -9.253 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.801 -11.138 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.149 -11.652 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.117 -9.668 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.713 -9.082 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.576 -10.152 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.016 -11.276 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.374 -12.615 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.636 -12.407 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.868 -12.032 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.632 -10.957 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.258 -10.510 1.594 1.00 0.00 H new ATOM 743 N ASN A 47 4.824 -11.677 6.355 1.00 0.00 N ATOM 744 CA ASN A 47 3.717 -12.611 6.521 1.00 0.00 C ATOM 745 C ASN A 47 2.418 -11.869 6.820 1.00 0.00 C ATOM 746 O ASN A 47 1.347 -12.259 6.356 1.00 0.00 O ATOM 747 CB ASN A 47 4.022 -13.602 7.647 1.00 0.00 C ATOM 748 CG ASN A 47 2.773 -14.282 8.173 1.00 0.00 C ATOM 749 OD1 ASN A 47 1.934 -14.747 7.401 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.644 -14.343 9.493 1.00 0.00 N ATOM 0 H ASN A 47 5.496 -11.678 7.123 1.00 0.00 H new ATOM 0 HA ASN A 47 3.595 -13.159 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.718 -14.358 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.518 -13.078 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.824 -14.789 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.365 -13.944 10.095 1.00 0.00 H new ATOM 757 N SER A 48 2.521 -10.796 7.597 1.00 0.00 N ATOM 758 CA SER A 48 1.355 -10.000 7.961 1.00 0.00 C ATOM 759 C SER A 48 0.746 -9.335 6.730 1.00 0.00 C ATOM 760 O SER A 48 -0.459 -9.085 6.678 1.00 0.00 O ATOM 761 CB SER A 48 1.738 -8.937 8.992 1.00 0.00 C ATOM 762 OG SER A 48 2.307 -9.529 10.148 1.00 0.00 O ATOM 0 H SER A 48 3.401 -10.458 7.987 1.00 0.00 H new ATOM 0 HA SER A 48 0.612 -10.667 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.448 -8.237 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.855 -8.362 9.271 1.00 0.00 H new ATOM 0 HG SER A 48 3.276 -9.613 10.029 1.00 0.00 H new ATOM 768 N LEU A 49 1.587 -9.051 5.742 1.00 0.00 N ATOM 769 CA LEU A 49 1.133 -8.415 4.510 1.00 0.00 C ATOM 770 C LEU A 49 -0.117 -9.103 3.971 1.00 0.00 C ATOM 771 O LEU A 49 -1.141 -8.461 3.743 1.00 0.00 O ATOM 772 CB LEU A 49 2.242 -8.448 3.457 1.00 0.00 C ATOM 773 CG LEU A 49 2.199 -7.343 2.402 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.062 -7.713 1.205 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.765 -7.078 1.966 1.00 0.00 C ATOM 0 H LEU A 49 2.587 -9.251 5.770 1.00 0.00 H new ATOM 0 HA LEU A 49 0.886 -7.378 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.203 -8.397 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.203 -9.411 2.948 1.00 0.00 H new ATOM 0 HG LEU A 49 2.599 -6.430 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.019 -6.914 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.093 -7.852 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.693 -8.638 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.753 -6.288 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.339 -7.988 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.174 -6.768 2.828 1.00 0.00 H new ATOM 787 N GLY A 50 -0.025 -10.414 3.770 1.00 0.00 N ATOM 788 CA GLY A 50 -1.155 -11.167 3.260 1.00 0.00 C ATOM 789 C GLY A 50 -2.444 -10.845 3.991 1.00 0.00 C ATOM 790 O GLY A 50 -3.523 -10.867 3.400 1.00 0.00 O ATOM 0 H GLY A 50 0.812 -10.968 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.280 -10.954 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.947 -12.233 3.349 1.00 0.00 H new ATOM 794 N ALA A 51 -2.331 -10.546 5.281 1.00 0.00 N ATOM 795 CA ALA A 51 -3.496 -10.217 6.093 1.00 0.00 C ATOM 796 C ALA A 51 -3.966 -8.790 5.828 1.00 0.00 C ATOM 797 O ALA A 51 -5.163 -8.537 5.691 1.00 0.00 O ATOM 798 CB ALA A 51 -3.180 -10.404 7.570 1.00 0.00 C ATOM 0 H ALA A 51 -1.445 -10.525 5.786 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.303 -10.895 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.059 -10.155 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.900 -11.441 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.354 -9.750 7.851 1.00 0.00 H new ATOM 804 N ILE A 52 -3.016 -7.864 5.757 1.00 0.00 N ATOM 805 CA ILE A 52 -3.334 -6.463 5.508 1.00 0.00 C ATOM 806 C ILE A 52 -4.015 -6.286 4.155 1.00 0.00 C ATOM 807 O ILE A 52 -4.982 -5.534 4.029 1.00 0.00 O ATOM 808 CB ILE A 52 -2.071 -5.583 5.553 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.391 -5.698 6.919 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.424 -4.134 5.251 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.070 -5.305 6.902 1.00 0.00 C ATOM 0 H ILE A 52 -2.021 -8.058 5.868 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.015 -6.148 6.299 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.375 -5.933 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.920 -5.067 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.479 -6.725 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.521 -3.525 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.868 -4.067 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.136 -3.771 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.487 -5.411 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.613 -5.952 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.164 -4.269 6.578 1.00 0.00 H new ATOM 823 N LEU A 53 -3.506 -6.985 3.147 1.00 0.00 N ATOM 824 CA LEU A 53 -4.066 -6.907 1.802 1.00 0.00 C ATOM 825 C LEU A 53 -5.567 -7.179 1.821 1.00 0.00 C ATOM 826 O LEU A 53 -6.323 -6.591 1.048 1.00 0.00 O ATOM 827 CB LEU A 53 -3.367 -7.906 0.878 1.00 0.00 C ATOM 828 CG LEU A 53 -1.994 -7.485 0.351 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.156 -8.708 0.009 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.144 -6.582 -0.864 1.00 0.00 C ATOM 0 H LEU A 53 -2.707 -7.612 3.235 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.903 -5.897 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.255 -8.849 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.018 -8.099 0.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.481 -6.926 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.183 -8.389 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.020 -9.317 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.664 -9.295 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.158 -6.292 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.677 -7.116 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.706 -5.690 -0.587 1.00 0.00 H new ATOM 842 N GLN A 54 -5.990 -8.072 2.710 1.00 0.00 N ATOM 843 CA GLN A 54 -7.401 -8.420 2.830 1.00 0.00 C ATOM 844 C GLN A 54 -8.120 -7.461 3.773 1.00 0.00 C ATOM 845 O GLN A 54 -9.348 -7.386 3.778 1.00 0.00 O ATOM 846 CB GLN A 54 -7.552 -9.857 3.332 1.00 0.00 C ATOM 847 CG GLN A 54 -7.587 -10.891 2.218 1.00 0.00 C ATOM 848 CD GLN A 54 -8.961 -11.029 1.593 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.347 -10.238 0.732 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.708 -12.039 2.023 1.00 0.00 N ATOM 0 H GLN A 54 -5.376 -8.567 3.357 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.855 -8.338 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.725 -10.087 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.469 -9.934 3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.868 -10.614 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.273 -11.857 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.348 -12.671 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.641 -12.183 1.638 1.00 0.00 H new ATOM 859 N GLN A 55 -7.346 -6.730 4.569 1.00 0.00 N ATOM 860 CA GLN A 55 -7.910 -5.777 5.517 1.00 0.00 C ATOM 861 C GLN A 55 -8.123 -4.417 4.860 1.00 0.00 C ATOM 862 O GLN A 55 -8.968 -3.633 5.291 1.00 0.00 O ATOM 863 CB GLN A 55 -6.994 -5.631 6.733 1.00 0.00 C ATOM 864 CG GLN A 55 -7.043 -6.821 7.678 1.00 0.00 C ATOM 865 CD GLN A 55 -6.761 -6.436 9.117 1.00 0.00 C ATOM 866 OE1 GLN A 55 -7.257 -5.421 9.608 1.00 0.00 O ATOM 867 NE2 GLN A 55 -5.963 -7.246 9.801 1.00 0.00 N ATOM 0 H GLN A 55 -6.327 -6.780 4.576 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.877 -6.158 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.969 -5.492 6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.272 -4.731 7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.026 -7.288 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.315 -7.566 7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.574 -8.076 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.738 -7.038 10.774 1.00 0.00 H new ATOM 876 N VAL A 56 -7.349 -4.143 3.814 1.00 0.00 N ATOM 877 CA VAL A 56 -7.453 -2.878 3.097 1.00 0.00 C ATOM 878 C VAL A 56 -7.719 -3.108 1.613 1.00 0.00 C ATOM 879 O VAL A 56 -8.231 -2.229 0.921 1.00 0.00 O ATOM 880 CB VAL A 56 -6.172 -2.037 3.254 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.931 -1.700 4.717 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.978 -2.771 2.663 1.00 0.00 C ATOM 0 H VAL A 56 -6.643 -4.780 3.445 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.291 -2.334 3.533 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.302 -1.103 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.022 -1.106 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.777 -1.131 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.821 -2.621 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.081 -2.163 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.843 -3.721 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.153 -2.956 1.603 1.00 0.00 H new ATOM 892 N ALA A 57 -7.367 -4.296 1.132 1.00 0.00 N ATOM 893 CA ALA A 57 -7.570 -4.643 -0.269 1.00 0.00 C ATOM 894 C ALA A 57 -8.390 -5.921 -0.405 1.00 0.00 C ATOM 895 O ALA A 57 -8.754 -6.545 0.590 1.00 0.00 O ATOM 896 CB ALA A 57 -6.230 -4.796 -0.974 1.00 0.00 C ATOM 0 H ALA A 57 -6.940 -5.034 1.692 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.127 -3.834 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.396 -5.055 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.679 -3.857 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.653 -5.585 -0.492 1.00 0.00 H new ATOM 902 N ASN A 58 -8.678 -6.304 -1.645 1.00 0.00 N ATOM 903 CA ASN A 58 -9.458 -7.508 -1.911 1.00 0.00 C ATOM 904 C ASN A 58 -8.815 -8.338 -3.018 1.00 0.00 C ATOM 905 O ASN A 58 -8.535 -7.832 -4.105 1.00 0.00 O ATOM 906 CB ASN A 58 -10.890 -7.138 -2.301 1.00 0.00 C ATOM 907 CG ASN A 58 -11.645 -6.473 -1.166 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.714 -7.004 -0.057 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.215 -5.305 -1.439 1.00 0.00 N ATOM 0 H ASN A 58 -8.383 -5.799 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.481 -8.105 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.868 -6.468 -3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.423 -8.037 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.736 -4.810 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.132 -4.903 -2.373 1.00 0.00 H new ATOM 916 N LEU A 59 -8.586 -9.616 -2.735 1.00 0.00 N ATOM 917 CA LEU A 59 -7.977 -10.517 -3.707 1.00 0.00 C ATOM 918 C LEU A 59 -9.004 -10.986 -4.733 1.00 0.00 C ATOM 919 O LEU A 59 -10.070 -11.486 -4.375 1.00 0.00 O ATOM 920 CB LEU A 59 -7.363 -11.725 -2.996 1.00 0.00 C ATOM 921 CG LEU A 59 -6.295 -12.492 -3.778 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.605 -13.509 -2.883 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.911 -13.176 -4.990 1.00 0.00 C ATOM 0 H LEU A 59 -8.813 -10.051 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.191 -9.971 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.924 -11.385 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.165 -12.417 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.547 -11.781 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.849 -14.045 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.130 -12.995 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.341 -14.217 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.137 -13.717 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.680 -13.875 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.358 -12.426 -5.643 1.00 0.00 H new ATOM 935 N ASN A 60 -8.675 -10.821 -6.010 1.00 0.00 N ATOM 936 CA ASN A 60 -9.568 -11.228 -7.088 1.00 0.00 C ATOM 937 C ASN A 60 -9.070 -12.508 -7.753 1.00 0.00 C ATOM 938 O ASN A 60 -8.161 -12.475 -8.583 1.00 0.00 O ATOM 939 CB ASN A 60 -9.687 -10.113 -8.129 1.00 0.00 C ATOM 940 CG ASN A 60 -11.024 -10.130 -8.844 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.846 -11.020 -8.626 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.248 -9.142 -9.704 1.00 0.00 N ATOM 0 H ASN A 60 -7.796 -10.408 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.551 -11.421 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.551 -9.148 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.885 -10.216 -8.861 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.130 -9.100 -10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.538 -8.425 -9.853 1.00 0.00 H new ATOM 949 N SER A 61 -9.671 -13.634 -7.383 1.00 0.00 N ATOM 950 CA SER A 61 -9.287 -14.925 -7.941 1.00 0.00 C ATOM 951 C SER A 61 -9.074 -14.824 -9.448 1.00 0.00 C ATOM 952 O SER A 61 -8.349 -15.623 -10.040 1.00 0.00 O ATOM 953 CB SER A 61 -10.356 -15.975 -7.634 1.00 0.00 C ATOM 954 OG SER A 61 -11.581 -15.658 -8.273 1.00 0.00 O ATOM 0 H SER A 61 -10.426 -13.678 -6.699 1.00 0.00 H new ATOM 0 HA SER A 61 -8.347 -15.228 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.013 -16.955 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.510 -16.038 -6.557 1.00 0.00 H new ATOM 0 HG SER A 61 -12.247 -16.345 -8.062 1.00 0.00 H new ATOM 960 N LYS A 62 -9.713 -13.835 -10.064 1.00 0.00 N ATOM 961 CA LYS A 62 -9.595 -13.626 -11.502 1.00 0.00 C ATOM 962 C LYS A 62 -8.132 -13.627 -11.934 1.00 0.00 C ATOM 963 O LYS A 62 -7.685 -14.527 -12.644 1.00 0.00 O ATOM 964 CB LYS A 62 -10.255 -12.304 -11.903 1.00 0.00 C ATOM 965 CG LYS A 62 -10.770 -12.290 -13.331 1.00 0.00 C ATOM 966 CD LYS A 62 -11.995 -11.402 -13.473 1.00 0.00 C ATOM 967 CE LYS A 62 -12.926 -11.908 -14.564 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.377 -13.304 -14.306 1.00 0.00 N ATOM 0 H LYS A 62 -10.318 -13.165 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.105 -14.447 -12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.084 -12.101 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.535 -11.495 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.984 -11.937 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.018 -13.306 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.531 -11.365 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.683 -10.383 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.794 -11.253 -14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.416 -11.863 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.331 -13.438 -14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.720 -13.970 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.395 -13.479 -13.281 1.00 0.00 H new ATOM 982 N ASP A 63 -7.391 -12.613 -11.499 1.00 0.00 N ATOM 983 CA ASP A 63 -5.977 -12.499 -11.839 1.00 0.00 C ATOM 984 C ASP A 63 -5.106 -12.645 -10.595 1.00 0.00 C ATOM 985 O ASP A 63 -3.906 -12.372 -10.629 1.00 0.00 O ATOM 986 CB ASP A 63 -5.700 -11.155 -12.515 1.00 0.00 C ATOM 987 CG ASP A 63 -6.432 -11.010 -13.835 1.00 0.00 C ATOM 988 OD1 ASP A 63 -7.646 -11.298 -13.875 1.00 0.00 O ATOM 989 OD2 ASP A 63 -5.790 -10.608 -14.828 1.00 0.00 O ATOM 0 H ASP A 63 -7.746 -11.859 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.729 -13.303 -12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.998 -10.347 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.628 -11.050 -12.684 1.00 0.00 H new ATOM 994 N LEU A 64 -5.718 -13.077 -9.498 1.00 0.00 N ATOM 995 CA LEU A 64 -4.999 -13.260 -8.242 1.00 0.00 C ATOM 996 C LEU A 64 -4.306 -11.968 -7.819 1.00 0.00 C ATOM 997 O LEU A 64 -3.283 -11.996 -7.135 1.00 0.00 O ATOM 998 CB LEU A 64 -3.970 -14.383 -8.379 1.00 0.00 C ATOM 999 CG LEU A 64 -4.517 -15.808 -8.299 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.660 -16.756 -9.123 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.589 -16.272 -6.852 1.00 0.00 C ATOM 0 H LEU A 64 -6.711 -13.307 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.723 -13.531 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.458 -14.265 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.220 -14.259 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.526 -15.812 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.065 -17.766 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.661 -16.435 -10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.639 -16.748 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.981 -17.289 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.591 -16.251 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.247 -15.609 -6.290 1.00 0.00 H new ATOM 1013 N SER A 65 -4.873 -10.837 -8.228 1.00 0.00 N ATOM 1014 CA SER A 65 -4.309 -9.535 -7.893 1.00 0.00 C ATOM 1015 C SER A 65 -5.120 -8.859 -6.792 1.00 0.00 C ATOM 1016 O SER A 65 -6.350 -8.909 -6.792 1.00 0.00 O ATOM 1017 CB SER A 65 -4.264 -8.640 -9.133 1.00 0.00 C ATOM 1018 OG SER A 65 -5.569 -8.388 -9.626 1.00 0.00 O ATOM 0 H SER A 65 -5.722 -10.797 -8.792 1.00 0.00 H new ATOM 0 HA SER A 65 -3.293 -9.689 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.776 -7.697 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.664 -9.117 -9.908 1.00 0.00 H new ATOM 0 HG SER A 65 -5.514 -7.813 -10.417 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.422 -8.226 -5.855 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.076 -7.542 -4.746 1.00 0.00 C ATOM 1026 C TYR A 66 -5.513 -6.138 -5.155 1.00 0.00 C ATOM 1027 O TYR A 66 -4.701 -5.325 -5.596 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.137 -7.465 -3.541 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.058 -8.753 -2.753 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.068 -9.114 -1.871 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.972 -9.609 -2.892 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.998 -10.289 -1.148 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.895 -10.787 -2.174 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.910 -11.122 -1.303 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.838 -12.295 -0.586 1.00 0.00 O ATOM 0 H TYR A 66 -3.403 -8.173 -5.842 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.962 -8.114 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.138 -7.198 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.471 -6.665 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.923 -8.465 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.175 -9.349 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.791 -10.554 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.045 -11.442 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.009 -12.766 -0.812 1.00 0.00 H new ATOM 1045 N THR A 67 -6.805 -5.860 -5.004 1.00 0.00 N ATOM 1046 CA THR A 67 -7.352 -4.556 -5.357 1.00 0.00 C ATOM 1047 C THR A 67 -7.663 -3.735 -4.111 1.00 0.00 C ATOM 1048 O THR A 67 -8.404 -4.177 -3.232 1.00 0.00 O ATOM 1049 CB THR A 67 -8.634 -4.694 -6.200 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.656 -5.343 -5.435 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.363 -5.487 -7.470 1.00 0.00 C ATOM 0 H THR A 67 -7.491 -6.521 -4.640 1.00 0.00 H new ATOM 0 HA THR A 67 -6.592 -4.043 -5.946 1.00 0.00 H new ATOM 0 HB THR A 67 -8.969 -3.695 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.326 -6.209 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.282 -5.572 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.606 -4.975 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.006 -6.483 -7.208 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.093 -2.537 -4.040 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.310 -1.652 -2.901 1.00 0.00 C ATOM 1061 C LEU A 68 -8.796 -1.360 -2.714 1.00 0.00 C ATOM 1062 O LEU A 68 -9.488 -0.976 -3.657 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.542 -0.344 -3.092 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.065 0.348 -1.814 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.888 1.840 -2.049 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.043 0.097 -0.675 1.00 0.00 C ATOM 0 H LEU A 68 -6.477 -2.156 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.942 -2.155 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.673 -0.545 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.178 0.350 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.098 -0.072 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.548 2.315 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.149 2.000 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.840 2.276 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.688 0.597 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.024 0.489 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.119 -0.975 -0.490 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.280 -1.543 -1.490 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.682 -1.296 -1.176 1.00 0.00 C ATOM 1080 C LYS A 69 -11.108 0.093 -1.642 1.00 0.00 C ATOM 1081 O LYS A 69 -10.320 0.825 -2.240 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.922 -1.437 0.328 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.076 -2.876 0.788 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.937 -2.998 2.296 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.731 -4.444 2.722 1.00 0.00 C ATOM 1086 NZ LYS A 69 -12.025 -5.139 2.967 1.00 0.00 N ATOM 0 H LYS A 69 -8.721 -1.862 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.282 -2.037 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.090 -0.980 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.819 -0.880 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.050 -3.255 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.324 -3.497 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.095 -2.394 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.830 -2.599 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.174 -4.975 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.126 -4.473 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.842 -6.121 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.545 -4.648 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.592 -5.134 2.095 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.356 0.449 -1.362 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.886 1.751 -1.751 1.00 0.00 C ATOM 1102 C ASP A 70 -12.826 2.731 -0.583 1.00 0.00 C ATOM 1103 O ASP A 70 -12.534 3.914 -0.767 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.327 1.614 -2.244 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.230 0.957 -1.218 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.809 -0.055 -0.620 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.357 1.454 -1.015 1.00 0.00 O ATOM 0 H ASP A 70 -13.020 -0.146 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.270 2.139 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.719 2.601 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.339 1.028 -3.163 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.105 2.233 0.616 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.086 3.066 1.813 1.00 0.00 C ATOM 1114 C TYR A 71 -11.661 3.482 2.165 1.00 0.00 C ATOM 1115 O TYR A 71 -11.401 4.644 2.480 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.716 2.319 2.989 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.710 1.595 3.855 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.254 0.328 3.512 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.217 2.177 5.016 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.335 -0.338 4.301 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.297 1.519 5.810 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.860 0.262 5.448 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.945 -0.397 6.237 1.00 0.00 O ATOM 0 H TYR A 71 -13.347 1.257 0.785 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.667 3.965 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.269 3.028 3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.438 1.598 2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.624 -0.144 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.559 3.161 5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.991 -1.323 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.922 1.986 6.709 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.712 0.164 7.006 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.741 2.525 2.108 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.341 2.791 2.418 1.00 0.00 C ATOM 1135 C VAL A 72 -8.832 4.011 1.659 1.00 0.00 C ATOM 1136 O VAL A 72 -7.973 4.746 2.148 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.451 1.580 2.078 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.006 1.855 2.464 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.968 0.329 2.771 1.00 0.00 C ATOM 0 H VAL A 72 -10.940 1.558 1.850 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.285 2.984 3.489 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.489 1.413 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.392 0.989 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.643 2.725 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.946 2.048 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.328 -0.517 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.961 0.482 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.986 0.124 2.440 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.367 4.222 0.461 1.00 0.00 N ATOM 1150 CA PHE A 73 -8.967 5.353 -0.367 1.00 0.00 C ATOM 1151 C PHE A 73 -8.951 6.644 0.447 1.00 0.00 C ATOM 1152 O PHE A 73 -8.131 7.531 0.210 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.914 5.500 -1.560 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.648 4.514 -2.661 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.355 4.278 -3.100 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.691 3.825 -3.258 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.107 3.371 -4.113 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.449 2.916 -4.271 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.156 2.690 -4.700 1.00 0.00 C ATOM 0 H PHE A 73 -10.079 3.624 0.042 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.959 5.163 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.941 5.380 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.828 6.511 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.532 4.809 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.704 4.000 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.095 3.195 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.270 2.383 -4.727 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.965 1.982 -5.493 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.865 6.742 1.407 1.00 0.00 N ATOM 1170 CA LYS A 74 -9.958 7.923 2.257 1.00 0.00 C ATOM 1171 C LYS A 74 -8.829 7.945 3.282 1.00 0.00 C ATOM 1172 O LYS A 74 -8.366 9.012 3.685 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.311 7.956 2.972 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.323 7.194 4.287 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.615 7.425 5.053 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.668 8.823 5.649 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.550 8.882 6.847 1.00 0.00 N ATOM 0 H LYS A 74 -10.552 6.017 1.616 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.867 8.805 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.588 8.993 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.071 7.538 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.200 6.129 4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.476 7.507 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.465 7.280 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.704 6.686 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.662 9.139 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.029 9.525 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.559 9.851 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.516 8.605 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.191 8.231 7.575 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.390 6.762 3.699 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.314 6.647 4.676 1.00 0.00 C ATOM 1193 C GLU A 75 -5.977 7.055 4.064 1.00 0.00 C ATOM 1194 O GLU A 75 -5.022 7.365 4.778 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.228 5.215 5.209 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.460 4.779 5.983 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.147 3.737 7.039 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.225 3.970 7.848 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.824 2.687 7.055 1.00 0.00 O ATOM 0 H GLU A 75 -8.763 5.869 3.375 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.536 7.321 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.075 4.533 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.354 5.128 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.912 5.649 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.197 4.377 5.288 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.915 7.052 2.737 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.695 7.421 2.027 1.00 0.00 C ATOM 1208 C LEU A 76 -4.347 8.886 2.268 1.00 0.00 C ATOM 1209 O LEU A 76 -5.078 9.603 2.950 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.857 7.163 0.528 1.00 0.00 C ATOM 1211 CG LEU A 76 -4.969 5.697 0.107 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.414 5.590 -1.343 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.642 4.980 0.314 1.00 0.00 C ATOM 0 H LEU A 76 -6.695 6.798 2.131 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.880 6.806 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.748 7.688 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.006 7.605 0.010 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.721 5.216 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.488 4.540 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.387 6.067 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.686 6.087 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.740 3.938 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.870 5.462 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.364 5.025 1.367 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.227 9.323 1.701 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.784 10.704 1.853 1.00 0.00 C ATOM 1227 C GLN A 77 -2.081 11.193 0.591 1.00 0.00 C ATOM 1228 O GLN A 77 -1.130 10.570 0.118 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.845 10.831 3.055 1.00 0.00 C ATOM 1230 CG GLN A 77 -2.420 10.255 4.339 1.00 0.00 C ATOM 1231 CD GLN A 77 -1.894 10.952 5.578 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.094 12.153 5.761 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -1.216 10.200 6.438 1.00 0.00 N ATOM 0 H GLN A 77 -2.611 8.742 1.133 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.664 11.325 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.907 10.325 2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.610 11.884 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.507 10.337 4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.181 9.193 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.074 9.208 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.838 10.614 7.290 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.556 12.310 0.050 1.00 0.00 N ATOM 1243 CA ARG A 78 -1.974 12.881 -1.159 1.00 0.00 C ATOM 1244 C ARG A 78 -0.556 13.378 -0.897 1.00 0.00 C ATOM 1245 O ARG A 78 0.221 13.589 -1.829 1.00 0.00 O ATOM 1246 CB ARG A 78 -2.842 14.030 -1.674 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.093 13.569 -2.405 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.555 14.600 -3.423 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.833 14.236 -4.028 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.996 14.312 -3.391 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.041 14.736 -2.136 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -8.117 13.963 -4.009 1.00 0.00 N ATOM 0 H ARG A 78 -3.342 12.838 0.430 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.932 12.099 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.134 14.659 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.248 14.651 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.894 12.623 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.890 13.385 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.647 15.572 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.801 14.703 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.833 13.905 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.181 15.005 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.935 14.794 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.086 13.636 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.009 14.022 -3.518 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.225 13.563 0.376 1.00 0.00 N ATOM 1267 CA ASP A 79 1.100 14.035 0.761 1.00 0.00 C ATOM 1268 C ASP A 79 2.108 12.890 0.754 1.00 0.00 C ATOM 1269 O ASP A 79 3.303 13.102 0.958 1.00 0.00 O ATOM 1270 CB ASP A 79 1.052 14.681 2.146 1.00 0.00 C ATOM 1271 CG ASP A 79 2.320 15.445 2.473 1.00 0.00 C ATOM 1272 OD1 ASP A 79 2.554 16.500 1.847 1.00 0.00 O ATOM 1273 OD2 ASP A 79 3.079 14.988 3.354 1.00 0.00 O ATOM 0 H ASP A 79 -0.856 13.393 1.159 1.00 0.00 H new ATOM 0 HA ASP A 79 1.419 14.780 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.200 15.358 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.892 13.909 2.899 1.00 0.00 H new ATOM 1278 N TRP A 80 1.617 11.679 0.520 1.00 0.00 N ATOM 1279 CA TRP A 80 2.475 10.500 0.489 1.00 0.00 C ATOM 1280 C TRP A 80 3.645 10.704 -0.467 1.00 0.00 C ATOM 1281 O TRP A 80 3.475 11.109 -1.617 1.00 0.00 O ATOM 1282 CB TRP A 80 1.669 9.268 0.072 1.00 0.00 C ATOM 1283 CG TRP A 80 2.411 7.980 0.263 1.00 0.00 C ATOM 1284 CD1 TRP A 80 3.017 7.232 -0.707 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.624 7.288 1.498 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.594 6.117 -0.148 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.368 6.129 1.203 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.261 7.536 2.824 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.752 5.221 2.186 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.643 6.635 3.799 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.383 5.489 3.477 1.00 0.00 C ATOM 0 H TRP A 80 0.630 11.487 0.349 1.00 0.00 H new ATOM 0 HA TRP A 80 2.872 10.344 1.492 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.745 9.235 0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.387 9.365 -0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.039 7.480 -1.758 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.107 5.397 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.692 8.417 3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.321 4.337 1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.367 6.817 4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.668 4.804 4.262 1.00 0.00 H new ATOM 1302 N PRO A 81 4.863 10.417 0.017 1.00 0.00 N ATOM 1303 CA PRO A 81 6.085 10.561 -0.780 1.00 0.00 C ATOM 1304 C PRO A 81 6.176 9.524 -1.894 1.00 0.00 C ATOM 1305 O PRO A 81 6.815 9.756 -2.920 1.00 0.00 O ATOM 1306 CB PRO A 81 7.203 10.345 0.244 1.00 0.00 C ATOM 1307 CG PRO A 81 6.583 9.511 1.312 1.00 0.00 C ATOM 1308 CD PRO A 81 5.140 9.929 1.378 1.00 0.00 C ATOM 0 HA PRO A 81 6.131 11.526 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.059 9.841 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.564 11.293 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.672 8.450 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.080 9.670 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.492 9.094 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.981 10.708 2.124 1.00 0.00 H new ATOM 1316 N GLY A 82 5.533 8.379 -1.686 1.00 0.00 N ATOM 1317 CA GLY A 82 5.554 7.324 -2.682 1.00 0.00 C ATOM 1318 C GLY A 82 5.063 7.796 -4.036 1.00 0.00 C ATOM 1319 O GLY A 82 5.389 7.202 -5.064 1.00 0.00 O ATOM 0 H GLY A 82 4.998 8.163 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.570 6.941 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.933 6.495 -2.342 1.00 0.00 H new ATOM 1323 N TYR A 83 4.275 8.865 -4.038 1.00 0.00 N ATOM 1324 CA TYR A 83 3.734 9.414 -5.276 1.00 0.00 C ATOM 1325 C TYR A 83 4.609 10.550 -5.797 1.00 0.00 C ATOM 1326 O TYR A 83 4.742 11.591 -5.153 1.00 0.00 O ATOM 1327 CB TYR A 83 2.306 9.916 -5.055 1.00 0.00 C ATOM 1328 CG TYR A 83 1.385 8.876 -4.457 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.403 7.562 -4.909 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.495 9.207 -3.443 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.563 6.608 -4.367 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.347 8.260 -2.894 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.310 6.962 -3.359 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.149 6.017 -2.816 1.00 0.00 O ATOM 0 H TYR A 83 3.996 9.369 -3.196 1.00 0.00 H new ATOM 0 HA TYR A 83 3.721 8.618 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.333 10.786 -4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.895 10.248 -6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.085 7.282 -5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.461 10.223 -3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.590 5.591 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.031 8.534 -2.105 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.056 5.175 -3.309 1.00 0.00 H new ATOM 1344 N SER A 84 5.203 10.342 -6.967 1.00 0.00 N ATOM 1345 CA SER A 84 6.068 11.346 -7.575 1.00 0.00 C ATOM 1346 C SER A 84 5.245 12.489 -8.161 1.00 0.00 C ATOM 1347 O SER A 84 4.022 12.517 -8.030 1.00 0.00 O ATOM 1348 CB SER A 84 6.931 10.712 -8.667 1.00 0.00 C ATOM 1349 OG SER A 84 7.827 9.759 -8.121 1.00 0.00 O ATOM 0 H SER A 84 5.101 9.487 -7.513 1.00 0.00 H new ATOM 0 HA SER A 84 6.717 11.750 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.291 10.232 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.493 11.488 -9.187 1.00 0.00 H new ATOM 0 HG SER A 84 8.366 9.367 -8.840 1.00 0.00 H new ATOM 1355 N GLU A 85 5.927 13.431 -8.806 1.00 0.00 N ATOM 1356 CA GLU A 85 5.259 14.577 -9.411 1.00 0.00 C ATOM 1357 C GLU A 85 4.088 14.128 -10.281 1.00 0.00 C ATOM 1358 O GLU A 85 3.156 14.894 -10.529 1.00 0.00 O ATOM 1359 CB GLU A 85 6.249 15.388 -10.249 1.00 0.00 C ATOM 1360 CG GLU A 85 5.583 16.295 -11.270 1.00 0.00 C ATOM 1361 CD GLU A 85 4.780 17.408 -10.625 1.00 0.00 C ATOM 1362 OE1 GLU A 85 5.393 18.407 -10.194 1.00 0.00 O ATOM 1363 OE2 GLU A 85 3.540 17.281 -10.552 1.00 0.00 O ATOM 0 H GLU A 85 6.940 13.423 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 85 4.873 15.205 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.864 15.994 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.920 14.703 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.345 16.730 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.927 15.700 -11.906 1.00 0.00 H new ATOM 1370 N ILE A 86 4.144 12.883 -10.741 1.00 0.00 N ATOM 1371 CA ILE A 86 3.088 12.332 -11.582 1.00 0.00 C ATOM 1372 C ILE A 86 2.091 11.526 -10.755 1.00 0.00 C ATOM 1373 O ILE A 86 0.919 11.888 -10.652 1.00 0.00 O ATOM 1374 CB ILE A 86 3.664 11.432 -12.691 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.743 12.181 -13.476 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.556 10.961 -13.620 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.118 12.088 -12.854 1.00 0.00 C ATOM 0 H ILE A 86 4.909 12.237 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 86 2.576 13.178 -12.041 1.00 0.00 H new ATOM 0 HB ILE A 86 4.119 10.556 -12.228 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.784 11.784 -14.490 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.460 13.231 -13.556 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.979 10.326 -14.398 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.820 10.395 -13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.074 11.824 -14.078 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.832 12.642 -13.464 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.093 12.512 -11.850 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.422 11.043 -12.799 1.00 0.00 H new ATOM 1389 N ASP A 87 2.565 10.434 -10.167 1.00 0.00 N ATOM 1390 CA ASP A 87 1.717 9.577 -9.347 1.00 0.00 C ATOM 1391 C ASP A 87 0.678 10.403 -8.594 1.00 0.00 C ATOM 1392 O ASP A 87 -0.522 10.143 -8.686 1.00 0.00 O ATOM 1393 CB ASP A 87 2.566 8.778 -8.357 1.00 0.00 C ATOM 1394 CG ASP A 87 3.464 7.770 -9.047 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.326 8.193 -9.845 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.303 6.558 -8.791 1.00 0.00 O ATOM 0 H ASP A 87 3.533 10.121 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 87 1.196 8.884 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.178 9.464 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.911 8.258 -7.658 1.00 0.00 H new ATOM 1401 N ARG A 88 1.148 11.398 -7.848 1.00 0.00 N ATOM 1402 CA ARG A 88 0.260 12.260 -7.077 1.00 0.00 C ATOM 1403 C ARG A 88 -0.940 12.691 -7.914 1.00 0.00 C ATOM 1404 O ARG A 88 -2.088 12.544 -7.493 1.00 0.00 O ATOM 1405 CB ARG A 88 1.018 13.492 -6.578 1.00 0.00 C ATOM 1406 CG ARG A 88 2.058 13.178 -5.516 1.00 0.00 C ATOM 1407 CD ARG A 88 2.698 14.446 -4.972 1.00 0.00 C ATOM 1408 NE ARG A 88 1.716 15.333 -4.353 1.00 0.00 N ATOM 1409 CZ ARG A 88 0.993 16.216 -5.033 1.00 0.00 C ATOM 1410 NH1 ARG A 88 1.141 16.330 -6.345 1.00 0.00 N ATOM 1411 NH2 ARG A 88 0.120 16.988 -4.399 1.00 0.00 N ATOM 0 H ARG A 88 2.138 11.627 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.103 11.693 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.509 13.973 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.303 14.209 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.592 12.626 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.828 12.533 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.460 14.182 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.203 14.973 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 88 1.578 15.271 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.812 15.739 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.584 17.009 -6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.004 16.904 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.435 17.666 -4.921 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.667 13.225 -9.099 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.724 13.680 -9.994 1.00 0.00 C ATOM 1427 C ARG A 89 -2.465 12.495 -10.607 1.00 0.00 C ATOM 1428 O ARG A 89 -3.600 12.629 -11.064 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.141 14.559 -11.103 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.380 13.778 -12.162 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.461 14.457 -13.520 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.633 14.027 -14.278 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.038 14.611 -15.400 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.367 15.644 -15.893 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.115 14.162 -16.032 1.00 0.00 N ATOM 0 H ARG A 89 0.277 13.353 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.432 14.267 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.951 15.110 -11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.473 15.296 -10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.664 13.681 -11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.786 12.769 -12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.494 15.538 -13.383 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.441 14.235 -14.090 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.170 13.234 -13.926 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.538 15.991 -15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.680 16.091 -16.755 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.633 13.368 -15.656 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.425 14.611 -16.894 1.00 0.00 H new ATOM 1449 N SER A 90 -1.814 11.336 -10.614 1.00 0.00 N ATOM 1450 CA SER A 90 -2.409 10.128 -11.174 1.00 0.00 C ATOM 1451 C SER A 90 -3.277 9.420 -10.138 1.00 0.00 C ATOM 1452 O SER A 90 -4.092 8.561 -10.478 1.00 0.00 O ATOM 1453 CB SER A 90 -1.317 9.182 -11.675 1.00 0.00 C ATOM 1454 OG SER A 90 -0.998 9.443 -13.031 1.00 0.00 O ATOM 0 H SER A 90 -0.874 11.208 -10.238 1.00 0.00 H new ATOM 0 HA SER A 90 -3.041 10.418 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.424 9.294 -11.060 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.649 8.149 -11.569 1.00 0.00 H new ATOM 0 HG SER A 90 -0.296 8.826 -13.327 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.095 9.785 -8.874 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.861 9.185 -7.787 1.00 0.00 C ATOM 1462 C LEU A 91 -5.120 9.996 -7.495 1.00 0.00 C ATOM 1463 O LEU A 91 -6.197 9.436 -7.297 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.001 9.085 -6.526 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.749 9.170 -5.195 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.025 8.371 -4.123 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.907 10.621 -4.765 1.00 0.00 C ATOM 0 H LEU A 91 -2.424 10.493 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.160 8.183 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.458 8.140 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.257 9.881 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.742 8.741 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.572 8.444 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.963 7.326 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.019 8.770 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.441 10.663 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.923 11.075 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.470 11.166 -5.523 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.974 11.317 -7.472 1.00 0.00 N ATOM 1480 CA GLU A 92 -6.100 12.204 -7.206 1.00 0.00 C ATOM 1481 C GLU A 92 -7.300 11.836 -8.074 1.00 0.00 C ATOM 1482 O GLU A 92 -8.436 12.199 -7.769 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.702 13.660 -7.458 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.330 13.947 -8.903 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.139 15.427 -9.173 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -4.665 16.139 -8.263 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.463 15.873 -10.293 1.00 0.00 O ATOM 0 H GLU A 92 -4.088 11.796 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.381 12.088 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.528 14.309 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.858 13.913 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.411 13.415 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.110 13.559 -9.559 1.00 0.00 H new ATOM 1494 N SER A 93 -7.039 11.112 -9.158 1.00 0.00 N ATOM 1495 CA SER A 93 -8.096 10.698 -10.073 1.00 0.00 C ATOM 1496 C SER A 93 -8.948 9.594 -9.455 1.00 0.00 C ATOM 1497 O SER A 93 -10.150 9.764 -9.247 1.00 0.00 O ATOM 1498 CB SER A 93 -7.495 10.214 -11.394 1.00 0.00 C ATOM 1499 OG SER A 93 -8.453 10.259 -12.438 1.00 0.00 O ATOM 0 H SER A 93 -6.105 10.800 -9.424 1.00 0.00 H new ATOM 0 HA SER A 93 -8.734 11.561 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.638 10.834 -11.656 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.127 9.195 -11.278 1.00 0.00 H new ATOM 0 HG SER A 93 -8.043 9.946 -13.272 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.318 8.461 -9.164 1.00 0.00 N ATOM 1506 CA VAL A 94 -9.016 7.328 -8.568 1.00 0.00 C ATOM 1507 C VAL A 94 -9.901 7.776 -7.410 1.00 0.00 C ATOM 1508 O VAL A 94 -11.113 7.555 -7.419 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.027 6.262 -8.061 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.769 5.141 -7.349 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.197 5.715 -9.213 1.00 0.00 C ATOM 0 H VAL A 94 -7.324 8.303 -9.331 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.638 6.892 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.351 6.730 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.054 4.397 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.315 5.549 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.470 4.673 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.503 4.963 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.856 5.262 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.636 6.527 -9.675 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.289 8.406 -6.414 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.021 8.887 -5.247 1.00 0.00 C ATOM 1523 C LEU A 95 -11.233 9.712 -5.667 1.00 0.00 C ATOM 1524 O LEU A 95 -12.268 9.696 -5.001 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.104 9.724 -4.354 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.784 9.068 -3.946 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.923 10.046 -3.162 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.043 7.810 -3.130 1.00 0.00 C ATOM 0 H LEU A 95 -8.287 8.596 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.371 8.021 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.879 10.657 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.652 9.986 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.246 8.785 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.988 9.562 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.709 10.918 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.455 10.360 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.092 7.357 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.602 8.068 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.620 7.103 -3.725 1.00 0.00 H new ATOM 1540 N SER A 96 -11.097 10.432 -6.776 1.00 0.00 N ATOM 1541 CA SER A 96 -12.180 11.265 -7.284 1.00 0.00 C ATOM 1542 C SER A 96 -13.321 10.406 -7.821 1.00 0.00 C ATOM 1543 O SER A 96 -14.495 10.698 -7.589 1.00 0.00 O ATOM 1544 CB SER A 96 -11.665 12.193 -8.386 1.00 0.00 C ATOM 1545 OG SER A 96 -12.658 13.128 -8.772 1.00 0.00 O ATOM 0 H SER A 96 -10.247 10.455 -7.340 1.00 0.00 H new ATOM 0 HA SER A 96 -12.559 11.867 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.779 12.723 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.362 11.603 -9.250 1.00 0.00 H new ATOM 0 HG SER A 96 -12.303 13.710 -9.476 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.968 9.345 -8.539 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.961 8.443 -9.110 1.00 0.00 C ATOM 1553 C ARG A 97 -14.657 7.639 -8.016 1.00 0.00 C ATOM 1554 O ARG A 97 -15.882 7.512 -8.007 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.303 7.496 -10.114 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.372 8.195 -11.092 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.306 7.459 -12.421 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.127 7.835 -13.197 1.00 0.00 N ATOM 1559 CZ ARG A 97 -10.891 7.403 -14.430 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -11.747 6.584 -15.025 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -9.796 7.790 -15.071 1.00 0.00 N ATOM 0 H ARG A 97 -12.001 9.089 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.709 9.045 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.741 6.737 -9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.081 6.977 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.716 9.216 -11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.373 8.261 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.293 6.384 -12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.204 7.674 -12.999 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.448 8.464 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.590 6.284 -14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.563 6.254 -15.972 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.135 8.420 -14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.615 7.458 -16.018 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.868 7.097 -7.094 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.407 6.306 -5.994 1.00 0.00 C ATOM 1577 C LYS A 98 -15.168 7.188 -5.010 1.00 0.00 C ATOM 1578 O LYS A 98 -16.390 7.091 -4.890 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.279 5.569 -5.268 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.416 4.722 -6.187 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.111 3.426 -6.568 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.300 2.636 -7.584 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.706 1.204 -7.625 1.00 0.00 N ATOM 0 H LYS A 98 -12.852 7.191 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.101 5.576 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.648 6.298 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.711 4.930 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.179 5.287 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.470 4.497 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.268 2.820 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.096 3.647 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.427 3.078 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.241 2.706 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.130 0.700 -8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.561 0.775 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.710 1.135 -7.886 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.439 8.050 -4.309 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.046 8.952 -3.336 1.00 0.00 C ATOM 1599 C LEU A 99 -15.964 9.957 -4.024 1.00 0.00 C ATOM 1600 O LEU A 99 -15.519 11.015 -4.469 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.961 9.689 -2.549 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.937 8.809 -1.832 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.731 9.632 -1.406 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.570 8.125 -0.630 1.00 0.00 C ATOM 0 H LEU A 99 -13.427 8.143 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.644 8.355 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.428 10.348 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.446 10.325 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.599 8.039 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.013 8.989 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.263 10.074 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.052 10.424 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.826 7.503 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.937 8.879 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.401 7.502 -0.962 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.247 9.620 -4.106 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.228 10.495 -4.738 1.00 0.00 C ATOM 1618 C ASN A 100 -18.177 11.895 -4.135 1.00 0.00 C ATOM 1619 O ASN A 100 -18.387 12.072 -2.935 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.634 9.912 -4.586 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.211 10.149 -3.204 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.808 9.508 -2.233 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.161 11.072 -3.109 1.00 0.00 N ATOM 0 H ASN A 100 -17.632 8.748 -3.743 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.985 10.567 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.292 10.357 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.604 8.841 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.587 11.274 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.464 11.579 -3.940 1.00 0.00 H new TER 1630 ASN A 100