USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 772 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 26 SER OG : rot -179:sc= -0.0237 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 161:sc= -0.0991 (180deg=-0.502) USER MOD Single : A 15 THR OG1 : rot 39:sc= -0.317 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.161 F(o=-1,f=-0.16) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 92:sc= 0.0521 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.782 (180deg=-1.21) USER MOD Single : A 63 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-3.1!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 75 MET CE :methyl -146:sc= -4.63! (180deg=-7.23!) USER MOD Single : A 88 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 79:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.515 33.549 -5.835 1.00 0.00 N ATOM 2 CA GLY A 1 17.712 34.190 -4.548 1.00 0.00 C ATOM 3 C GLY A 1 17.738 33.197 -3.403 1.00 0.00 C ATOM 4 O GLY A 1 18.760 33.033 -2.738 1.00 0.00 O ATOM 0 H1 GLY A 1 17.505 34.270 -6.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.290 32.878 -6.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.609 33.039 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.649 34.747 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.914 34.913 -4.380 1.00 0.00 H new ATOM 8 N SER A 2 16.609 32.534 -3.172 1.00 0.00 N ATOM 9 CA SER A 2 16.505 31.555 -2.096 1.00 0.00 C ATOM 10 C SER A 2 17.351 30.322 -2.399 1.00 0.00 C ATOM 11 O SER A 2 17.878 30.173 -3.501 1.00 0.00 O ATOM 12 CB SER A 2 15.045 31.148 -1.888 1.00 0.00 C ATOM 13 OG SER A 2 14.261 32.254 -1.474 1.00 0.00 O ATOM 0 H SER A 2 15.754 32.657 -3.715 1.00 0.00 H new ATOM 0 HA SER A 2 16.880 32.015 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.642 30.740 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.988 30.357 -1.140 1.00 0.00 H new ATOM 0 HG SER A 2 13.332 31.968 -1.350 1.00 0.00 H new ATOM 19 N SER A 3 17.476 29.441 -1.411 1.00 0.00 N ATOM 20 CA SER A 3 18.260 28.222 -1.570 1.00 0.00 C ATOM 21 C SER A 3 17.551 27.235 -2.492 1.00 0.00 C ATOM 22 O SER A 3 18.169 26.633 -3.368 1.00 0.00 O ATOM 23 CB SER A 3 18.514 27.573 -0.207 1.00 0.00 C ATOM 24 OG SER A 3 19.335 28.394 0.604 1.00 0.00 O ATOM 0 H SER A 3 17.045 29.549 -0.493 1.00 0.00 H new ATOM 0 HA SER A 3 19.215 28.490 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.564 27.393 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.990 26.602 -0.346 1.00 0.00 H new ATOM 0 HG SER A 3 19.481 27.958 1.469 1.00 0.00 H new ATOM 30 N GLY A 4 16.247 27.076 -2.287 1.00 0.00 N ATOM 31 CA GLY A 4 15.473 26.161 -3.106 1.00 0.00 C ATOM 32 C GLY A 4 14.899 25.009 -2.306 1.00 0.00 C ATOM 33 O GLY A 4 15.046 24.959 -1.085 1.00 0.00 O ATOM 0 H GLY A 4 15.713 27.564 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.660 26.707 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.105 25.767 -3.902 1.00 0.00 H new ATOM 37 N SER A 5 14.240 24.083 -2.994 1.00 0.00 N ATOM 38 CA SER A 5 13.636 22.929 -2.339 1.00 0.00 C ATOM 39 C SER A 5 14.068 21.632 -3.015 1.00 0.00 C ATOM 40 O SER A 5 14.507 20.690 -2.355 1.00 0.00 O ATOM 41 CB SER A 5 12.110 23.045 -2.359 1.00 0.00 C ATOM 42 OG SER A 5 11.525 22.248 -1.345 1.00 0.00 O ATOM 0 H SER A 5 14.111 24.109 -4.005 1.00 0.00 H new ATOM 0 HA SER A 5 13.978 22.910 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.819 24.086 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.731 22.735 -3.333 1.00 0.00 H new ATOM 0 HG SER A 5 10.550 22.341 -1.378 1.00 0.00 H new ATOM 48 N SER A 6 13.940 21.591 -4.338 1.00 0.00 N ATOM 49 CA SER A 6 14.314 20.408 -5.105 1.00 0.00 C ATOM 50 C SER A 6 15.826 20.210 -5.096 1.00 0.00 C ATOM 51 O SER A 6 16.587 21.140 -5.360 1.00 0.00 O ATOM 52 CB SER A 6 13.813 20.530 -6.546 1.00 0.00 C ATOM 53 OG SER A 6 13.794 19.267 -7.188 1.00 0.00 O ATOM 0 H SER A 6 13.581 22.362 -4.900 1.00 0.00 H new ATOM 0 HA SER A 6 13.849 19.540 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.811 20.959 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.455 21.214 -7.101 1.00 0.00 H new ATOM 0 HG SER A 6 13.469 19.372 -8.106 1.00 0.00 H new ATOM 59 N GLY A 7 16.255 18.989 -4.789 1.00 0.00 N ATOM 60 CA GLY A 7 17.674 18.689 -4.750 1.00 0.00 C ATOM 61 C GLY A 7 18.062 17.593 -5.723 1.00 0.00 C ATOM 62 O GLY A 7 17.238 16.773 -6.128 1.00 0.00 O ATOM 0 H GLY A 7 15.645 18.203 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.240 19.592 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.951 18.388 -3.740 1.00 0.00 H new ATOM 66 N PRO A 8 19.345 17.569 -6.113 1.00 0.00 N ATOM 67 CA PRO A 8 19.869 16.571 -7.050 1.00 0.00 C ATOM 68 C PRO A 8 19.408 15.158 -6.709 1.00 0.00 C ATOM 69 O PRO A 8 19.337 14.291 -7.580 1.00 0.00 O ATOM 70 CB PRO A 8 21.386 16.693 -6.885 1.00 0.00 C ATOM 71 CG PRO A 8 21.609 18.101 -6.453 1.00 0.00 C ATOM 72 CD PRO A 8 20.383 18.515 -5.670 1.00 0.00 C ATOM 0 HA PRO A 8 19.522 16.745 -8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.761 15.988 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.904 16.479 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 8 22.506 18.180 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.756 18.752 -7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.553 18.447 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.102 19.546 -5.884 1.00 0.00 H new ATOM 80 N ASP A 9 19.096 14.933 -5.437 1.00 0.00 N ATOM 81 CA ASP A 9 18.640 13.625 -4.981 1.00 0.00 C ATOM 82 C ASP A 9 17.146 13.451 -5.237 1.00 0.00 C ATOM 83 O ASP A 9 16.352 14.356 -4.980 1.00 0.00 O ATOM 84 CB ASP A 9 18.940 13.447 -3.492 1.00 0.00 C ATOM 85 CG ASP A 9 20.375 13.792 -3.145 1.00 0.00 C ATOM 86 OD1 ASP A 9 21.279 13.419 -3.922 1.00 0.00 O ATOM 87 OD2 ASP A 9 20.593 14.436 -2.098 1.00 0.00 O ATOM 0 H ASP A 9 19.151 15.640 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 9 19.178 12.863 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.267 14.078 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.738 12.415 -3.204 1.00 0.00 H new ATOM 92 N VAL A 10 16.770 12.282 -5.745 1.00 0.00 N ATOM 93 CA VAL A 10 15.372 11.989 -6.035 1.00 0.00 C ATOM 94 C VAL A 10 14.632 11.540 -4.780 1.00 0.00 C ATOM 95 O VAL A 10 14.563 10.348 -4.481 1.00 0.00 O ATOM 96 CB VAL A 10 15.239 10.897 -7.114 1.00 0.00 C ATOM 97 CG1 VAL A 10 13.774 10.595 -7.392 1.00 0.00 C ATOM 98 CG2 VAL A 10 15.956 11.318 -8.388 1.00 0.00 C ATOM 0 H VAL A 10 17.414 11.522 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 10 14.926 12.912 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 10 15.708 9.986 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.701 9.822 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.294 10.247 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.276 11.499 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.852 10.535 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.517 12.242 -8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.013 11.478 -8.175 1.00 0.00 H new ATOM 108 N ASP A 11 14.081 12.502 -4.049 1.00 0.00 N ATOM 109 CA ASP A 11 13.344 12.207 -2.826 1.00 0.00 C ATOM 110 C ASP A 11 12.306 13.288 -2.542 1.00 0.00 C ATOM 111 O ASP A 11 12.471 14.440 -2.939 1.00 0.00 O ATOM 112 CB ASP A 11 14.306 12.082 -1.643 1.00 0.00 C ATOM 113 CG ASP A 11 14.705 13.431 -1.077 1.00 0.00 C ATOM 114 OD1 ASP A 11 14.857 14.385 -1.868 1.00 0.00 O ATOM 115 OD2 ASP A 11 14.864 13.532 0.157 1.00 0.00 O ATOM 0 H ASP A 11 14.131 13.494 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 11 12.825 11.258 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.838 11.486 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.200 11.545 -1.960 1.00 0.00 H new ATOM 120 N GLY A 12 11.235 12.906 -1.852 1.00 0.00 N ATOM 121 CA GLY A 12 10.185 13.855 -1.528 1.00 0.00 C ATOM 122 C GLY A 12 9.222 14.069 -2.678 1.00 0.00 C ATOM 123 O GLY A 12 8.972 15.204 -3.084 1.00 0.00 O ATOM 0 H GLY A 12 11.076 11.958 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.634 13.499 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.634 14.809 -1.252 1.00 0.00 H new ATOM 127 N MET A 13 8.681 12.976 -3.207 1.00 0.00 N ATOM 128 CA MET A 13 7.740 13.050 -4.318 1.00 0.00 C ATOM 129 C MET A 13 6.362 12.549 -3.899 1.00 0.00 C ATOM 130 O MET A 13 6.135 12.238 -2.729 1.00 0.00 O ATOM 131 CB MET A 13 8.254 12.232 -5.505 1.00 0.00 C ATOM 132 CG MET A 13 9.678 12.577 -5.910 1.00 0.00 C ATOM 133 SD MET A 13 10.907 11.883 -4.788 1.00 0.00 S ATOM 134 CE MET A 13 10.779 10.141 -5.183 1.00 0.00 C ATOM 0 H MET A 13 8.878 12.029 -2.884 1.00 0.00 H new ATOM 0 HA MET A 13 7.651 14.095 -4.617 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.203 11.172 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.594 12.390 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.864 12.209 -6.919 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.790 13.661 -5.940 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.676 9.624 -4.842 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.905 9.719 -4.687 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.678 10.019 -6.261 1.00 0.00 H new ATOM 144 N ILE A 14 5.447 12.474 -4.859 1.00 0.00 N ATOM 145 CA ILE A 14 4.092 12.010 -4.588 1.00 0.00 C ATOM 146 C ILE A 14 4.102 10.792 -3.670 1.00 0.00 C ATOM 147 O ILE A 14 4.867 9.850 -3.877 1.00 0.00 O ATOM 148 CB ILE A 14 3.349 11.652 -5.888 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.244 12.880 -6.796 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.967 11.100 -5.574 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.411 13.997 -6.207 1.00 0.00 C ATOM 0 H ILE A 14 5.619 12.729 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 14 3.570 12.830 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 14 3.916 10.882 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.246 13.255 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.812 12.580 -7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.455 10.852 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.064 10.203 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.391 11.849 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.380 14.834 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.398 13.638 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.854 14.324 -5.266 1.00 0.00 H new ATOM 163 N THR A 15 3.244 10.817 -2.654 1.00 0.00 N ATOM 164 CA THR A 15 3.153 9.716 -1.704 1.00 0.00 C ATOM 165 C THR A 15 1.729 9.178 -1.621 1.00 0.00 C ATOM 166 O THR A 15 0.771 9.943 -1.499 1.00 0.00 O ATOM 167 CB THR A 15 3.609 10.147 -0.298 1.00 0.00 C ATOM 168 OG1 THR A 15 4.962 10.615 -0.344 1.00 0.00 O ATOM 169 CG2 THR A 15 3.500 8.992 0.685 1.00 0.00 C ATOM 0 H THR A 15 2.603 11.588 -2.469 1.00 0.00 H new ATOM 0 HA THR A 15 3.815 8.930 -2.067 1.00 0.00 H new ATOM 0 HB THR A 15 2.957 10.953 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.104 11.125 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.828 9.321 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.464 8.657 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.130 8.168 0.350 1.00 0.00 H new ATOM 177 N LEU A 16 1.595 7.858 -1.687 1.00 0.00 N ATOM 178 CA LEU A 16 0.287 7.217 -1.619 1.00 0.00 C ATOM 179 C LEU A 16 0.038 6.632 -0.232 1.00 0.00 C ATOM 180 O LEU A 16 0.977 6.286 0.485 1.00 0.00 O ATOM 181 CB LEU A 16 0.180 6.116 -2.675 1.00 0.00 C ATOM 182 CG LEU A 16 -0.100 6.581 -4.104 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.060 5.428 -5.083 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.496 7.180 -4.206 1.00 0.00 C ATOM 0 H LEU A 16 2.377 7.211 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.471 7.975 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.111 5.549 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.612 5.429 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 16 0.625 7.353 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.143 5.779 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.079 5.044 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.641 4.633 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.678 7.506 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.235 6.429 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.575 8.035 -3.534 1.00 0.00 H new ATOM 196 N LYS A 17 -1.233 6.524 0.140 1.00 0.00 N ATOM 197 CA LYS A 17 -1.606 5.978 1.439 1.00 0.00 C ATOM 198 C LYS A 17 -2.252 4.604 1.287 1.00 0.00 C ATOM 199 O LYS A 17 -3.279 4.460 0.624 1.00 0.00 O ATOM 200 CB LYS A 17 -2.567 6.928 2.157 1.00 0.00 C ATOM 201 CG LYS A 17 -2.459 6.872 3.671 1.00 0.00 C ATOM 202 CD LYS A 17 -3.699 7.442 4.340 1.00 0.00 C ATOM 203 CE LYS A 17 -3.781 7.035 5.803 1.00 0.00 C ATOM 204 NZ LYS A 17 -2.874 7.850 6.658 1.00 0.00 N ATOM 0 H LYS A 17 -2.022 6.808 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.699 5.870 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.373 7.948 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.589 6.687 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.315 5.839 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.581 7.430 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.687 8.529 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.589 7.095 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.807 7.146 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.523 5.981 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.960 7.542 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.892 7.725 6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.136 8.854 6.584 1.00 0.00 H new ATOM 218 N VAL A 18 -1.644 3.597 1.907 1.00 0.00 N ATOM 219 CA VAL A 18 -2.161 2.236 1.842 1.00 0.00 C ATOM 220 C VAL A 18 -2.788 1.823 3.169 1.00 0.00 C ATOM 221 O VAL A 18 -2.190 1.995 4.231 1.00 0.00 O ATOM 222 CB VAL A 18 -1.052 1.231 1.477 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.646 -0.141 1.196 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.254 1.730 0.282 1.00 0.00 C ATOM 0 H VAL A 18 -0.793 3.699 2.460 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.923 2.224 1.063 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.374 1.140 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.848 -0.838 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.170 -0.499 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.347 -0.071 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.525 1.008 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.918 1.851 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.203 2.689 0.525 1.00 0.00 H new ATOM 234 N ASP A 19 -3.997 1.277 3.100 1.00 0.00 N ATOM 235 CA ASP A 19 -4.707 0.837 4.296 1.00 0.00 C ATOM 236 C ASP A 19 -5.003 -0.658 4.234 1.00 0.00 C ATOM 237 O ASP A 19 -4.962 -1.264 3.164 1.00 0.00 O ATOM 238 CB ASP A 19 -6.009 1.621 4.460 1.00 0.00 C ATOM 239 CG ASP A 19 -5.820 2.899 5.253 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.800 3.587 5.037 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.693 3.213 6.089 1.00 0.00 O ATOM 0 H ASP A 19 -4.506 1.128 2.229 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.067 1.027 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.410 1.864 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.747 0.993 4.959 1.00 0.00 H new ATOM 246 N ASN A 20 -5.301 -1.246 5.388 1.00 0.00 N ATOM 247 CA ASN A 20 -5.602 -2.671 5.464 1.00 0.00 C ATOM 248 C ASN A 20 -4.359 -3.506 5.174 1.00 0.00 C ATOM 249 O ASN A 20 -4.397 -4.437 4.368 1.00 0.00 O ATOM 250 CB ASN A 20 -6.714 -3.032 4.477 1.00 0.00 C ATOM 251 CG ASN A 20 -7.381 -4.351 4.814 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.443 -5.249 3.838 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.835 -4.560 5.940 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.341 -0.758 6.283 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.938 -2.892 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.463 -2.240 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.299 -3.085 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.765 -3.841 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.281 -5.452 6.153 1.00 0.00 H new ATOM 260 N LEU A 21 -3.259 -3.169 5.838 1.00 0.00 N ATOM 261 CA LEU A 21 -2.003 -3.888 5.653 1.00 0.00 C ATOM 262 C LEU A 21 -1.686 -4.753 6.869 1.00 0.00 C ATOM 263 O LEU A 21 -0.951 -4.337 7.766 1.00 0.00 O ATOM 264 CB LEU A 21 -0.860 -2.903 5.402 1.00 0.00 C ATOM 265 CG LEU A 21 -0.844 -2.230 4.029 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.426 -1.412 3.850 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.972 -3.268 2.924 1.00 0.00 C ATOM 0 H LEU A 21 -3.211 -2.403 6.509 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.111 -4.539 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.903 -2.126 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.084 -3.431 5.537 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.698 -1.556 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.420 -0.941 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.475 -0.643 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.294 -2.065 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.959 -2.771 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.139 -3.968 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.910 -3.810 3.041 1.00 0.00 H new ATOM 279 N THR A 22 -2.244 -5.959 6.893 1.00 0.00 N ATOM 280 CA THR A 22 -2.021 -6.883 7.998 1.00 0.00 C ATOM 281 C THR A 22 -0.534 -7.026 8.303 1.00 0.00 C ATOM 282 O THR A 22 0.313 -6.563 7.539 1.00 0.00 O ATOM 283 CB THR A 22 -2.607 -8.274 7.694 1.00 0.00 C ATOM 284 OG1 THR A 22 -2.324 -9.172 8.773 1.00 0.00 O ATOM 285 CG2 THR A 22 -2.034 -8.833 6.400 1.00 0.00 C ATOM 0 H THR A 22 -2.854 -6.319 6.159 1.00 0.00 H new ATOM 0 HA THR A 22 -2.529 -6.465 8.867 1.00 0.00 H new ATOM 0 HB THR A 22 -3.686 -8.171 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.702 -10.054 8.572 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.463 -9.816 6.207 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.276 -8.163 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.951 -8.921 6.490 1.00 0.00 H new ATOM 293 N TYR A 23 -0.224 -7.670 9.422 1.00 0.00 N ATOM 294 CA TYR A 23 1.161 -7.872 9.829 1.00 0.00 C ATOM 295 C TYR A 23 1.984 -8.461 8.687 1.00 0.00 C ATOM 296 O TYR A 23 3.031 -7.926 8.321 1.00 0.00 O ATOM 297 CB TYR A 23 1.227 -8.794 11.048 1.00 0.00 C ATOM 298 CG TYR A 23 2.581 -9.436 11.249 1.00 0.00 C ATOM 299 CD1 TYR A 23 3.602 -8.760 11.906 1.00 0.00 C ATOM 300 CD2 TYR A 23 2.841 -10.718 10.780 1.00 0.00 C ATOM 301 CE1 TYR A 23 4.841 -9.342 12.092 1.00 0.00 C ATOM 302 CE2 TYR A 23 4.076 -11.308 10.962 1.00 0.00 C ATOM 303 CZ TYR A 23 5.073 -10.617 11.618 1.00 0.00 C ATOM 304 OH TYR A 23 6.305 -11.201 11.800 1.00 0.00 O ATOM 0 H TYR A 23 -0.913 -8.061 10.064 1.00 0.00 H new ATOM 0 HA TYR A 23 1.581 -6.901 10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.969 -8.223 11.940 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.475 -9.576 10.942 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.424 -7.762 12.278 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.064 -11.262 10.264 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.623 -8.802 12.605 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.260 -12.306 10.592 1.00 0.00 H new ATOM 0 HH TYR A 23 6.302 -12.099 11.408 1.00 0.00 H new ATOM 314 N ARG A 24 1.501 -9.566 8.128 1.00 0.00 N ATOM 315 CA ARG A 24 2.191 -10.229 7.027 1.00 0.00 C ATOM 316 C ARG A 24 2.825 -9.207 6.089 1.00 0.00 C ATOM 317 O ARG A 24 3.927 -9.415 5.579 1.00 0.00 O ATOM 318 CB ARG A 24 1.218 -11.117 6.249 1.00 0.00 C ATOM 319 CG ARG A 24 1.004 -12.483 6.879 1.00 0.00 C ATOM 320 CD ARG A 24 -0.384 -13.025 6.576 1.00 0.00 C ATOM 321 NE ARG A 24 -0.483 -14.458 6.840 1.00 0.00 N ATOM 322 CZ ARG A 24 0.027 -15.389 6.042 1.00 0.00 C ATOM 323 NH1 ARG A 24 0.668 -15.040 4.936 1.00 0.00 N ATOM 324 NH2 ARG A 24 -0.103 -16.673 6.351 1.00 0.00 N ATOM 0 H ARG A 24 0.636 -10.021 8.419 1.00 0.00 H new ATOM 0 HA ARG A 24 2.982 -10.850 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.257 -10.608 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.592 -11.249 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.756 -13.178 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.141 -12.413 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.120 -12.494 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.629 -12.831 5.532 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.971 -14.760 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.771 -14.054 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.059 -15.757 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.595 -16.945 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.289 -17.387 5.738 1.00 0.00 H new ATOM 338 N THR A 25 2.123 -8.101 5.864 1.00 0.00 N ATOM 339 CA THR A 25 2.616 -7.047 4.986 1.00 0.00 C ATOM 340 C THR A 25 4.063 -6.694 5.309 1.00 0.00 C ATOM 341 O THR A 25 4.464 -6.687 6.473 1.00 0.00 O ATOM 342 CB THR A 25 1.752 -5.776 5.093 1.00 0.00 C ATOM 343 OG1 THR A 25 0.437 -6.033 4.588 1.00 0.00 O ATOM 344 CG2 THR A 25 2.383 -4.627 4.322 1.00 0.00 C ATOM 0 H THR A 25 1.210 -7.912 6.278 1.00 0.00 H new ATOM 0 HA THR A 25 2.558 -7.431 3.968 1.00 0.00 H new ATOM 0 HB THR A 25 1.687 -5.494 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.143 -6.326 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.755 -3.740 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.371 -4.415 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.475 -4.901 3.271 1.00 0.00 H new ATOM 352 N SER A 26 4.842 -6.401 4.273 1.00 0.00 N ATOM 353 CA SER A 26 6.246 -6.049 4.448 1.00 0.00 C ATOM 354 C SER A 26 6.714 -5.112 3.338 1.00 0.00 C ATOM 355 O SER A 26 6.153 -5.078 2.243 1.00 0.00 O ATOM 356 CB SER A 26 7.111 -7.311 4.464 1.00 0.00 C ATOM 357 OG SER A 26 6.877 -8.104 3.314 1.00 0.00 O ATOM 0 H SER A 26 4.525 -6.400 3.304 1.00 0.00 H new ATOM 0 HA SER A 26 6.350 -5.533 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.164 -7.033 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.895 -7.892 5.360 1.00 0.00 H new ATOM 0 HG SER A 26 7.431 -8.911 3.355 1.00 0.00 H new ATOM 363 N PRO A 27 7.766 -4.333 3.627 1.00 0.00 N ATOM 364 CA PRO A 27 8.334 -3.381 2.668 1.00 0.00 C ATOM 365 C PRO A 27 8.464 -3.976 1.269 1.00 0.00 C ATOM 366 O PRO A 27 8.076 -3.352 0.281 1.00 0.00 O ATOM 367 CB PRO A 27 9.717 -3.074 3.248 1.00 0.00 C ATOM 368 CG PRO A 27 9.566 -3.283 4.716 1.00 0.00 C ATOM 369 CD PRO A 27 8.484 -4.322 4.913 1.00 0.00 C ATOM 0 HA PRO A 27 7.703 -2.501 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.477 -3.734 2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.023 -2.052 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.506 -3.618 5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.298 -2.350 5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.906 -5.300 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.822 -4.058 5.738 1.00 0.00 H new ATOM 377 N ASP A 28 9.010 -5.184 1.194 1.00 0.00 N ATOM 378 CA ASP A 28 9.189 -5.863 -0.084 1.00 0.00 C ATOM 379 C ASP A 28 7.855 -6.025 -0.806 1.00 0.00 C ATOM 380 O ASP A 28 7.738 -5.718 -1.992 1.00 0.00 O ATOM 381 CB ASP A 28 9.837 -7.232 0.128 1.00 0.00 C ATOM 382 CG ASP A 28 9.328 -7.927 1.376 1.00 0.00 C ATOM 383 OD1 ASP A 28 9.748 -7.536 2.485 1.00 0.00 O ATOM 384 OD2 ASP A 28 8.511 -8.862 1.243 1.00 0.00 O ATOM 0 H ASP A 28 9.336 -5.713 2.003 1.00 0.00 H new ATOM 0 HA ASP A 28 9.845 -5.251 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.642 -7.861 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.918 -7.112 0.198 1.00 0.00 H new ATOM 389 N SER A 29 6.851 -6.510 -0.081 1.00 0.00 N ATOM 390 CA SER A 29 5.526 -6.718 -0.653 1.00 0.00 C ATOM 391 C SER A 29 4.878 -5.386 -1.020 1.00 0.00 C ATOM 392 O SER A 29 4.598 -5.120 -2.190 1.00 0.00 O ATOM 393 CB SER A 29 4.635 -7.477 0.332 1.00 0.00 C ATOM 394 OG SER A 29 5.110 -8.796 0.536 1.00 0.00 O ATOM 0 H SER A 29 6.930 -6.766 0.903 1.00 0.00 H new ATOM 0 HA SER A 29 5.638 -7.311 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.605 -6.946 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.614 -7.509 -0.047 1.00 0.00 H new ATOM 0 HG SER A 29 4.525 -9.260 1.171 1.00 0.00 H new ATOM 400 N LEU A 30 4.643 -4.553 -0.013 1.00 0.00 N ATOM 401 CA LEU A 30 4.028 -3.247 -0.227 1.00 0.00 C ATOM 402 C LEU A 30 4.574 -2.589 -1.490 1.00 0.00 C ATOM 403 O LEU A 30 3.838 -1.937 -2.231 1.00 0.00 O ATOM 404 CB LEU A 30 4.273 -2.341 0.981 1.00 0.00 C ATOM 405 CG LEU A 30 3.596 -0.971 0.940 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.083 -1.123 0.922 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.035 -0.124 2.126 1.00 0.00 C ATOM 0 H LEU A 30 4.869 -4.758 0.960 1.00 0.00 H new ATOM 0 HA LEU A 30 2.955 -3.394 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.936 -2.864 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.348 -2.190 1.085 1.00 0.00 H new ATOM 0 HG LEU A 30 3.900 -0.464 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.619 -0.137 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.785 -1.691 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.760 -1.650 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.543 0.848 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.761 -0.627 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.116 0.014 2.094 1.00 0.00 H new ATOM 419 N ARG A 31 5.870 -2.765 -1.730 1.00 0.00 N ATOM 420 CA ARG A 31 6.514 -2.189 -2.904 1.00 0.00 C ATOM 421 C ARG A 31 6.064 -2.902 -4.176 1.00 0.00 C ATOM 422 O ARG A 31 5.550 -2.274 -5.102 1.00 0.00 O ATOM 423 CB ARG A 31 8.036 -2.274 -2.770 1.00 0.00 C ATOM 424 CG ARG A 31 8.776 -2.045 -4.078 1.00 0.00 C ATOM 425 CD ARG A 31 10.240 -1.709 -3.837 1.00 0.00 C ATOM 426 NE ARG A 31 11.062 -2.909 -3.706 1.00 0.00 N ATOM 427 CZ ARG A 31 12.282 -2.910 -3.179 1.00 0.00 C ATOM 428 NH1 ARG A 31 12.817 -1.780 -2.737 1.00 0.00 N ATOM 429 NH2 ARG A 31 12.968 -4.042 -3.094 1.00 0.00 N ATOM 0 H ARG A 31 6.494 -3.302 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 31 6.220 -1.142 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.370 -1.537 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.304 -3.255 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.704 -2.937 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.301 -1.233 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.613 -1.102 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.330 -1.107 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 31 10.679 -3.794 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.292 -0.908 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.754 -1.783 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.559 -4.913 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.904 -4.042 -2.689 1.00 0.00 H new ATOM 443 N ARG A 32 6.263 -4.215 -4.214 1.00 0.00 N ATOM 444 CA ARG A 32 5.879 -5.013 -5.373 1.00 0.00 C ATOM 445 C ARG A 32 4.490 -4.620 -5.867 1.00 0.00 C ATOM 446 O ARG A 32 4.184 -4.744 -7.053 1.00 0.00 O ATOM 447 CB ARG A 32 5.906 -6.502 -5.025 1.00 0.00 C ATOM 448 CG ARG A 32 5.701 -7.412 -6.225 1.00 0.00 C ATOM 449 CD ARG A 32 5.761 -8.879 -5.829 1.00 0.00 C ATOM 450 NE ARG A 32 5.655 -9.763 -6.987 1.00 0.00 N ATOM 451 CZ ARG A 32 6.028 -11.038 -6.974 1.00 0.00 C ATOM 452 NH1 ARG A 32 6.528 -11.575 -5.870 1.00 0.00 N ATOM 453 NH2 ARG A 32 5.900 -11.778 -8.068 1.00 0.00 N ATOM 0 H ARG A 32 6.688 -4.749 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 32 6.597 -4.820 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.862 -6.740 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.131 -6.708 -4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.736 -7.197 -6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.465 -7.205 -6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.698 -9.076 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.954 -9.099 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 32 5.274 -9.381 -7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.627 -11.009 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.813 -12.554 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.515 -11.368 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.186 -12.757 -8.058 1.00 0.00 H new ATOM 467 N VAL A 33 3.653 -4.146 -4.950 1.00 0.00 N ATOM 468 CA VAL A 33 2.297 -3.735 -5.293 1.00 0.00 C ATOM 469 C VAL A 33 2.305 -2.670 -6.384 1.00 0.00 C ATOM 470 O VAL A 33 1.679 -2.834 -7.431 1.00 0.00 O ATOM 471 CB VAL A 33 1.548 -3.188 -4.062 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.153 -2.721 -4.450 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.482 -4.242 -2.968 1.00 0.00 C ATOM 0 H VAL A 33 3.890 -4.037 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 33 1.780 -4.622 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 33 2.097 -2.330 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.361 -2.338 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.228 -1.931 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.409 -3.559 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.950 -3.839 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.956 -5.121 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.493 -4.523 -2.672 1.00 0.00 H new ATOM 483 N PHE A 34 3.018 -1.577 -6.131 1.00 0.00 N ATOM 484 CA PHE A 34 3.108 -0.484 -7.092 1.00 0.00 C ATOM 485 C PHE A 34 4.416 -0.554 -7.875 1.00 0.00 C ATOM 486 O PHE A 34 4.931 0.465 -8.334 1.00 0.00 O ATOM 487 CB PHE A 34 3.001 0.863 -6.375 1.00 0.00 C ATOM 488 CG PHE A 34 1.948 0.891 -5.304 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.617 0.672 -5.619 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.290 1.136 -3.984 1.00 0.00 C ATOM 491 CE1 PHE A 34 -0.355 0.697 -4.636 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.322 1.161 -2.997 1.00 0.00 C ATOM 493 CZ PHE A 34 -0.002 0.943 -3.324 1.00 0.00 C ATOM 0 H PHE A 34 3.542 -1.425 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 34 2.280 -0.581 -7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.966 1.107 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.783 1.639 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.335 0.480 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.324 1.309 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.389 0.524 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.601 1.351 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.760 0.965 -2.555 1.00 0.00 H new ATOM 503 N GLU A 35 4.946 -1.764 -8.023 1.00 0.00 N ATOM 504 CA GLU A 35 6.194 -1.967 -8.749 1.00 0.00 C ATOM 505 C GLU A 35 5.940 -2.066 -10.251 1.00 0.00 C ATOM 506 O GLU A 35 6.552 -1.351 -11.044 1.00 0.00 O ATOM 507 CB GLU A 35 6.898 -3.232 -8.255 1.00 0.00 C ATOM 508 CG GLU A 35 7.876 -2.981 -7.120 1.00 0.00 C ATOM 509 CD GLU A 35 8.954 -4.044 -7.032 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.602 -5.243 -7.000 1.00 0.00 O ATOM 511 OE2 GLU A 35 10.147 -3.679 -6.994 1.00 0.00 O ATOM 0 H GLU A 35 4.531 -2.618 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 35 6.837 -1.107 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.147 -3.950 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.431 -3.690 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.343 -2.006 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.330 -2.943 -6.177 1.00 0.00 H new ATOM 518 N LYS A 36 5.034 -2.959 -10.633 1.00 0.00 N ATOM 519 CA LYS A 36 4.697 -3.154 -12.038 1.00 0.00 C ATOM 520 C LYS A 36 4.217 -1.850 -12.669 1.00 0.00 C ATOM 521 O LYS A 36 4.175 -1.720 -13.892 1.00 0.00 O ATOM 522 CB LYS A 36 3.617 -4.229 -12.181 1.00 0.00 C ATOM 523 CG LYS A 36 2.273 -3.822 -11.601 1.00 0.00 C ATOM 524 CD LYS A 36 1.325 -5.005 -11.507 1.00 0.00 C ATOM 525 CE LYS A 36 0.773 -5.388 -12.872 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.082 -6.605 -12.804 1.00 0.00 N ATOM 0 H LYS A 36 4.519 -3.560 -9.989 1.00 0.00 H new ATOM 0 HA LYS A 36 5.597 -3.480 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.490 -4.467 -13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.955 -5.140 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.419 -3.392 -10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.827 -3.046 -12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.847 -5.857 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.502 -4.760 -10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.192 -4.558 -13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.599 -5.563 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.438 -6.832 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.479 -7.404 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.885 -6.430 -12.166 1.00 0.00 H new ATOM 540 N TYR A 37 3.859 -0.888 -11.826 1.00 0.00 N ATOM 541 CA TYR A 37 3.382 0.405 -12.301 1.00 0.00 C ATOM 542 C TYR A 37 4.471 1.466 -12.179 1.00 0.00 C ATOM 543 O TYR A 37 4.911 2.038 -13.175 1.00 0.00 O ATOM 544 CB TYR A 37 2.144 0.836 -11.513 1.00 0.00 C ATOM 545 CG TYR A 37 1.021 -0.176 -11.547 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.387 -0.501 -12.740 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.595 -0.809 -10.385 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.639 -1.424 -12.775 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.430 -1.735 -10.411 1.00 0.00 C ATOM 550 CZ TYR A 37 -1.044 -2.039 -11.608 1.00 0.00 C ATOM 551 OH TYR A 37 -2.065 -2.961 -11.639 1.00 0.00 O ATOM 0 H TYR A 37 3.890 -0.979 -10.811 1.00 0.00 H new ATOM 0 HA TYR A 37 3.117 0.302 -13.353 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.428 1.016 -10.476 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.781 1.783 -11.913 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.702 -0.023 -13.656 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.073 -0.573 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.122 -1.663 -13.711 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.749 -2.218 -9.499 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.227 -3.301 -10.734 1.00 0.00 H new ATOM 561 N GLY A 38 4.903 1.722 -10.948 1.00 0.00 N ATOM 562 CA GLY A 38 5.938 2.713 -10.716 1.00 0.00 C ATOM 563 C GLY A 38 6.938 2.273 -9.665 1.00 0.00 C ATOM 564 O GLY A 38 6.642 2.294 -8.470 1.00 0.00 O ATOM 0 H GLY A 38 4.555 1.261 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.462 2.912 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.476 3.650 -10.404 1.00 0.00 H new ATOM 568 N ARG A 39 8.124 1.871 -10.110 1.00 0.00 N ATOM 569 CA ARG A 39 9.169 1.421 -9.199 1.00 0.00 C ATOM 570 C ARG A 39 9.225 2.304 -7.956 1.00 0.00 C ATOM 571 O ARG A 39 9.888 3.341 -7.948 1.00 0.00 O ATOM 572 CB ARG A 39 10.527 1.427 -9.904 1.00 0.00 C ATOM 573 CG ARG A 39 10.640 0.400 -11.018 1.00 0.00 C ATOM 574 CD ARG A 39 12.075 -0.069 -11.200 1.00 0.00 C ATOM 575 NE ARG A 39 12.456 -1.064 -10.202 1.00 0.00 N ATOM 576 CZ ARG A 39 12.126 -2.348 -10.280 1.00 0.00 C ATOM 577 NH1 ARG A 39 11.412 -2.791 -11.306 1.00 0.00 N ATOM 578 NH2 ARG A 39 12.511 -3.193 -9.332 1.00 0.00 N ATOM 0 H ARG A 39 8.385 1.848 -11.096 1.00 0.00 H new ATOM 0 HA ARG A 39 8.932 0.403 -8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.708 2.419 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.309 1.240 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.003 -0.455 -10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.276 0.832 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.194 -0.492 -12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.747 0.787 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 39 13.006 -0.756 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.115 -2.145 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.160 -3.778 -11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.061 -2.857 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.257 -4.179 -9.394 1.00 0.00 H new ATOM 592 N VAL A 40 8.522 1.887 -6.908 1.00 0.00 N ATOM 593 CA VAL A 40 8.492 2.639 -5.659 1.00 0.00 C ATOM 594 C VAL A 40 9.846 3.276 -5.369 1.00 0.00 C ATOM 595 O VAL A 40 10.868 2.593 -5.323 1.00 0.00 O ATOM 596 CB VAL A 40 8.094 1.741 -4.473 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.224 2.501 -3.161 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.679 1.215 -4.655 1.00 0.00 C ATOM 0 H VAL A 40 7.965 1.032 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 40 7.744 3.422 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 40 8.773 0.889 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.939 1.851 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.256 2.824 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.570 3.373 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.414 0.582 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.984 2.053 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.623 0.632 -5.574 1.00 0.00 H new ATOM 608 N GLY A 41 9.846 4.591 -5.172 1.00 0.00 N ATOM 609 CA GLY A 41 11.080 5.299 -4.887 1.00 0.00 C ATOM 610 C GLY A 41 11.497 5.177 -3.435 1.00 0.00 C ATOM 611 O GLY A 41 12.687 5.192 -3.121 1.00 0.00 O ATOM 0 H GLY A 41 9.013 5.179 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.874 4.909 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.957 6.352 -5.139 1.00 0.00 H new ATOM 615 N ASP A 42 10.516 5.058 -2.548 1.00 0.00 N ATOM 616 CA ASP A 42 10.787 4.933 -1.120 1.00 0.00 C ATOM 617 C ASP A 42 9.582 4.352 -0.387 1.00 0.00 C ATOM 618 O ASP A 42 8.468 4.863 -0.499 1.00 0.00 O ATOM 619 CB ASP A 42 11.151 6.295 -0.528 1.00 0.00 C ATOM 620 CG ASP A 42 11.963 7.145 -1.486 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.382 7.646 -2.472 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.178 7.309 -1.252 1.00 0.00 O ATOM 0 H ASP A 42 9.526 5.045 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 42 11.629 4.253 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.238 6.827 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.717 6.148 0.392 1.00 0.00 H new ATOM 627 N VAL A 43 9.814 3.279 0.363 1.00 0.00 N ATOM 628 CA VAL A 43 8.748 2.628 1.115 1.00 0.00 C ATOM 629 C VAL A 43 8.838 2.964 2.599 1.00 0.00 C ATOM 630 O VAL A 43 9.894 2.821 3.216 1.00 0.00 O ATOM 631 CB VAL A 43 8.794 1.098 0.943 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.523 0.461 1.484 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.001 0.733 -0.520 1.00 0.00 C ATOM 0 H VAL A 43 10.730 2.843 0.466 1.00 0.00 H new ATOM 0 HA VAL A 43 7.805 3.003 0.717 1.00 0.00 H new ATOM 0 HB VAL A 43 9.638 0.711 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.574 -0.620 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.422 0.694 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.661 0.852 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.031 -0.352 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.179 1.132 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.942 1.157 -0.871 1.00 0.00 H new ATOM 643 N TYR A 44 7.723 3.410 3.168 1.00 0.00 N ATOM 644 CA TYR A 44 7.676 3.769 4.580 1.00 0.00 C ATOM 645 C TYR A 44 6.619 2.950 5.315 1.00 0.00 C ATOM 646 O TYR A 44 5.452 2.927 4.922 1.00 0.00 O ATOM 647 CB TYR A 44 7.383 5.261 4.739 1.00 0.00 C ATOM 648 CG TYR A 44 7.698 5.797 6.118 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.990 5.365 7.232 1.00 0.00 C ATOM 650 CD2 TYR A 44 8.707 6.734 6.306 1.00 0.00 C ATOM 651 CE1 TYR A 44 7.274 5.852 8.493 1.00 0.00 C ATOM 652 CE2 TYR A 44 8.999 7.226 7.563 1.00 0.00 C ATOM 653 CZ TYR A 44 8.280 6.782 8.653 1.00 0.00 C ATOM 654 OH TYR A 44 8.568 7.269 9.908 1.00 0.00 O ATOM 0 H TYR A 44 6.840 3.531 2.673 1.00 0.00 H new ATOM 0 HA TYR A 44 8.650 3.549 5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.962 5.817 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.331 5.441 4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 44 6.203 4.635 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.272 7.083 5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.712 5.507 9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.786 7.954 7.692 1.00 0.00 H new ATOM 0 HH TYR A 44 9.303 7.914 9.848 1.00 0.00 H new ATOM 664 N ILE A 45 7.037 2.280 6.384 1.00 0.00 N ATOM 665 CA ILE A 45 6.127 1.461 7.175 1.00 0.00 C ATOM 666 C ILE A 45 6.361 1.666 8.668 1.00 0.00 C ATOM 667 O ILE A 45 7.333 1.175 9.243 1.00 0.00 O ATOM 668 CB ILE A 45 6.282 -0.035 6.843 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.917 -0.295 5.380 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.416 -0.875 7.769 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.250 -1.695 4.915 1.00 0.00 C ATOM 0 H ILE A 45 7.999 2.288 6.722 1.00 0.00 H new ATOM 0 HA ILE A 45 5.115 1.778 6.921 1.00 0.00 H new ATOM 0 HB ILE A 45 7.323 -0.320 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.850 -0.119 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.442 0.423 4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.536 -1.930 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.719 -0.707 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.371 -0.591 7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.964 -1.809 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.321 -1.868 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.705 -2.419 5.521 1.00 0.00 H new ATOM 683 N PRO A 46 5.449 2.407 9.314 1.00 0.00 N ATOM 684 CA PRO A 46 5.532 2.692 10.749 1.00 0.00 C ATOM 685 C PRO A 46 5.166 1.482 11.603 1.00 0.00 C ATOM 686 O PRO A 46 4.284 0.702 11.245 1.00 0.00 O ATOM 687 CB PRO A 46 4.511 3.815 10.948 1.00 0.00 C ATOM 688 CG PRO A 46 3.511 3.614 9.863 1.00 0.00 C ATOM 689 CD PRO A 46 4.265 3.024 8.692 1.00 0.00 C ATOM 0 HA PRO A 46 6.544 2.959 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.045 3.757 11.932 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.982 4.795 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.714 2.945 10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.042 4.558 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.664 2.288 8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.546 3.790 7.969 1.00 0.00 H new ATOM 697 N ARG A 47 5.850 1.332 12.733 1.00 0.00 N ATOM 698 CA ARG A 47 5.597 0.217 13.636 1.00 0.00 C ATOM 699 C ARG A 47 4.826 0.680 14.869 1.00 0.00 C ATOM 700 O ARG A 47 4.749 1.875 15.152 1.00 0.00 O ATOM 701 CB ARG A 47 6.915 -0.433 14.061 1.00 0.00 C ATOM 702 CG ARG A 47 7.828 0.496 14.844 1.00 0.00 C ATOM 703 CD ARG A 47 9.171 -0.155 15.133 1.00 0.00 C ATOM 704 NE ARG A 47 10.236 0.832 15.291 1.00 0.00 N ATOM 705 CZ ARG A 47 10.397 1.570 16.384 1.00 0.00 C ATOM 706 NH1 ARG A 47 9.567 1.433 17.409 1.00 0.00 N ATOM 707 NH2 ARG A 47 11.390 2.447 16.453 1.00 0.00 N ATOM 0 H ARG A 47 6.583 1.969 13.044 1.00 0.00 H new ATOM 0 HA ARG A 47 4.992 -0.518 13.104 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.698 -1.312 14.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.441 -0.782 13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.982 1.416 14.280 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.348 0.774 15.782 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.095 -0.755 16.040 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.426 -0.836 14.321 1.00 0.00 H new ATOM 0 HE ARG A 47 10.892 0.962 14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.802 0.760 17.360 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.693 2.001 18.247 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.031 2.555 15.667 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.513 3.013 17.292 1.00 0.00 H new ATOM 721 N GLU A 48 4.257 -0.275 15.598 1.00 0.00 N ATOM 722 CA GLU A 48 3.491 0.036 16.800 1.00 0.00 C ATOM 723 C GLU A 48 4.417 0.272 17.989 1.00 0.00 C ATOM 724 O GLU A 48 5.567 -0.167 18.009 1.00 0.00 O ATOM 725 CB GLU A 48 2.514 -1.098 17.117 1.00 0.00 C ATOM 726 CG GLU A 48 1.153 -0.930 16.462 1.00 0.00 C ATOM 727 CD GLU A 48 0.350 -2.216 16.447 1.00 0.00 C ATOM 728 OE1 GLU A 48 0.749 -3.156 15.728 1.00 0.00 O ATOM 729 OE2 GLU A 48 -0.677 -2.282 17.155 1.00 0.00 O ATOM 0 H GLU A 48 4.312 -1.269 15.378 1.00 0.00 H new ATOM 0 HA GLU A 48 2.927 0.950 16.614 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.950 -2.043 16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.383 -1.162 18.197 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.591 -0.161 16.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.287 -0.578 15.439 1.00 0.00 H new ATOM 736 N PRO A 49 3.905 0.983 19.005 1.00 0.00 N ATOM 737 CA PRO A 49 4.668 1.293 20.218 1.00 0.00 C ATOM 738 C PRO A 49 4.825 0.082 21.131 1.00 0.00 C ATOM 739 O PRO A 49 5.912 -0.184 21.644 1.00 0.00 O ATOM 740 CB PRO A 49 3.825 2.373 20.901 1.00 0.00 C ATOM 741 CG PRO A 49 2.431 2.109 20.444 1.00 0.00 C ATOM 742 CD PRO A 49 2.541 1.537 19.049 1.00 0.00 C ATOM 0 HA PRO A 49 5.686 1.609 19.989 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.905 2.310 21.986 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.153 3.372 20.614 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.929 1.409 21.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.842 3.026 20.442 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.790 0.767 18.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.396 2.305 18.289 1.00 0.00 H new ATOM 750 N HIS A 50 3.733 -0.649 21.329 1.00 0.00 N ATOM 751 CA HIS A 50 3.750 -1.834 22.180 1.00 0.00 C ATOM 752 C HIS A 50 4.330 -3.031 21.433 1.00 0.00 C ATOM 753 O HIS A 50 5.110 -3.805 21.989 1.00 0.00 O ATOM 754 CB HIS A 50 2.337 -2.158 22.667 1.00 0.00 C ATOM 755 CG HIS A 50 1.630 -0.987 23.277 1.00 0.00 C ATOM 756 ND1 HIS A 50 1.991 -0.439 24.490 1.00 0.00 N ATOM 757 CD2 HIS A 50 0.580 -0.258 22.834 1.00 0.00 C ATOM 758 CE1 HIS A 50 1.191 0.576 24.767 1.00 0.00 C ATOM 759 NE2 HIS A 50 0.326 0.707 23.778 1.00 0.00 N ATOM 0 H HIS A 50 2.825 -0.442 20.912 1.00 0.00 H new ATOM 0 HA HIS A 50 4.384 -1.624 23.041 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.749 -2.530 21.828 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.390 -2.962 23.401 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.041 -0.407 21.910 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.237 1.193 25.652 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.411 1.410 23.724 1.00 0.00 H new ATOM 767 N THR A 51 3.945 -3.178 20.169 1.00 0.00 N ATOM 768 CA THR A 51 4.425 -4.281 19.347 1.00 0.00 C ATOM 769 C THR A 51 5.189 -3.768 18.131 1.00 0.00 C ATOM 770 O THR A 51 5.025 -2.620 17.720 1.00 0.00 O ATOM 771 CB THR A 51 3.264 -5.173 18.870 1.00 0.00 C ATOM 772 OG1 THR A 51 3.762 -6.217 18.027 1.00 0.00 O ATOM 773 CG2 THR A 51 2.228 -4.355 18.113 1.00 0.00 C ATOM 0 H THR A 51 3.302 -2.546 19.692 1.00 0.00 H new ATOM 0 HA THR A 51 5.095 -4.872 19.971 1.00 0.00 H new ATOM 0 HB THR A 51 2.788 -5.611 19.748 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.017 -6.780 17.730 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.418 -5.007 17.786 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.829 -3.579 18.766 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.695 -3.892 17.243 1.00 0.00 H new ATOM 781 N LYS A 52 6.026 -4.628 17.560 1.00 0.00 N ATOM 782 CA LYS A 52 6.816 -4.263 16.389 1.00 0.00 C ATOM 783 C LYS A 52 6.036 -4.524 15.104 1.00 0.00 C ATOM 784 O LYS A 52 6.606 -4.541 14.014 1.00 0.00 O ATOM 785 CB LYS A 52 8.129 -5.049 16.370 1.00 0.00 C ATOM 786 CG LYS A 52 9.143 -4.564 17.392 1.00 0.00 C ATOM 787 CD LYS A 52 10.041 -3.482 16.816 1.00 0.00 C ATOM 788 CE LYS A 52 11.277 -4.076 16.158 1.00 0.00 C ATOM 789 NZ LYS A 52 10.942 -4.801 14.901 1.00 0.00 N ATOM 0 H LYS A 52 6.175 -5.582 17.889 1.00 0.00 H new ATOM 0 HA LYS A 52 7.038 -3.197 16.448 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.915 -6.102 16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.568 -4.982 15.375 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.622 -4.178 18.268 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.752 -5.403 17.728 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.484 -2.896 16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.343 -2.798 17.609 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.990 -3.281 15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.765 -4.760 16.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.816 -5.014 14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.452 -5.689 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.324 -4.207 14.312 1.00 0.00 H new ATOM 803 N ALA A 53 4.730 -4.727 15.241 1.00 0.00 N ATOM 804 CA ALA A 53 3.872 -4.984 14.091 1.00 0.00 C ATOM 805 C ALA A 53 3.319 -3.683 13.517 1.00 0.00 C ATOM 806 O ALA A 53 3.006 -2.740 14.244 1.00 0.00 O ATOM 807 CB ALA A 53 2.735 -5.918 14.478 1.00 0.00 C ATOM 0 H ALA A 53 4.243 -4.718 16.137 1.00 0.00 H new ATOM 0 HA ALA A 53 4.474 -5.464 13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.103 -6.101 13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.145 -6.863 14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.141 -5.460 15.269 1.00 0.00 H new ATOM 813 N PRO A 54 3.196 -3.629 12.183 1.00 0.00 N ATOM 814 CA PRO A 54 2.681 -2.449 11.482 1.00 0.00 C ATOM 815 C PRO A 54 1.405 -1.909 12.119 1.00 0.00 C ATOM 816 O PRO A 54 0.501 -2.671 12.462 1.00 0.00 O ATOM 817 CB PRO A 54 2.396 -2.970 10.071 1.00 0.00 C ATOM 818 CG PRO A 54 3.345 -4.103 9.887 1.00 0.00 C ATOM 819 CD PRO A 54 3.550 -4.716 11.255 1.00 0.00 C ATOM 0 HA PRO A 54 3.386 -1.618 11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.362 -3.300 9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.556 -2.194 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.942 -4.837 9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.291 -3.754 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.915 -5.590 11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.580 -5.043 11.397 1.00 0.00 H new ATOM 827 N ARG A 55 1.338 -0.590 12.272 1.00 0.00 N ATOM 828 CA ARG A 55 0.172 0.051 12.868 1.00 0.00 C ATOM 829 C ARG A 55 -1.098 -0.312 12.104 1.00 0.00 C ATOM 830 O ARG A 55 -2.072 -0.785 12.689 1.00 0.00 O ATOM 831 CB ARG A 55 0.352 1.570 12.885 1.00 0.00 C ATOM 832 CG ARG A 55 1.200 2.070 14.043 1.00 0.00 C ATOM 833 CD ARG A 55 1.255 3.589 14.078 1.00 0.00 C ATOM 834 NE ARG A 55 0.170 4.158 14.874 1.00 0.00 N ATOM 835 CZ ARG A 55 0.018 5.460 15.085 1.00 0.00 C ATOM 836 NH1 ARG A 55 0.877 6.325 14.563 1.00 0.00 N ATOM 837 NH2 ARG A 55 -0.995 5.901 15.820 1.00 0.00 N ATOM 0 H ARG A 55 2.077 0.055 11.992 1.00 0.00 H new ATOM 0 HA ARG A 55 0.075 -0.309 13.892 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.811 1.883 11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.629 2.043 12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.791 1.698 14.982 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.210 1.670 13.955 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.212 3.908 14.490 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.201 3.977 13.061 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.508 3.520 15.291 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.657 5.991 13.997 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.757 7.325 14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.658 5.239 16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.110 6.902 15.981 1.00 0.00 H new ATOM 851 N GLY A 56 -1.080 -0.088 10.794 1.00 0.00 N ATOM 852 CA GLY A 56 -2.236 -0.397 9.972 1.00 0.00 C ATOM 853 C GLY A 56 -2.076 0.084 8.543 1.00 0.00 C ATOM 854 O GLY A 56 -2.381 -0.644 7.598 1.00 0.00 O ATOM 0 H GLY A 56 -0.286 0.302 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.401 -1.474 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.122 0.062 10.410 1.00 0.00 H new ATOM 858 N PHE A 57 -1.599 1.314 8.384 1.00 0.00 N ATOM 859 CA PHE A 57 -1.402 1.892 7.060 1.00 0.00 C ATOM 860 C PHE A 57 0.082 2.089 6.767 1.00 0.00 C ATOM 861 O PHE A 57 0.938 1.737 7.579 1.00 0.00 O ATOM 862 CB PHE A 57 -2.137 3.229 6.950 1.00 0.00 C ATOM 863 CG PHE A 57 -1.813 4.185 8.062 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.583 4.822 8.110 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.737 4.446 9.061 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.281 5.702 9.132 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.441 5.325 10.085 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.211 5.953 10.121 1.00 0.00 C ATOM 0 H PHE A 57 -1.342 1.930 9.156 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.810 1.199 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.887 3.695 5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.211 3.044 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.148 4.628 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.700 3.957 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.681 6.192 9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.171 5.521 10.857 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.977 6.639 10.922 1.00 0.00 H new ATOM 878 N ALA A 58 0.380 2.654 5.602 1.00 0.00 N ATOM 879 CA ALA A 58 1.760 2.899 5.202 1.00 0.00 C ATOM 880 C ALA A 58 1.841 4.011 4.162 1.00 0.00 C ATOM 881 O ALA A 58 0.818 4.505 3.686 1.00 0.00 O ATOM 882 CB ALA A 58 2.388 1.623 4.662 1.00 0.00 C ATOM 0 H ALA A 58 -0.316 2.951 4.918 1.00 0.00 H new ATOM 0 HA ALA A 58 2.316 3.220 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.418 1.821 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.373 0.855 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.823 1.278 3.796 1.00 0.00 H new ATOM 888 N PHE A 59 3.062 4.402 3.814 1.00 0.00 N ATOM 889 CA PHE A 59 3.276 5.458 2.831 1.00 0.00 C ATOM 890 C PHE A 59 4.271 5.013 1.763 1.00 0.00 C ATOM 891 O PHE A 59 5.343 4.493 2.075 1.00 0.00 O ATOM 892 CB PHE A 59 3.781 6.728 3.518 1.00 0.00 C ATOM 893 CG PHE A 59 2.814 7.295 4.517 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.820 8.174 4.118 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.898 6.948 5.856 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.928 8.697 5.036 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.009 7.467 6.779 1.00 0.00 C ATOM 898 CZ PHE A 59 1.023 8.342 6.368 1.00 0.00 C ATOM 0 H PHE A 59 3.919 4.004 4.198 1.00 0.00 H new ATOM 0 HA PHE A 59 2.322 5.670 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.723 6.509 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.992 7.482 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.741 8.454 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.667 6.264 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.158 9.382 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.086 7.189 7.820 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.327 8.748 7.087 1.00 0.00 H new ATOM 908 N VAL A 60 3.909 5.222 0.501 1.00 0.00 N ATOM 909 CA VAL A 60 4.769 4.844 -0.613 1.00 0.00 C ATOM 910 C VAL A 60 5.000 6.022 -1.553 1.00 0.00 C ATOM 911 O VAL A 60 4.051 6.604 -2.079 1.00 0.00 O ATOM 912 CB VAL A 60 4.169 3.673 -1.413 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.048 3.336 -2.608 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.983 2.457 -0.518 1.00 0.00 C ATOM 0 H VAL A 60 3.026 5.651 0.225 1.00 0.00 H new ATOM 0 HA VAL A 60 5.722 4.532 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 60 3.190 3.975 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.608 2.506 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.125 4.206 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.042 3.054 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.558 1.639 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.948 2.152 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.309 2.708 0.301 1.00 0.00 H new ATOM 924 N ARG A 61 6.267 6.366 -1.761 1.00 0.00 N ATOM 925 CA ARG A 61 6.622 7.476 -2.638 1.00 0.00 C ATOM 926 C ARG A 61 6.732 7.010 -4.087 1.00 0.00 C ATOM 927 O ARG A 61 6.948 5.828 -4.355 1.00 0.00 O ATOM 928 CB ARG A 61 7.944 8.103 -2.191 1.00 0.00 C ATOM 929 CG ARG A 61 7.860 8.810 -0.849 1.00 0.00 C ATOM 930 CD ARG A 61 9.041 9.744 -0.636 1.00 0.00 C ATOM 931 NE ARG A 61 9.125 10.215 0.744 1.00 0.00 N ATOM 932 CZ ARG A 61 10.228 10.724 1.281 1.00 0.00 C ATOM 933 NH1 ARG A 61 11.334 10.828 0.558 1.00 0.00 N ATOM 934 NH2 ARG A 61 10.226 11.132 2.544 1.00 0.00 N ATOM 0 H ARG A 61 7.064 5.893 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 61 5.832 8.225 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.705 7.324 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.272 8.816 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.931 9.378 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.830 8.071 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.964 9.227 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.952 10.599 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 61 8.291 10.149 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.339 10.517 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.180 11.219 0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.377 11.055 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.074 11.523 2.955 1.00 0.00 H new ATOM 948 N PHE A 62 6.580 7.947 -5.017 1.00 0.00 N ATOM 949 CA PHE A 62 6.660 7.632 -6.439 1.00 0.00 C ATOM 950 C PHE A 62 7.473 8.687 -7.184 1.00 0.00 C ATOM 951 O PHE A 62 7.452 9.867 -6.832 1.00 0.00 O ATOM 952 CB PHE A 62 5.257 7.535 -7.041 1.00 0.00 C ATOM 953 CG PHE A 62 4.492 6.325 -6.585 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.143 6.171 -5.253 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.122 5.342 -7.489 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.440 5.059 -4.831 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.418 4.228 -7.073 1.00 0.00 C ATOM 958 CZ PHE A 62 3.076 4.086 -5.742 1.00 0.00 C ATOM 0 H PHE A 62 6.401 8.930 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 62 7.161 6.670 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.695 8.431 -6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.337 7.516 -8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.424 6.929 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.387 5.448 -8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.175 4.950 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.135 3.469 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.525 3.217 -5.414 1.00 0.00 H new ATOM 968 N HIS A 63 8.191 8.253 -8.215 1.00 0.00 N ATOM 969 CA HIS A 63 9.012 9.159 -9.011 1.00 0.00 C ATOM 970 C HIS A 63 8.144 10.180 -9.740 1.00 0.00 C ATOM 971 O HIS A 63 8.348 11.387 -9.612 1.00 0.00 O ATOM 972 CB HIS A 63 9.848 8.370 -10.019 1.00 0.00 C ATOM 973 CG HIS A 63 11.004 7.646 -9.402 1.00 0.00 C ATOM 974 ND1 HIS A 63 12.034 8.289 -8.750 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.289 6.324 -9.339 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.903 7.395 -8.314 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.474 6.195 -8.658 1.00 0.00 N ATOM 0 H HIS A 63 8.221 7.280 -8.519 1.00 0.00 H new ATOM 0 HA HIS A 63 9.680 9.693 -8.335 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.206 7.649 -10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.223 9.053 -10.781 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.695 5.520 -9.748 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.810 7.609 -7.769 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.946 5.315 -8.451 1.00 0.00 H new ATOM 985 N ASP A 64 7.176 9.687 -10.505 1.00 0.00 N ATOM 986 CA ASP A 64 6.276 10.557 -11.254 1.00 0.00 C ATOM 987 C ASP A 64 4.928 10.679 -10.552 1.00 0.00 C ATOM 988 O ASP A 64 4.689 10.036 -9.529 1.00 0.00 O ATOM 989 CB ASP A 64 6.079 10.021 -12.673 1.00 0.00 C ATOM 990 CG ASP A 64 5.773 11.121 -13.670 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.070 12.295 -13.367 1.00 0.00 O ATOM 992 OD2 ASP A 64 5.236 10.808 -14.754 1.00 0.00 O ATOM 0 H ASP A 64 6.994 8.690 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 64 6.728 11.547 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.978 9.491 -12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.265 9.296 -12.675 1.00 0.00 H new ATOM 997 N ARG A 65 4.050 11.509 -11.106 1.00 0.00 N ATOM 998 CA ARG A 65 2.727 11.717 -10.531 1.00 0.00 C ATOM 999 C ARG A 65 1.726 10.710 -11.091 1.00 0.00 C ATOM 1000 O ARG A 65 1.074 9.985 -10.340 1.00 0.00 O ATOM 1001 CB ARG A 65 2.244 13.141 -10.812 1.00 0.00 C ATOM 1002 CG ARG A 65 3.221 14.215 -10.361 1.00 0.00 C ATOM 1003 CD ARG A 65 2.719 15.607 -10.711 1.00 0.00 C ATOM 1004 NE ARG A 65 2.616 15.805 -12.155 1.00 0.00 N ATOM 1005 CZ ARG A 65 2.284 16.962 -12.716 1.00 0.00 C ATOM 1006 NH1 ARG A 65 2.026 18.020 -11.959 1.00 0.00 N ATOM 1007 NH2 ARG A 65 2.211 17.064 -14.037 1.00 0.00 N ATOM 0 H ARG A 65 4.231 12.048 -11.953 1.00 0.00 H new ATOM 0 HA ARG A 65 2.800 11.571 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.065 13.251 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.289 13.297 -10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.372 14.142 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.190 14.048 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.743 15.766 -10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.394 16.352 -10.290 1.00 0.00 H new ATOM 0 HE ARG A 65 2.810 15.011 -12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.082 17.946 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.771 18.907 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.410 16.253 -14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.956 17.953 -14.467 1.00 0.00 H new ATOM 1021 N ARG A 66 1.610 10.672 -12.415 1.00 0.00 N ATOM 1022 CA ARG A 66 0.688 9.756 -13.075 1.00 0.00 C ATOM 1023 C ARG A 66 0.878 8.331 -12.563 1.00 0.00 C ATOM 1024 O ARG A 66 -0.073 7.688 -12.118 1.00 0.00 O ATOM 1025 CB ARG A 66 0.893 9.797 -14.590 1.00 0.00 C ATOM 1026 CG ARG A 66 0.083 10.879 -15.285 1.00 0.00 C ATOM 1027 CD ARG A 66 0.826 12.206 -15.302 1.00 0.00 C ATOM 1028 NE ARG A 66 1.722 12.317 -16.450 1.00 0.00 N ATOM 1029 CZ ARG A 66 2.420 13.411 -16.734 1.00 0.00 C ATOM 1030 NH1 ARG A 66 2.327 14.481 -15.958 1.00 0.00 N ATOM 1031 NH2 ARG A 66 3.215 13.435 -17.797 1.00 0.00 N ATOM 0 H ARG A 66 2.143 11.265 -13.051 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.329 10.074 -12.844 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.951 9.955 -14.801 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.625 8.828 -15.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.137 10.571 -16.307 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.873 11.002 -14.777 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.106 13.024 -15.324 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.401 12.311 -14.382 1.00 0.00 H new ATOM 0 HE ARG A 66 1.817 11.511 -17.067 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.718 14.466 -15.140 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.864 15.319 -16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.290 12.613 -18.396 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.751 14.275 -18.014 1.00 0.00 H new ATOM 1045 N ASP A 67 2.112 7.843 -12.631 1.00 0.00 N ATOM 1046 CA ASP A 67 2.428 6.495 -12.174 1.00 0.00 C ATOM 1047 C ASP A 67 1.665 6.161 -10.896 1.00 0.00 C ATOM 1048 O ASP A 67 1.034 5.110 -10.795 1.00 0.00 O ATOM 1049 CB ASP A 67 3.932 6.353 -11.936 1.00 0.00 C ATOM 1050 CG ASP A 67 4.686 5.985 -13.199 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.798 4.776 -13.492 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.164 6.906 -13.895 1.00 0.00 O ATOM 0 H ASP A 67 2.910 8.361 -12.998 1.00 0.00 H new ATOM 0 HA ASP A 67 2.123 5.794 -12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.325 7.290 -11.542 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.106 5.590 -11.177 1.00 0.00 H new ATOM 1057 N ALA A 68 1.728 7.064 -9.922 1.00 0.00 N ATOM 1058 CA ALA A 68 1.043 6.866 -8.651 1.00 0.00 C ATOM 1059 C ALA A 68 -0.454 6.661 -8.861 1.00 0.00 C ATOM 1060 O ALA A 68 -1.026 5.678 -8.392 1.00 0.00 O ATOM 1061 CB ALA A 68 1.291 8.049 -7.728 1.00 0.00 C ATOM 0 H ALA A 68 2.247 7.940 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 68 1.445 5.966 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.773 7.888 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.361 8.149 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.917 8.960 -8.195 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.081 7.596 -9.568 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.512 7.518 -9.837 1.00 0.00 C ATOM 1069 C GLN A 69 -2.873 6.181 -10.475 1.00 0.00 C ATOM 1070 O GLN A 69 -3.652 5.406 -9.918 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.943 8.666 -10.752 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.356 9.921 -9.999 1.00 0.00 C ATOM 1073 CD GLN A 69 -2.169 10.759 -9.568 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -1.430 10.387 -8.656 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -1.980 11.899 -10.223 1.00 0.00 N ATOM 0 H GLN A 69 -0.621 8.416 -9.964 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.040 7.601 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.122 8.910 -11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.776 8.333 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.009 10.522 -10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.935 9.639 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.617 12.168 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.198 12.505 -9.977 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.304 5.916 -11.646 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.565 4.672 -12.359 1.00 0.00 C ATOM 1086 C ASP A 70 -2.520 3.480 -11.408 1.00 0.00 C ATOM 1087 O ASP A 70 -3.389 2.610 -11.445 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.548 4.481 -13.485 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.952 5.197 -14.759 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.738 6.164 -14.671 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.484 4.791 -15.843 1.00 0.00 O ATOM 0 H ASP A 70 -1.659 6.547 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.565 4.732 -12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.575 4.849 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.434 3.417 -13.691 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.499 3.447 -10.558 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.340 2.362 -9.597 1.00 0.00 C ATOM 1098 C ALA A 71 -2.566 2.242 -8.698 1.00 0.00 C ATOM 1099 O ALA A 71 -3.242 1.214 -8.690 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.088 2.578 -8.760 1.00 0.00 C ATOM 0 H ALA A 71 -0.770 4.159 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.236 1.430 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.018 1.761 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.785 2.607 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.169 3.522 -8.221 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.845 3.299 -7.941 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.989 3.309 -7.037 1.00 0.00 C ATOM 1108 C GLU A 72 -5.293 3.123 -7.807 1.00 0.00 C ATOM 1109 O GLU A 72 -6.009 2.142 -7.609 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.032 4.620 -6.248 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.068 4.628 -5.136 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.467 4.917 -5.644 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.590 5.506 -6.739 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.438 4.557 -4.947 1.00 0.00 O ATOM 0 H GLU A 72 -2.295 4.158 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.877 2.478 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.048 4.808 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.242 5.440 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.061 3.662 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.793 5.377 -4.394 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.594 4.073 -8.687 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.810 4.014 -9.488 1.00 0.00 C ATOM 1123 C ALA A 73 -7.123 2.581 -9.906 1.00 0.00 C ATOM 1124 O ALA A 73 -8.282 2.225 -10.115 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.679 4.907 -10.713 1.00 0.00 C ATOM 0 H ALA A 73 -5.012 4.892 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.637 4.375 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.594 4.853 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.511 5.936 -10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.837 4.572 -11.319 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.082 1.764 -10.027 1.00 0.00 N ATOM 1132 CA ALA A 74 -6.246 0.370 -10.419 1.00 0.00 C ATOM 1133 C ALA A 74 -6.387 -0.531 -9.197 1.00 0.00 C ATOM 1134 O ALA A 74 -7.470 -1.040 -8.911 1.00 0.00 O ATOM 1135 CB ALA A 74 -5.072 -0.079 -11.276 1.00 0.00 C ATOM 0 H ALA A 74 -5.116 2.044 -9.859 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.161 0.288 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.208 -1.122 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.019 0.539 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.147 0.024 -10.709 1.00 0.00 H new ATOM 1141 N MET A 75 -5.285 -0.724 -8.480 1.00 0.00 N ATOM 1142 CA MET A 75 -5.287 -1.564 -7.288 1.00 0.00 C ATOM 1143 C MET A 75 -6.531 -1.307 -6.444 1.00 0.00 C ATOM 1144 O MET A 75 -7.380 -2.185 -6.290 1.00 0.00 O ATOM 1145 CB MET A 75 -4.029 -1.307 -6.455 1.00 0.00 C ATOM 1146 CG MET A 75 -2.864 -2.212 -6.819 1.00 0.00 C ATOM 1147 SD MET A 75 -3.279 -3.963 -6.693 1.00 0.00 S ATOM 1148 CE MET A 75 -1.698 -4.652 -6.211 1.00 0.00 C ATOM 0 H MET A 75 -4.380 -0.310 -8.703 1.00 0.00 H new ATOM 0 HA MET A 75 -5.296 -2.606 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.725 -0.268 -6.582 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.268 -1.442 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.542 -1.991 -7.837 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.021 -1.994 -6.163 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.584 -5.643 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.896 -4.004 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.650 -4.729 -5.125 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.632 -0.099 -5.899 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.774 0.273 -5.071 1.00 0.00 C ATOM 1160 C ASP A 76 -9.047 -0.408 -5.563 1.00 0.00 C ATOM 1161 O ASP A 76 -9.533 -0.123 -6.656 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.959 1.791 -5.074 1.00 0.00 C ATOM 1163 CG ASP A 76 -8.775 2.273 -6.257 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -8.393 1.964 -7.406 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.795 2.958 -6.035 1.00 0.00 O ATOM 0 H ASP A 76 -5.937 0.639 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.577 -0.060 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.450 2.096 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.982 2.273 -5.090 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.581 -1.312 -4.747 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.792 -2.021 -5.117 1.00 0.00 C ATOM 1172 C GLY A 77 -10.505 -3.346 -5.796 1.00 0.00 C ATOM 1173 O GLY A 77 -11.097 -3.664 -6.826 1.00 0.00 O ATOM 0 H GLY A 77 -9.197 -1.566 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.393 -2.196 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.386 -1.396 -5.784 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.590 -4.118 -5.219 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.225 -5.415 -5.775 1.00 0.00 C ATOM 1179 C ALA A 78 -9.424 -6.527 -4.750 1.00 0.00 C ATOM 1180 O ALA A 78 -9.914 -6.287 -3.647 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.784 -5.394 -6.261 1.00 0.00 C ATOM 0 H ALA A 78 -9.088 -3.868 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.880 -5.617 -6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.525 -6.369 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.671 -4.632 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.122 -5.166 -5.426 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.041 -7.745 -5.123 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.179 -8.893 -4.235 1.00 0.00 C ATOM 1189 C GLU A 79 -7.811 -9.438 -3.834 1.00 0.00 C ATOM 1190 O GLU A 79 -7.175 -10.172 -4.591 1.00 0.00 O ATOM 1191 CB GLU A 79 -9.999 -9.993 -4.912 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.429 -11.102 -3.966 1.00 0.00 C ATOM 1193 CD GLU A 79 -10.995 -12.305 -4.696 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -11.779 -12.105 -5.648 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -10.654 -13.444 -4.316 1.00 0.00 O ATOM 0 H GLU A 79 -8.633 -7.961 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.698 -8.564 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.886 -9.548 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.412 -10.425 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.574 -11.415 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.178 -10.715 -3.275 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.363 -9.073 -2.637 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.071 -9.523 -2.134 1.00 0.00 C ATOM 1204 C LEU A 80 -6.142 -9.820 -0.639 1.00 0.00 C ATOM 1205 O LEU A 80 -6.801 -9.104 0.115 1.00 0.00 O ATOM 1206 CB LEU A 80 -4.999 -8.467 -2.405 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.702 -8.173 -3.876 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -3.690 -7.046 -4.002 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.199 -9.426 -4.579 1.00 0.00 C ATOM 0 H LEU A 80 -7.876 -8.467 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.806 -10.442 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.303 -7.538 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.074 -8.786 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.627 -7.857 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.492 -6.851 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.089 -6.145 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.763 -7.332 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.993 -9.198 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.285 -9.772 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.958 -10.206 -4.520 1.00 0.00 H new ATOM 1221 N ASP A 81 -5.457 -10.878 -0.218 1.00 0.00 N ATOM 1222 CA ASP A 81 -5.440 -11.267 1.187 1.00 0.00 C ATOM 1223 C ASP A 81 -6.847 -11.596 1.677 1.00 0.00 C ATOM 1224 O ASP A 81 -7.147 -11.471 2.864 1.00 0.00 O ATOM 1225 CB ASP A 81 -4.837 -10.150 2.041 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.516 -10.608 3.450 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.489 -11.295 3.631 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.291 -10.277 4.371 1.00 0.00 O ATOM 0 H ASP A 81 -4.907 -11.481 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.823 -12.160 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.927 -9.783 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.534 -9.313 2.084 1.00 0.00 H new ATOM 1233 N GLY A 82 -7.707 -12.016 0.754 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.072 -12.355 1.112 1.00 0.00 C ATOM 1235 C GLY A 82 -9.883 -11.140 1.518 1.00 0.00 C ATOM 1236 O GLY A 82 -11.031 -11.267 1.944 1.00 0.00 O ATOM 0 H GLY A 82 -7.483 -12.127 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.555 -12.845 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.062 -13.072 1.933 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.285 -9.961 1.388 1.00 0.00 N ATOM 1241 CA ARG A 83 -9.959 -8.719 1.748 1.00 0.00 C ATOM 1242 C ARG A 83 -9.742 -7.653 0.678 1.00 0.00 C ATOM 1243 O ARG A 83 -8.974 -7.852 -0.263 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.452 -8.211 3.099 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.219 -8.770 4.287 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.231 -7.793 5.452 1.00 0.00 C ATOM 1247 NE ARG A 83 -10.423 -8.469 6.732 1.00 0.00 N ATOM 1248 CZ ARG A 83 -10.440 -7.839 7.901 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -10.276 -6.524 7.951 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -10.620 -8.524 9.023 1.00 0.00 N ATOM 0 H ARG A 83 -8.335 -9.839 1.036 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.027 -8.923 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.398 -8.470 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.516 -7.123 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.243 -8.994 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.767 -9.710 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.292 -7.241 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.027 -7.063 5.305 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.551 -9.481 6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.136 -5.994 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.289 -6.042 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.745 -9.536 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.633 -8.039 9.920 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.424 -6.522 0.830 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.306 -5.425 -0.124 1.00 0.00 C ATOM 1266 C GLU A 84 -9.289 -4.394 0.355 1.00 0.00 C ATOM 1267 O GLU A 84 -9.599 -3.538 1.185 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.666 -4.756 -0.336 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.668 -3.722 -1.450 1.00 0.00 C ATOM 1270 CD GLU A 84 -11.201 -2.358 -0.980 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -11.686 -1.894 0.073 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -10.349 -1.755 -1.666 1.00 0.00 O ATOM 0 H GLU A 84 -11.063 -6.341 1.604 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.960 -5.837 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.407 -5.522 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.975 -4.277 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.023 -4.064 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.675 -3.636 -1.859 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.073 -4.482 -0.173 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.008 -3.557 0.201 1.00 0.00 C ATOM 1281 C LEU A 85 -7.427 -2.113 -0.054 1.00 0.00 C ATOM 1282 O LEU A 85 -7.791 -1.750 -1.173 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.732 -3.875 -0.580 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.054 -5.205 -0.246 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.811 -5.400 -1.100 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.703 -5.267 1.233 1.00 0.00 C ATOM 0 H LEU A 85 -7.800 -5.184 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.814 -3.677 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.970 -3.868 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.015 -3.072 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.752 -6.013 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.342 -6.351 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.090 -5.400 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.109 -4.588 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.222 -6.220 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.023 -4.451 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.612 -5.174 1.827 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.371 -1.293 0.990 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.744 0.113 0.879 1.00 0.00 C ATOM 1300 C ARG A 86 -6.569 0.949 0.379 1.00 0.00 C ATOM 1301 O ARG A 86 -5.833 1.538 1.170 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.224 0.643 2.231 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.619 0.175 2.609 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.326 1.188 3.496 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.463 0.600 4.200 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.481 1.310 4.673 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.505 2.626 4.517 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.478 0.703 5.303 1.00 0.00 N ATOM 0 H ARG A 86 -7.071 -1.577 1.922 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.557 0.192 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.523 0.329 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.209 1.733 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.206 0.009 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.555 -0.782 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.619 1.590 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.670 2.025 2.888 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.476 -0.411 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.740 3.096 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.288 3.169 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.463 -0.310 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.259 1.249 5.666 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.400 0.995 -0.938 1.00 0.00 N ATOM 1323 CA VAL A 87 -5.315 1.759 -1.543 1.00 0.00 C ATOM 1324 C VAL A 87 -5.817 3.095 -2.079 1.00 0.00 C ATOM 1325 O VAL A 87 -6.579 3.141 -3.044 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.649 0.976 -2.690 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -3.265 1.534 -2.984 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.575 -0.505 -2.351 1.00 0.00 C ATOM 0 H VAL A 87 -7.000 0.512 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.578 1.938 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.258 1.090 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.810 0.968 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.349 2.582 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.643 1.453 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.102 -1.043 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.989 -0.641 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.581 -0.893 -2.195 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.383 4.180 -1.446 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.788 5.518 -1.860 1.00 0.00 C ATOM 1340 C GLN A 88 -4.628 6.501 -1.739 1.00 0.00 C ATOM 1341 O GLN A 88 -3.521 6.125 -1.352 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.969 6.000 -1.016 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.598 6.325 0.422 1.00 0.00 C ATOM 1344 CD GLN A 88 -7.754 6.128 1.382 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.137 4.998 1.687 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.316 7.229 1.866 1.00 0.00 N ATOM 0 H GLN A 88 -4.752 4.159 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.092 5.470 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.399 6.887 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.743 5.233 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.764 5.694 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.255 7.358 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.966 8.145 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.097 7.159 2.518 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.888 7.760 -2.074 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.865 8.797 -2.002 1.00 0.00 C ATOM 1357 C VAL A 89 -3.867 9.478 -0.638 1.00 0.00 C ATOM 1358 O VAL A 89 -4.922 9.691 -0.041 1.00 0.00 O ATOM 1359 CB VAL A 89 -4.069 9.863 -3.096 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.939 10.881 -3.067 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -4.173 9.208 -4.465 1.00 0.00 C ATOM 0 H VAL A 89 -5.798 8.087 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.905 8.306 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.004 10.388 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.100 11.626 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.917 11.373 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.989 10.375 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.317 9.975 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.257 8.656 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.020 8.522 -4.477 1.00 0.00 H new ATOM 1371 N ALA A 90 -2.678 9.817 -0.151 1.00 0.00 N ATOM 1372 CA ALA A 90 -2.543 10.476 1.142 1.00 0.00 C ATOM 1373 C ALA A 90 -2.679 11.989 1.005 1.00 0.00 C ATOM 1374 O ALA A 90 -2.232 12.575 0.019 1.00 0.00 O ATOM 1375 CB ALA A 90 -1.207 10.121 1.778 1.00 0.00 C ATOM 0 H ALA A 90 -1.795 9.646 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.347 10.122 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.119 10.620 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.147 9.042 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.396 10.446 1.126 1.00 0.00 H new ATOM 1381 N ARG A 91 -3.301 12.615 1.999 1.00 0.00 N ATOM 1382 CA ARG A 91 -3.498 14.059 1.987 1.00 0.00 C ATOM 1383 C ARG A 91 -3.665 14.597 3.405 1.00 0.00 C ATOM 1384 O ARG A 91 -3.969 13.846 4.332 1.00 0.00 O ATOM 1385 CB ARG A 91 -4.723 14.422 1.145 1.00 0.00 C ATOM 1386 CG ARG A 91 -6.043 14.052 1.801 1.00 0.00 C ATOM 1387 CD ARG A 91 -6.452 12.626 1.467 1.00 0.00 C ATOM 1388 NE ARG A 91 -7.681 12.234 2.151 1.00 0.00 N ATOM 1389 CZ ARG A 91 -8.415 11.184 1.799 1.00 0.00 C ATOM 1390 NH1 ARG A 91 -8.045 10.425 0.776 1.00 0.00 N ATOM 1391 NH2 ARG A 91 -9.521 10.891 2.471 1.00 0.00 N ATOM 0 H ARG A 91 -3.677 12.145 2.822 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.613 14.517 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.713 15.494 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.653 13.919 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.957 14.163 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.820 14.741 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.591 12.532 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.649 11.944 1.746 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.993 12.797 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.195 10.647 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.610 9.619 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.808 11.472 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.084 10.085 2.200 1.00 0.00 H new ATOM 1405 N TYR A 92 -3.462 15.900 3.566 1.00 0.00 N ATOM 1406 CA TYR A 92 -3.587 16.537 4.871 1.00 0.00 C ATOM 1407 C TYR A 92 -4.677 17.605 4.854 1.00 0.00 C ATOM 1408 O TYR A 92 -5.540 17.643 5.730 1.00 0.00 O ATOM 1409 CB TYR A 92 -2.254 17.160 5.288 1.00 0.00 C ATOM 1410 CG TYR A 92 -2.208 17.579 6.740 1.00 0.00 C ATOM 1411 CD1 TYR A 92 -2.894 18.704 7.181 1.00 0.00 C ATOM 1412 CD2 TYR A 92 -1.479 16.850 7.671 1.00 0.00 C ATOM 1413 CE1 TYR A 92 -2.855 19.091 8.506 1.00 0.00 C ATOM 1414 CE2 TYR A 92 -1.435 17.228 8.999 1.00 0.00 C ATOM 1415 CZ TYR A 92 -2.125 18.349 9.412 1.00 0.00 C ATOM 1416 OH TYR A 92 -2.083 18.730 10.733 1.00 0.00 O ATOM 0 H TYR A 92 -3.210 16.535 2.809 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.865 15.771 5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.454 16.444 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.058 18.030 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.468 19.286 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.937 15.972 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.393 19.969 8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.864 16.649 9.710 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.527 18.100 11.238 1.00 0.00 H new ATOM 1426 N GLY A 93 -4.630 18.473 3.848 1.00 0.00 N ATOM 1427 CA GLY A 93 -5.617 19.530 3.733 1.00 0.00 C ATOM 1428 C GLY A 93 -5.083 20.747 3.003 1.00 0.00 C ATOM 1429 O GLY A 93 -4.357 21.556 3.581 1.00 0.00 O ATOM 0 H GLY A 93 -3.926 18.463 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.492 19.150 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.947 19.824 4.729 1.00 0.00 H new ATOM 1433 N ARG A 94 -5.441 20.875 1.730 1.00 0.00 N ATOM 1434 CA ARG A 94 -4.989 22.000 0.919 1.00 0.00 C ATOM 1435 C ARG A 94 -5.216 23.321 1.649 1.00 0.00 C ATOM 1436 O ARG A 94 -4.278 24.086 1.875 1.00 0.00 O ATOM 1437 CB ARG A 94 -5.721 22.015 -0.424 1.00 0.00 C ATOM 1438 CG ARG A 94 -4.960 22.735 -1.525 1.00 0.00 C ATOM 1439 CD ARG A 94 -5.197 24.236 -1.476 1.00 0.00 C ATOM 1440 NE ARG A 94 -4.302 24.901 -0.533 1.00 0.00 N ATOM 1441 CZ ARG A 94 -3.059 25.264 -0.831 1.00 0.00 C ATOM 1442 NH1 ARG A 94 -2.568 25.027 -2.039 1.00 0.00 N ATOM 1443 NH2 ARG A 94 -2.306 25.865 0.081 1.00 0.00 N ATOM 0 H ARG A 94 -6.042 20.214 1.238 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.920 21.881 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.910 20.988 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.692 22.492 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.894 22.530 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.270 22.348 -2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.054 24.658 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.231 24.431 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.650 25.098 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.145 24.565 -2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.614 25.307 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.681 26.049 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.352 26.143 -0.148 1.00 0.00 H new ATOM 1457 N ARG A 95 -6.467 23.582 2.013 1.00 0.00 N ATOM 1458 CA ARG A 95 -6.818 24.811 2.715 1.00 0.00 C ATOM 1459 C ARG A 95 -7.412 24.504 4.087 1.00 0.00 C ATOM 1460 O ARG A 95 -8.348 23.713 4.206 1.00 0.00 O ATOM 1461 CB ARG A 95 -7.812 25.630 1.889 1.00 0.00 C ATOM 1462 CG ARG A 95 -7.707 27.129 2.120 1.00 0.00 C ATOM 1463 CD ARG A 95 -8.116 27.913 0.883 1.00 0.00 C ATOM 1464 NE ARG A 95 -7.046 27.966 -0.110 1.00 0.00 N ATOM 1465 CZ ARG A 95 -5.933 28.673 0.046 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -5.743 29.382 1.151 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -5.005 28.671 -0.902 1.00 0.00 N ATOM 0 H ARG A 95 -7.255 22.959 1.834 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.906 25.392 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.651 25.422 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.825 25.304 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.341 27.414 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.683 27.385 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.000 27.455 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.393 28.927 1.172 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.160 27.430 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.453 29.385 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.887 29.924 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.146 28.126 -1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.151 29.215 -0.780 1.00 0.00 H new ATOM 1481 N ASP A 96 -6.861 25.133 5.119 1.00 0.00 N ATOM 1482 CA ASP A 96 -7.336 24.927 6.482 1.00 0.00 C ATOM 1483 C ASP A 96 -8.309 26.029 6.890 1.00 0.00 C ATOM 1484 O ASP A 96 -9.519 25.810 6.956 1.00 0.00 O ATOM 1485 CB ASP A 96 -6.156 24.885 7.455 1.00 0.00 C ATOM 1486 CG ASP A 96 -5.427 23.556 7.423 1.00 0.00 C ATOM 1487 OD1 ASP A 96 -6.101 22.512 7.303 1.00 0.00 O ATOM 1488 OD2 ASP A 96 -4.182 23.561 7.517 1.00 0.00 O ATOM 0 H ASP A 96 -6.085 25.790 5.038 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.860 23.972 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.458 25.685 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.516 25.075 8.466 1.00 0.00 H new ATOM 1493 N LEU A 97 -7.772 27.213 7.165 1.00 0.00 N ATOM 1494 CA LEU A 97 -8.593 28.350 7.568 1.00 0.00 C ATOM 1495 C LEU A 97 -9.164 29.068 6.350 1.00 0.00 C ATOM 1496 O LEU A 97 -8.424 29.487 5.460 1.00 0.00 O ATOM 1497 CB LEU A 97 -7.769 29.326 8.410 1.00 0.00 C ATOM 1498 CG LEU A 97 -6.472 29.830 7.775 1.00 0.00 C ATOM 1499 CD1 LEU A 97 -6.139 31.226 8.280 1.00 0.00 C ATOM 1500 CD2 LEU A 97 -5.328 28.870 8.063 1.00 0.00 C ATOM 0 H LEU A 97 -6.773 27.411 7.116 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.423 27.974 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.393 30.188 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.523 28.842 9.355 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.614 29.880 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.213 31.569 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.948 31.909 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.017 31.202 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.414 29.245 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.185 28.787 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.564 27.889 7.652 1.00 0.00 H new ATOM 1512 N SER A 98 -10.486 29.208 6.318 1.00 0.00 N ATOM 1513 CA SER A 98 -11.157 29.875 5.209 1.00 0.00 C ATOM 1514 C SER A 98 -10.521 31.232 4.925 1.00 0.00 C ATOM 1515 O SER A 98 -9.981 31.463 3.844 1.00 0.00 O ATOM 1516 CB SER A 98 -12.645 30.051 5.517 1.00 0.00 C ATOM 1517 OG SER A 98 -13.382 28.897 5.153 1.00 0.00 O ATOM 0 H SER A 98 -11.113 28.868 7.047 1.00 0.00 H new ATOM 0 HA SER A 98 -11.048 29.250 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.778 30.251 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.031 30.917 4.979 1.00 0.00 H new ATOM 0 HG SER A 98 -14.330 29.035 5.362 1.00 0.00 H new ATOM 1523 N GLY A 99 -10.588 32.127 5.906 1.00 0.00 N ATOM 1524 CA GLY A 99 -10.015 33.450 5.743 1.00 0.00 C ATOM 1525 C GLY A 99 -10.956 34.549 6.196 1.00 0.00 C ATOM 1526 O GLY A 99 -12.178 34.405 6.158 1.00 0.00 O ATOM 0 H GLY A 99 -11.029 31.959 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.087 33.513 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.758 33.605 4.695 1.00 0.00 H new ATOM 1530 N PRO A 100 -10.383 35.678 6.641 1.00 0.00 N ATOM 1531 CA PRO A 100 -11.161 36.827 7.113 1.00 0.00 C ATOM 1532 C PRO A 100 -11.750 37.640 5.965 1.00 0.00 C ATOM 1533 O PRO A 100 -12.941 37.951 5.960 1.00 0.00 O ATOM 1534 CB PRO A 100 -10.132 37.658 7.884 1.00 0.00 C ATOM 1535 CG PRO A 100 -8.826 37.331 7.247 1.00 0.00 C ATOM 1536 CD PRO A 100 -8.932 35.919 6.715 1.00 0.00 C ATOM 0 HA PRO A 100 -12.018 36.521 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.351 38.723 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.131 37.402 8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.605 38.031 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.014 37.410 7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.461 35.824 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.441 35.205 7.376 1.00 0.00 H new ATOM 1544 N SER A 101 -10.908 37.981 4.995 1.00 0.00 N ATOM 1545 CA SER A 101 -11.346 38.761 3.843 1.00 0.00 C ATOM 1546 C SER A 101 -12.458 38.039 3.089 1.00 0.00 C ATOM 1547 O SER A 101 -13.559 38.566 2.930 1.00 0.00 O ATOM 1548 CB SER A 101 -10.168 39.028 2.904 1.00 0.00 C ATOM 1549 OG SER A 101 -10.432 40.132 2.055 1.00 0.00 O ATOM 0 H SER A 101 -9.919 37.730 4.984 1.00 0.00 H new ATOM 0 HA SER A 101 -11.735 39.712 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.269 39.222 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.971 38.141 2.302 1.00 0.00 H new ATOM 0 HG SER A 101 -9.663 40.283 1.466 1.00 0.00 H new ATOM 1555 N SER A 102 -12.162 36.829 2.626 1.00 0.00 N ATOM 1556 CA SER A 102 -13.134 36.035 1.884 1.00 0.00 C ATOM 1557 C SER A 102 -13.787 36.865 0.783 1.00 0.00 C ATOM 1558 O SER A 102 -14.995 36.783 0.562 1.00 0.00 O ATOM 1559 CB SER A 102 -14.205 35.489 2.831 1.00 0.00 C ATOM 1560 OG SER A 102 -13.648 34.577 3.761 1.00 0.00 O ATOM 0 H SER A 102 -11.256 36.377 2.752 1.00 0.00 H new ATOM 0 HA SER A 102 -12.608 35.200 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.677 36.314 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.986 34.993 2.254 1.00 0.00 H new ATOM 0 HG SER A 102 -13.198 35.073 4.477 1.00 0.00 H new ATOM 1566 N GLY A 103 -12.978 37.664 0.095 1.00 0.00 N ATOM 1567 CA GLY A 103 -13.494 38.498 -0.975 1.00 0.00 C ATOM 1568 C GLY A 103 -12.603 39.691 -1.262 1.00 0.00 C ATOM 1569 O GLY A 103 -11.472 39.532 -1.721 1.00 0.00 O ATOM 0 H GLY A 103 -11.975 37.749 0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.597 37.900 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.491 38.849 -0.709 1.00 0.00 H new TER 1573 GLY A 103